A0A3Q0KPK4_SCHMA Loading...

Nucleolar protein 6

AlphaFold DB , UniProt , Accession A0A3Q0KPK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 812 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
1M62Low87.4Confident176 Ų17631.2 Ų31.287%0.86715%0.153SC*.  0151.70-81.9-165.4-153.300109.8F6M1-F6 HydrophobicContact SD-CD2 4.06Å
2D83.7Confident88Confident50 Ų5028.6 Ų28.627%0.26714%0.14SC..  trans-68.9130.8172.1-175.7-10.3000111.3V4 Y5 F6 R586D2-V4 VanDerWaalsContact C-N 3.26Å; D2-V4 PolarHBondContact O-N 3.01Å; D2-V4 PolarHBondContact OD1-N 3.38Å; D2-Y5 HydrophobicContact CB-CD2 3.62Å; D2-Y5 HydrophobicContact CB-CE2 4.26Å; D2-Y5 HydrophobicContact CB-CG 4.46Å; D2-Y5 PolarHBondContact O-N 3.49Å; D2-Y5 VanDerWaalsContact O-N 3.08Å; D2-Y5 WeakPolarHBondContact OD2-CD2 3.08Å; D2-Y5 WeakPolarHBondContact OD2-CE2 3.12Å; D2-F6 PolarHBondContact O-N 2.87Å; D2-R586 VanDerWaalsContact CG-NH2 3.29Å; D2-R586 IonicContact OD1-CZ 2.93Å; D2-R586 IonicContact OD1-NE 3.78Å; D2-R586 IonicContact OD1-NH2 3.09Å; D2-R586 PolarHBondContact OD1-NH2 3.1Å; D2-R586 IonicContact OD2-CZ 3.92Å; D2-R586 VanDerWaalsContact OD2-CZ 3.26Å; D2-R586 IonicContact OD2-NE 2.91Å; D2-R586 PolarHBondContact OD2-NE 3.16Å; D2-R586 IonicContact OD2-NH2 2.65Å; D2-R586 PolarHBondContact OD2-NH2 3.11Å; D2-R586 VanDerWaalsContact OD2-NH2 3.08Å
3C86.2Confident88.2Confident19 Ų1926.8 Ų26.813%0.12813%0.131CC..Hα-helixtrans-59.4-35.4-173.3-62.80000112.8Y5 F6 Y7 L10 R63 V64C3-Y5 PolarHBondContact O-N 3.18Å; C3-F6 PolarHBondContact O-N 2.68Å; C3-Y7 HydrophobicContact CB-CD2 4.05Å; C3-Y7 HydrophobicContact CB-CE2 4.35Å; C3-Y7 WeakPolarHBondContact O-CD2 3.49Å; C3-Y7 PolarHBondContact O-N 2.78Å; C3-L10 HydrophobicContact CB-CD1 4.47Å; C3-L10 HydrophobicContact CB-CD2 4.19Å; C3-R63 PolarHBondContact SG-O 3.04Å; C3-V64 HydrophobicContact CB-CG2 4.34Å
4V89.1Confident88Confident5 Ų531.4 Ų31.43%0.0315%0.152CC..Hα-helixtrans-67-27.1-179.1-1770000112D2 L10 L159 L499 V590D2-V4 VanDerWaalsContact C-N 3.26Å; D2-V4 PolarHBondContact O-N 3.01Å; D2-V4 PolarHBondContact OD1-N 3.38Å; V4-L10 HydrophobicContact CG2-CD1 4.1Å; V4-L159 HydrophobicContact CG1-CD2 4.19Å; V4-L159 HydrophobicContact CG2-CD2 4.47Å; V4-L499 HydrophobicContact CG1-CD1 3.65Å; V4-V590 HydrophobicContact CG2-CG2 3.58Å
5Y88.8Confident87.6Confident28 Ų2836.8 Ų36.811%0.1118%0.175CC..Hα-helixtrans-89.7-15.9-179-71.5-99.6000113.1D2 C3 L499 R500 R582D2-Y5 HydrophobicContact CB-CD2 3.62Å; D2-Y5 HydrophobicContact CB-CE2 4.26Å; D2-Y5 HydrophobicContact CB-CG 4.46Å; D2-Y5 PolarHBondContact O-N 3.49Å; D2-Y5 VanDerWaalsContact O-N 3.08Å; D2-Y5 WeakPolarHBondContact OD2-CD2 3.08Å; D2-Y5 WeakPolarHBondContact OD2-CE2 3.12Å; C3-Y5 PolarHBondContact O-N 3.18Å; Y5-L499 HydrophobicContact CD1-CB 4.35Å; Y5-L499 HydrophobicContact CE1-CB 3.65Å; Y5-R500 HydrophobicContact CD1-CG 3.61Å; Y5-R500 HydrophobicContact CE1-CG 4.02Å; Y5-R500 PolarHBondContact O-NH2 2.58Å; Y5-R582 WeakPolarHBondContact OH-CG 3.28Å
6F88.1Confident87.3Confident29 Ų2935.4 Ų35.413%0.12717%0.169CC..Hα-helixtrans-102.4-55.6-176.6-174-101.5000111M1 D2 C3 L58 K78 T489M1-F6 HydrophobicContact SD-CD2 4.06Å; D2-F6 PolarHBondContact O-N 2.87Å; C3-F6 PolarHBondContact O-N 2.68Å; F6-L58 HydrophobicContact CE1-CD2 4.15Å; F6-K78 HydrophobicContact CE1-CG 4.49Å; F6-K78 WeakPolarHBondContact O-CE 3.38Å; F6-K78 PolarHBondContact O-NZ 3.14Å; F6-T489 HydrophobicContact CE2-CG2 3.82Å; F6-T489 WeakPolarHBondContact CE2-OG1 3.44Å; F6-T489 HydrophobicContact CZ-CG2 3.6Å
7Y90.7Very high87.2Confident28 Ų2839.9 Ų39.911%0.1119%0.194CC..  trans-81.1144.8-173.2-63.6-77.2000112.6C3 L10 L58 C60 V62 G76 K78C3-Y7 HydrophobicContact CB-CD2 4.05Å; C3-Y7 HydrophobicContact CB-CE2 4.35Å; C3-Y7 WeakPolarHBondContact O-CD2 3.49Å; C3-Y7 PolarHBondContact O-N 2.78Å; Y7-L10 HydrophobicContact CD2-CD2 4Å; Y7-L10 HydrophobicContact CG-CD2 4.22Å; Y7-L58 HydrophobicContact CE1-CD2 3.92Å; Y7-C60 HydrophobicContact CE1-CB 4.3Å; Y7-V62 HydrophobicContact CD2-CG1 3.96Å; Y7-V62 HydrophobicContact CE2-CB 4.48Å; Y7-V62 HydrophobicContact CE2-CG1 3.23Å; Y7-G76 VanDerWaalsContact CG-CA 3.43Å; Y7-K78 HydrophobicContact CD1-CG 4.36Å
8D90.3Very high87Confident5 Ų541.8 Ų41.83%0.02720%0.199CC..SBendtrans-81.7-32.6-178.7-54-43.8000111.5L77 K78 Y79 P161 G492 S493D8-L77 PolarHBondContact N-O 3.4Å; D8-K78 IonicContact OD1-NZ 2.89Å; D8-K78 WeakPolarHBondContact OD2-CA 3.27Å; D8-K78 VanDerWaalsContact OD2-CD 3.26Å; D8-K78 WeakPolarHBondContact OD2-CD 3.33Å; D8-Y79 HydrophobicContact CB-CD2 4.15Å; D8-Y79 HydrophobicContact CB-CG 4.09Å; D8-Y79 PolarHBondContact OD2-N 3.26Å; D8-P161 VanDerWaalsContact O-CD 3.26Å; D8-P161 WeakPolarHBondContact O-CD 3.42Å; D8-G492 VanDerWaalsContact OD1-C 3.28Å; D8-G492 WeakPolarHBondContact OD1-CA 3.37Å; D8-G492 PolarHBondContact OD1-N 2.77Å; D8-S493 PolarHBondContact OD1-N 3.13Å; D8-S493 VanDerWaalsContact OD1-N 3.08Å
9H92.8Very high86.8Confident0 Ų039.6 Ų39.60%019%0.189CC..EExtended strand (participates in β ladder)trans-136.1125.8177.2175.2-169.4000109.6L77 Y79 I136 H158 L159 L160H9-L77 HydrophobicContact CB-CB 4.14Å; H9-L77 PolarHBondContact N-O 2.86Å; H9-L77 PolarHBondContact O-N 2.97Å; H9-Y79 HydrophobicContact CB-CE1 3.62Å; H9-Y79 HydrophobicContact CB-CE2 4.43Å; H9-Y79 WeakPolarHBondContact CB-OH 3.33Å; H9-Y79 AromaticContact ND1-CE1 3.91Å; H9-Y79 AromaticContact ND1-CZ 3.85Å; H9-Y79 PolarHBondContact ND1-OH 3.15Å; H9-I136 VanDerWaalsContact CE1-CD1 3.42Å; H9-I136 WeakPolarHBondContact CE1-CD1 3.42Å; H9-H158 AromaticContact CE1-ND1 3.47Å; H9-H158 PolarHBondContact CE1-ND1 3.35Å; H9-H158 WeakPolarHBondContact NE2-CB 3.27Å; H9-H158 AromaticContact NE2-CG 3.52Å; H9-H158 AromaticContact NE2-ND1 2.93Å; H9-H158 PolarHBondContact NE2-ND1 3.31Å; H9-L159 WeakPolarHBondContact CA-O 3.38Å; H9-L159 PolarHBondContact CD2-O 2.85Å; H9-L160 VanDerWaalsContact NE2-CD2 3.34Å; H9-L160 WeakPolarHBondContact NE2-CD2 3.48Å
10L94.8Very high86.5Confident3 Ų339.1 Ų39.12%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-109.8133.5173.8-71.2160000110.3C3 V4 Y7 I12 V62 L75 H158 L159C3-L10 HydrophobicContact CB-CD1 4.47Å; C3-L10 HydrophobicContact CB-CD2 4.19Å; V4-L10 HydrophobicContact CG2-CD1 4.1Å; Y7-L10 HydrophobicContact CD2-CD2 4Å; Y7-L10 HydrophobicContact CG-CD2 4.22Å; L10-I12 HydrophobicContact CB-CG1 4.32Å; L10-V62 HydrophobicContact CD2-CG2 3.84Å; L10-L75 WeakPolarHBondContact CA-O 3.22Å; L10-H158 CarbonylContact O-C 3.59Å; L10-H158 WeakPolarHBondContact O-CA 3.27Å; L10-L159 HydrophobicContact CB-CB 4.18Å; L10-L159 HydrophobicContact CD1-CD2 4.02Å; L10-L159 PolarHBondContact N-O 3.28Å; L10-L159 PolarHBondContact O-N 3.01Å
11V95.1Very high86.3Confident0 Ų040.4 Ų40.40%020%0.199CC..EExtended strand (participates in β ladder)trans-107112.3169.6-173.80000106.8F13 G74 L75 L77 I136 L140 W156V11-F13 HydrophobicContact CG1-CE1 4.3Å; V11-F13 HydrophobicContact CG1-CZ 4.23Å; V11-G74 CarbonylContact O-C 3.55Å; V11-G74 WeakPolarHBondContact O-CA 3.32Å; V11-L75 HydrophobicContact CB-CB 4.35Å; V11-L75 PolarHBondContact N-O 2.86Å; V11-L75 PolarHBondContact O-N 2.79Å; V11-L77 HydrophobicContact CG2-CD1 3.82Å; V11-I136 HydrophobicContact CG1-CG2 4.31Å; V11-I136 HydrophobicContact CG2-CD1 3.69Å; V11-I136 HydrophobicContact CG2-CG2 4.08Å; V11-L140 HydrophobicContact CG1-CD1 4.2Å; V11-W156 HydrophobicContact CG1-CB 4.26Å; V11-W156 HydrophobicContact CG1-CG 4.37Å
12I93.9Very high87.2Confident0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-110.9129.4-174.5-56.4174.8000109.4L10 V64 L72 W156 Y157L10-I12 HydrophobicContact CB-CG1 4.32Å; I12-V64 HydrophobicContact CD1-CG1 4.47Å; I12-V64 HydrophobicContact CD1-CG2 4.29Å; I12-V64 HydrophobicContact CG1-CG2 4.37Å; I12-L72 HydrophobicContact CG2-CB 3.74Å; I12-L72 HydrophobicContact CG2-CD1 3.84Å; I12-L72 HydrophobicContact CG2-CG 4.4Å; I12-W156 CarbonylContact O-C 3.56Å; I12-W156 WeakPolarHBondContact O-CA 3.26Å; I12-W156 WeakPolarHBondContact O-CB 3.34Å; I12-Y157 HydrophobicContact CB-CD2 4.43Å; I12-Y157 HydrophobicContact CB-CE1 3.9Å; I12-Y157 HydrophobicContact CB-CE2 3.79Å; I12-Y157 VanDerWaalsContact CB-CZ 3.48Å; I12-Y157 WeakPolarHBondContact CB-OH 3.46Å; I12-Y157 HydrophobicContact CD1-CE2 3.78Å; I12-Y157 HydrophobicContact CG1-CE2 4.19Å; I12-Y157 HydrophobicContact CG2-CE1 3.93Å; I12-Y157 HydrophobicContact CG2-CE2 4.4Å; I12-Y157 WeakPolarHBondContact CG2-OH 3.41Å; I12-Y157 PolarHBondContact N-O 3.13Å; I12-Y157 PolarHBondContact O-N 3.02Å
13F90.8Very high87Confident5 Ų532.2 Ų32.22%0.02216%0.157CC..EExtended strand (participates in β ladder)trans-93.2116.7-179.3-59.4-67.4000110.3V11 I16 I19 L41 H73 L75 L140 P155 W156V11-F13 HydrophobicContact CG1-CE1 4.3Å; V11-F13 HydrophobicContact CG1-CZ 4.23Å; F13-I16 HydrophobicContact CB-CD1 4.26Å; F13-I16 HydrophobicContact CD2-CD1 4.21Å; F13-I16 HydrophobicContact CG-CD1 4.34Å; F13-I19 HydrophobicContact CB-CD1 4.03Å; F13-I19 HydrophobicContact CD1-CD1 3.07Å; F13-I19 HydrophobicContact CE1-CD1 3.64Å; F13-I19 HydrophobicContact CG-CD1 3.76Å; F13-L41 HydrophobicContact CD2-CD2 3.6Å; F13-L41 HydrophobicContact CE2-CD2 3.37Å; F13-L41 HydrophobicContact CZ-CD2 4.47Å; F13-H73 WeakPolarHBondContact CB-O 3.3Å; F13-H73 PolarHBondContact N-O 2.7Å; F13-L75 HydrophobicContact CE2-CD1 3.96Å; F13-L75 HydrophobicContact CE2-CG 3.99Å; F13-L75 HydrophobicContact CZ-CD1 3.91Å; F13-L75 HydrophobicContact CZ-CG 4.43Å; F13-L140 HydrophobicContact CE1-CD1 4.03Å; F13-L140 HydrophobicContact CZ-CD1 4.45Å; F13-P155 CarbonylContact C-O 3.54Å; F13-W156 HydrophobicContact CD1-CB 3.64Å; F13-W156 HydrophobicContact CE1-CB 3.93Å
14Q85.2Confident86.4Confident92 Ų9236.1 Ų36.143%0.4317%0.172SC..SBendtrans-75.9-29.5177.1-68.6-176.2-28.300112.5P155 Y157Q14-P155 PolarHBondContact N-O 3.16Å; Q14-Y157 HydrophobicContact CG-CD1 3.64Å; Q14-Y157 HydrophobicContact CG-CE1 3.48Å; Q14-Y157 VanDerWaalsContact CG-CE1 3.48Å
15K82.1Confident85.5Confident112 Ų11242 Ų4249%0.48720%0.203SC..  trans-134.373.4-176.7-63.1-176.5180-179.50109.7D17 Y18 I19 P155K15-D17 VanDerWaalsContact C-N 3.29Å; K15-D17 PolarHBondContact O-N 3.27Å; K15-Y18 WeakPolarHBondContact O-CB 3.46Å; K15-Y18 PolarHBondContact O-N 2.93Å; K15-I19 PolarHBondContact O-N 3.14Å; K15-P155 HydrophobicContact CB-CB 4.46Å
16I83.9Confident84.3Confident15 Ų1544.4 Ų44.48%0.07722%0.215CC..Hα-helixtrans-60.9-39.7-178-169.762.4000111.7F13 Y18 I19 E20 N37 L41 H73F13-I16 HydrophobicContact CB-CD1 4.26Å; F13-I16 HydrophobicContact CD2-CD1 4.21Å; F13-I16 HydrophobicContact CG-CD1 4.34Å; I16-Y18 PolarHBondContact O-N 3.38Å; I16-I19 WeakPolarHBondContact O-CA 3.45Å; I16-I19 WeakPolarHBondContact O-CB 3.36Å; I16-I19 PolarHBondContact O-N 3.23Å; I16-E20 PolarHBondContact O-N 2.85Å; I16-N37 HydrophobicContact CG1-CB 4.49Å; I16-L41 HydrophobicContact CD1-CD2 4.01Å; I16-L41 HydrophobicContact CD1-CG 4.33Å; I16-H73 HydrophobicContact CB-CB 4.26Å; I16-H73 HydrophobicContact CD1-CB 4.26Å; I16-H73 HydrophobicContact CG1-CB 4.11Å
17D84.1Confident83.1Confident112 Ų11245.1 Ų45.160%0.59922%0.222SC*.Hα-helixtrans-59.1-34.9179-46.4-27000112.5K15 S21K15-D17 VanDerWaalsContact C-N 3.29Å; K15-D17 PolarHBondContact O-N 3.27Å; D17-S21 WeakPolarHBondContact O-CB 3.49Å; D17-S21 PolarHBondContact O-N 3.49Å
18Y84.1Confident81.4Confident73 Ų7352.9 Ų52.929%0.28626%0.259SS..Hα-helixtrans-69.1-38.9176.1173-100.3000112.1K15 I16 K22 F146 P155K15-Y18 WeakPolarHBondContact O-CB 3.46Å; K15-Y18 PolarHBondContact O-N 2.93Å; I16-Y18 PolarHBondContact O-N 3.38Å; Y18-K22 HydrophobicContact CE1-CD 3.91Å; Y18-K22 HydrophobicContact CE2-CD 4.48Å; Y18-K22 PolarHBondContact O-N 3.2Å; Y18-K22 VanDerWaalsContact O-N 3.14Å; Y18-K22 WeakPolarHBondContact OH-CE 3.28Å; Y18-K22 PolarHBondContact OH-NZ 3.01Å; Y18-F146 WeakPolarHBondContact CE1-O 3.37Å; Y18-P155 HydrophobicContact CD1-CB 4.17Å; Y18-P155 HydrophobicContact CD1-CG 4.15Å; Y18-P155 HydrophobicContact CE1-CG 4.11Å
19I82.7Confident79.6Confident1 Ų156.5 Ų56.51%0.00530%0.297CS..Hα-helixtrans-69.1-42.8178.9-68.1175.2000109.9F13 K15 I16 K22 L23 T40 F146 P155F13-I19 HydrophobicContact CB-CD1 4.03Å; F13-I19 HydrophobicContact CD1-CD1 3.07Å; F13-I19 HydrophobicContact CE1-CD1 3.64Å; F13-I19 HydrophobicContact CG-CD1 3.76Å; K15-I19 PolarHBondContact O-N 3.14Å; I16-I19 WeakPolarHBondContact O-CA 3.45Å; I16-I19 WeakPolarHBondContact O-CB 3.36Å; I16-I19 PolarHBondContact O-N 3.23Å; I19-K22 PolarHBondContact O-N 3.32Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 PolarHBondContact O-N 3.27Å; I19-T40 HydrophobicContact CG2-CG2 3.99Å; I19-F146 HydrophobicContact CG1-CD2 4.37Å; I19-F146 HydrophobicContact CG2-CD2 3.92Å; I19-F146 HydrophobicContact CG2-CE1 4.11Å; I19-F146 HydrophobicContact CG2-CE2 3.46Å; I19-F146 VanDerWaalsContact CG2-CE2 3.46Å; I19-F146 HydrophobicContact CG2-CG 4.43Å; I19-F146 HydrophobicContact CG2-CZ 3.56Å; I19-P155 HydrophobicContact CD1-CB 4.45Å
20E82.1Confident77.7Confident28 Ų2862.7 Ų62.713%0.13133%0.326CS..Hα-helixtrans-57.4-49.8174-173.7-164.9154.500111.2I16 K22 L23 K24 L32 A36 N37I16-E20 PolarHBondContact O-N 2.85Å; E20-K22 VanDerWaalsContact C-N 3.29Å; E20-K22 PolarHBondContact O-N 3.48Å; E20-L23 PolarHBondContact O-N 3.07Å; E20-K24 WeakPolarHBondContact O-CG 3.5Å; E20-K24 PolarHBondContact O-N 2.94Å; E20-K24 WeakPolarHBondContact OE1-CE 3.42Å; E20-K24 IonicContact OE1-NZ 2.68Å; E20-K24 PolarHBondContact OE1-NZ 2.9Å; E20-L32 HydrophobicContact CG-CD1 4.24Å; E20-A36 HydrophobicContact CG-CB 4.37Å; E20-A36 WeakPolarHBondContact OE1-CB 3.06Å; E20-N37 PolarHBondContact OE2-OD1 3.04Å
21S81.6Confident75.7Confident67 Ų6770.5 Ų70.547%0.46937%0.368SS..Hα-helixtrans-59.5-38.3179176.50000112.7D17 N25D17-S21 WeakPolarHBondContact O-CB 3.49Å; D17-S21 PolarHBondContact O-N 3.49Å; S21-N25 PolarHBondContact O-ND2 3Å
22K80.2Confident73.8Confident51 Ų5171.1 Ų71.122%0.22237%0.371CS..Hα-helixtrans-69.8-42.3175.7-84.7-166.5161.4-179.80112.5Y18 I19 E20 K24 N25 E26 H145 F146 S147Y18-K22 HydrophobicContact CE1-CD 3.91Å; Y18-K22 HydrophobicContact CE2-CD 4.48Å; Y18-K22 PolarHBondContact O-N 3.2Å; Y18-K22 VanDerWaalsContact O-N 3.14Å; Y18-K22 WeakPolarHBondContact OH-CE 3.28Å; Y18-K22 PolarHBondContact OH-NZ 3.01Å; I19-K22 PolarHBondContact O-N 3.32Å; E20-K22 VanDerWaalsContact C-N 3.29Å; E20-K22 PolarHBondContact O-N 3.48Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K22-K24 PolarHBondContact O-N 3.24Å; K22-N25 WeakPolarHBondContact O-CB 3.48Å; K22-N25 PolarHBondContact O-N 3.43Å; K22-N25 VanDerWaalsContact O-N 3.13Å; K22-E26 PolarHBondContact O-N 3.12Å; K22-H145 PolarHBondContact NZ-O 3.39Å; K22-F146 HydrophobicContact CB-CD1 3.92Å; K22-F146 HydrophobicContact CB-CE1 4.01Å; K22-F146 HydrophobicContact CD-CD1 4.18Å; K22-S147 PolarHBondContact NZ-O 3.14Å
23L79.7Confident72Confident3 Ų373.4 Ų73.42%0.01640%0.395CS..Hα-helixtrans-65.1-37.5-179.5-168.371.2000111.8I19 E20 N25 E26 V27 T40 I43 L144 F146I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 PolarHBondContact O-N 3.27Å; E20-L23 PolarHBondContact O-N 3.07Å; L23-N25 PolarHBondContact O-N 2.91Å; L23-E26 PolarHBondContact O-N 3.28Å; L23-E26 VanDerWaalsContact O-N 3.12Å; L23-V27 HydrophobicContact CD1-CG2 3.98Å; L23-V27 HydrophobicContact CG-CG2 4.02Å; L23-V27 PolarHBondContact O-N 3.41Å; L23-T40 HydrophobicContact CD2-CG2 3.86Å; L23-I43 HydrophobicContact CD1-CG2 4.29Å; L23-I43 HydrophobicContact CD2-CB 4.06Å; L23-I43 HydrophobicContact CD2-CD1 3.88Å; L23-I43 HydrophobicContact CD2-CG2 4.05Å; L23-L144 HydrophobicContact CD1-CD2 4.42Å; L23-F146 HydrophobicContact CB-CE1 4.46Å; L23-F146 HydrophobicContact CB-CZ 4.44Å; L23-F146 HydrophobicContact CD1-CZ 4.25Å
24K74.8Confident70.2Confident102 Ų10285 Ų8544%0.44344%0.44SS..Hα-helixtrans-57.3-33.3173.2-75.2-178.6-176.4171.70113.2E20 K22 L32E20-K24 WeakPolarHBondContact O-CG 3.5Å; E20-K24 PolarHBondContact O-N 2.94Å; E20-K24 WeakPolarHBondContact OE1-CE 3.42Å; E20-K24 IonicContact OE1-NZ 2.68Å; E20-K24 PolarHBondContact OE1-NZ 2.9Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K22-K24 PolarHBondContact O-N 3.24Å; K24-L32 HydrophobicContact CD-CD1 4.24Å; K24-L32 HydrophobicContact CG-CD1 3.53Å
25N68.8Low69.2Low129 Ų12986.3 Ų86.369%0.6945%0.447SS*.Hα-helixtrans-77.7-27.6179.3-65.7-20.8000112.5S21 K22 L23S21-N25 PolarHBondContact O-ND2 3Å; K22-N25 WeakPolarHBondContact O-CB 3.48Å; K22-N25 PolarHBondContact O-N 3.43Å; K22-N25 VanDerWaalsContact O-N 3.13Å; L23-N25 PolarHBondContact O-N 2.91Å
26E65.1Low68.5Low77 Ų7781.8 Ų81.836%0.3643%0.43SS..Hα-helixtrans-86.3-41.1178.9-70.5-169.7161.300112.7K22 L23 Q28 L144 H145K22-E26 PolarHBondContact O-N 3.12Å; L23-E26 PolarHBondContact O-N 3.28Å; L23-E26 VanDerWaalsContact O-N 3.12Å; E26-Q28 PolarHBondContact O-N 3.32Å; E26-Q28 VanDerWaalsContact O-N 3.15Å; E26-L144 VanDerWaalsContact OE1-C 3.28Å; E26-L144 WeakPolarHBondContact OE2-CA 3.48Å; E26-L144 WeakPolarHBondContact OE2-CD2 3.49Å; E26-H145 IonicContact OE1-CD2 3.56Å
27V62.8Low68Low45 Ų4583 Ų8327%0.27344%0.437SS..SBendtrans-8783.2178.9-1710000108.5L23 G29 Q30L23-V27 HydrophobicContact CD1-CG2 3.98Å; L23-V27 HydrophobicContact CG-CG2 4.02Å; L23-V27 PolarHBondContact O-N 3.41Å; V27-G29 PolarHBondContact O-N 3.45Å; V27-Q30 HydrophobicContact CG1-CB 3.98Å; V27-Q30 HydrophobicContact CG1-CG 4.18Å
28Q54Low67.7Low190 Ų19080.6 Ų80.689%0.88842%0.422SS*.THydrogen-bonded Turntrans-50100177.7-66.2178.5-4.400111.7E26E26-Q28 PolarHBondContact O-N 3.32Å; E26-Q28 VanDerWaalsContact O-N 3.15Å
29G52.7Low67.5Low81 Ų8179.9 Ų79.984%0.83542%0.423SS*.THydrogen-bonded Turntrans89.313.2161.900000118.3V27 D31V27-G29 PolarHBondContact O-N 3.45Å; G29-D31 PolarHBondContact O-N 3.31Å
30Q52.4Low67.5Low130 Ų13079.9 Ų79.961%0.60742%0.423SS*.  trans-85.5108.9162.6-80.4-175.3-1500109.8V27 L32V27-Q30 HydrophobicContact CG1-CB 3.98Å; V27-Q30 HydrophobicContact CG1-CG 4.18Å; Q30-L32 PolarHBondContact O-N 3.2Å; Q30-L32 VanDerWaalsContact O-N 3.14Å
31D53.4Low67.8Low167 Ų16778.8 Ų78.889%0.89342%0.418SS*.  trans-65.7111.3173-149.5-1.7000108.5G29 G33G29-D31 PolarHBondContact O-N 3.31Å; D31-G33 PolarHBondContact O-N 3.42Å
32L54.7Low68.1Low13 Ų1378.9 Ų78.97%0.06841%0.413CS..  trans-70.92.7-171.1-78.9170.9000113.8E20 K24 Q30 A36 N39 I43E20-L32 HydrophobicContact CG-CD1 4.24Å; K24-L32 HydrophobicContact CD-CD1 4.24Å; K24-L32 HydrophobicContact CG-CD1 3.53Å; Q30-L32 PolarHBondContact O-N 3.2Å; Q30-L32 VanDerWaalsContact O-N 3.14Å; L32-A36 HydrophobicContact CB-CB 4.06Å; L32-N39 HydrophobicContact CD2-CB 3.66Å; L32-N39 PolarHBondContact O-ND2 3.45Å; L32-I43 HydrophobicContact CD2-CD1 3.94Å
33G56.2Low68.4Low48 Ų4878.5 Ų78.550%0.49541%0.413SS..  trans62.5-173.3173.100000115D31 Q35D31-G33 PolarHBondContact O-N 3.42Å; G33-Q35 PolarHBondContact O-N 2.67Å
34Y54.4Low69Low248 Ų24878.4 Ų78.497%0.97341%0.413SS*.THydrogen-bonded Turntrans-65.2-15.9-176.8-78.8-85.7000114.6
35Q62.4Low69.8Low121 Ų12174 Ų7457%0.56540%0.395SS*.THydrogen-bonded Turntrans-11650.1-179.5-68.6-176.4-32.100111.9G33 N37 E38 N39G33-Q35 PolarHBondContact O-N 2.67Å; Q35-N37 VanDerWaalsContact C-N 3.29Å; Q35-N37 PolarHBondContact O-N 3.21Å; Q35-N37 VanDerWaalsContact O-N 3.16Å; Q35-E38 HydrophobicContact CB-CB 4.43Å; Q35-E38 PolarHBondContact O-N 3.4Å; Q35-E38 PolarHBondContact OE1-OE2 2.9Å; Q35-N39 PolarHBondContact O-N 3.42Å; Q35-N39 VanDerWaalsContact O-N 3.14Å
36A68.2Low70.9Confident17 Ų1774.5 Ų74.514%0.1439%0.393CS..Hα-helixtrans-56-37.6-170.200000114.7E20 L32 N39 T40E20-A36 HydrophobicContact CG-CB 4.37Å; E20-A36 WeakPolarHBondContact OE1-CB 3.06Å; L32-A36 HydrophobicContact CB-CB 4.06Å; A36-N39 PolarHBondContact O-N 3.01Å; A36-T40 WeakPolarHBondContact O-CB 3.34Å; A36-T40 PolarHBondContact O-N 2.92Å; A36-T40 PolarHBondContact O-OG1 2.98Å
37N72.6Confident72.1Confident41 Ų4172.2 Ų72.222%0.21938%0.383CS..Hα-helixtrans-61.7-42.4175.5-78.1-16.3000112.9I16 E20 Q35 L41I16-N37 HydrophobicContact CG1-CB 4.49Å; E20-N37 PolarHBondContact OE2-OD1 3.04Å; Q35-N37 VanDerWaalsContact C-N 3.29Å; Q35-N37 PolarHBondContact O-N 3.21Å; Q35-N37 VanDerWaalsContact O-N 3.16Å; N37-L41 VanDerWaalsContact O-CG 3.27Å; N37-L41 WeakPolarHBondContact O-CG 3.45Å; N37-L41 PolarHBondContact O-N 3.25Å
38E77.6Confident73.6Confident61 Ų6170 Ų7029%0.28537%0.37SS..Hα-helixtrans-71.7-39.9-179-66.9-173.8167.200110.9Q35 T40 L41 N42 R63Q35-E38 HydrophobicContact CB-CB 4.43Å; Q35-E38 PolarHBondContact O-N 3.4Å; Q35-E38 PolarHBondContact OE1-OE2 2.9Å; E38-T40 PolarHBondContact O-N 3.45Å; E38-L41 PolarHBondContact O-N 2.93Å; E38-N42 WeakPolarHBondContact O-CB 3.15Å; E38-N42 PolarHBondContact O-N 2.81Å; E38-N42 PolarHBondContact O-ND2 3.03Å; E38-R63 IonicContact OE1-CZ 3.65Å; E38-R63 IonicContact OE1-NE 3.93Å; E38-R63 IonicContact OE1-NH2 2.67Å; E38-R63 PolarHBondContact OE1-NH2 3.17Å
39N80.7Confident75.4Confident58 Ų5864.2 Ų64.231%0.3135%0.347SS..Hα-helixtrans-64.4-40.8175.8-72.2-21.8000112.2L32 Q35 A36 N42 I43L32-N39 HydrophobicContact CD2-CB 3.66Å; L32-N39 PolarHBondContact O-ND2 3.45Å; Q35-N39 PolarHBondContact O-N 3.42Å; Q35-N39 VanDerWaalsContact O-N 3.14Å; A36-N39 PolarHBondContact O-N 3.01Å; N39-N42 PolarHBondContact O-N 2.78Å; N39-I43 WeakPolarHBondContact O-CG1 3.3Å; N39-I43 PolarHBondContact O-N 3.43Å
40T83.3Confident77.2Confident0 Ų065.5 Ų65.50%033%0.332CS..Hα-helixtrans-60.8-46.7174-65.80000111.1I19 L23 A36 E38 N42 I43 V44I19-T40 HydrophobicContact CG2-CG2 3.99Å; L23-T40 HydrophobicContact CD2-CG2 3.86Å; A36-T40 WeakPolarHBondContact O-CB 3.34Å; A36-T40 PolarHBondContact O-N 2.92Å; A36-T40 PolarHBondContact O-OG1 2.98Å; E38-T40 PolarHBondContact O-N 3.45Å; T40-N42 VanDerWaalsContact C-N 3.33Å; T40-N42 PolarHBondContact O-N 3.09Å; T40-I43 PolarHBondContact O-N 2.73Å; T40-V44 VanDerWaalsContact O-CG2 3.3Å; T40-V44 WeakPolarHBondContact O-CG2 3.38Å; T40-V44 PolarHBondContact O-N 3.08Å; T40-V44 VanDerWaalsContact O-N 3.09Å
41L87.3Confident79.1Confident5 Ų559.4 Ų59.43%0.02630%0.303CS..Hα-helixtrans-64.6-37.1177.1-68.5172.5000112.3F13 I16 N37 E38 V44 S45 P61 H73 L75F13-L41 HydrophobicContact CD2-CD2 3.6Å; F13-L41 HydrophobicContact CE2-CD2 3.37Å; F13-L41 HydrophobicContact CZ-CD2 4.47Å; I16-L41 HydrophobicContact CD1-CD2 4.01Å; I16-L41 HydrophobicContact CD1-CG 4.33Å; N37-L41 VanDerWaalsContact O-CG 3.27Å; N37-L41 WeakPolarHBondContact O-CG 3.45Å; N37-L41 PolarHBondContact O-N 3.25Å; E38-L41 PolarHBondContact O-N 2.93Å; L41-V44 PolarHBondContact O-N 3.4Å; L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.42Å; L41-P61 HydrophobicContact CB-CB 3.86Å; L41-P61 HydrophobicContact CB-CG 3.93Å; L41-P61 HydrophobicContact CD1-CB 4.16Å; L41-H73 HydrophobicContact CD1-CB 4.17Å; L41-L75 HydrophobicContact CD2-CD2 4.47Å; L41-L75 HydrophobicContact CD2-CG 4.43Å
42N88.4Confident81Confident69 Ų6951.5 Ų51.537%0.36926%0.261SS..Hα-helixtrans-63-46.1177.1-75.5-28.4000111.9E38 N39 T40 S45 Q46 P61E38-N42 WeakPolarHBondContact O-CB 3.15Å; E38-N42 PolarHBondContact O-N 2.81Å; E38-N42 PolarHBondContact O-ND2 3.03Å; N39-N42 PolarHBondContact O-N 2.78Å; T40-N42 VanDerWaalsContact C-N 3.33Å; T40-N42 PolarHBondContact O-N 3.09Å; N42-S45 WeakPolarHBondContact O-CB 3.44Å; N42-S45 PolarHBondContact O-N 3.25Å; N42-Q46 WeakPolarHBondContact O-CG 3.1Å; N42-Q46 PolarHBondContact O-N 2.67Å; N42-P61 WeakPolarHBondContact OD1-CG 3.41Å
43I87.8Confident82.5Confident44 Ų4456 Ų5623%0.22628%0.28CS..Hα-helixtrans-61.2-47.4177.3-66.6164.2000110.3L23 L32 N39 T40 S45 Q46 L47L23-I43 HydrophobicContact CD1-CG2 4.29Å; L23-I43 HydrophobicContact CD2-CB 4.06Å; L23-I43 HydrophobicContact CD2-CD1 3.88Å; L23-I43 HydrophobicContact CD2-CG2 4.05Å; L32-I43 HydrophobicContact CD2-CD1 3.94Å; N39-I43 WeakPolarHBondContact O-CG1 3.3Å; N39-I43 PolarHBondContact O-N 3.43Å; T40-I43 PolarHBondContact O-N 2.73Å; I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.37Å; I43-Q46 PolarHBondContact O-N 3.45Å; I43-L47 PolarHBondContact O-N 3.01Å; I43-L47 VanDerWaalsContact O-N 3.08Å
44V90.7Very high84Confident1 Ų159 Ų591%0.00629%0.285CS..Hα-helixtrans-63.6-39.8177.6178.10000110.9T40 L41 L47 L48 L75 L140 L144 F146T40-V44 VanDerWaalsContact O-CG2 3.3Å; T40-V44 WeakPolarHBondContact O-CG2 3.38Å; T40-V44 PolarHBondContact O-N 3.08Å; T40-V44 VanDerWaalsContact O-N 3.09Å; L41-V44 PolarHBondContact O-N 3.4Å; V44-L47 PolarHBondContact O-N 3.18Å; V44-L48 HydrophobicContact CG1-CD1 4.15Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.43Å; V44-L48 WeakPolarHBondContact O-CG 3.41Å; V44-L48 PolarHBondContact O-N 2.99Å; V44-L75 HydrophobicContact CB-CD1 4.32Å; V44-L75 HydrophobicContact CG1-CD1 3.63Å; V44-L140 HydrophobicContact CG1-CD2 3.6Å; V44-L144 HydrophobicContact CG2-CD1 4.27Å; V44-F146 HydrophobicContact CG2-CE2 4.09Å; V44-F146 HydrophobicContact CG2-CZ 4.32Å
45S92.7Very high85.7Confident9 Ų947.8 Ų47.86%0.06324%0.241CC..Hα-helixtrans-62.2-44.7177.9-165.30000111.9L41 N42 I43 L48 T49 V59L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.42Å; N42-S45 WeakPolarHBondContact O-CB 3.44Å; N42-S45 PolarHBondContact O-N 3.25Å; I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.37Å; S45-L48 PolarHBondContact O-N 2.88Å; S45-T49 WeakPolarHBondContact O-CB 3.5Å; S45-T49 PolarHBondContact O-N 3.39Å; S45-T49 PolarHBondContact O-OG1 3.45Å; S45-V59 WeakPolarHBondContact OG-CG1 3.38Å; S45-V59 PolarHBondContact OG-O 3Å
46Q91Very high87Confident139 Ų13942.5 Ų42.565%0.6522%0.217SC*.Hα-helixtrans-61.5-47.1176.6-73.7174.5-3.300111.2N42 I43 L48 T49 E50N42-Q46 WeakPolarHBondContact O-CG 3.1Å; N42-Q46 PolarHBondContact O-N 2.67Å; I43-Q46 PolarHBondContact O-N 3.45Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 2.98Å; Q46-T49 WeakPolarHBondContact O-CB 3.49Å; Q46-T49 PolarHBondContact O-N 3.33Å; Q46-E50 PolarHBondContact O-N 3.02Å
47L91Very high88Confident29 Ų2945.5 Ų45.515%0.15224%0.237CC..Hα-helixtrans-63.2-39.5178.4-174.466.8000112.5I43 V44 E50 A51 F105 I139 L144I43-L47 PolarHBondContact O-N 3.01Å; I43-L47 VanDerWaalsContact O-N 3.08Å; V44-L47 PolarHBondContact O-N 3.18Å; L47-E50 PolarHBondContact O-N 3.04Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.48Å; L47-F105 HydrophobicContact CD1-CE2 3.81Å; L47-F105 HydrophobicContact CD1-CZ 4.11Å; L47-I139 HydrophobicContact CD2-CG2 3.5Å; L47-I139 VanDerWaalsContact CD2-CG2 3.5Å; L47-I139 HydrophobicContact CG-CG2 3.88Å; L47-L144 HydrophobicContact CD2-CD1 3.87Å; L47-L144 HydrophobicContact CD2-CD2 3.82Å; L47-L144 HydrophobicContact CD2-CG 3.92Å
48L93.8Very high88.8Confident0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-69.3-35175.5-73-176.4000112.3V44 S45 Q46 E50 A51 L52 V59 L75 I136 I139V44-L48 HydrophobicContact CG1-CD1 4.15Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.43Å; V44-L48 WeakPolarHBondContact O-CG 3.41Å; V44-L48 PolarHBondContact O-N 2.99Å; S45-L48 PolarHBondContact O-N 2.88Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 2.98Å; L48-E50 VanDerWaalsContact C-N 3.34Å; L48-A51 PolarHBondContact O-N 3.17Å; L48-L52 HydrophobicContact CB-CD1 4.37Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 2.8Å; L48-V59 HydrophobicContact CB-CG1 4.2Å; L48-L75 HydrophobicContact CD1-CD1 3.65Å; L48-I136 HydrophobicContact CD1-CG1 4.3Å; L48-I136 HydrophobicContact CD1-CG2 4.27Å; L48-I136 HydrophobicContact CD2-CB 4.32Å; L48-I136 HydrophobicContact CD2-CG1 4Å; L48-I136 HydrophobicContact CD2-CG2 4.26Å; L48-I139 HydrophobicContact CD2-CB 3.88Å; L48-I139 HydrophobicContact CD2-CG1 4.2Å; L48-I139 HydrophobicContact CD2-CG2 3.85Å
49T92.9Very high89.6Confident67 Ų6744.6 Ų44.641%0.41123%0.234SC..Hα-helixtrans-61.7-45.1174-56.10000110.2S45 Q46 A51 K53S45-T49 WeakPolarHBondContact O-CB 3.5Å; S45-T49 PolarHBondContact O-N 3.39Å; S45-T49 PolarHBondContact O-OG1 3.45Å; Q46-T49 WeakPolarHBondContact O-CB 3.49Å; Q46-T49 PolarHBondContact O-N 3.33Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 3.28Å; T49-K53 PolarHBondContact O-N 2.91Å
50E90.7Very high90.1Very high108 Ų10843.7 Ų43.751%0.50523%0.232SC..Hα-helixtrans-63-37.5175.2-167.9-170.9165.800112.7Q46 L47 L48 K53 F105Q46-E50 PolarHBondContact O-N 3.02Å; L47-E50 PolarHBondContact O-N 3.04Å; L48-E50 VanDerWaalsContact C-N 3.34Å; E50-K53 VanDerWaalsContact O-CE 3.3Å; E50-K53 WeakPolarHBondContact O-CE 3.25Å; E50-K53 WeakPolarHBondContact O-CG 3.17Å; E50-F105 VanDerWaalsContact CD-CE2 3.42Å; E50-F105 HydrophobicContact CG-CE2 4.06Å; E50-F105 HydrophobicContact CG-CZ 4.46Å; E50-F105 WeakPolarHBondContact OE1-CD2 3.43Å; E50-F105 WeakPolarHBondContact OE1-CE2 3.16Å
51A91.7Very high90.6Very high2 Ų245.5 Ų45.52%0.01724%0.244CC..Hα-helixtrans-75.2-38.3-179.800000113.5L47 L48 T49 F105 W106 I135 I139L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.48Å; L48-A51 PolarHBondContact O-N 3.17Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 3.28Å; A51-F105 HydrophobicContact CB-CE1 4.14Å; A51-F105 HydrophobicContact CB-CZ 3.99Å; A51-W106 HydrophobicContact CB-CH2 3.94Å; A51-W106 HydrophobicContact CB-CZ2 4.45Å; A51-I135 HydrophobicContact CB-CG2 3.94Å; A51-I139 HydrophobicContact CB-CD1 3.85Å; A51-I139 HydrophobicContact CB-CG1 3.78Å
52L92.1Very high90.8Very high2 Ų245.7 Ų45.71%0.0125%0.245CC..Hα-helixtrans-86.9-30.1-174.9-69.7164.2000112.6L48 D54 R55 V56 V59 L77 C132 I135 I136L48-L52 HydrophobicContact CB-CD1 4.37Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 2.8Å; L52-D54 PolarHBondContact O-N 2.96Å; L52-R55 VanDerWaalsContact O-CB 3.25Å; L52-R55 WeakPolarHBondContact O-CB 3.48Å; L52-R55 VanDerWaalsContact O-CG 3.25Å; L52-R55 WeakPolarHBondContact O-CG 3.35Å; L52-R55 PolarHBondContact O-N 2.89Å; L52-R55 VanDerWaalsContact O-N 3.08Å; L52-V56 HydrophobicContact CB-CG1 4.25Å; L52-V56 HydrophobicContact CB-CG2 3.52Å; L52-V56 HydrophobicContact CD1-CG1 4.07Å; L52-V56 HydrophobicContact CD1-CG2 3.95Å; L52-V56 HydrophobicContact CG-CG2 4.36Å; L52-V59 HydrophobicContact CD1-CG2 4.19Å; L52-L77 HydrophobicContact CD1-CD2 3.48Å; L52-L77 VanDerWaalsContact CD1-CD2 3.48Å; L52-C132 HydrophobicContact CD2-CB 4.09Å; L52-I135 HydrophobicContact CD2-CB 3.94Å; L52-I135 HydrophobicContact CD2-CD1 3.82Å; L52-I135 HydrophobicContact CD2-CG1 4.47Å; L52-I135 HydrophobicContact CD2-CG2 3.73Å; L52-I135 HydrophobicContact CG-CG2 4.12Å; L52-I136 HydrophobicContact CD1-CG1 4.38Å
53K87.7Confident90.9Very high107 Ų10749 Ų4947%0.46525%0.252SS..G310 helixtrans46.2-126.2178.2-54.5-172.4177-172.70111.5T49 E50 R55 V56T49-K53 PolarHBondContact O-N 2.91Å; E50-K53 VanDerWaalsContact O-CE 3.3Å; E50-K53 WeakPolarHBondContact O-CE 3.25Å; E50-K53 WeakPolarHBondContact O-CG 3.17Å; K53-R55 PolarHBondContact O-N 3.23Å; K53-V56 PolarHBondContact O-N 3.47Å; K53-V56 VanDerWaalsContact O-O 3.11Å
54D87.5Confident90.9Very high110 Ų11047 Ų4759%0.58824%0.242SC*.G310 helixtrans-68.91.3-174.8-45.6-44.8000114.6L52 I80 L83L52-D54 PolarHBondContact O-N 2.96Å; D54-I80 WeakPolarHBondContact O-CB 3.3Å; D54-I80 WeakPolarHBondContact O-CD1 3.1Å; D54-L83 HydrophobicContact CB-CD1 3.6Å
55R89.7Confident90.7Very high13 Ų1349.6 Ų49.65%0.04926%0.26CS..G310 helixtrans-79-25.5174.2-60.4178.2-179.9-85.62.3112.1L52 K53 I80 L83 T84 A86 L88 T89L52-R55 VanDerWaalsContact O-CB 3.25Å; L52-R55 WeakPolarHBondContact O-CB 3.48Å; L52-R55 VanDerWaalsContact O-CG 3.25Å; L52-R55 WeakPolarHBondContact O-CG 3.35Å; L52-R55 PolarHBondContact O-N 2.89Å; L52-R55 VanDerWaalsContact O-N 3.08Å; K53-R55 PolarHBondContact O-N 3.23Å; R55-I80 PolarHBondContact O-N 2.85Å; R55-L83 PolarHBondContact NH1-O 3.29Å; R55-T84 PolarHBondContact NH1-O 3.25Å; R55-T84 PolarHBondContact O-OG1 3.45Å; R55-T84 VanDerWaalsContact O-OG1 3.1Å; R55-A86 VanDerWaalsContact CZ-O 3.23Å; R55-A86 PolarHBondContact NH1-O 2.99Å; R55-A86 PolarHBondContact NH2-O 2.81Å; R55-L88 PolarHBondContact NH2-O 3.28Å; R55-T89 PolarHBondContact NH2-OG1 3.11Å
56V89.9Confident90.1Very high10 Ų1050.3 Ų50.36%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-135.1139.6-174.8-59.30000111.2L52 K53 V59 L77 K78 Y79 I80L52-V56 HydrophobicContact CB-CG1 4.25Å; L52-V56 HydrophobicContact CB-CG2 3.52Å; L52-V56 HydrophobicContact CD1-CG1 4.07Å; L52-V56 HydrophobicContact CD1-CG2 3.95Å; L52-V56 HydrophobicContact CG-CG2 4.36Å; K53-V56 PolarHBondContact O-N 3.47Å; K53-V56 VanDerWaalsContact O-O 3.11Å; V56-V59 HydrophobicContact CB-CG2 4.49Å; V56-V59 HydrophobicContact CG2-CG2 3.59Å; V56-L77 HydrophobicContact CG1-CD2 4.3Å; V56-K78 CarbonylContact C-O 3.57Å; V56-K78 WeakPolarHBondContact CA-O 3.3Å; V56-K78 WeakPolarHBondContact CB-O 3.43Å; V56-Y79 HydrophobicContact CG1-CD1 4.05Å; V56-Y79 HydrophobicContact CG1-CE1 4.45Å; V56-I80 VanDerWaalsContact O-CD1 3.3Å; V56-I80 WeakPolarHBondContact O-CD1 3.49Å
57S88.8Confident89.5Confident81 Ų8152.3 Ų52.357%0.56627%0.27SS*.EExtended strand (participates in β ladder)trans-89.6-23.2178.7540000111.9K78S57-K78 PolarHBondContact N-O 2.93Å; S57-K78 VanDerWaalsContact OG-CB 3.28Å; S57-K78 WeakPolarHBondContact OG-CB 3.37Å
58L90.6Very high88.8Confident68 Ų6855.2 Ų55.236%0.35631%0.307SS..EExtended strand (participates in β ladder)trans-147.6134-178.5-175.765000109.6F6 Y7 C60 L77 K78F6-L58 HydrophobicContact CE1-CD2 4.15Å; Y7-L58 HydrophobicContact CE1-CD2 3.92Å; L58-C60 HydrophobicContact CD1-CB 4.25Å; L58-C60 HydrophobicContact CD2-CB 4.37Å; L58-C60 HydrophobicContact CG-CB 4.12Å; L58-L77 VanDerWaalsContact O-CA 3.3Å; L58-L77 WeakPolarHBondContact O-CA 2.99Å; L58-K78 HydrophobicContact CB-CB 4.03Å; L58-K78 HydrophobicContact CB-CG 4.27Å; L58-K78 PolarHBondContact O-N 2.69Å
59V93Very high88.2Confident14 Ų1462.3 Ų62.39%0.08534%0.338CS..EExtended strand (participates in β ladder)trans-125.1120161-171.70000106.1S45 L48 L52 V56 G76 L77S45-V59 WeakPolarHBondContact OG-CG1 3.38Å; S45-V59 PolarHBondContact OG-O 3Å; L48-V59 HydrophobicContact CB-CG1 4.2Å; L52-V59 HydrophobicContact CD1-CG2 4.19Å; V56-V59 HydrophobicContact CB-CG2 4.49Å; V56-V59 HydrophobicContact CG2-CG2 3.59Å; V59-G76 WeakPolarHBondContact CA-O 3.31Å; V59-L77 HydrophobicContact CG1-CG 4.36Å; V59-L77 HydrophobicContact CG2-CG 4.35Å
60C92.2Very high87.6Confident40 Ų4068.3 Ų68.327%0.2736%0.358SS..EExtended strand (participates in β ladder)trans-139137.7-173.4-172.60000111.4Y7 L58 L75 G76Y7-C60 HydrophobicContact CE1-CB 4.3Å; L58-C60 HydrophobicContact CD1-CB 4.25Å; L58-C60 HydrophobicContact CD2-CB 4.37Å; L58-C60 HydrophobicContact CG-CB 4.12Å; C60-L75 CarbonylContact O-C 3.53Å; C60-L75 WeakPolarHBondContact O-CA 3.3Å; C60-G76 PolarHBondContact N-O 2.95Å; C60-G76 PolarHBondContact O-N 3.32Å
61P92.7Very high87.4Confident38 Ų3866.9 Ų66.925%0.24735%0.354CS..EExtended strand (participates in β ladder)trans-55.7134.8165.9-2535.6000112.2L41 N42 L75L41-P61 HydrophobicContact CB-CB 3.86Å; L41-P61 HydrophobicContact CB-CG 3.93Å; L41-P61 HydrophobicContact CD1-CB 4.16Å; N42-P61 WeakPolarHBondContact OD1-CG 3.41Å; P61-L75 HydrophobicContact CB-CD2 4.47Å; P61-L75 HydrophobicContact CG-CD2 4.22Å
62V91.9Very high87.3Confident9 Ų968.7 Ų68.76%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-135.9149.3-179.1-64.30000111.6Y7 L10 V64 G74Y7-V62 HydrophobicContact CD2-CG1 3.96Å; Y7-V62 HydrophobicContact CE2-CB 4.48Å; Y7-V62 HydrophobicContact CE2-CG1 3.23Å; L10-V62 HydrophobicContact CD2-CG2 3.84Å; V62-V64 HydrophobicContact CG2-CG2 4.09Å; V62-G74 VanDerWaalsContact CG2-C 3.45Å; V62-G74 WeakPolarHBondContact CG2-O 3.42Å; V62-G74 PolarHBondContact N-O 2.81Å; V62-G74 PolarHBondContact O-N 3Å
63R90.2Very high87.2Confident138 Ų13870.1 Ų70.152%0.52137%0.37SS..EExtended strand (participates in β ladder)trans-107.7119166.8-63-174.7-171.1-175.82.6108.6C3 E38 D71 L72C3-R63 PolarHBondContact SG-O 3.04Å; E38-R63 IonicContact OE1-CZ 3.65Å; E38-R63 IonicContact OE1-NE 3.93Å; E38-R63 IonicContact OE1-NH2 2.67Å; E38-R63 PolarHBondContact OE1-NH2 3.17Å; R63-D71 HydrophobicContact CB-CB 4.43Å; R63-L72 CarbonylContact C-O 3.21Å; R63-L72 WeakPolarHBondContact CA-O 3.42Å
64V89Confident87.5Confident1 Ų165 Ų651%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-102.4105.6-178.4-168.90000108.7C3 I12 V62 L72 V590C3-V64 HydrophobicContact CB-CG2 4.34Å; I12-V64 HydrophobicContact CD1-CG1 4.47Å; I12-V64 HydrophobicContact CD1-CG2 4.29Å; I12-V64 HydrophobicContact CG1-CG2 4.37Å; V62-V64 HydrophobicContact CG2-CG2 4.09Å; V64-L72 HydrophobicContact CB-CB 4.48Å; V64-L72 PolarHBondContact N-O 2.95Å; V64-L72 PolarHBondContact O-N 2.78Å; V64-V590 HydrophobicContact CB-CG1 4.46Å; V64-V590 HydrophobicContact CG1-CB 4.32Å; V64-V590 HydrophobicContact CG1-CG1 3.5Å; V64-V590 HydrophobicContact CG1-CG2 3.77Å
65S86.3Confident87.8Confident56 Ų5659.8 Ų59.839%0.39232%0.32SS..  trans-80139-17861.50000112.5D71 R586S65-D71 VanDerWaalsContact CA-OD1 3.25Å; S65-D71 WeakPolarHBondContact CA-OD1 3.39Å; S65-D71 WeakPolarHBondContact CB-OD1 3.42Å; S65-R586 PolarHBondContact O-NH1 2.79Å; S65-R586 PolarHBondContact O-NH2 2.98Å
66I79.8Confident88.1Confident24 Ų2459.2 Ų59.212%0.12332%0.318CS..  trans-121.8125.9170.9-56.9173.1000107G68 K69 L72 V590I66-G68 PolarHBondContact O-N 2.84Å; I66-K69 HydrophobicContact CB-CB 4.24Å; I66-K69 HydrophobicContact CG2-CB 4.41Å; I66-K69 HydrophobicContact CG2-CD 4.27Å; I66-K69 HydrophobicContact CG2-CG 4.48Å; I66-K69 PolarHBondContact O-N 3.48Å; I66-L72 HydrophobicContact CD1-CD1 3.73Å; I66-L72 HydrophobicContact CD1-CG 4.21Å; I66-V590 HydrophobicContact CD1-CG1 3.68Å; I66-V590 HydrophobicContact CG1-CB 4.38Å; I66-V590 HydrophobicContact CG1-CG1 3.48Å; I66-V590 VanDerWaalsContact CG1-CG1 3.48Å
67K78Confident88.2Confident181 Ų18158.7 Ų58.779%0.78732%0.315SS*.THydrogen-bonded Turntrans-51.2124.6179.7-70.5-176.8178.7175.20110.5K69 D583K67-K69 VanDerWaalsContact C-N 3.33Å; K67-K69 PolarHBondContact O-N 2.92Å; K67-D583 IonicContact NZ-OD2 3.54Å
68G76.1Confident88.3Confident91 Ų9155 Ų5594%0.93829%0.288SS*.THydrogen-bonded Turntrans76.69.2177.300000115.8I66I66-G68 PolarHBondContact O-N 2.84Å
69K81.3Confident88.2Confident149 Ų14953.1 Ų53.165%0.64828%0.277SS*.SBendtrans-128.9164.4176.1-65.9-172.4178.9-179.70111I66 K67I66-K69 HydrophobicContact CB-CB 4.24Å; I66-K69 HydrophobicContact CG2-CB 4.41Å; I66-K69 HydrophobicContact CG2-CD 4.27Å; I66-K69 HydrophobicContact CG2-CG 4.48Å; I66-K69 PolarHBondContact O-N 3.48Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K67-K69 PolarHBondContact O-N 2.92Å
70K81.7Confident87.5Confident193 Ų19355.6 Ų55.684%0.83929%0.289SS*.PPolyproline II helixtrans-61.4142.8170.2-67.9-172.6177.6-174.80109.9
71D85.7Confident86.5Confident77 Ų7755.8 Ų55.841%0.41230%0.297SS..PPolyproline II helixtrans-60.9140.1176.2-70.4-15.5000110.9R63 S65R63-D71 HydrophobicContact CB-CB 4.43Å; S65-D71 VanDerWaalsContact CA-OD1 3.25Å; S65-D71 WeakPolarHBondContact CA-OD1 3.39Å; S65-D71 WeakPolarHBondContact CB-OD1 3.42Å
72L89Confident85.4Confident41 Ų4162.9 Ų62.922%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-89.7139.1174.1-62.4179.8000110I12 R63 V64 I66 V590I12-L72 HydrophobicContact CG2-CB 3.74Å; I12-L72 HydrophobicContact CG2-CD1 3.84Å; I12-L72 HydrophobicContact CG2-CG 4.4Å; R63-L72 CarbonylContact C-O 3.21Å; R63-L72 WeakPolarHBondContact CA-O 3.42Å; V64-L72 HydrophobicContact CB-CB 4.48Å; V64-L72 PolarHBondContact N-O 2.95Å; V64-L72 PolarHBondContact O-N 2.78Å; I66-L72 HydrophobicContact CD1-CD1 3.73Å; I66-L72 HydrophobicContact CD1-CG 4.21Å; L72-V590 HydrophobicContact CD1-CG1 4.28Å
73H90.8Very high84.7Confident32 Ų3266.5 Ų66.515%0.14835%0.346CS..EExtended strand (participates in β ladder)trans-86.6140.5174.7-69-85.9000110.4F13 I16 L41F13-H73 WeakPolarHBondContact CB-O 3.3Å; F13-H73 PolarHBondContact N-O 2.7Å; I16-H73 HydrophobicContact CB-CB 4.26Å; I16-H73 HydrophobicContact CD1-CB 4.26Å; I16-H73 HydrophobicContact CG1-CB 4.11Å; L41-H73 HydrophobicContact CD1-CB 4.17Å
74G93.1Very high84.1Confident0 Ų060 Ų600%032%0.321CS..EExtended strand (participates in β ladder)trans-162.5-174.3-179.400000113.7V11 V62V11-G74 CarbonylContact O-C 3.55Å; V11-G74 WeakPolarHBondContact O-CA 3.32Å; V62-G74 VanDerWaalsContact CG2-C 3.45Å; V62-G74 WeakPolarHBondContact CG2-O 3.42Å; V62-G74 PolarHBondContact N-O 2.81Å; V62-G74 PolarHBondContact O-N 3Å
75L95.3Very high83.7Confident0 Ų065.1 Ų65.10%035%0.345CS..EExtended strand (participates in β ladder)trans-124132.6172-64.2163.3000109L10 V11 F13 L41 V44 L48 C60 P61 L77L10-L75 WeakPolarHBondContact CA-O 3.22Å; V11-L75 HydrophobicContact CB-CB 4.35Å; V11-L75 PolarHBondContact N-O 2.86Å; V11-L75 PolarHBondContact O-N 2.79Å; F13-L75 HydrophobicContact CE2-CD1 3.96Å; F13-L75 HydrophobicContact CE2-CG 3.99Å; F13-L75 HydrophobicContact CZ-CD1 3.91Å; F13-L75 HydrophobicContact CZ-CG 4.43Å; L41-L75 HydrophobicContact CD2-CD2 4.47Å; L41-L75 HydrophobicContact CD2-CG 4.43Å; V44-L75 HydrophobicContact CB-CD1 4.32Å; V44-L75 HydrophobicContact CG1-CD1 3.63Å; L48-L75 HydrophobicContact CD1-CD1 3.65Å; C60-L75 CarbonylContact O-C 3.53Å; C60-L75 WeakPolarHBondContact O-CA 3.3Å; P61-L75 HydrophobicContact CB-CD2 4.47Å; P61-L75 HydrophobicContact CG-CD2 4.22Å; L75-L77 HydrophobicContact CB-CD1 4.33Å
76G94Very high83.7Confident0 Ų064 Ų640%034%0.339CS..EExtended strand (participates in β ladder)trans-100.5132.9172.600000110.8Y7 V59 C60Y7-G76 VanDerWaalsContact CG-CA 3.43Å; V59-G76 WeakPolarHBondContact CA-O 3.31Å; C60-G76 PolarHBondContact N-O 2.95Å; C60-G76 PolarHBondContact O-N 3.32Å
77L93.1Very high84Confident0 Ų065.7 Ų65.70%035%0.351CS..EExtended strand (participates in β ladder)trans-118.7139.4-180-66.478.7000110.3D8 H9 V11 L52 V56 L58 V59 L75 I136D8-L77 PolarHBondContact N-O 3.4Å; H9-L77 HydrophobicContact CB-CB 4.14Å; H9-L77 PolarHBondContact N-O 2.86Å; H9-L77 PolarHBondContact O-N 2.97Å; V11-L77 HydrophobicContact CG2-CD1 3.82Å; L52-L77 HydrophobicContact CD1-CD2 3.48Å; L52-L77 VanDerWaalsContact CD1-CD2 3.48Å; V56-L77 HydrophobicContact CG1-CD2 4.3Å; L58-L77 VanDerWaalsContact O-CA 3.3Å; L58-L77 WeakPolarHBondContact O-CA 2.99Å; V59-L77 HydrophobicContact CG1-CG 4.36Å; V59-L77 HydrophobicContact CG2-CG 4.35Å; L75-L77 HydrophobicContact CB-CD1 4.33Å; L77-I136 HydrophobicContact CD1-CD1 4.38Å; L77-I136 HydrophobicContact CD2-CD1 3.53Å; L77-I136 HydrophobicContact CD2-CG1 4.45Å
78K90.6Very high84.6Confident3 Ų360 Ų601%0.01333%0.328CS..EExtended strand (participates in β ladder)trans-110127.1168.9-80-66.6-156.6167.50110.2F6 Y7 D8 V56 S57 L58 T489F6-K78 HydrophobicContact CE1-CG 4.49Å; F6-K78 WeakPolarHBondContact O-CE 3.38Å; F6-K78 PolarHBondContact O-NZ 3.14Å; Y7-K78 HydrophobicContact CD1-CG 4.36Å; D8-K78 IonicContact OD1-NZ 2.89Å; D8-K78 WeakPolarHBondContact OD2-CA 3.27Å; D8-K78 VanDerWaalsContact OD2-CD 3.26Å; D8-K78 WeakPolarHBondContact OD2-CD 3.33Å; V56-K78 CarbonylContact C-O 3.57Å; V56-K78 WeakPolarHBondContact CA-O 3.3Å; V56-K78 WeakPolarHBondContact CB-O 3.43Å; S57-K78 PolarHBondContact N-O 2.93Å; S57-K78 VanDerWaalsContact OG-CB 3.28Å; S57-K78 WeakPolarHBondContact OG-CB 3.37Å; L58-K78 HydrophobicContact CB-CB 4.03Å; L58-K78 HydrophobicContact CB-CG 4.27Å; L58-K78 PolarHBondContact O-N 2.69Å; K78-T489 WeakPolarHBondContact CE-OG1 3.4Å; K78-T489 PolarHBondContact NZ-OG1 2.92Å
79Y87.9Confident85.3Confident28 Ų2856.5 Ų56.511%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-83.1144.4-176.3-74.1-6.1000111.8D8 H9 V56 T84 N130 C132 P161D8-Y79 HydrophobicContact CB-CD2 4.15Å; D8-Y79 HydrophobicContact CB-CG 4.09Å; D8-Y79 PolarHBondContact OD2-N 3.26Å; H9-Y79 HydrophobicContact CB-CE1 3.62Å; H9-Y79 HydrophobicContact CB-CE2 4.43Å; H9-Y79 WeakPolarHBondContact CB-OH 3.33Å; H9-Y79 AromaticContact ND1-CE1 3.91Å; H9-Y79 AromaticContact ND1-CZ 3.85Å; H9-Y79 PolarHBondContact ND1-OH 3.15Å; V56-Y79 HydrophobicContact CG1-CD1 4.05Å; V56-Y79 HydrophobicContact CG1-CE1 4.45Å; Y79-T84 WeakPolarHBondContact CB-OG1 3.01Å; Y79-T84 HydrophobicContact CD1-CG2 3.95Å; Y79-T84 HydrophobicContact CD2-CG2 3.37Å; Y79-T84 HydrophobicContact CE1-CG2 4.28Å; Y79-T84 HydrophobicContact CE2-CG2 3.72Å; Y79-T84 HydrophobicContact CG-CG2 3.47Å; Y79-T84 VanDerWaalsContact CG-CG2 3.47Å; Y79-N130 PolarHBondContact OH-ND2 3.26Å; Y79-N130 PolarHBondContact OH-OD1 2.85Å; Y79-C132 HydrophobicContact CE1-CB 3.93Å; Y79-P161 HydrophobicContact CD2-CG 4.22Å; Y79-P161 HydrophobicContact CE2-CG 3.61Å
80I80.2Confident85.6Confident67 Ų6754.5 Ų54.534%0.34428%0.28SS..  trans-104.6104.5171.5-64.1171.1000107.7D54 R55 V56 Q82 L83 T84D54-I80 WeakPolarHBondContact O-CB 3.3Å; D54-I80 WeakPolarHBondContact O-CD1 3.1Å; R55-I80 PolarHBondContact O-N 2.85Å; V56-I80 VanDerWaalsContact O-CD1 3.3Å; V56-I80 WeakPolarHBondContact O-CD1 3.49Å; I80-Q82 PolarHBondContact O-N 3.28Å; I80-L83 PolarHBondContact O-N 2.88Å; I80-T84 PolarHBondContact N-OG1 2.97Å; I80-T84 VanDerWaalsContact N-OG1 3.13Å; I80-T84 PolarHBondContact O-N 2.86Å; I80-T84 PolarHBondContact O-OG1 2.97Å
81G70.9Confident86Confident43 Ų4345.8 Ų45.844%0.44325%0.245SC..Hα-helixtrans-13-91.8-17400000117L83 T84G81-L83 PolarHBondContact O-N 3.34Å; G81-T84 WeakPolarHBondContact O-CB 3.26Å; G81-T84 PolarHBondContact O-N 2.87Å
82Q68.6Low86.3Confident187 Ų18743.7 Ų43.787%0.87424%0.236SC*.Hα-helixtrans-65.7-35-164-64.8-176.3-3.700114.4I80I80-Q82 PolarHBondContact O-N 3.28Å
83L76.6Confident86.3Confident86 Ų8644.9 Ų44.945%0.4525%0.246SC..Hα-helixtrans-86.2-18.6-175.4-64.3176.8000113.2D54 R55 I80 G81 H85 A86D54-L83 HydrophobicContact CB-CD1 3.6Å; R55-L83 PolarHBondContact NH1-O 3.29Å; I80-L83 PolarHBondContact O-N 2.88Å; G81-L83 PolarHBondContact O-N 3.34Å; L83-H85 PolarHBondContact O-N 2.93Å; L83-H85 VanDerWaalsContact O-N 3.09Å; L83-A86 WeakPolarHBondContact O-CB 3.44Å; L83-A86 PolarHBondContact O-N 3.2Å; L83-A86 VanDerWaalsContact O-N 3.1Å
84T78.8Confident86.2Confident1 Ų144.4 Ų44.41%0.00625%0.246CC..Hα-helixtrans-50.8-39.9-179.6-64.90000112.6R55 Y79 I80 G81R55-T84 PolarHBondContact NH1-O 3.25Å; R55-T84 PolarHBondContact O-OG1 3.45Å; R55-T84 VanDerWaalsContact O-OG1 3.1Å; Y79-T84 WeakPolarHBondContact CB-OG1 3.01Å; Y79-T84 HydrophobicContact CD1-CG2 3.95Å; Y79-T84 HydrophobicContact CD2-CG2 3.37Å; Y79-T84 HydrophobicContact CE1-CG2 4.28Å; Y79-T84 HydrophobicContact CE2-CG2 3.72Å; Y79-T84 HydrophobicContact CG-CG2 3.47Å; Y79-T84 VanDerWaalsContact CG-CG2 3.47Å; I80-T84 PolarHBondContact N-OG1 2.97Å; I80-T84 VanDerWaalsContact N-OG1 3.13Å; I80-T84 PolarHBondContact O-N 2.86Å; I80-T84 PolarHBondContact O-OG1 2.97Å; G81-T84 WeakPolarHBondContact O-CB 3.26Å; G81-T84 PolarHBondContact O-N 2.87Å
85H79.7Confident85.8Confident108 Ų10851.4 Ų51.450%0.528%0.284SS..THydrogen-bonded Turntrans-101.82.6-174.4-60.8-79.8000114.2L83 V87L83-H85 PolarHBondContact O-N 2.93Å; L83-H85 VanDerWaalsContact O-N 3.09Å; H85-V87 PolarHBondContact O-N 3.44Å
86A86Confident85.7Confident33 Ų3353.5 Ų53.527%0.27330%0.296SS..  trans-60.8120.8-176.900000111.2R55 L83 L88R55-A86 VanDerWaalsContact CZ-O 3.23Å; R55-A86 PolarHBondContact NH1-O 2.99Å; R55-A86 PolarHBondContact NH2-O 2.81Å; L83-A86 WeakPolarHBondContact O-CB 3.44Å; L83-A86 PolarHBondContact O-N 3.2Å; L83-A86 VanDerWaalsContact O-N 3.1Å; A86-L88 VanDerWaalsContact C-N 3.28Å; A86-L88 PolarHBondContact O-N 3.18Å
87V87.9Confident85.6Confident60 Ų6058.4 Ų58.436%0.36433%0.328SS..SBendtrans-68.7-29.7-176-179.80000111.9H85 W125H85-V87 PolarHBondContact O-N 3.44Å; V87-W125 WeakPolarHBondContact CG1-O 3.45Å; V87-W125 WeakPolarHBondContact O-CB 3.43Å; V87-W125 VanDerWaalsContact O-CD1 3.28Å; V87-W125 PolarHBondContact O-N 2.9Å
88L90.3Very high85.5Confident60 Ų6060.5 Ų60.531%0.31435%0.346SS..EExtended strand (participates in β ladder)trans-99.9135176.8-174.368.7000110.1R55 A86 V115 C122 V124R55-L88 PolarHBondContact NH2-O 3.28Å; A86-L88 VanDerWaalsContact C-N 3.28Å; A86-L88 PolarHBondContact O-N 3.18Å; L88-V115 HydrophobicContact CD2-CG1 4.42Å; L88-V115 HydrophobicContact CD2-CG2 3.82Å; L88-C122 HydrophobicContact CD1-CB 3.79Å; L88-V124 HydrophobicContact CD1-CG2 3.54Å
89T89.6Confident85.5Confident18 Ų1860.4 Ų60.411%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-105.1106.2165.7-49.50000107.5R55 G91 C122 V123 W125R55-T89 PolarHBondContact NH2-OG1 3.11Å; T89-G91 PolarHBondContact O-N 2.92Å; T89-C122 WeakPolarHBondContact O-CA 3.26Å; T89-V123 PolarHBondContact N-O 3.1Å; T89-V123 PolarHBondContact O-N 2.92Å; T89-W125 PolarHBondContact OG1-NE1 2.94Å
90K88.2Confident85.6Confident107 Ų10763.5 Ų63.547%0.46536%0.364SS..EExtended strand (participates in β ladder)trans-73.5123.3177.5-172.8178.6-175.8172.70108.8V115 D116K90-V115 HydrophobicContact CD-CG1 3.98Å; K90-V115 HydrophobicContact CG-CG1 4.46Å; K90-D116 IonicContact NZ-OD2 3.7Å; K90-D116 PolarHBondContact NZ-OD2 3.16Å
91G89.1Confident86.2Confident11 Ų1167 Ų6711%0.11338%0.379CS..EExtended strand (participates in β ladder)trans-102.3-175.2169.800000111.9T89 E121T89-G91 PolarHBondContact O-N 2.92Å; G91-E121 CarbonylContact C-O 3.52Å; G91-E121 WeakPolarHBondContact CA-O 3.48Å; G91-E121 PolarHBondContact N-O 2.65Å
92P91.8Very high87.2Confident33 Ų3365.5 Ų65.521%0.21436%0.36CS..EExtended strand (participates in β ladder)trans-66.8164.5-179.4-20.134000113.2A98 F102 C120 E121P92-A98 HydrophobicContact CB-CB 3.89Å; P92-A98 HydrophobicContact CG-CB 3.83Å; P92-F102 HydrophobicContact CG-CB 4.47Å; P92-C120 WeakPolarHBondContact O-CA 3.11Å; P92-E121 PolarHBondContact O-N 2.89Å
93P90.2Very high88.2Confident66 Ų6660.8 Ų60.843%0.42933%0.334SS..EExtended strand (participates in β ladder)trans-56.7145.5173.4-23.734000112.8T96P93-T96 HydrophobicContact CB-CG2 4.02Å; P93-T96 WeakPolarHBondContact O-CG2 3.5Å; P93-T96 PolarHBondContact O-OG1 2.86Å
94S87.8Confident88.8Confident21 Ų2167.4 Ų67.415%0.14735%0.353CS..THydrogen-bonded Turntrans-59.3153.6175.6-171.50000111.5T96 L112 L119S94-T96 PolarHBondContact O-N 2.64Å; S94-T96 VanDerWaalsContact O-N 3.17Å; S94-L112 WeakPolarHBondContact OG-CD2 3.36Å; S94-L119 WeakPolarHBondContact CB-O 3.48Å; S94-L119 PolarHBondContact N-O 2.82Å
95N86.2Confident89.4Confident148 Ų14868.8 Ų68.879%0.79136%0.359SS*.THydrogen-bonded Turntrans60.916-179.7-57.3-19.9000115
96T91.5Very high90Very high43 Ų4363.9 Ų63.926%0.26434%0.336SS..SBendtrans-96.3153.6168.665.60000110.5P93 S94 A98 G99 N100P93-T96 HydrophobicContact CB-CG2 4.02Å; P93-T96 WeakPolarHBondContact O-CG2 3.5Å; P93-T96 PolarHBondContact O-OG1 2.86Å; S94-T96 PolarHBondContact O-N 2.64Å; S94-T96 VanDerWaalsContact O-N 3.17Å; T96-A98 PolarHBondContact O-N 2.91Å; T96-G99 WeakPolarHBondContact O-CA 3.49Å; T96-G99 PolarHBondContact O-N 3.08Å; T96-G99 PolarHBondContact OG1-N 3.17Å; T96-N100 PolarHBondContact O-N 3.31Å
97P93Very high90.2Very high103 Ų10364.2 Ų64.267%0.66934%0.343SS*.Hα-helixtrans-53.1-42.9172.2-26.935.1000112.4G99 N100 E101P97-G99 VanDerWaalsContact C-N 3.34Å; P97-G99 PolarHBondContact O-N 3.46Å; P97-N100 PolarHBondContact O-N 3.03Å; P97-E101 PolarHBondContact O-N 2.86Å
98A91Very high90.1Very high45 Ų4571.8 Ų71.837%0.37237%0.371SS..Hα-helixtrans-63.8-35.9176.100000112.9P92 T96 E101 F102P92-A98 HydrophobicContact CB-CB 3.89Å; P92-A98 HydrophobicContact CG-CB 3.83Å; T96-A98 PolarHBondContact O-N 2.91Å; A98-E101 PolarHBondContact O-N 3.37Å; A98-F102 WeakPolarHBondContact O-CB 3.42Å; A98-F102 PolarHBondContact O-N 3.33Å
99G90.1Very high90.2Very high0 Ų073.4 Ų73.40%038%0.375CS..Hα-helixtrans-65.2-41.4173.400000112.2T96 P97 F102 R103T96-G99 WeakPolarHBondContact O-CA 3.49Å; T96-G99 PolarHBondContact O-N 3.08Å; T96-G99 PolarHBondContact OG1-N 3.17Å; P97-G99 VanDerWaalsContact C-N 3.34Å; P97-G99 PolarHBondContact O-N 3.46Å; G99-F102 WeakPolarHBondContact O-CB 3.18Å; G99-F102 PolarHBondContact O-N 2.98Å; G99-R103 PolarHBondContact O-N 3.17Å
100N91Very high90.3Very high94 Ų9473.1 Ų73.150%0.50338%0.375SS..Hα-helixtrans-65.3-40.5175.6-68.6-24.8000111.9T96 P97 R103 R104T96-N100 PolarHBondContact O-N 3.31Å; P97-N100 PolarHBondContact O-N 3.03Å; N100-R103 PolarHBondContact O-N 3.08Å; N100-R104 VanDerWaalsContact O-CB 3.28Å; N100-R104 WeakPolarHBondContact O-CB 3.49Å; N100-R104 PolarHBondContact O-N 3.24Å
101E91.2Very high90.5Very high139 Ų13971.8 Ų71.865%0.6537%0.37SS*.Hα-helixtrans-61.8-43.9172.3-74.1176.2179.300111.8P97 A98 R104 F105P97-E101 PolarHBondContact O-N 2.86Å; A98-E101 PolarHBondContact O-N 3.37Å; E101-R104 CarbonylContact O-C 3.51Å; E101-R104 WeakPolarHBondContact O-CB 3.33Å; E101-R104 PolarHBondContact O-N 3.16Å; E101-F105 WeakPolarHBondContact O-CB 3.35Å; E101-F105 PolarHBondContact O-N 3.35Å
102F92Very high90.6Very high13 Ų1375 Ų756%0.05738%0.384CS..Hα-helixtrans-60.5-48.1176.1-175.8-82.7000111.7P92 A98 G99 R104 F105 W106 A110 E121 V123P92-F102 HydrophobicContact CG-CB 4.47Å; A98-F102 WeakPolarHBondContact O-CB 3.42Å; A98-F102 PolarHBondContact O-N 3.33Å; G99-F102 WeakPolarHBondContact O-CB 3.18Å; G99-F102 PolarHBondContact O-N 2.98Å; F102-R104 VanDerWaalsContact C-N 3.31Å; F102-R104 PolarHBondContact O-N 3.29Å; F102-F105 PolarHBondContact O-N 2.66Å; F102-W106 AromaticContact CD1-CD1 3.59Å; F102-W106 AromaticContact CD2-CD1 3.82Å; F102-W106 AromaticContact CD2-NE1 3.71Å; F102-W106 AromaticContact CE1-CD1 3.37Å; F102-W106 HydrophobicContact CE1-CG 4.27Å; F102-W106 AromaticContact CE1-NE1 3.87Å; F102-W106 AromaticContact CE2-CD1 3.61Å; F102-W106 AromaticContact CE2-NE1 3.25Å; F102-W106 VanDerWaalsContact CE2-NE1 3.25Å; F102-W106 AromaticContact CG-CD1 3.82Å; F102-W106 AromaticContact CZ-CD1 3.39Å; F102-W106 HydrophobicContact CZ-CG 4.4Å; F102-W106 AromaticContact CZ-NE1 3.35Å; F102-W106 VanDerWaalsContact O-CD1 3.25Å; F102-W106 PolarHBondContact O-N 2.76Å; F102-A110 HydrophobicContact CD1-CB 4.3Å; F102-A110 HydrophobicContact CE1-CB 4.25Å; F102-E121 HydrophobicContact CD1-CB 3.48Å; F102-E121 VanDerWaalsContact CD1-CB 3.48Å; F102-E121 HydrophobicContact CD1-CG 4.34Å; F102-E121 HydrophobicContact CE1-CB 3.9Å; F102-E121 HydrophobicContact CG-CB 4.17Å; F102-V123 HydrophobicContact CE1-CG2 3.91Å; F102-V123 HydrophobicContact CZ-CG2 3.88Å
103R90.5Very high90.6Very high87 Ų8778.7 Ų78.733%0.32839%0.394SS..Hα-helixtrans-62.8-38.9175.8174.5166.2-78.6130.46.4111.4G99 N100 F105 G107 A110 E121G99-R103 PolarHBondContact O-N 3.17Å; N100-R103 PolarHBondContact O-N 3.08Å; R103-F105 VanDerWaalsContact C-N 3.31Å; R103-F105 PolarHBondContact O-N 2.92Å; R103-G107 VanDerWaalsContact O-CA 3.26Å; R103-G107 WeakPolarHBondContact O-CA 3.19Å; R103-G107 PolarHBondContact O-N 2.91Å; R103-A110 HydrophobicContact CB-CB 4.25Å; R103-A110 HydrophobicContact CG-CB 4.32Å; R103-E121 IonicContact CZ-OE1 4Å; R103-E121 IonicContact CZ-OE2 2.83Å; R103-E121 IonicContact NE-OE1 3.74Å; R103-E121 IonicContact NE-OE2 3.01Å; R103-E121 IonicContact NH1-OE1 3.79Å; R103-E121 PolarHBondContact NH1-OE1 3.47Å; R103-E121 IonicContact NH1-OE2 2.86Å; R103-E121 IonicContact NH2-OE1 3.01Å; R103-E121 PolarHBondContact NH2-OE1 3.48Å; R103-E121 IonicContact NH2-OE2 3.55Å; R103-E121 PolarHBondContact NH2-OE2 3.01Å
104R90Very high90.5Very high225 Ų22585.3 Ų85.385%0.84941%0.41SS*.Hα-helixtrans-63.2-38.3174.3-173.9178.5176.7-179.3-1.2111.6N100 E101 F102N100-R104 VanDerWaalsContact O-CB 3.28Å; N100-R104 WeakPolarHBondContact O-CB 3.49Å; N100-R104 PolarHBondContact O-N 3.24Å; E101-R104 CarbonylContact O-C 3.51Å; E101-R104 WeakPolarHBondContact O-CB 3.33Å; E101-R104 PolarHBondContact O-N 3.16Å; F102-R104 VanDerWaalsContact C-N 3.31Å; F102-R104 PolarHBondContact O-N 3.29Å
105F90.8Very high90.4Very high30 Ų3085.3 Ų85.313%0.13241%0.409CS..Hα-helixtrans-68.7-45.2-179.5-179-85.2000113L47 E50 A51 E101 F102 R103 I139 K143L47-F105 HydrophobicContact CD1-CE2 3.81Å; L47-F105 HydrophobicContact CD1-CZ 4.11Å; E50-F105 VanDerWaalsContact CD-CE2 3.42Å; E50-F105 HydrophobicContact CG-CE2 4.06Å; E50-F105 HydrophobicContact CG-CZ 4.46Å; E50-F105 WeakPolarHBondContact OE1-CD2 3.43Å; E50-F105 WeakPolarHBondContact OE1-CE2 3.16Å; A51-F105 HydrophobicContact CB-CE1 4.14Å; A51-F105 HydrophobicContact CB-CZ 3.99Å; E101-F105 WeakPolarHBondContact O-CB 3.35Å; E101-F105 PolarHBondContact O-N 3.35Å; F102-F105 PolarHBondContact O-N 2.66Å; R103-F105 VanDerWaalsContact C-N 3.31Å; R103-F105 PolarHBondContact O-N 2.92Å; F105-I139 HydrophobicContact CE1-CD1 4.03Å; F105-I139 HydrophobicContact CZ-CD1 4.1Å; F105-K143 PolarHBondContact O-NZ 3.42Å
106W92.2Very high90.3Very high6 Ų684.8 Ų84.82%0.02341%0.407CS..Hα-helixtrans-93.1-14.1-176.4-66.2106.4000113.9A51 F102 K108 K109 A110 V123 W125 I135 F138 I139A51-W106 HydrophobicContact CB-CH2 3.94Å; A51-W106 HydrophobicContact CB-CZ2 4.45Å; F102-W106 AromaticContact CD1-CD1 3.59Å; F102-W106 AromaticContact CD2-CD1 3.82Å; F102-W106 AromaticContact CD2-NE1 3.71Å; F102-W106 AromaticContact CE1-CD1 3.37Å; F102-W106 HydrophobicContact CE1-CG 4.27Å; F102-W106 AromaticContact CE1-NE1 3.87Å; F102-W106 AromaticContact CE2-CD1 3.61Å; F102-W106 AromaticContact CE2-NE1 3.25Å; F102-W106 VanDerWaalsContact CE2-NE1 3.25Å; F102-W106 AromaticContact CG-CD1 3.82Å; F102-W106 AromaticContact CZ-CD1 3.39Å; F102-W106 HydrophobicContact CZ-CG 4.4Å; F102-W106 AromaticContact CZ-NE1 3.35Å; F102-W106 VanDerWaalsContact O-CD1 3.25Å; F102-W106 PolarHBondContact O-N 2.76Å; W106-K108 PolarHBondContact O-N 2.5Å; W106-K109 HydrophobicContact CB-CB 4.45Å; W106-K109 PolarHBondContact O-N 3.38Å; W106-A110 HydrophobicContact CB-CB 4.05Å; W106-V123 HydrophobicContact CB-CG2 4.06Å; W106-V123 HydrophobicContact CD2-CG2 3.79Å; W106-V123 HydrophobicContact CE3-CG2 4.29Å; W106-V123 HydrophobicContact CG-CG2 3.66Å; W106-W125 HydrophobicContact CH2-CZ2 4.17Å; W106-W125 AromaticContact CZ3-CH2 3.97Å; W106-W125 HydrophobicContact CZ3-CH2 3.97Å; W106-W125 AromaticContact CZ3-CZ2 3.87Å; W106-W125 HydrophobicContact CZ3-CZ2 3.87Å; W106-I135 HydrophobicContact CH2-CG2 4.08Å; W106-I135 HydrophobicContact CZ3-CG2 4.48Å; W106-F138 AromaticContact CE3-CD1 3.94Å; W106-F138 HydrophobicContact CE3-CD1 3.94Å; W106-F138 AromaticContact CE3-CE1 3.72Å; W106-F138 HydrophobicContact CE3-CE1 3.72Å; W106-F138 AromaticContact CZ3-CD1 3.93Å; W106-F138 HydrophobicContact CZ3-CD1 3.93Å; W106-F138 HydrophobicContact CZ3-CE1 4.19Å; W106-F138 WeakPolarHBondContact O-CZ 3.23Å; W106-I139 HydrophobicContact CZ3-CD1 4.21Å
107G89.2Confident90Very high39 Ų3985.5 Ų85.540%0.40242%0.423SS..G310 helixtrans54.8-125.1-179.400000112R103 K109 A110R103-G107 VanDerWaalsContact O-CA 3.26Å; R103-G107 WeakPolarHBondContact O-CA 3.19Å; R103-G107 PolarHBondContact O-N 2.91Å; G107-K109 PolarHBondContact O-N 2.84Å; G107-K109 VanDerWaalsContact O-N 3.11Å; G107-A110 PolarHBondContact O-N 2.92Å; G107-A110 VanDerWaalsContact O-N 3.16Å
108K87.7Confident89.7Confident220 Ų22085.5 Ų85.596%0.95742%0.417SS*.G310 helixtrans-65.7-12.7-176.6-60.4-179.5-177.1176.50114.4W106W106-K108 PolarHBondContact O-N 2.5Å
109K90.9Very high89.8Confident94 Ų9487 Ų8741%0.40942%0.418SS..G310 helixtrans-83.4-17.1176.2-81.8-67.3-173.7176.70113.8W106 G107 V123 F138W106-K109 HydrophobicContact CB-CB 4.45Å; W106-K109 PolarHBondContact O-N 3.38Å; G107-K109 PolarHBondContact O-N 2.84Å; G107-K109 VanDerWaalsContact O-N 3.11Å; K109-V123 HydrophobicContact CB-CG1 4.18Å; K109-F138 HydrophobicContact CB-CE2 4.18Å; K109-F138 HydrophobicContact CB-CZ 3.99Å; K109-F138 HydrophobicContact CD-CE2 4.44Å; K109-F138 HydrophobicContact CG-CD2 3.78Å; K109-F138 HydrophobicContact CG-CE1 4.36Å; K109-F138 HydrophobicContact CG-CE2 3.28Å; K109-F138 HydrophobicContact CG-CG 4.5Å; K109-F138 HydrophobicContact CG-CZ 3.61Å
110A91.4Very high89.9Confident12 Ų1287.2 Ų87.210%0.09942%0.42CS..  trans-79.3127.4175.300000110.6F102 R103 W106 G107 C122F102-A110 HydrophobicContact CD1-CB 4.3Å; F102-A110 HydrophobicContact CE1-CB 4.25Å; R103-A110 HydrophobicContact CB-CB 4.25Å; R103-A110 HydrophobicContact CG-CB 4.32Å; W106-A110 HydrophobicContact CB-CB 4.05Å; G107-A110 PolarHBondContact O-N 2.92Å; G107-A110 VanDerWaalsContact O-N 3.16Å; A110-C122 WeakPolarHBondContact CA-O 3.42Å
111E92.6Very high90Very high78 Ų7882.7 Ų82.736%0.36440%0.396SS..EExtended strand (participates in β ladder)trans-132.5152.9174.759.8177.8-158.300110.9R113 C122 V124E111-R113 HydrophobicContact CG-CG 4.46Å; E111-R113 IonicContact OE1-CZ 2.64Å; E111-R113 IonicContact OE1-NE 3.47Å; E111-R113 PolarHBondContact OE1-NE 2.85Å; E111-R113 IonicContact OE1-NH2 3.84Å; E111-R113 PolarHBondContact OE1-NH2 3.1Å; E111-C122 PolarHBondContact N-O 2.94Å; E111-C122 PolarHBondContact O-N 3.07Å; E111-V124 WeakPolarHBondContact OE1-CG2 3.28Å
112L91.5Very high90.1Very high78 Ų7876.1 Ų76.141%0.40837%0.365SS..EExtended strand (participates in β ladder)trans-79.5125176.4-68.5175.6000110.2S94 L119 E121S94-L112 WeakPolarHBondContact OG-CD2 3.36Å; L112-L119 HydrophobicContact CB-CD1 4.09Å; L112-L119 HydrophobicContact CD1-CD2 4.41Å; L112-L119 HydrophobicContact CD2-CG 4.4Å; L112-E121 HydrophobicContact CD2-CG 4.47Å; L112-E121 WeakPolarHBondContact CD2-OE1 3.17Å
113R91.3Very high90.2Very high111 Ų11175.5 Ų75.542%0.41936%0.362SS..EExtended strand (participates in β ladder)trans-134.5147.6171.8-72.8-166.1176.8-158.41.2111.2E111 V115 C120 C122E111-R113 HydrophobicContact CG-CG 4.46Å; E111-R113 IonicContact OE1-CZ 2.64Å; E111-R113 IonicContact OE1-NE 3.47Å; E111-R113 PolarHBondContact OE1-NE 2.85Å; E111-R113 IonicContact OE1-NH2 3.84Å; E111-R113 PolarHBondContact OE1-NH2 3.1Å; R113-V115 HydrophobicContact CB-CG2 4.43Å; R113-C120 PolarHBondContact N-O 2.93Å; R113-C120 PolarHBondContact O-N 2.99Å; R113-C122 HydrophobicContact CB-CB 4.21Å; R113-C122 HydrophobicContact CG-CB 4.47Å
114R89.8Confident90.2Very high205 Ų20573.3 Ų73.377%0.77436%0.359SS*.EExtended strand (participates in β ladder)trans-80.7118.4168.1-67.4-172.6-179.4-161.6-0.6109.1D118 L119R114-D118 CarbonylContact C-O 3.6Å; R114-D118 VanDerWaalsContact CA-O 3.23Å; R114-D118 WeakPolarHBondContact CA-O 3.43Å; R114-L119 HydrophobicContact CG-CD1 4.01Å
115V84.7Confident90.3Very high21 Ų2163 Ų6313%0.12732%0.32CS..EExtended strand (participates in β ladder)trans-125.7121.9176.9-173.50000106.8L88 K90 R113 G117 D118L88-V115 HydrophobicContact CD2-CG1 4.42Å; L88-V115 HydrophobicContact CD2-CG2 3.82Å; K90-V115 HydrophobicContact CD-CG1 3.98Å; K90-V115 HydrophobicContact CG-CG1 4.46Å; R113-V115 HydrophobicContact CB-CG2 4.43Å; V115-G117 PolarHBondContact O-N 2.66Å; V115-D118 PolarHBondContact N-O 2.89Å; V115-D118 PolarHBondContact O-N 2.74Å
116D84.1Confident90.2Very high138 Ų13866.9 Ų66.974%0.73834%0.342SS*.THydrogen-bonded Turntrans58.225.9-175.6-44.2-44.9000113.9K90K90-D116 IonicContact NZ-OD2 3.7Å; K90-D116 PolarHBondContact NZ-OD2 3.16Å
117G86.3Confident89.5Confident58 Ų5871.7 Ų71.760%0.59838%0.376SS*.THydrogen-bonded Turntrans94.9-25.7-178.400000114.4V115V115-G117 PolarHBondContact O-N 2.66Å
118D86.6Confident88.7Confident103 Ų10373.3 Ų73.355%0.55139%0.393SS*.EExtended strand (participates in β ladder)trans-86.1142.5-178.5-69-32.1000112.5R114 V115 C120R114-D118 CarbonylContact C-O 3.6Å; R114-D118 VanDerWaalsContact CA-O 3.23Å; R114-D118 WeakPolarHBondContact CA-O 3.43Å; V115-D118 PolarHBondContact N-O 2.89Å; V115-D118 PolarHBondContact O-N 2.74Å; D118-C120 PolarHBondContact O-N 3.26Å
119L91.6Very high88.4Confident76 Ų7665.4 Ų65.440%0.39837%0.365SS..EExtended strand (participates in β ladder)trans-81.1104.8175-170.369000109.9S94 L112 R114S94-L119 WeakPolarHBondContact CB-O 3.48Å; S94-L119 PolarHBondContact N-O 2.82Å; L112-L119 HydrophobicContact CB-CD1 4.09Å; L112-L119 HydrophobicContact CD1-CD2 4.41Å; L112-L119 HydrophobicContact CD2-CG 4.4Å; R114-L119 HydrophobicContact CG-CD1 4.01Å
120C92.8Very high88.2Confident4 Ų461.6 Ų61.63%0.02735%0.349CS..EExtended strand (participates in β ladder)trans-113.8153.4-179.5-63.70000112P92 R113 D118P92-C120 WeakPolarHBondContact O-CA 3.11Å; R113-C120 PolarHBondContact N-O 2.93Å; R113-C120 PolarHBondContact O-N 2.99Å; D118-C120 PolarHBondContact O-N 3.26Å
121E92.9Very high88.1Confident0 Ų061.2 Ų61.20%035%0.346CS..EExtended strand (participates in β ladder)trans-67.1133161.2-66.7-6315600109.6G91 P92 F102 R103 L112G91-E121 CarbonylContact C-O 3.52Å; G91-E121 WeakPolarHBondContact CA-O 3.48Å; G91-E121 PolarHBondContact N-O 2.65Å; P92-E121 PolarHBondContact O-N 2.89Å; F102-E121 HydrophobicContact CD1-CB 3.48Å; F102-E121 VanDerWaalsContact CD1-CB 3.48Å; F102-E121 HydrophobicContact CD1-CG 4.34Å; F102-E121 HydrophobicContact CE1-CB 3.9Å; F102-E121 HydrophobicContact CG-CB 4.17Å; R103-E121 IonicContact CZ-OE1 4Å; R103-E121 IonicContact CZ-OE2 2.83Å; R103-E121 IonicContact NE-OE1 3.74Å; R103-E121 IonicContact NE-OE2 3.01Å; R103-E121 IonicContact NH1-OE1 3.79Å; R103-E121 PolarHBondContact NH1-OE1 3.47Å; R103-E121 IonicContact NH1-OE2 2.86Å; R103-E121 IonicContact NH2-OE1 3.01Å; R103-E121 PolarHBondContact NH2-OE1 3.48Å; R103-E121 IonicContact NH2-OE2 3.55Å; R103-E121 PolarHBondContact NH2-OE2 3.01Å; L112-E121 HydrophobicContact CD2-CG 4.47Å; L112-E121 WeakPolarHBondContact CD2-OE1 3.17Å
122C93.6Very high88.1Confident0 Ų057.5 Ų57.50%033%0.329CS..EExtended strand (participates in β ladder)trans-142.7156.9-176.8-73.70000112L88 T89 A110 E111 R113L88-C122 HydrophobicContact CD1-CB 3.79Å; T89-C122 WeakPolarHBondContact O-CA 3.26Å; A110-C122 WeakPolarHBondContact CA-O 3.42Å; E111-C122 PolarHBondContact N-O 2.94Å; E111-C122 PolarHBondContact O-N 3.07Å; R113-C122 HydrophobicContact CB-CB 4.21Å; R113-C122 HydrophobicContact CG-CB 4.47Å
123V93.5Very high88.1Confident0 Ų056.5 Ų56.50%032%0.323CS..EExtended strand (participates in β ladder)trans-124.2133.6167.6-177.20000109.6T89 F102 W106 K109 W125T89-V123 PolarHBondContact N-O 3.1Å; T89-V123 PolarHBondContact O-N 2.92Å; F102-V123 HydrophobicContact CE1-CG2 3.91Å; F102-V123 HydrophobicContact CZ-CG2 3.88Å; W106-V123 HydrophobicContact CB-CG2 4.06Å; W106-V123 HydrophobicContact CD2-CG2 3.79Å; W106-V123 HydrophobicContact CE3-CG2 4.29Å; W106-V123 HydrophobicContact CG-CG2 3.66Å; K109-V123 HydrophobicContact CB-CG1 4.18Å; V123-W125 HydrophobicContact CB-CZ2 4.3Å; V123-W125 HydrophobicContact CG1-CD2 4.29Å; V123-W125 HydrophobicContact CG1-CH2 3.92Å; V123-W125 HydrophobicContact CG1-CZ2 3.39Å
124V91.5Very high88.2Confident42 Ų4252.6 Ų52.626%0.25531%0.309SS..EExtended strand (participates in β ladder)trans-113.9126.4-176.9177.60000109.9L88 E111L88-V124 HydrophobicContact CD1-CG2 3.54Å; E111-V124 WeakPolarHBondContact OE1-CG2 3.28Å
125W91.7Very high88.4Confident8 Ų842.8 Ų42.83%0.0327%0.272CS..  trans-100.7165.8179.6-55.9108.3000110.7V87 T89 W106 V123 V131 Q134 I135 F138V87-W125 WeakPolarHBondContact CG1-O 3.45Å; V87-W125 WeakPolarHBondContact O-CB 3.43Å; V87-W125 VanDerWaalsContact O-CD1 3.28Å; V87-W125 PolarHBondContact O-N 2.9Å; T89-W125 PolarHBondContact OG1-NE1 2.94Å; W106-W125 HydrophobicContact CH2-CZ2 4.17Å; W106-W125 AromaticContact CZ3-CH2 3.97Å; W106-W125 HydrophobicContact CZ3-CH2 3.97Å; W106-W125 AromaticContact CZ3-CZ2 3.87Å; W106-W125 HydrophobicContact CZ3-CZ2 3.87Å; V123-W125 HydrophobicContact CB-CZ2 4.3Å; V123-W125 HydrophobicContact CG1-CD2 4.29Å; V123-W125 HydrophobicContact CG1-CH2 3.92Å; V123-W125 HydrophobicContact CG1-CZ2 3.39Å; W125-V131 HydrophobicContact CB-CB 4.48Å; W125-V131 HydrophobicContact CB-CG1 3.9Å; W125-V131 HydrophobicContact CB-CG2 4.05Å; W125-V131 HydrophobicContact CD2-CG1 4.27Å; W125-V131 HydrophobicContact CG-CG1 3.56Å; W125-Q134 HydrophobicContact CD2-CB 4.42Å; W125-Q134 HydrophobicContact CE3-CB 3.6Å; W125-Q134 HydrophobicContact CZ3-CB 4Å; W125-I135 HydrophobicContact CD2-CG1 4.1Å; W125-I135 VanDerWaalsContact CE2-CG1 3.44Å; W125-I135 HydrophobicContact CE3-CG1 4.45Å; W125-I135 HydrophobicContact CH2-CB 4.3Å; W125-I135 HydrophobicContact CH2-CG1 3.69Å; W125-I135 HydrophobicContact CZ2-CB 4.28Å; W125-I135 HydrophobicContact CZ2-CD1 4.19Å; W125-I135 HydrophobicContact CZ2-CG1 3.25Å; W125-I135 HydrophobicContact CZ3-CG1 4.25Å; W125-F138 HydrophobicContact CH2-CB 4.32Å; W125-F138 HydrophobicContact CZ3-CB 4.37Å
126N88.7Confident88.9Confident111 Ų11141.8 Ų41.859%0.59427%0.266SS*.  trans-80.9135.5174.7-65-24.8000109.8G128 Q134N126-G128 VanDerWaalsContact C-N 3.32Å; N126-G128 PolarHBondContact O-N 3.43Å; N126-Q134 PolarHBondContact O-NE2 2.74Å
127S77.9Confident89.3Confident108 Ų10836.3 Ų36.376%0.75524%0.237SC*.THydrogen-bonded Turntrans-71.1-24.3178.552.50000114S129S127-S129 PolarHBondContact O-N 3.33Å
128G72.1Confident89.6Confident73 Ų7335 Ų3575%0.75321%0.214SC*.THydrogen-bonded Turntrans-82.8-3.9-175.400000115.8N126N126-G128 VanDerWaalsContact C-N 3.32Å; N126-G128 PolarHBondContact O-N 3.43Å
129S80.7Confident89.8Confident53 Ų5330.1 Ų30.137%0.37119%0.188SC..SBendtrans-135.3157.4177.664.90000111.4S127 V131 Q134S127-S129 PolarHBondContact O-N 3.33Å; S129-V131 PolarHBondContact O-N 3.16Å; S129-V131 VanDerWaalsContact O-N 3.14Å; S129-Q134 PolarHBondContact O-NE2 3.49Å; S129-Q134 WeakPolarHBondContact OG-CG 3.42Å; S129-Q134 PolarHBondContact OG-NE2 3.37Å
130N87.1Confident89.8Confident14 Ų1426.5 Ų26.58%0.07517%0.169CC..  trans-58.5122.2-178179-79000110.6Y79 C132 M133 Q134 L160Y79-N130 PolarHBondContact OH-ND2 3.26Å; Y79-N130 PolarHBondContact OH-OD1 2.85Å; N130-C132 PolarHBondContact O-N 2.93Å; N130-C132 WeakPolarHBondContact OD1-CB 3.06Å; N130-C132 PolarHBondContact OD1-N 3.42Å; N130-C132 VanDerWaalsContact OD1-N 3.1Å; N130-M133 HydrophobicContact CB-CB 3.98Å; N130-M133 WeakPolarHBondContact O-CB 3.3Å; N130-M133 PolarHBondContact O-N 3.08Å; N130-M133 PolarHBondContact OD1-N 3.31Å; N130-Q134 WeakPolarHBondContact O-CG 3.48Å; N130-Q134 PolarHBondContact O-N 2.87Å; N130-L160 HydrophobicContact CB-CD1 4.26Å; N130-L160 HydrophobicContact CB-CD2 4.31Å
131V89.8Confident89.6Confident5 Ų526.6 Ų26.63%0.0317%0.171CC..Hα-helixtrans-63.6-42.1-174.7174.60000111.9W125 S129 M133 Q134 I135W125-V131 HydrophobicContact CB-CB 4.48Å; W125-V131 HydrophobicContact CB-CG1 3.9Å; W125-V131 HydrophobicContact CB-CG2 4.05Å; W125-V131 HydrophobicContact CD2-CG1 4.27Å; W125-V131 HydrophobicContact CG-CG1 3.56Å; S129-V131 PolarHBondContact O-N 3.16Å; S129-V131 VanDerWaalsContact O-N 3.14Å; V131-M133 VanDerWaalsContact C-N 3.34Å; V131-M133 PolarHBondContact O-N 2.92Å; V131-Q134 WeakPolarHBondContact O-CB 3.18Å; V131-Q134 PolarHBondContact O-N 2.87Å; V131-I135 HydrophobicContact CG1-CD1 3.91Å; V131-I135 HydrophobicContact CG1-CG1 4.44Å; V131-I135 WeakPolarHBondContact O-CG1 3.41Å; V131-I135 PolarHBondContact O-N 3.03Å
132C91.5Very high89.2Confident0 Ų032.6 Ų32.60%020%0.199CC..Hα-helixtrans-62.2-40.9177-660000111.7L52 Y79 N130 Q134 I135 I136L52-C132 HydrophobicContact CD2-CB 4.09Å; Y79-C132 HydrophobicContact CE1-CB 3.93Å; N130-C132 PolarHBondContact O-N 2.93Å; N130-C132 WeakPolarHBondContact OD1-CB 3.06Å; N130-C132 PolarHBondContact OD1-N 3.42Å; N130-C132 VanDerWaalsContact OD1-N 3.1Å; C132-Q134 VanDerWaalsContact C-N 3.32Å; C132-Q134 PolarHBondContact O-N 3.39Å; C132-I135 PolarHBondContact O-N 2.94Å; C132-I136 WeakPolarHBondContact O-CD1 3.25Å; C132-I136 VanDerWaalsContact O-CG1 3.23Å; C132-I136 WeakPolarHBondContact O-CG1 3.46Å; C132-I136 PolarHBondContact O-N 2.84Å
133M93Very high88.7Confident57 Ų5735.6 Ų35.628%0.28121%0.212SC..Hα-helixtrans-58.7-42.3170.9178.1-171.8172.500111.9N130 V131 N137 L160N130-M133 HydrophobicContact CB-CB 3.98Å; N130-M133 WeakPolarHBondContact O-CB 3.3Å; N130-M133 PolarHBondContact O-N 3.08Å; N130-M133 PolarHBondContact OD1-N 3.31Å; V131-M133 VanDerWaalsContact C-N 3.34Å; V131-M133 PolarHBondContact O-N 2.92Å; M133-N137 VanDerWaalsContact CG-ND2 3.27Å; M133-N137 WeakPolarHBondContact CG-ND2 3.23Å; M133-N137 WeakPolarHBondContact O-CB 3.25Å; M133-N137 PolarHBondContact O-N 2.9Å; M133-N137 PolarHBondContact O-ND2 2.9Å; M133-L160 HydrophobicContact CB-CD2 4.13Å; M133-L160 HydrophobicContact SD-CD1 3.81Å
134Q93.1Very high88.3Confident28 Ų2836.4 Ų36.413%0.13122%0.216CC..Hα-helixtrans-63.9-45.3177.7-67.3175.870.600111.5W125 N126 S129 N130 V131 C132 N137 F138W125-Q134 HydrophobicContact CD2-CB 4.42Å; W125-Q134 HydrophobicContact CE3-CB 3.6Å; W125-Q134 HydrophobicContact CZ3-CB 4Å; N126-Q134 PolarHBondContact O-NE2 2.74Å; S129-Q134 PolarHBondContact O-NE2 3.49Å; S129-Q134 WeakPolarHBondContact OG-CG 3.42Å; S129-Q134 PolarHBondContact OG-NE2 3.37Å; N130-Q134 WeakPolarHBondContact O-CG 3.48Å; N130-Q134 PolarHBondContact O-N 2.87Å; V131-Q134 WeakPolarHBondContact O-CB 3.18Å; V131-Q134 PolarHBondContact O-N 2.87Å; C132-Q134 VanDerWaalsContact C-N 3.32Å; C132-Q134 PolarHBondContact O-N 3.39Å; Q134-N137 PolarHBondContact O-N 2.82Å; Q134-F138 WeakPolarHBondContact O-CB 3.34Å; Q134-F138 PolarHBondContact O-N 3.31Å
135I93.8Very high87.9Confident0 Ų039.8 Ų39.80%023%0.229CC..Hα-helixtrans-57.6-52.4176.2-67.8163000110.3A51 L52 W106 W125 V131 C132 N137 F138 I139A51-I135 HydrophobicContact CB-CG2 3.94Å; L52-I135 HydrophobicContact CD2-CB 3.94Å; L52-I135 HydrophobicContact CD2-CD1 3.82Å; L52-I135 HydrophobicContact CD2-CG1 4.47Å; L52-I135 HydrophobicContact CD2-CG2 3.73Å; L52-I135 HydrophobicContact CG-CG2 4.12Å; W106-I135 HydrophobicContact CH2-CG2 4.08Å; W106-I135 HydrophobicContact CZ3-CG2 4.48Å; W125-I135 HydrophobicContact CD2-CG1 4.1Å; W125-I135 VanDerWaalsContact CE2-CG1 3.44Å; W125-I135 HydrophobicContact CE3-CG1 4.45Å; W125-I135 HydrophobicContact CH2-CB 4.3Å; W125-I135 HydrophobicContact CH2-CG1 3.69Å; W125-I135 HydrophobicContact CZ2-CB 4.28Å; W125-I135 HydrophobicContact CZ2-CD1 4.19Å; W125-I135 HydrophobicContact CZ2-CG1 3.25Å; W125-I135 HydrophobicContact CZ3-CG1 4.25Å; V131-I135 HydrophobicContact CG1-CD1 3.91Å; V131-I135 HydrophobicContact CG1-CG1 4.44Å; V131-I135 WeakPolarHBondContact O-CG1 3.41Å; V131-I135 PolarHBondContact O-N 3.03Å; C132-I135 PolarHBondContact O-N 2.94Å; I135-N137 PolarHBondContact O-N 2.98Å; I135-F138 WeakPolarHBondContact O-CB 3.43Å; I135-F138 PolarHBondContact O-N 3.18Å; I135-F138 VanDerWaalsContact O-N 3.16Å; I135-I139 HydrophobicContact CG2-CG1 4.42Å; I135-I139 WeakPolarHBondContact O-CG1 3.39Å; I135-I139 PolarHBondContact O-N 3.33Å
136I94.2Very high87.5Confident0 Ų039.4 Ų39.40%023%0.228CC..Hα-helixtrans-62.2-44.5-178.7-64.3163.2000111H9 V11 L48 L52 L77 C132 F138 I139 L140H9-I136 VanDerWaalsContact CE1-CD1 3.42Å; H9-I136 WeakPolarHBondContact CE1-CD1 3.42Å; V11-I136 HydrophobicContact CG1-CG2 4.31Å; V11-I136 HydrophobicContact CG2-CD1 3.69Å; V11-I136 HydrophobicContact CG2-CG2 4.08Å; L48-I136 HydrophobicContact CD1-CG1 4.3Å; L48-I136 HydrophobicContact CD1-CG2 4.27Å; L48-I136 HydrophobicContact CD2-CB 4.32Å; L48-I136 HydrophobicContact CD2-CG1 4Å; L48-I136 HydrophobicContact CD2-CG2 4.26Å; L52-I136 HydrophobicContact CD1-CG1 4.38Å; L77-I136 HydrophobicContact CD1-CD1 4.38Å; L77-I136 HydrophobicContact CD2-CD1 3.53Å; L77-I136 HydrophobicContact CD2-CG1 4.45Å; C132-I136 WeakPolarHBondContact O-CD1 3.25Å; C132-I136 VanDerWaalsContact O-CG1 3.23Å; C132-I136 WeakPolarHBondContact O-CG1 3.46Å; C132-I136 PolarHBondContact O-N 2.84Å; I136-F138 VanDerWaalsContact C-N 3.27Å; I136-F138 PolarHBondContact O-N 3.18Å; I136-I139 PolarHBondContact O-N 3Å; I136-L140 HydrophobicContact CG2-CD1 3.56Å; I136-L140 HydrophobicContact CG2-CG 3.98Å; I136-L140 WeakPolarHBondContact O-CB 3.41Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 2.98Å
137N93.1Very high86.8Confident23 Ų2336 Ų3612%0.12321%0.212CC..Hα-helixtrans-62.6-35.5177.5-82-67.6000112.4M133 Q134 I135 G141 K154 W156 H158M133-N137 VanDerWaalsContact CG-ND2 3.27Å; M133-N137 WeakPolarHBondContact CG-ND2 3.23Å; M133-N137 WeakPolarHBondContact O-CB 3.25Å; M133-N137 PolarHBondContact O-N 2.9Å; M133-N137 PolarHBondContact O-ND2 2.9Å; Q134-N137 PolarHBondContact O-N 2.82Å; I135-N137 PolarHBondContact O-N 2.98Å; N137-G141 WeakPolarHBondContact O-CA 3.27Å; N137-G141 PolarHBondContact O-N 3.24Å; N137-K154 PolarHBondContact OD1-NZ 2.91Å; N137-W156 PolarHBondContact OD1-NE1 3.08Å; N137-W156 VanDerWaalsContact OD1-NE1 3.07Å; N137-H158 PolarHBondContact ND2-NE2 3.04Å; N137-H158 PolarHBondContact OD1-NE2 3.05Å
138F91.8Very high86.1Confident30 Ų3033 Ų3313%0.13219%0.191CC..Hα-helixtrans-66-48.7174.6176.5-98.7000111.2W106 K109 W125 Q134 I135 I136 E142 K143W106-F138 AromaticContact CE3-CD1 3.94Å; W106-F138 HydrophobicContact CE3-CD1 3.94Å; W106-F138 AromaticContact CE3-CE1 3.72Å; W106-F138 HydrophobicContact CE3-CE1 3.72Å; W106-F138 AromaticContact CZ3-CD1 3.93Å; W106-F138 HydrophobicContact CZ3-CD1 3.93Å; W106-F138 HydrophobicContact CZ3-CE1 4.19Å; W106-F138 WeakPolarHBondContact O-CZ 3.23Å; K109-F138 HydrophobicContact CB-CE2 4.18Å; K109-F138 HydrophobicContact CB-CZ 3.99Å; K109-F138 HydrophobicContact CD-CE2 4.44Å; K109-F138 HydrophobicContact CG-CD2 3.78Å; K109-F138 HydrophobicContact CG-CE1 4.36Å; K109-F138 HydrophobicContact CG-CE2 3.28Å; K109-F138 HydrophobicContact CG-CG 4.5Å; K109-F138 HydrophobicContact CG-CZ 3.61Å; W125-F138 HydrophobicContact CH2-CB 4.32Å; W125-F138 HydrophobicContact CZ3-CB 4.37Å; Q134-F138 WeakPolarHBondContact O-CB 3.34Å; Q134-F138 PolarHBondContact O-N 3.31Å; I135-F138 WeakPolarHBondContact O-CB 3.43Å; I135-F138 PolarHBondContact O-N 3.18Å; I135-F138 VanDerWaalsContact O-N 3.16Å; I136-F138 VanDerWaalsContact C-N 3.27Å; I136-F138 PolarHBondContact O-N 3.18Å; F138-E142 HydrophobicContact CD2-CB 3.86Å; F138-E142 HydrophobicContact CD2-CG 3.83Å; F138-E142 HydrophobicContact CE2-CB 3.85Å; F138-E142 HydrophobicContact CE2-CG 4.11Å; F138-E142 WeakPolarHBondContact O-CA 3.41Å; F138-E142 VanDerWaalsContact O-CB 3.3Å; F138-E142 WeakPolarHBondContact O-CB 3.36Å; F138-E142 PolarHBondContact O-N 2.64Å; F138-K143 PolarHBondContact O-N 3.41Å
139I91.9Very high85.5Confident0 Ų037.6 Ų37.60%020%0.199CC..Iπ-helixtrans-62.8-51.1180-63.4-63.4000111.3L47 L48 A51 F105 W106 I135 I136 K143 L144L47-I139 HydrophobicContact CD2-CG2 3.5Å; L47-I139 VanDerWaalsContact CD2-CG2 3.5Å; L47-I139 HydrophobicContact CG-CG2 3.88Å; L48-I139 HydrophobicContact CD2-CB 3.88Å; L48-I139 HydrophobicContact CD2-CG1 4.2Å; L48-I139 HydrophobicContact CD2-CG2 3.85Å; A51-I139 HydrophobicContact CB-CD1 3.85Å; A51-I139 HydrophobicContact CB-CG1 3.78Å; F105-I139 HydrophobicContact CE1-CD1 4.03Å; F105-I139 HydrophobicContact CZ-CD1 4.1Å; W106-I139 HydrophobicContact CZ3-CD1 4.21Å; I135-I139 HydrophobicContact CG2-CG1 4.42Å; I135-I139 WeakPolarHBondContact O-CG1 3.39Å; I135-I139 PolarHBondContact O-N 3.33Å; I136-I139 PolarHBondContact O-N 3Å; I139-K143 HydrophobicContact CD1-CD 3.95Å; I139-K143 WeakPolarHBondContact O-CB 3.33Å; I139-K143 PolarHBondContact O-N 2.76Å; I139-L144 PolarHBondContact O-N 3.31Å
140L90.9Very high84.3Confident0 Ų039.7 Ų39.70%021%0.209CC..Iπ-helixtrans-69.5-41.7-178.4-61.4-178.8000112V11 F13 V44 I136 L144 F146 W156V11-L140 HydrophobicContact CG1-CD1 4.2Å; F13-L140 HydrophobicContact CE1-CD1 4.03Å; F13-L140 HydrophobicContact CZ-CD1 4.45Å; V44-L140 HydrophobicContact CG1-CD2 3.6Å; I136-L140 HydrophobicContact CG2-CD1 3.56Å; I136-L140 HydrophobicContact CG2-CG 3.98Å; I136-L140 WeakPolarHBondContact O-CB 3.41Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 2.98Å; L140-L144 HydrophobicContact CD2-CD1 4.24Å; L140-F146 HydrophobicContact CB-CD2 4.17Å; L140-F146 HydrophobicContact CD2-CD2 3.89Å; L140-F146 HydrophobicContact CD2-CE2 3.9Å; L140-F146 VanDerWaalsContact O-CB 3.22Å; L140-F146 WeakPolarHBondContact O-CB 2.87Å; L140-F146 PolarHBondContact O-N 3.22Å; L140-W156 HydrophobicContact CB-CD2 4.3Å; L140-W156 HydrophobicContact CB-CE3 4.32Å; L140-W156 HydrophobicContact CB-CH2 3.68Å; L140-W156 HydrophobicContact CB-CZ2 3.6Å; L140-W156 HydrophobicContact CB-CZ3 4.05Å; L140-W156 HydrophobicContact CD1-CD2 3.72Å; L140-W156 HydrophobicContact CD1-CE3 4.26Å; L140-W156 HydrophobicContact CD1-CG 3.89Å; L140-W156 HydrophobicContact CD1-CZ2 4.3Å
141G88.3Confident82.7Confident6 Ų647.6 Ų47.66%0.06225%0.251CS..Iπ-helixtrans-84.4-45-172.200000114.5N137 H145 S147N137-G141 WeakPolarHBondContact O-CA 3.27Å; N137-G141 PolarHBondContact O-N 3.24Å; G141-H145 WeakPolarHBondContact O-CA 3.46Å; G141-S147 VanDerWaalsContact CA-OG 3.3Å; G141-S147 WeakPolarHBondContact CA-OG 3.13Å
142E84.3Confident81.2Confident126 Ų12650.7 Ų50.759%0.58927%0.27SS*.Iπ-helixtrans-100.2-36.2-171.8-60.5-67.6130.600112.7F138 H145F138-E142 HydrophobicContact CD2-CB 3.86Å; F138-E142 HydrophobicContact CD2-CG 3.83Å; F138-E142 HydrophobicContact CE2-CB 3.85Å; F138-E142 HydrophobicContact CE2-CG 4.11Å; F138-E142 WeakPolarHBondContact O-CA 3.41Å; F138-E142 VanDerWaalsContact O-CB 3.3Å; F138-E142 WeakPolarHBondContact O-CB 3.36Å; F138-E142 PolarHBondContact O-N 2.64Å; E142-H145 PolarHBondContact O-CE1 3.37Å; E142-H145 PolarHBondContact O-ND1 2.87Å
143K84.2Confident80.2Confident64 Ų6454.7 Ų54.728%0.27830%0.298SS..Iπ-helixtrans-87.2-46.6-176.8-176.2172-177.4159.20113.1F105 F138 I139 H145F105-K143 PolarHBondContact O-NZ 3.42Å; F138-K143 PolarHBondContact O-N 3.41Å; I139-K143 HydrophobicContact CD1-CD 3.95Å; I139-K143 WeakPolarHBondContact O-CB 3.33Å; I139-K143 PolarHBondContact O-N 2.76Å; K143-H145 VanDerWaalsContact C-N 3.34Å
144L85.4Confident79.6Confident16 Ų1656.9 Ų56.98%0.08431%0.306CS..SBendtrans-92.61.7176.6-61.7178.8000113L23 E26 V44 L47 I139 L140 F146L23-L144 HydrophobicContact CD1-CD2 4.42Å; E26-L144 VanDerWaalsContact OE1-C 3.28Å; E26-L144 WeakPolarHBondContact OE2-CA 3.48Å; E26-L144 WeakPolarHBondContact OE2-CD2 3.49Å; V44-L144 HydrophobicContact CG2-CD1 4.27Å; L47-L144 HydrophobicContact CD2-CD1 3.87Å; L47-L144 HydrophobicContact CD2-CD2 3.82Å; L47-L144 HydrophobicContact CD2-CG 3.92Å; I139-L144 PolarHBondContact O-N 3.31Å; L140-L144 HydrophobicContact CD2-CD1 4.24Å; L144-F146 HydrophobicContact CB-CD1 3.91Å; L144-F146 HydrophobicContact CB-CD2 4.17Å; L144-F146 HydrophobicContact CB-CE1 3.72Å; L144-F146 HydrophobicContact CB-CE2 3.98Å; L144-F146 HydrophobicContact CB-CG 4.13Å; L144-F146 HydrophobicContact CB-CZ 3.76Å; L144-F146 HydrophobicContact CD1-CD2 4.28Å; L144-F146 HydrophobicContact CD1-CE1 4.36Å; L144-F146 HydrophobicContact CD1-CE2 3.49Å; L144-F146 VanDerWaalsContact CD1-CE2 3.49Å; L144-F146 HydrophobicContact CD1-CZ 3.54Å; L144-F146 HydrophobicContact CG-CE2 4.39Å; L144-F146 HydrophobicContact CG-CZ 4.22Å; L144-F146 WeakPolarHBondContact O-CD1 3.46Å; L144-F146 PolarHBondContact O-N 2.67Å
145H83.5Confident79.4Confident113 Ų11355.9 Ų55.952%0.52330%0.302SS..  trans48.831.9-179.7-60.3-66.4000114.6K22 E26 G141 E142 K143 S147K22-H145 PolarHBondContact NZ-O 3.39Å; E26-H145 IonicContact OE1-CD2 3.56Å; G141-H145 WeakPolarHBondContact O-CA 3.46Å; E142-H145 PolarHBondContact O-CE1 3.37Å; E142-H145 PolarHBondContact O-ND1 2.87Å; K143-H145 VanDerWaalsContact C-N 3.34Å; H145-S147 PolarHBondContact O-N 3.35Å
146F83.4Confident79.2Confident0 Ų056.1 Ų56.10%030%0.303CS..  trans-71.4-14.1-179.4-64.2-20.1000112.9Y18 I19 K22 L23 V44 L140 L144 S148 P155 W156Y18-F146 WeakPolarHBondContact CE1-O 3.37Å; I19-F146 HydrophobicContact CG1-CD2 4.37Å; I19-F146 HydrophobicContact CG2-CD2 3.92Å; I19-F146 HydrophobicContact CG2-CE1 4.11Å; I19-F146 HydrophobicContact CG2-CE2 3.46Å; I19-F146 VanDerWaalsContact CG2-CE2 3.46Å; I19-F146 HydrophobicContact CG2-CG 4.43Å; I19-F146 HydrophobicContact CG2-CZ 3.56Å; K22-F146 HydrophobicContact CB-CD1 3.92Å; K22-F146 HydrophobicContact CB-CE1 4.01Å; K22-F146 HydrophobicContact CD-CD1 4.18Å; L23-F146 HydrophobicContact CB-CE1 4.46Å; L23-F146 HydrophobicContact CB-CZ 4.44Å; L23-F146 HydrophobicContact CD1-CZ 4.25Å; V44-F146 HydrophobicContact CG2-CE2 4.09Å; V44-F146 HydrophobicContact CG2-CZ 4.32Å; L140-F146 HydrophobicContact CB-CD2 4.17Å; L140-F146 HydrophobicContact CD2-CD2 3.89Å; L140-F146 HydrophobicContact CD2-CE2 3.9Å; L140-F146 VanDerWaalsContact O-CB 3.22Å; L140-F146 WeakPolarHBondContact O-CB 2.87Å; L140-F146 PolarHBondContact O-N 3.22Å; L144-F146 HydrophobicContact CB-CD1 3.91Å; L144-F146 HydrophobicContact CB-CD2 4.17Å; L144-F146 HydrophobicContact CB-CE1 3.72Å; L144-F146 HydrophobicContact CB-CE2 3.98Å; L144-F146 HydrophobicContact CB-CG 4.13Å; L144-F146 HydrophobicContact CB-CZ 3.76Å; L144-F146 HydrophobicContact CD1-CD2 4.28Å; L144-F146 HydrophobicContact CD1-CE1 4.36Å; L144-F146 HydrophobicContact CD1-CE2 3.49Å; L144-F146 VanDerWaalsContact CD1-CE2 3.49Å; L144-F146 HydrophobicContact CD1-CZ 3.54Å; L144-F146 HydrophobicContact CG-CE2 4.39Å; L144-F146 HydrophobicContact CG-CZ 4.22Å; L144-F146 WeakPolarHBondContact O-CD1 3.46Å; L144-F146 PolarHBondContact O-N 2.67Å; F146-S148 PolarHBondContact O-N 3.01Å; F146-P155 WeakPolarHBondContact O-CG 3.39Å; F146-W156 HydrophobicContact CB-CE3 4.42Å; F146-W156 HydrophobicContact CB-CH2 4.26Å; F146-W156 HydrophobicContact CB-CZ3 3.58Å
147S72.9Confident79.2Confident39 Ų3957 Ų5727%0.27331%0.307SS..SBendtrans-61.3132.4169.8-62.60000109.9K22 G141 H145K22-S147 PolarHBondContact NZ-O 3.14Å; G141-S147 VanDerWaalsContact CA-OG 3.3Å; G141-S147 WeakPolarHBondContact CA-OG 3.13Å; H145-S147 PolarHBondContact O-N 3.35Å
148S63.9Low79.2Confident45 Ų4556.9 Ų56.932%0.31531%0.305SS..  trans-78.3139.6167.8-176.70000108.6F146 V150F146-S148 PolarHBondContact O-N 3.01Å; S148-V150 PolarHBondContact O-N 3.42Å; S148-V150 PolarHBondContact OG-N 3.19Å
149N59.1Low79.3Confident171 Ų17156.1 Ų56.191%0.91430%0.302SS*.SBendtrans-67.6-14.5172.1-75.7-8.5000112.6
150V56Low79.3Confident96 Ų9657.2 Ų57.258%0.58231%0.308SS*.SBendtrans-83.1148.9179-170.80000108.9S148 V152S148-V150 PolarHBondContact O-N 3.42Å; S148-V150 PolarHBondContact OG-N 3.19Å; V150-V152 HydrophobicContact CB-CG2 3.96Å; V150-V152 HydrophobicContact CG1-CG2 3.83Å; V150-V152 PolarHBondContact O-N 2.85Å
151N53.4Low79.3Confident180 Ų18057.8 Ų57.896%0.96331%0.312SS*.SBendtrans-53.719.8173.2-81.5-18.6000116.1
152V58.1Low79.3Confident71 Ų7160.8 Ų60.843%0.4333%0.326SS..PPolyproline II helixtrans-74.8143.2175-172.90000108.9V150V150-V152 HydrophobicContact CB-CG2 3.96Å; V150-V152 HydrophobicContact CG1-CG2 3.83Å; V150-V152 PolarHBondContact O-N 2.85Å
153S69.9Low79.7Confident84 Ų8458.5 Ų58.559%0.58731%0.312SS*.PPolyproline II helixtrans-51.8145.916957.80000111
154K81.2Confident80.1Confident103 Ų10355.4 Ų55.445%0.44830%0.299SS..PPolyproline II helixtrans-49.3139.7174.4-68-178.6174.6-174.90110.3N137 W156N137-K154 PolarHBondContact OD1-NZ 2.91Å; K154-W156 WeakPolarHBondContact CB-O 3.5Å; K154-W156 HydrophobicContact CD-CZ2 4.27Å; K154-W156 PolarHBondContact O-N 2.89Å; K154-W156 VanDerWaalsContact O-N 3.1Å
155P87.2Confident80.4Confident7 Ų756.8 Ų56.85%0.04531%0.306CS..SBendtrans-70.9-3.5-179.823.2-25.6000113.3F13 Q14 K15 Y18 I19 F146F13-P155 CarbonylContact C-O 3.54Å; Q14-P155 PolarHBondContact N-O 3.16Å; K15-P155 HydrophobicContact CB-CB 4.46Å; Y18-P155 HydrophobicContact CD1-CB 4.17Å; Y18-P155 HydrophobicContact CD1-CG 4.15Å; Y18-P155 HydrophobicContact CE1-CG 4.11Å; I19-P155 HydrophobicContact CD1-CB 4.45Å; F146-P155 WeakPolarHBondContact O-CG 3.39Å
156W91.2Very high80.7Confident4 Ų453.3 Ų53.32%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-130.4162.11716894000111.7V11 I12 F13 N137 L140 F146 K154 H158V11-W156 HydrophobicContact CG1-CB 4.26Å; V11-W156 HydrophobicContact CG1-CG 4.37Å; I12-W156 CarbonylContact O-C 3.56Å; I12-W156 WeakPolarHBondContact O-CA 3.26Å; I12-W156 WeakPolarHBondContact O-CB 3.34Å; F13-W156 HydrophobicContact CD1-CB 3.64Å; F13-W156 HydrophobicContact CE1-CB 3.93Å; N137-W156 PolarHBondContact OD1-NE1 3.08Å; N137-W156 VanDerWaalsContact OD1-NE1 3.07Å; L140-W156 HydrophobicContact CB-CD2 4.3Å; L140-W156 HydrophobicContact CB-CE3 4.32Å; L140-W156 HydrophobicContact CB-CH2 3.68Å; L140-W156 HydrophobicContact CB-CZ2 3.6Å; L140-W156 HydrophobicContact CB-CZ3 4.05Å; L140-W156 HydrophobicContact CD1-CD2 3.72Å; L140-W156 HydrophobicContact CD1-CE3 4.26Å; L140-W156 HydrophobicContact CD1-CG 3.89Å; L140-W156 HydrophobicContact CD1-CZ2 4.3Å; F146-W156 HydrophobicContact CB-CE3 4.42Å; F146-W156 HydrophobicContact CB-CH2 4.26Å; F146-W156 HydrophobicContact CB-CZ3 3.58Å; K154-W156 WeakPolarHBondContact CB-O 3.5Å; K154-W156 HydrophobicContact CD-CZ2 4.27Å; K154-W156 PolarHBondContact O-N 2.89Å; K154-W156 VanDerWaalsContact O-N 3.1Å; W156-H158 AromaticContact CD1-NE2 3.61Å; W156-H158 AromaticContact NE1-NE2 3.52Å
157Y93.2Very high81.1Confident19 Ų1953.3 Ų53.38%0.07529%0.294CS..EExtended strand (participates in β ladder)trans-141.2169.5168.160.9-87000110.6I12 Q14 V590 N592I12-Y157 HydrophobicContact CB-CD2 4.43Å; I12-Y157 HydrophobicContact CB-CE1 3.9Å; I12-Y157 HydrophobicContact CB-CE2 3.79Å; I12-Y157 VanDerWaalsContact CB-CZ 3.48Å; I12-Y157 WeakPolarHBondContact CB-OH 3.46Å; I12-Y157 HydrophobicContact CD1-CE2 3.78Å; I12-Y157 HydrophobicContact CG1-CE2 4.19Å; I12-Y157 HydrophobicContact CG2-CE1 3.93Å; I12-Y157 HydrophobicContact CG2-CE2 4.4Å; I12-Y157 WeakPolarHBondContact CG2-OH 3.41Å; I12-Y157 PolarHBondContact N-O 3.13Å; I12-Y157 PolarHBondContact O-N 3.02Å; Q14-Y157 HydrophobicContact CG-CD1 3.64Å; Q14-Y157 HydrophobicContact CG-CE1 3.48Å; Q14-Y157 VanDerWaalsContact CG-CE1 3.48Å; Y157-V590 PolarHBondContact OH-O 2.66Å; Y157-N592 WeakPolarHBondContact CB-ND2 3.4Å; Y157-N592 HydrophobicContact CD1-CB 4.29Å; Y157-N592 HydrophobicContact CD2-CB 3.47Å; Y157-N592 VanDerWaalsContact CD2-CB 3.47Å; Y157-N592 HydrophobicContact CE1-CB 4.37Å; Y157-N592 HydrophobicContact CE2-CB 3.56Å; Y157-N592 HydrophobicContact CG-CB 3.86Å
158H93.9Very high82.1Confident21 Ų2151.7 Ų51.710%0.09728%0.282CS..EExtended strand (participates in β ladder)trans-116133.7-176.1-59.5-88.4000110.8H9 L10 N137 W156 L160H9-H158 AromaticContact CE1-ND1 3.47Å; H9-H158 PolarHBondContact CE1-ND1 3.35Å; H9-H158 WeakPolarHBondContact NE2-CB 3.27Å; H9-H158 AromaticContact NE2-CG 3.52Å; H9-H158 AromaticContact NE2-ND1 2.93Å; H9-H158 PolarHBondContact NE2-ND1 3.31Å; L10-H158 CarbonylContact O-C 3.59Å; L10-H158 WeakPolarHBondContact O-CA 3.27Å; N137-H158 PolarHBondContact ND2-NE2 3.04Å; N137-H158 PolarHBondContact OD1-NE2 3.05Å; W156-H158 AromaticContact CD1-NE2 3.61Å; W156-H158 AromaticContact NE1-NE2 3.52Å; H158-L160 HydrophobicContact CB-CD2 4.21Å; H158-L160 HydrophobicContact CB-CG 4.14Å
159L94.2Very high83.2Confident13 Ų1351.5 Ų51.57%0.06828%0.281CS..EExtended strand (participates in β ladder)trans-100.8104.2160.6172.459.8000107.8V4 H9 L10 R163 L589V4-L159 HydrophobicContact CG1-CD2 4.19Å; V4-L159 HydrophobicContact CG2-CD2 4.47Å; H9-L159 WeakPolarHBondContact CA-O 3.38Å; H9-L159 PolarHBondContact CD2-O 2.85Å; L10-L159 HydrophobicContact CB-CB 4.18Å; L10-L159 HydrophobicContact CD1-CD2 4.02Å; L10-L159 PolarHBondContact N-O 3.28Å; L10-L159 PolarHBondContact O-N 3.01Å; L159-R163 HydrophobicContact CD1-CB 4.37Å; L159-R163 HydrophobicContact CD1-CG 4.37Å; L159-L589 HydrophobicContact CD1-CB 3.91Å; L159-L589 HydrophobicContact CD1-CD2 3.77Å; L159-L589 HydrophobicContact CD1-CG 4.27Å; L159-L589 HydrophobicContact CD2-CB 4.1Å
160L92.3Very high84.5Confident24 Ų2444.2 Ų44.213%0.12624%0.242CC..  trans-93.5155.7-175.6-65.1173.6000112.1H9 N130 M133 H158 N162 R163H9-L160 VanDerWaalsContact NE2-CD2 3.34Å; H9-L160 WeakPolarHBondContact NE2-CD2 3.48Å; N130-L160 HydrophobicContact CB-CD1 4.26Å; N130-L160 HydrophobicContact CB-CD2 4.31Å; M133-L160 HydrophobicContact CB-CD2 4.13Å; M133-L160 HydrophobicContact SD-CD1 3.81Å; H158-L160 HydrophobicContact CB-CD2 4.21Å; H158-L160 HydrophobicContact CB-CG 4.14Å; L160-N162 WeakPolarHBondContact CB-OD1 3.45Å; L160-N162 PolarHBondContact O-N 3.43Å; L160-R163 WeakPolarHBondContact O-CB 3.44Å; L160-R163 PolarHBondContact O-N 3.1Å
161P89.7Confident85.4Confident12 Ų1240 Ų408%0.07822%0.216CC..THydrogen-bonded Turntrans-67.4-22178.725.3-31.8000113.3D8 Y79 V495D8-P161 VanDerWaalsContact O-CD 3.26Å; D8-P161 WeakPolarHBondContact O-CD 3.42Å; Y79-P161 HydrophobicContact CD2-CG 4.22Å; Y79-P161 HydrophobicContact CE2-CG 3.61Å; P161-V495 WeakPolarHBondContact O-CG2 3.27Å
162N88.5Confident86.1Confident68 Ų6835 Ų3536%0.36418%0.184SC..THydrogen-bonded Turntrans-93.914.8179.169.1-16.4000113.7L160 L164 D165L160-N162 WeakPolarHBondContact CB-OD1 3.45Å; L160-N162 PolarHBondContact O-N 3.43Å; N162-L164 PolarHBondContact O-N 3.48Å; N162-L164 VanDerWaalsContact O-N 3.1Å; N162-D165 WeakPolarHBondContact CA-OD1 3.49Å; N162-D165 WeakPolarHBondContact CB-OD2 3.5Å; N162-D165 WeakPolarHBondContact O-CB 3.47Å; N162-D165 PolarHBondContact O-N 3.33Å
163R91.9Very high86.1Confident78 Ų7838 Ų3829%0.29419%0.187SC..THydrogen-bonded Turntrans-60.4-26.1-172.8-176.455.9-177.7179.2-2.2113.5L159 L160 V495 L589 A593 L598L159-R163 HydrophobicContact CD1-CB 4.37Å; L159-R163 HydrophobicContact CD1-CG 4.37Å; L160-R163 WeakPolarHBondContact O-CB 3.44Å; L160-R163 PolarHBondContact O-N 3.1Å; R163-V495 HydrophobicContact CB-CG2 4.37Å; R163-L589 HydrophobicContact CB-CD2 4.48Å; R163-L589 HydrophobicContact CG-CD2 3.79Å; R163-A593 PolarHBondContact NH2-O 3.2Å; R163-L598 HydrophobicContact CG-CD1 4.29Å
164L93.8Very high85.2Confident0 Ų038.3 Ų38.30%018%0.182CC..THydrogen-bonded Turntrans-101.3-3.4-177.2-59179000113.9N162 P166 F167 L402 V495 F498 L585 L598N162-L164 PolarHBondContact O-N 3.48Å; N162-L164 VanDerWaalsContact O-N 3.1Å; L164-P166 VanDerWaalsContact C-N 3.27Å; L164-P166 VanDerWaalsContact O-N 3.13Å; L164-F167 HydrophobicContact CB-CD2 4.12Å; L164-F167 HydrophobicContact CD2-CD2 4.01Å; L164-F167 HydrophobicContact CD2-CE2 3.71Å; L164-F167 VanDerWaalsContact O-CD2 3.28Å; L164-F167 WeakPolarHBondContact O-CD2 3.38Å; L164-F167 PolarHBondContact O-N 2.8Å; L164-L402 HydrophobicContact CB-CD1 3.98Å; L164-L402 HydrophobicContact CB-CD2 3.68Å; L164-L402 HydrophobicContact CD1-CD1 4.19Å; L164-V495 HydrophobicContact CD1-CG1 4.44Å; L164-V495 HydrophobicContact CD1-CG2 4.04Å; L164-V495 HydrophobicContact CG-CG2 3.98Å; L164-F498 HydrophobicContact CD1-CD1 3.79Å; L164-F498 HydrophobicContact CD1-CE1 4.32Å; L164-L585 HydrophobicContact CD1-CD2 4.15Å; L164-L585 HydrophobicContact CD2-CD1 4.22Å; L164-L598 HydrophobicContact CD2-CD1 4.12Å
165D90.7Very high83.8Confident44 Ų4442.3 Ų42.324%0.23519%0.194CC..G310 helixtrans-51.8-34179.1-70.919.4000114.9N162 F167 I168 S169N162-D165 WeakPolarHBondContact CA-OD1 3.49Å; N162-D165 WeakPolarHBondContact CB-OD2 3.5Å; N162-D165 WeakPolarHBondContact O-CB 3.47Å; N162-D165 PolarHBondContact O-N 3.33Å; D165-F167 PolarHBondContact O-N 2.88Å; D165-F167 VanDerWaalsContact O-N 3.13Å; D165-I168 VanDerWaalsContact O-CG1 3.25Å; D165-I168 WeakPolarHBondContact O-CG1 3.4Å; D165-I168 PolarHBondContact O-N 3.43Å; D165-I168 VanDerWaalsContact O-N 3.14Å; D165-S169 WeakPolarHBondContact O-CB 3.36Å; D165-S169 PolarHBondContact O-N 3.18Å; D165-S169 VanDerWaalsContact O-N 3.13Å; D165-S169 PolarHBondContact O-OG 3.42Å
166P90.4Very high82Confident40 Ų4047.9 Ų47.926%0.2622%0.218SC..G310 helixtrans-55.9-30.7176.5-28.437.1000113.9L164 I168 H171 I595 V631L164-P166 VanDerWaalsContact C-N 3.27Å; L164-P166 VanDerWaalsContact O-N 3.13Å; P166-I168 VanDerWaalsContact C-N 3.31Å; P166-I168 PolarHBondContact O-N 3.35Å; P166-H171 PolarHBondContact O-CE1 3.1Å; P166-H171 PolarHBondContact O-NE2 3.09Å; P166-I595 HydrophobicContact CB-CD1 4.38Å; P166-I595 HydrophobicContact CB-CG1 4.39Å; P166-I595 HydrophobicContact CG-CD1 4.2Å; P166-I595 HydrophobicContact CG-CG1 4.43Å; P166-V631 HydrophobicContact CB-CG1 3.89Å
167F92.6Very high80.2Confident1 Ų148.9 Ų48.90%0.00422%0.224CC..G310 helixtrans-73.9-19.7-178.1-59.8-63.2000114.2L164 D165 R405 I595 L598 L599 F602 L628 V631L164-F167 HydrophobicContact CB-CD2 4.12Å; L164-F167 HydrophobicContact CD2-CD2 4.01Å; L164-F167 HydrophobicContact CD2-CE2 3.71Å; L164-F167 VanDerWaalsContact O-CD2 3.28Å; L164-F167 WeakPolarHBondContact O-CD2 3.38Å; L164-F167 PolarHBondContact O-N 2.8Å; D165-F167 PolarHBondContact O-N 2.88Å; D165-F167 VanDerWaalsContact O-N 3.13Å; F167-R405 PolarHBondContact O-NE 3.37Å; F167-I595 HydrophobicContact CD2-CD1 4.39Å; F167-I595 HydrophobicContact CE1-CD1 4.33Å; F167-I595 HydrophobicContact CE2-CD1 3.46Å; F167-I595 VanDerWaalsContact CE2-CD1 3.46Å; F167-I595 HydrophobicContact CE2-CG1 4.48Å; F167-I595 HydrophobicContact CZ-CD1 3.43Å; F167-I595 VanDerWaalsContact CZ-CD1 3.43Å; F167-I595 HydrophobicContact CZ-CG1 4.01Å; F167-L598 HydrophobicContact CE2-CB 4.1Å; F167-L598 HydrophobicContact CZ-CB 3.81Å; F167-L599 HydrophobicContact CD1-CD2 4.04Å; F167-L599 HydrophobicContact CE1-CD2 3.45Å; F167-L599 VanDerWaalsContact CE1-CD2 3.45Å; F167-L599 HydrophobicContact CE1-CG 3.77Å; F167-L599 HydrophobicContact CZ-CG 4.43Å; F167-F602 HydrophobicContact CB-CE1 4.48Å; F167-F602 HydrophobicContact CB-CE2 4.06Å; F167-F602 HydrophobicContact CB-CZ 3.98Å; F167-F602 AromaticContact CD1-CD2 3.86Å; F167-F602 HydrophobicContact CD1-CD2 3.86Å; F167-F602 AromaticContact CD1-CE2 3.88Å; F167-F602 HydrophobicContact CD1-CE2 3.88Å; F167-F602 HydrophobicContact CD2-CD2 4.2Å; F167-F602 AromaticContact CD2-CE2 3.41Å; F167-F602 HydrophobicContact CD2-CE2 3.41Å; F167-F602 VanDerWaalsContact CD2-CE2 3.41Å; F167-F602 AromaticContact CD2-CZ 3.97Å; F167-F602 HydrophobicContact CD2-CZ 3.97Å; F167-F602 HydrophobicContact CE1-CD2 4.04Å; F167-F602 HydrophobicContact CE1-CE2 4.2Å; F167-F602 HydrophobicContact CE2-CD2 4.33Å; F167-F602 AromaticContact CE2-CE2 3.74Å; F167-F602 HydrophobicContact CE2-CE2 3.74Å; F167-F602 AromaticContact CG-CD2 3.97Å; F167-F602 HydrophobicContact CG-CD2 3.97Å; F167-F602 AromaticContact CG-CE2 3.49Å; F167-F602 HydrophobicContact CG-CE2 3.49Å; F167-F602 VanDerWaalsContact CG-CE2 3.49Å; F167-F602 AromaticContact CG-CZ 3.93Å; F167-F602 HydrophobicContact CG-CZ 3.93Å; F167-F602 HydrophobicContact CZ-CD2 4.25Å; F167-F602 HydrophobicContact CZ-CE2 4.13Å; F167-L628 HydrophobicContact CD1-CD2 3.99Å; F167-V631 HydrophobicContact CD1-CG1 4.39Å; F167-V631 HydrophobicContact CD1-CG2 4.04Å; F167-V631 HydrophobicContact CE1-CG1 4.13Å; F167-V631 HydrophobicContact CE1-CG2 4.47Å
168I92.3Very high78.5Confident4 Ų448.1 Ų48.12%0.02122%0.222CC..G310 helixtrans-113.54.5-18058.8168000112.5D165 P166 F225 I398 R401 L402 R405D165-I168 VanDerWaalsContact O-CG1 3.25Å; D165-I168 WeakPolarHBondContact O-CG1 3.4Å; D165-I168 PolarHBondContact O-N 3.43Å; D165-I168 VanDerWaalsContact O-N 3.14Å; P166-I168 VanDerWaalsContact C-N 3.31Å; P166-I168 PolarHBondContact O-N 3.35Å; I168-F225 WeakPolarHBondContact O-CD1 3.43Å; I168-F225 WeakPolarHBondContact O-CE1 3.1Å; I168-I398 HydrophobicContact CD1-CG2 3.71Å; I168-R401 HydrophobicContact CB-CB 4.39Å; I168-R401 HydrophobicContact CD1-CB 4.22Å; I168-R401 HydrophobicContact CG2-CB 3.98Å; I168-R401 PolarHBondContact O-NH2 3.15Å; I168-L402 HydrophobicContact CG2-CD2 3.83Å; I168-L402 HydrophobicContact CG2-CG 4.18Å; I168-R405 HydrophobicContact CG2-CB 4.21Å
169S88.8Confident77.4Confident42 Ų4248.2 Ų48.229%0.29422%0.223SC..SBendtrans-93.5142178.6-65.90000111.2D165 H171 K634D165-S169 WeakPolarHBondContact O-CB 3.36Å; D165-S169 PolarHBondContact O-N 3.18Å; D165-S169 VanDerWaalsContact O-N 3.13Å; D165-S169 PolarHBondContact O-OG 3.42Å; S169-H171 PolarHBondContact O-CE1 3.01Å; S169-H171 PolarHBondContact O-ND1 3.4Å; S169-H171 VanDerWaalsContact O-ND1 3.09Å; S169-K634 VanDerWaalsContact CB-NZ 3.33Å
170L84.5Confident76.6Confident17 Ų1748.1 Ų48.19%0.08922%0.223CC..  trans-67.4143.1172.1-68.7172.8000111.1A181 F225 I228 E626 K634L170-A181 HydrophobicContact CD1-CB 4.05Å; L170-F225 HydrophobicContact CD2-CB 4.07Å; L170-F225 HydrophobicContact CD2-CD1 3.62Å; L170-F225 HydrophobicContact CD2-CE1 4.32Å; L170-F225 HydrophobicContact CD2-CG 3.96Å; L170-F225 HydrophobicContact CG-CD1 4.03Å; L170-I228 HydrophobicContact CD1-CG1 4.26Å; L170-E626 HydrophobicContact CD2-CG 3.93Å; L170-K634 WeakPolarHBondContact O-CE 3.42Å; L170-K634 PolarHBondContact O-NZ 3Å
171H76.8Confident76.3Confident8 Ų847.9 Ų47.94%0.03723%0.225CC..  trans-108.4137-178.9-57.387.8000111.3P166 S169 R173 S625 G630 V631 K634P166-H171 PolarHBondContact O-CE1 3.1Å; P166-H171 PolarHBondContact O-NE2 3.09Å; S169-H171 PolarHBondContact O-CE1 3.01Å; S169-H171 PolarHBondContact O-ND1 3.4Å; S169-H171 VanDerWaalsContact O-ND1 3.09Å; H171-R173 PolarHBondContact O-N 2.79Å; H171-S625 WeakPolarHBondContact CB-O 3Å; H171-S625 PolarHBondContact N-O 3.5Å; H171-S625 PolarHBondContact ND1-O 2.78Å; H171-S625 WeakPolarHBondContact O-CA 3.42Å; H171-S625 VanDerWaalsContact O-CB 3.25Å; H171-S625 WeakPolarHBondContact O-CB 3.41Å; H171-G630 PolarHBondContact CD2-O 3.11Å; H171-V631 PolarHBondContact CD2-N 3.47Å; H171-V631 VanDerWaalsContact CE1-CG2 3.49Å; H171-V631 WeakPolarHBondContact CE1-CG2 3.45Å; H171-V631 WeakPolarHBondContact NE2-CA 3.4Å; H171-V631 WeakPolarHBondContact NE2-CG2 3.35Å; H171-V631 PolarHBondContact NE2-N 2.82Å; H171-K634 VanDerWaalsContact CD2-CD 3.41Å; H171-K634 WeakPolarHBondContact CD2-CD 3.49Å; H171-K634 WeakPolarHBondContact CD2-CE 3.28Å; H171-K634 PolarHBondContact CD2-NZ 2.98Å; H171-K634 VanDerWaalsContact CD2-NZ 3.34Å; H171-K634 PolarHBondContact NE2-NZ 3.14Å
172R67.7Low76.3Confident76 Ų7647.6 Ų47.629%0.28722%0.223SC..  trans-72.2122.9174.3-69.9-171-172.6-151.30.4110E641 N643R172-E641 PolarHBondContact NH2-O 3.26Å; R172-N643 PolarHBondContact NH2-OD1 3.35Å
173R56.8Low76.3Confident134 Ų13445.9 Ų45.951%0.50622%0.216SC..SBendtrans-63.4-41.3174.2179-178174.878.65.3111.9H171 N621H171-R173 PolarHBondContact O-N 2.79Å; R173-N621 VanDerWaalsContact NH1-CG 3.28Å; R173-N621 PolarHBondContact NH1-OD1 2.84Å
174N52.4Low76.3Confident89 Ų8945.2 Ų45.248%0.47622%0.222SC..BIsolated β-bridgetrans-151.9152.6-175.1-158.2-17.6000108.1K176 V177N174-K176 PolarHBondContact O-N 3.4Å; N174-V177 PolarHBondContact O-N 2.88Å
175R51.1Low76.1Confident187 Ų18750.5 Ų50.571%0.70625%0.25SC*.THydrogen-bonded Turntrans-56.3-20.2174.3-71-175.3179.6167.6-0.4112.4
176K49.3Very low76.1Confident124 Ų12448.9 Ų48.954%0.53924%0.24SC..THydrogen-bonded Turntrans-94.7-16.5-171.6-57.6-173.6177.2-177.80116N174 W251 L252N174-K176 PolarHBondContact O-N 3.4Å; K176-W251 HydrophobicContact CB-CH2 3.66Å; K176-W251 HydrophobicContact CB-CZ2 4.48Å; K176-W251 HydrophobicContact CB-CZ3 4.01Å; K176-W251 HydrophobicContact CD-CH2 3.76Å; K176-W251 HydrophobicContact CD-CZ2 4.04Å; K176-W251 HydrophobicContact CG-CH2 3.7Å; K176-W251 HydrophobicContact CG-CZ2 4.47Å; K176-W251 HydrophobicContact CG-CZ3 4.44Å; K176-L252 WeakPolarHBondContact O-CD2 3.31Å
177V53.1Low76.3Confident25 Ų2547.2 Ų47.215%0.15223%0.229CC..BIsolated β-bridgetrans-117.6113.2179.71780000108.1N174 A256N174-V177 PolarHBondContact O-N 2.88Å; V177-A256 HydrophobicContact CG1-CB 3.59Å; V177-A256 HydrophobicContact CG2-CB 4.47Å
178S57.2Low76.3Confident4 Ų450.4 Ų50.43%0.02825%0.246CC..  trans-103.8110.4175.7-1690000108.8
179L70.6Confident76.4Confident23 Ų2356.6 Ų56.612%0.1227%0.269CS..  trans-77.1134.9164.7-62.3166.8000107.4I228 F258L179-I228 HydrophobicContact CB-CG2 4.26Å; L179-I228 HydrophobicContact CD1-CD1 4.13Å; L179-I228 HydrophobicContact CD2-CD1 4.33Å; L179-I228 HydrophobicContact CD2-CG2 4.07Å; L179-F258 HydrophobicContact CD2-CB 4.21Å; L179-F258 HydrophobicContact CD2-CD1 3.57Å; L179-F258 HydrophobicContact CD2-CE1 4.06Å; L179-F258 HydrophobicContact CD2-CG 3.9Å
180V78.6Confident76.7Confident10 Ų1054.6 Ų54.66%0.06126%0.255CS..  trans-105.1116.6174-169.20000108.1I228 L229 F231 L648V180-I228 WeakPolarHBondContact O-CA 3.25Å; V180-L229 HydrophobicContact CG1-CD1 4.12Å; V180-L229 PolarHBondContact O-N 2.81Å; V180-F231 HydrophobicContact CB-CE2 4.36Å; V180-F231 HydrophobicContact CB-CZ 4.31Å; V180-F231 HydrophobicContact CG2-CE2 4.15Å; V180-F231 HydrophobicContact CG2-CZ 4.15Å; V180-L648 HydrophobicContact CB-CD1 4.24Å; V180-L648 HydrophobicContact CG1-CD1 3.49Å; V180-L648 VanDerWaalsContact CG1-CD1 3.49Å; V180-L648 HydrophobicContact CG2-CD1 4.3Å
181A85.8Confident77.2Confident20 Ų2054.1 Ų54.117%0.16525%0.252CS..BIsolated β-bridgetrans-76.6139.7169.900000110.4L170 S183 P226L170-A181 HydrophobicContact CD1-CB 4.05Å; A181-S183 PolarHBondContact O-N 2.73Å; A181-P226 HydrophobicContact CB-CB 4.14Å; A181-P226 HydrophobicContact CB-CG 3.51Å
182A89.3Confident78.2Confident5 Ų557.9 Ų57.94%0.04127%0.273CS..PPolyproline II helixtrans-66.8125.3169.800000109.9L187 P227 L229 L319A182-L187 HydrophobicContact CB-CD2 3.95Å; A182-L187 HydrophobicContact CB-CG 4.11Å; A182-P227 HydrophobicContact CB-CG 4.07Å; A182-P227 WeakPolarHBondContact CB-O 3.3Å; A182-P227 PolarHBondContact N-O 2.86Å; A182-L229 HydrophobicContact CB-CD2 3.83Å; A182-L229 HydrophobicContact CB-CG 4.25Å; A182-L319 HydrophobicContact CB-CD2 4.43Å
183S89.7Confident79.5Confident33 Ų3356.8 Ų56.823%0.23127%0.27CS..PPolyproline II helixtrans-70.9158.8169.968.50000111A181 L185 R186 L187 D645A181-S183 PolarHBondContact O-N 2.73Å; S183-L185 PolarHBondContact O-N 3.07Å; S183-R186 WeakPolarHBondContact O-CA 3.35Å; S183-R186 WeakPolarHBondContact O-CB 3.28Å; S183-R186 PolarHBondContact O-N 2.67Å; S183-R186 WeakPolarHBondContact OG-CB 3.24Å; S183-R186 PolarHBondContact OG-N 3.33Å; S183-R186 VanDerWaalsContact OG-N 3.14Å; S183-L187 PolarHBondContact O-N 2.87Å; S183-D645 VanDerWaalsContact CB-OD2 3.31Å; S183-D645 WeakPolarHBondContact CB-OD2 3.49Å; S183-D645 PolarHBondContact OG-OD2 2.65Å
184P90.7Very high81.4Confident63 Ų6350.4 Ų50.441%0.40925%0.246SC..Hα-helixtrans-54.7-41.1173.9-2735.1000112.6R186 L187 I188 D221P184-R186 VanDerWaalsContact C-N 3.32Å; P184-R186 PolarHBondContact O-N 3.16Å; P184-L187 PolarHBondContact O-N 3.5Å; P184-I188 WeakPolarHBondContact O-CG1 3.46Å; P184-I188 PolarHBondContact O-N 3Å; P184-D221 WeakPolarHBondContact CG-OD1 3.37Å
185L90Very high83.6Confident111 Ų11148.5 Ų48.558%0.58123%0.232SC*.Hα-helixtrans-63.2-36.8175.9-67.8178000112.4S183 I188 R189S183-L185 PolarHBondContact O-N 3.07Å; L185-I188 PolarHBondContact O-N 2.66Å; L185-R189 WeakPolarHBondContact O-CG 3.5Å; L185-R189 PolarHBondContact O-N 2.88Å
186R90.7Very high85.8Confident10 Ų1042.7 Ų42.74%0.03822%0.224CC..Hα-helixtrans-66-42.4175-165.7118.8-162.4157.613.1111.9S183 P184 I188 R189 A190 D645 P649 T650S183-R186 WeakPolarHBondContact O-CA 3.35Å; S183-R186 WeakPolarHBondContact O-CB 3.28Å; S183-R186 PolarHBondContact O-N 2.67Å; S183-R186 WeakPolarHBondContact OG-CB 3.24Å; S183-R186 PolarHBondContact OG-N 3.33Å; S183-R186 VanDerWaalsContact OG-N 3.14Å; P184-R186 VanDerWaalsContact C-N 3.32Å; P184-R186 PolarHBondContact O-N 3.16Å; R186-I188 VanDerWaalsContact C-N 3.32Å; R186-I188 PolarHBondContact O-N 3.23Å; R186-R189 PolarHBondContact O-N 3.24Å; R186-A190 VanDerWaalsContact O-CB 3.23Å; R186-A190 WeakPolarHBondContact O-CB 3.28Å; R186-A190 PolarHBondContact O-N 3.07Å; R186-D645 WeakPolarHBondContact CB-OD2 3.48Å; R186-D645 WeakPolarHBondContact CD-OD1 3.46Å; R186-D645 VanDerWaalsContact CD-OD2 3.24Å; R186-D645 WeakPolarHBondContact CD-OD2 3.35Å; R186-D645 IonicContact CZ-OD1 2.66Å; R186-D645 IonicContact NE-OD1 3.86Å; R186-D645 IonicContact NH1-OD1 3.88Å; R186-D645 PolarHBondContact NH1-OD1 2.77Å; R186-P649 VanDerWaalsContact CZ-O 3.27Å; R186-P649 PolarHBondContact NH1-O 2.95Å; R186-P649 PolarHBondContact NH2-O 3.4Å; R186-T650 PolarHBondContact NH2-O 3.29Å; R186-T650 VanDerWaalsContact NH2-O 3.17Å
187L94.2Very high88Confident5 Ų537.7 Ų37.73%0.02620%0.203CC..Hα-helixtrans-61-42.5175.7-68.4177.3000111.5A182 S183 P184 A190 M191 A218 F219 P227 L263 L319A182-L187 HydrophobicContact CB-CD2 3.95Å; A182-L187 HydrophobicContact CB-CG 4.11Å; S183-L187 PolarHBondContact O-N 2.87Å; P184-L187 PolarHBondContact O-N 3.5Å; L187-A190 PolarHBondContact O-N 3.47Å; L187-M191 VanDerWaalsContact O-CB 3.3Å; L187-M191 WeakPolarHBondContact O-CB 3.31Å; L187-M191 PolarHBondContact O-N 2.86Å; L187-A218 HydrophobicContact CD1-CB 4.43Å; L187-A218 WeakPolarHBondContact CD1-O 3.37Å; L187-F219 HydrophobicContact CB-CD1 4.36Å; L187-P227 HydrophobicContact CD1-CG 4.4Å; L187-P227 HydrophobicContact CD2-CG 3.84Å; L187-L263 HydrophobicContact CD2-CD1 3.99Å; L187-L319 HydrophobicContact CD2-CD1 3.63Å
188I93.8Very high90.1Very high69 Ų6936.5 Ų36.535%0.35420%0.196SC..Hα-helixtrans-60.2-53175.4-67.7166.2000110.5P184 L185 R186 A190 M191 D192P184-I188 WeakPolarHBondContact O-CG1 3.46Å; P184-I188 PolarHBondContact O-N 3Å; L185-I188 PolarHBondContact O-N 2.66Å; R186-I188 VanDerWaalsContact C-N 3.32Å; R186-I188 PolarHBondContact O-N 3.23Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 2.93Å; I188-M191 WeakPolarHBondContact O-CB 3.19Å; I188-M191 PolarHBondContact O-N 3.3Å; I188-D192 PolarHBondContact O-N 3.46Å
189R93.5Very high91.9Very high133 Ų13342.1 Ų42.150%0.50222%0.216SC..Hα-helixtrans-60.6-41.8179.6-71.8173.2-179.8167.3-0.1112.7L185 R186 M191 D192 K193L185-R189 WeakPolarHBondContact O-CG 3.5Å; L185-R189 PolarHBondContact O-N 2.88Å; R186-R189 PolarHBondContact O-N 3.24Å; R189-M191 VanDerWaalsContact C-N 3.33Å; R189-D192 PolarHBondContact O-N 2.95Å; R189-K193 PolarHBondContact O-N 2.89Å
190A94.5Very high93.1Very high1 Ų143.2 Ų43.21%0.00823%0.233CC..Hα-helixtrans-65.2-39.6178.100000111.3R186 L187 I188 K193 L194 Q317 L319 F321R186-A190 VanDerWaalsContact O-CB 3.23Å; R186-A190 WeakPolarHBondContact O-CB 3.28Å; R186-A190 PolarHBondContact O-N 3.07Å; L187-A190 PolarHBondContact O-N 3.47Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 2.93Å; A190-K193 PolarHBondContact O-N 2.84Å; A190-L194 WeakPolarHBondContact O-CB 3.33Å; A190-L194 PolarHBondContact O-N 2.96Å; A190-Q317 HydrophobicContact CB-CB 3.8Å; A190-Q317 HydrophobicContact CB-CG 4.21Å; A190-L319 HydrophobicContact CB-CD1 4.04Å; A190-F321 HydrophobicContact CB-CZ 3.86Å
191M96.5Very high93.9Very high7 Ų742.8 Ų42.83%0.03423%0.231CC..Hα-helixtrans-65.2-40.4173.7-173.463-171.100111.9L187 I188 R189 L194 R195 I212 P214 F219 V265L187-M191 VanDerWaalsContact O-CB 3.3Å; L187-M191 WeakPolarHBondContact O-CB 3.31Å; L187-M191 PolarHBondContact O-N 2.86Å; I188-M191 WeakPolarHBondContact O-CB 3.19Å; I188-M191 PolarHBondContact O-N 3.3Å; R189-M191 VanDerWaalsContact C-N 3.33Å; M191-L194 WeakPolarHBondContact O-CB 3.44Å; M191-L194 PolarHBondContact O-N 3.47Å; M191-L194 HydrophobicContact SD-CD2 4.11Å; M191-R195 HydrophobicContact CE-CG 4.24Å; M191-R195 VanDerWaalsContact O-CG 3.24Å; M191-R195 WeakPolarHBondContact O-CG 3.24Å; M191-R195 PolarHBondContact O-N 3.38Å; M191-I212 HydrophobicContact CE-CG2 3.66Å; M191-P214 HydrophobicContact CE-CB 4.33Å; M191-P214 HydrophobicContact SD-CB 4.5Å; M191-F219 HydrophobicContact CB-CE1 4.26Å; M191-F219 HydrophobicContact SD-CE1 4.4Å; M191-F219 HydrophobicContact SD-CZ 4.41Å; M191-V265 HydrophobicContact CE-CG1 3.76Å; M191-V265 HydrophobicContact CE-CG2 4.11Å; M191-V265 HydrophobicContact SD-CG1 4.5Å; M191-V265 HydrophobicContact SD-CG2 3.89Å
192D96.8Very high94.3Very high86 Ų8643.3 Ų43.346%0.4623%0.231SC..Hα-helixtrans-64.6-41.4176.3-69.2-26.4000111.9I188 R189 L194 R195 A196I188-D192 PolarHBondContact O-N 3.46Å; R189-D192 PolarHBondContact O-N 2.95Å; D192-L194 VanDerWaalsContact C-N 3.35Å; D192-L194 PolarHBondContact O-N 3.35Å; D192-R195 WeakPolarHBondContact O-CB 3.31Å; D192-R195 PolarHBondContact O-N 2.92Å; D192-A196 PolarHBondContact O-N 2.96Å
193K95.4Very high94.4Very high54 Ų5450.8 Ų50.824%0.23527%0.27CS..Hα-helixtrans-63.4-41.2173.6-167.1168.7-178.5162.90111.6R189 A190 A196 L197 L316 Q317 E651R189-K193 PolarHBondContact O-N 2.89Å; A190-K193 PolarHBondContact O-N 2.84Å; K193-A196 PolarHBondContact O-N 3.28Å; K193-L197 WeakPolarHBondContact O-CB 3.37Å; K193-L197 PolarHBondContact O-N 3.22Å; K193-L316 HydrophobicContact CB-CD2 4.23Å; K193-L316 HydrophobicContact CD-CD1 4.32Å; K193-L316 HydrophobicContact CG-CD1 4.48Å; K193-L316 HydrophobicContact CG-CD2 4.16Å; K193-Q317 HydrophobicContact CD-CG 3.91Å; K193-E651 IonicContact NZ-OE2 3.6Å; K193-E651 PolarHBondContact NZ-OE2 3.47Å
194L97.2Very high94.6Very high0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-61.6-43.6174.4-179.366.4000111.5A190 M191 D192 A196 L197 L198 V265 I314 L316 F321 I323A190-L194 WeakPolarHBondContact O-CB 3.33Å; A190-L194 PolarHBondContact O-N 2.96Å; M191-L194 WeakPolarHBondContact O-CB 3.44Å; M191-L194 PolarHBondContact O-N 3.47Å; M191-L194 HydrophobicContact SD-CD2 4.11Å; D192-L194 VanDerWaalsContact C-N 3.35Å; D192-L194 PolarHBondContact O-N 3.35Å; L194-A196 PolarHBondContact O-N 3.45Å; L194-L197 PolarHBondContact O-N 3.31Å; L194-L198 HydrophobicContact CD1-CD1 3.99Å; L194-L198 HydrophobicContact CD1-CG 4.1Å; L194-L198 HydrophobicContact CG-CD1 3.93Å; L194-L198 HydrophobicContact CG-CG 4.39Å; L194-L198 WeakPolarHBondContact O-CB 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.49Å; L194-L198 PolarHBondContact O-N 2.94Å; L194-V265 HydrophobicContact CD2-CB 4.39Å; L194-V265 HydrophobicContact CD2-CG1 4.26Å; L194-V265 HydrophobicContact CD2-CG2 3.96Å; L194-I314 HydrophobicContact CD1-CD1 4.1Å; L194-L316 HydrophobicContact CB-CD2 3.89Å; L194-L316 HydrophobicContact CD1-CD2 4.25Å; L194-F321 HydrophobicContact CD2-CB 3.94Å; L194-F321 HydrophobicContact CD2-CD1 3.58Å; L194-F321 HydrophobicContact CD2-CD2 4.28Å; L194-F321 HydrophobicContact CD2-CE1 4.08Å; L194-F321 HydrophobicContact CD2-CG 3.68Å; L194-I323 HydrophobicContact CD1-CD1 4.3Å; L194-I323 HydrophobicContact CD2-CD1 3.97Å
195R98.1Very high94.6Very high48 Ų4853.9 Ų53.918%0.18127%0.273CS..Hα-helixtrans-59.8-46.5176.3-71.7167.6-174.3-71.5-4.5111.6M191 D192 R199 I212M191-R195 HydrophobicContact CE-CG 4.24Å; M191-R195 VanDerWaalsContact O-CG 3.24Å; M191-R195 WeakPolarHBondContact O-CG 3.24Å; M191-R195 PolarHBondContact O-N 3.38Å; D192-R195 WeakPolarHBondContact O-CB 3.31Å; D192-R195 PolarHBondContact O-N 2.92Å; R195-R199 VanDerWaalsContact O-CB 3.31Å; R195-R199 WeakPolarHBondContact O-CB 3.34Å; R195-R199 VanDerWaalsContact O-CG 3.28Å; R195-R199 WeakPolarHBondContact O-CG 3.34Å; R195-R199 PolarHBondContact O-N 2.6Å; R195-I212 HydrophobicContact CB-CD1 4.25Å; R195-I212 HydrophobicContact CG-CB 4.25Å; R195-I212 HydrophobicContact CG-CD1 4.27Å; R195-I212 HydrophobicContact CG-CG2 4.09Å; R195-I212 VanDerWaalsContact CZ-O 3.29Å; R195-I212 PolarHBondContact NH1-O 2.98Å; R195-I212 PolarHBondContact NH2-O 3.19Å
196A96.5Very high94.5Very high65 Ų6553.5 Ų53.554%0.53728%0.278SS..Hα-helixtrans-63.2-43.7177.800000111.7D192 K193 L194 G200D192-A196 PolarHBondContact O-N 2.96Å; K193-A196 PolarHBondContact O-N 3.28Å; L194-A196 PolarHBondContact O-N 3.45Å; A196-G200 PolarHBondContact O-N 3.26Å
197L96Very high94.4Very high19 Ų1954.1 Ų54.110%0.09928%0.282CS..Hα-helixtrans-61.2-48.6178.4174.1161.8000112.2K193 L194 G200 L297 I302 I314 L316K193-L197 WeakPolarHBondContact O-CB 3.37Å; K193-L197 PolarHBondContact O-N 3.22Å; L194-L197 PolarHBondContact O-N 3.31Å; L197-G200 PolarHBondContact O-N 3.46Å; L197-L297 HydrophobicContact CD2-CD2 3.47Å; L197-L297 VanDerWaalsContact CD2-CD2 3.47Å; L197-L297 HydrophobicContact CG-CD2 4.05Å; L197-I302 HydrophobicContact CD1-CD1 3.35Å; L197-I302 HydrophobicContact CD1-CG1 4.16Å; L197-I302 HydrophobicContact CD1-CG2 4.27Å; L197-I302 HydrophobicContact CG-CD1 3.92Å; L197-I314 HydrophobicContact CD2-CD1 4.48Å; L197-L316 HydrophobicContact CD1-CD1 3.99Å; L197-L316 HydrophobicContact CD1-CD2 4.07Å
198L97.1Very high94.3Very high0 Ų057.1 Ų57.10%030%0.298CS..Hα-helixtrans-68.4-45.6179.9-70.6175.3000111.7L194 G200 L201 I209 I212 I267 I314 I323L194-L198 HydrophobicContact CD1-CD1 3.99Å; L194-L198 HydrophobicContact CD1-CG 4.1Å; L194-L198 HydrophobicContact CG-CD1 3.93Å; L194-L198 HydrophobicContact CG-CG 4.39Å; L194-L198 WeakPolarHBondContact O-CB 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.49Å; L194-L198 PolarHBondContact O-N 2.94Å; L198-G200 PolarHBondContact O-N 2.93Å; L198-L201 HydrophobicContact CD2-CD1 4.45Å; L198-L201 WeakPolarHBondContact O-CB 3.42Å; L198-L201 PolarHBondContact O-N 3.44Å; L198-I209 HydrophobicContact CB-CD1 4Å; L198-I212 HydrophobicContact CB-CD1 3.81Å; L198-I212 HydrophobicContact CD1-CD1 4.14Å; L198-I212 HydrophobicContact CD1-CG2 4.29Å; L198-I267 HydrophobicContact CD1-CG2 4.02Å; L198-I314 HydrophobicContact CD2-CD1 4.03Å; L198-I323 HydrophobicContact CD1-CD1 4.19Å
199R95.9Very high94.4Very high122 Ų12254.1 Ų54.146%0.4628%0.282SS..Hα-helixtrans-61.5-34.1174.7-73.1175.9174.8153-4.3112.1R195 L201 N202 I212R195-R199 VanDerWaalsContact O-CB 3.31Å; R195-R199 WeakPolarHBondContact O-CB 3.34Å; R195-R199 VanDerWaalsContact O-CG 3.28Å; R195-R199 WeakPolarHBondContact O-CG 3.34Å; R195-R199 PolarHBondContact O-N 2.6Å; R199-L201 PolarHBondContact O-N 3.3Å; R199-L201 VanDerWaalsContact O-N 3.11Å; R199-N202 WeakPolarHBondContact O-CB 3.33Å; R199-N202 PolarHBondContact O-N 3.36Å; R199-N202 VanDerWaalsContact O-N 3.1Å; R199-I212 HydrophobicContact CG-CD1 4.06Å
200G95.4Very high94.3Very high46 Ų4651.8 Ų51.847%0.47428%0.283SS..THydrogen-bonded Turntrans-66.8-3.3173.500000114.9A196 L197 L198A196-G200 PolarHBondContact O-N 3.26Å; L197-G200 PolarHBondContact O-N 3.46Å; L198-G200 PolarHBondContact O-N 2.93Å
201L95.3Very high94.2Very high2 Ų252.6 Ų52.61%0.0129%0.292CS..THydrogen-bonded Turntrans-92.1-16.1171-56.8-176.4000113.2L198 R199 N203 K204 L205 M293 L296 L297L198-L201 HydrophobicContact CD2-CD1 4.45Å; L198-L201 WeakPolarHBondContact O-CB 3.42Å; L198-L201 PolarHBondContact O-N 3.44Å; R199-L201 PolarHBondContact O-N 3.3Å; R199-L201 VanDerWaalsContact O-N 3.11Å; L201-N203 VanDerWaalsContact C-N 3.26Å; L201-N203 PolarHBondContact O-N 3.06Å; L201-N203 VanDerWaalsContact O-N 3.13Å; L201-K204 PolarHBondContact O-N 3.22Å; L201-L205 HydrophobicContact CB-CD1 3.6Å; L201-L205 HydrophobicContact CB-CG 4.03Å; L201-L205 WeakPolarHBondContact O-CG 3.29Å; L201-L205 PolarHBondContact O-N 3.3Å; L201-M293 HydrophobicContact CD1-CG 4.47Å; L201-L296 HydrophobicContact CD2-CB 4Å; L201-L297 HydrophobicContact CD1-CD2 4.12Å; L201-L297 HydrophobicContact CD1-CG 4.36Å; L201-L297 HydrophobicContact CD2-CD2 4.3Å
202N94.2Very high94.3Very high30 Ų3052.4 Ų52.416%0.1629%0.291CS..G310 helixtrans-52.4-40.7-172.4-79.5-7.4000113.1R199 K204 L205 N208 I209R199-N202 WeakPolarHBondContact O-CB 3.33Å; R199-N202 PolarHBondContact O-N 3.36Å; R199-N202 VanDerWaalsContact O-N 3.1Å; N202-K204 PolarHBondContact O-N 3.3Å; N202-L205 PolarHBondContact O-N 3.24Å; N202-N208 WeakPolarHBondContact CB-OD1 3.29Å; N202-I209 PolarHBondContact ND2-O 3.47Å; N202-I209 PolarHBondContact OD1-N 2.85Å
203N91.2Very high94.3Very high163 Ų16351.6 Ų51.687%0.87229%0.286SS*.G310 helixtrans-61.3-18179.1-62-5000114.5L201L201-N203 VanDerWaalsContact C-N 3.26Å; L201-N203 PolarHBondContact O-N 3.06Å; L201-N203 VanDerWaalsContact O-N 3.13Å
204K92.9Very high94.5Very high145 Ų14550.5 Ų50.563%0.6329%0.285SS*.G310 helixtrans-117.5-3.2-176.8-63.2-174.7179.3-1750113.1L201 N202 L296L201-K204 PolarHBondContact O-N 3.22Å; N202-K204 PolarHBondContact O-N 3.3Å; K204-L296 HydrophobicContact CB-CD1 3.79Å; K204-L296 HydrophobicContact CB-CD2 3.95Å; K204-L296 HydrophobicContact CD-CD2 3.66Å; K204-L296 HydrophobicContact CG-CD2 4.46Å
205L92.4Very high94.5Very high15 Ų1550.5 Ų50.58%0.07929%0.285CS..SBendtrans-97.7148179.1-71.1173.4000110.2L201 N202 L207 I209 L289 R292 M293 L296L201-L205 HydrophobicContact CB-CD1 3.6Å; L201-L205 HydrophobicContact CB-CG 4.03Å; L201-L205 WeakPolarHBondContact O-CG 3.29Å; L201-L205 PolarHBondContact O-N 3.3Å; N202-L205 PolarHBondContact O-N 3.24Å; L205-L207 PolarHBondContact O-N 3.26Å; L205-I209 HydrophobicContact CD1-CD1 4.11Å; L205-I209 HydrophobicContact CD1-CG1 4.36Å; L205-L289 HydrophobicContact CD2-CD1 4.09Å; L205-R292 HydrophobicContact CD2-CG 4.36Å; L205-M293 HydrophobicContact CD1-CE 3.66Å; L205-M293 HydrophobicContact CD1-CG 4.26Å; L205-M293 HydrophobicContact CD2-CE 4.29Å; L205-M293 HydrophobicContact CD2-CG 3.74Å; L205-L296 HydrophobicContact CD2-CD1 3.82Å; L205-L296 HydrophobicContact CG-CD1 4.19Å
206P87.4Confident94.5Very high104 Ų10448.7 Ų48.768%0.67528%0.279SS*.SBendtrans-69.6-22.8179.628.4-35.6000113.3L289P206-L289 HydrophobicContact CG-CD1 3.81Å
207L88.4Confident94.5Very high22 Ų2245.9 Ų45.912%0.11526%0.256CS..SBendtrans-132.9140.2176.3-63175.7000109.2L205 W275L205-L207 PolarHBondContact O-N 3.26Å; L207-W275 HydrophobicContact CD1-CZ2 3.48Å; L207-W275 VanDerWaalsContact CD1-CZ2 3.48Å
208N92.1Very high94.6Very high68 Ų6845.2 Ų45.236%0.36425%0.253SS..  trans-74.4143.9178.4-64.6-53000111.1N202 E270N202-N208 WeakPolarHBondContact CB-OD1 3.29Å; N208-E270 PolarHBondContact ND2-OE2 2.84Å; N208-E270 PolarHBondContact O-N 3.33Å
209I94.9Very high94.6Very high6 Ų646.3 Ų46.33%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-80.2116.2167.7-58.1172.7000107.8L198 N202 L205 I212 I267 L269 M293L198-I209 HydrophobicContact CB-CD1 4Å; N202-I209 PolarHBondContact ND2-O 3.47Å; N202-I209 PolarHBondContact OD1-N 2.85Å; L205-I209 HydrophobicContact CD1-CD1 4.11Å; L205-I209 HydrophobicContact CD1-CG1 4.36Å; I209-I212 HydrophobicContact CG2-CD1 4.06Å; I209-I212 HydrophobicContact CG2-CG1 3.66Å; I209-I267 HydrophobicContact CD1-CD1 4.21Å; I209-I267 HydrophobicContact CG1-CD1 4.35Å; I209-I267 HydrophobicContact CG2-CB 4.1Å; I209-I267 HydrophobicContact CG2-CG2 4.31Å; I209-L269 HydrophobicContact CG1-CD2 4.13Å; I209-M293 HydrophobicContact CD1-CE 4.06Å; I209-M293 HydrophobicContact CG1-CE 4.38Å
210T92Very high94.6Very high84 Ų8440.7 Ų40.752%0.51524%0.237SC..EExtended strand (participates in β ladder)trans-90.5-52.6-17855.90000111.1H268 E270T210-H268 PolarHBondContact N-O 3.47Å; T210-H268 WeakPolarHBondContact OG1-CB 3.21Å; T210-H268 PolarHBondContact OG1-O 3.26Å; T210-E270 HydrophobicContact CG2-CB 4.14Å
211G93.4Very high94.6Very high19 Ų1941 Ų4120%0.19623%0.227CC..EExtended strand (participates in β ladder)trans-119.6145.2-177.600000112.1I267 H268G211-I267 CarbonylContact O-C 3.53Å; G211-I267 VanDerWaalsContact O-CA 3.26Å; G211-I267 WeakPolarHBondContact O-CA 3.19Å; G211-H268 PolarHBondContact N-O 2.81Å; G211-H268 PolarHBondContact O-N 3.18Å
212I97.8Very high94.7Very high2 Ų240.9 Ų40.91%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-135.1120.9172.6-53.1175.6000105.5M191 R195 L198 R199 I209 V265 I266 I267M191-I212 HydrophobicContact CE-CG2 3.66Å; R195-I212 HydrophobicContact CB-CD1 4.25Å; R195-I212 HydrophobicContact CG-CB 4.25Å; R195-I212 HydrophobicContact CG-CD1 4.27Å; R195-I212 HydrophobicContact CG-CG2 4.09Å; R195-I212 VanDerWaalsContact CZ-O 3.29Å; R195-I212 PolarHBondContact NH1-O 2.98Å; R195-I212 PolarHBondContact NH2-O 3.19Å; L198-I212 HydrophobicContact CB-CD1 3.81Å; L198-I212 HydrophobicContact CD1-CD1 4.14Å; L198-I212 HydrophobicContact CD1-CG2 4.29Å; R199-I212 HydrophobicContact CG-CD1 4.06Å; I209-I212 HydrophobicContact CG2-CD1 4.06Å; I209-I212 HydrophobicContact CG2-CG1 3.66Å; I212-V265 HydrophobicContact CG2-CG1 3.57Å; I212-I266 CarbonylContact C-O 3.44Å; I212-I266 WeakPolarHBondContact CA-O 3.39Å; I212-I267 HydrophobicContact CB-CG2 4.49Å; I212-I267 HydrophobicContact CG1-CG2 4.11Å; I212-I267 HydrophobicContact CG2-CG2 4.22Å
213L97.8Very high94.8Very high69 Ų6940.9 Ų40.936%0.36123%0.229SC..EExtended strand (participates in β ladder)trans-136.7136.2-174.7-62.8170.5000110.9V265 I266 P379L213-V265 CarbonylContact O-C 3.52Å; L213-V265 WeakPolarHBondContact O-CA 3.44Å; L213-I266 HydrophobicContact CB-CG2 3.73Å; L213-I266 PolarHBondContact N-O 3.16Å; L213-I266 PolarHBondContact O-N 3.22Å; L213-P379 HydrophobicContact CD1-CB 3.81Å
214P98.1Very high95.1Very high32 Ų3233.3 Ų33.321%0.20819%0.189CC..EExtended strand (participates in β ladder)trans-77.7138.417630.7-30.1000111.2M191 F219M191-P214 HydrophobicContact CE-CB 4.33Å; M191-P214 HydrophobicContact SD-CB 4.5Å; P214-F219 HydrophobicContact CB-CB 3.77Å; P214-F219 HydrophobicContact CB-CD1 4.06Å; P214-F219 HydrophobicContact CB-CD2 3.32Å; P214-F219 HydrophobicContact CB-CE1 4.47Å; P214-F219 HydrophobicContact CB-CE2 3.77Å; P214-F219 HydrophobicContact CB-CG 3.46Å; P214-F219 VanDerWaalsContact CB-CG 3.46Å; P214-F219 HydrophobicContact CB-CZ 4.32Å; P214-F219 HydrophobicContact CG-CB 4.23Å; P214-F219 HydrophobicContact CG-CG 4.34Å
215L98Very high95.1Very high0 Ų027 Ų270%016%0.161CC..  trans-110.4-40.2179.7-59.2-176.8000113.3R220 Y264 I266 L374 L378 P379L215-R220 PolarHBondContact O-NH2 3.18Å; L215-R220 VanDerWaalsContact O-NH2 3.08Å; L215-Y264 PolarHBondContact N-O 3.49Å; L215-I266 HydrophobicContact CD1-CB 3.97Å; L215-I266 HydrophobicContact CD1-CG2 4.33Å; L215-I266 HydrophobicContact CD2-CB 4.38Å; L215-I266 HydrophobicContact CD2-CG2 3.82Å; L215-I266 HydrophobicContact CG-CB 4.24Å; L215-I266 HydrophobicContact CG-CG2 4.12Å; L215-L374 HydrophobicContact CD1-CD1 3.9Å; L215-L378 HydrophobicContact CB-CD2 4.26Å; L215-L378 HydrophobicContact CD1-CD2 4.26Å; L215-L378 HydrophobicContact CD2-CD2 4.25Å; L215-L378 HydrophobicContact CD2-CG 4.15Å; L215-L378 HydrophobicContact CG-CD2 4.5Å; L215-P379 HydrophobicContact CD2-CB 4.19Å; L215-P379 HydrophobicContact CD2-CG 3.96Å
216S98.1Very high95.1Very high9 Ų928 Ų286%0.06317%0.169CC..SBendtrans-60.5144.7-174-66.60000113.2A218 F219 Y264 C417S216-A218 PolarHBondContact O-N 2.79Å; S216-A218 VanDerWaalsContact O-N 3.1Å; S216-F219 PolarHBondContact O-N 3.46Å; S216-F219 VanDerWaalsContact O-N 3.09Å; S216-Y264 PolarHBondContact OG-N 2.76Å; S216-C417 WeakPolarHBondContact CA-O 3.04Å
217S97.1Very high95.3Very high6 Ų624.3 Ų24.34%0.04215%0.145CC..G310 helixtrans-58.4-22.9178.955.80000113.9F219 R220 D221 T222 S223 E462S217-F219 VanDerWaalsContact C-N 3.28Å; S217-F219 PolarHBondContact O-N 3.4Å; S217-R220 PolarHBondContact O-N 3.26Å; S217-D221 PolarHBondContact O-N 3.17Å; S217-T222 WeakPolarHBondContact CB-OG1 3.32Å; S217-T222 PolarHBondContact O-N 3.06Å; S217-T222 PolarHBondContact O-OG1 3.01Å; S217-S223 PolarHBondContact O-N 3.03Å; S217-E462 VanDerWaalsContact CB-OE2 3.23Å; S217-E462 WeakPolarHBondContact CB-OE2 3.26Å; S217-E462 VanDerWaalsContact OG-CD 3.32Å; S217-E462 PolarHBondContact OG-OE1 2.96Å; S217-E462 VanDerWaalsContact OG-OE1 3.12Å; S217-E462 PolarHBondContact OG-OE2 3.37Å
218A97.1Very high95.3Very high6 Ų624.1 Ų24.15%0.0514%0.144CC..G310 helixtrans-57.1-36.4173.200000113.3L187 S216 R220 D221 P227 L263L187-A218 HydrophobicContact CD1-CB 4.43Å; L187-A218 WeakPolarHBondContact CD1-O 3.37Å; S216-A218 PolarHBondContact O-N 2.79Å; S216-A218 VanDerWaalsContact O-N 3.1Å; A218-R220 PolarHBondContact O-N 3.09Å; A218-D221 PolarHBondContact O-N 3.13Å; A218-D221 VanDerWaalsContact O-N 3.1Å; A218-P227 HydrophobicContact CB-CG 4.37Å; A218-L263 HydrophobicContact CB-CD2 3.8Å
219F97.4Very high95.1Very high23 Ų2320.9 Ų20.910%0.10113%0.126CC..G310 helixtrans-76.5-8.8178.5-61.7-73.6000113.9L187 M191 P214 S216 S217 L263 V265 F321L187-F219 HydrophobicContact CB-CD1 4.36Å; M191-F219 HydrophobicContact CB-CE1 4.26Å; M191-F219 HydrophobicContact SD-CE1 4.4Å; M191-F219 HydrophobicContact SD-CZ 4.41Å; P214-F219 HydrophobicContact CB-CB 3.77Å; P214-F219 HydrophobicContact CB-CD1 4.06Å; P214-F219 HydrophobicContact CB-CD2 3.32Å; P214-F219 HydrophobicContact CB-CE1 4.47Å; P214-F219 HydrophobicContact CB-CE2 3.77Å; P214-F219 HydrophobicContact CB-CG 3.46Å; P214-F219 VanDerWaalsContact CB-CG 3.46Å; P214-F219 HydrophobicContact CB-CZ 4.32Å; P214-F219 HydrophobicContact CG-CB 4.23Å; P214-F219 HydrophobicContact CG-CG 4.34Å; S216-F219 PolarHBondContact O-N 3.46Å; S216-F219 VanDerWaalsContact O-N 3.09Å; S217-F219 VanDerWaalsContact C-N 3.28Å; S217-F219 PolarHBondContact O-N 3.4Å; F219-L263 HydrophobicContact CE1-CD1 4.43Å; F219-L263 HydrophobicContact CE2-CB 3.78Å; F219-L263 HydrophobicContact CE2-CD1 4.38Å; F219-L263 HydrophobicContact CZ-CB 3.87Å; F219-L263 HydrophobicContact CZ-CD1 3.92Å; F219-L263 HydrophobicContact CZ-CG 4.5Å; F219-V265 HydrophobicContact CE2-CG2 4.31Å; F219-V265 HydrophobicContact CZ-CG2 4.33Å; F219-F321 HydrophobicContact CE1-CE1 4.21Å; F219-F321 HydrophobicContact CZ-CD1 4.12Å; F219-F321 AromaticContact CZ-CE1 3.76Å; F219-F321 HydrophobicContact CZ-CE1 3.76Å
220R95.6Very high94.5Very high4 Ų421.1 Ų21.12%0.01513%0.129CC..G310 helixtrans-98.92.4170.4-68.7172.6-83.6172.2-11.3111.4L215 S217 A218 T222 L385 S389 C417 E466L215-R220 PolarHBondContact O-NH2 3.18Å; L215-R220 VanDerWaalsContact O-NH2 3.08Å; S217-R220 PolarHBondContact O-N 3.26Å; A218-R220 PolarHBondContact O-N 3.09Å; R220-T222 HydrophobicContact CB-CG2 4.08Å; R220-T222 PolarHBondContact O-N 2.86Å; R220-L385 HydrophobicContact CG-CB 4.47Å; R220-S389 VanDerWaalsContact O-CB 3.27Å; R220-S389 WeakPolarHBondContact O-CB 3.44Å; R220-S389 PolarHBondContact O-OG 2.94Å; R220-C417 PolarHBondContact NH2-SG 3.01Å; R220-E466 IonicContact CZ-OE1 3.25Å; R220-E466 IonicContact CZ-OE2 3Å; R220-E466 IonicContact NE-OE2 3.89Å; R220-E466 IonicContact NH1-OE1 3.36Å; R220-E466 IonicContact NH1-OE2 2.76Å; R220-E466 PolarHBondContact NH1-OE2 3.04Å
221D95.8Very high93.7Very high51 Ų5117.8 Ų17.827%0.27311%0.107SC..THydrogen-bonded Turntrans57.812.9-171.5-59.4-46000114.2P184 S217 A218 P397 R401P184-D221 WeakPolarHBondContact CG-OD1 3.37Å; S217-D221 PolarHBondContact O-N 3.17Å; A218-D221 PolarHBondContact O-N 3.13Å; A218-D221 VanDerWaalsContact O-N 3.1Å; D221-P397 HydrophobicContact CB-CB 3.93Å; D221-P397 HydrophobicContact CB-CG 4.24Å; D221-P397 WeakPolarHBondContact O-CB 3.5Å; D221-R401 WeakPolarHBondContact O-CD 2.99Å
222T97.7Very high92.4Very high0 Ų019 Ų190%011%0.111CC..  trans-94.5-5.1-177.357.80000113.2S217 R220 V224 F396 C400 K404 E466S217-T222 WeakPolarHBondContact CB-OG1 3.32Å; S217-T222 PolarHBondContact O-N 3.06Å; S217-T222 PolarHBondContact O-OG1 3.01Å; R220-T222 HydrophobicContact CB-CG2 4.08Å; R220-T222 PolarHBondContact O-N 2.86Å; T222-V224 PolarHBondContact O-N 3.11Å; T222-F396 HydrophobicContact CG2-CD1 4.3Å; T222-F396 HydrophobicContact CG2-CE1 3.77Å; T222-F396 HydrophobicContact CG2-CZ 4.44Å; T222-C400 HydrophobicContact CG2-CB 3.85Å; T222-K404 WeakPolarHBondContact O-CD 3.44Å; T222-K404 WeakPolarHBondContact O-CE 3.27Å; T222-K404 PolarHBondContact O-NZ 3.41Å; T222-E466 VanDerWaalsContact CB-OE1 3.27Å; T222-E466 WeakPolarHBondContact CB-OE1 3.11Å; T222-E466 HydrophobicContact CG2-CG 4.08Å; T222-E466 VanDerWaalsContact OG1-CD 3.26Å; T222-E466 PolarHBondContact OG1-OE1 2.91Å
223S96.6Very high90.3Very high31 Ų3121.7 Ų21.722%0.21713%0.125CC..SBendtrans-62.5132.2170.7175.90000110.1S217 F225 R401S217-S223 PolarHBondContact O-N 3.03Å; S223-F225 PolarHBondContact O-N 3.35Å; S223-F225 VanDerWaalsContact O-N 3.15Å; S223-F225 PolarHBondContact OG-O 3.31Å; S223-R401 WeakPolarHBondContact O-CD 3.34Å; S223-R401 VanDerWaalsContact O-CG 3.26Å; S223-R401 WeakPolarHBondContact O-CG 3.34Å; S223-R401 PolarHBondContact O-NE 2.87Å
224V96Very high87.8Confident3 Ų319.8 Ų19.82%0.01812%0.119CC..SBendtrans-48.2-49.1-175.3-178.60000111.6T222 R401 K404 R405T222-V224 PolarHBondContact O-N 3.11Å; V224-R401 PolarHBondContact O-NE 3.34Å; V224-R401 PolarHBondContact O-NH2 3.11Å; V224-K404 HydrophobicContact CG2-CB 3.37Å; V224-K404 HydrophobicContact CG2-CD 4.17Å; V224-K404 HydrophobicContact CG2-CG 4.42Å; V224-R405 HydrophobicContact CG1-CB 3.94Å; V224-R405 HydrophobicContact CG1-CG 4.38Å
225F93.9Very high85Confident12 Ų1224.8 Ų24.85%0.05314%0.144CC..SBendtrans-120139.3171.9-60.6-76.6000109.7I168 L170 S223 E626 H691I168-F225 WeakPolarHBondContact O-CD1 3.43Å; I168-F225 WeakPolarHBondContact O-CE1 3.1Å; L170-F225 HydrophobicContact CD2-CB 4.07Å; L170-F225 HydrophobicContact CD2-CD1 3.62Å; L170-F225 HydrophobicContact CD2-CE1 4.32Å; L170-F225 HydrophobicContact CD2-CG 3.96Å; L170-F225 HydrophobicContact CG-CD1 4.03Å; S223-F225 PolarHBondContact O-N 3.35Å; S223-F225 VanDerWaalsContact O-N 3.15Å; S223-F225 PolarHBondContact OG-O 3.31Å; F225-E626 HydrophobicContact CD2-CB 3.89Å; F225-E626 HydrophobicContact CD2-CG 3.66Å; F225-E626 HydrophobicContact CE2-CB 3.59Å; F225-E626 HydrophobicContact CE2-CG 3.92Å; F225-E626 HydrophobicContact CG-CG 4Å; F225-E626 HydrophobicContact CZ-CB 3.94Å; F225-E626 HydrophobicContact CZ-CG 4.44Å; F225-E626 WeakPolarHBondContact CZ-O 3.38Å; F225-H691 AromaticContact CD2-ND1 3.56Å; F225-H691 HydrophobicContact CE2-CB 3.83Å; F225-H691 AromaticContact CE2-CG 3.68Å; F225-H691 AromaticContact CE2-ND1 3.63Å
226P92Very high82.2Confident38 Ų3831 Ų3125%0.24717%0.173CC..PPolyproline II helixtrans-64.4150.9173.927.9-35.6000110.8A181A181-P226 HydrophobicContact CB-CB 4.14Å; A181-P226 HydrophobicContact CB-CG 3.51Å
227P92.5Very high79.1Confident25 Ų2535.9 Ų35.916%0.16221%0.207CC..PPolyproline II helixtrans-63.7141.3178.126.9-32.7000110.6A182 L187 A218 L263 L319A182-P227 HydrophobicContact CB-CG 4.07Å; A182-P227 WeakPolarHBondContact CB-O 3.3Å; A182-P227 PolarHBondContact N-O 2.86Å; L187-P227 HydrophobicContact CD1-CG 4.4Å; L187-P227 HydrophobicContact CD2-CG 3.84Å; A218-P227 HydrophobicContact CB-CG 4.37Å; P227-L263 HydrophobicContact CG-CD1 4.3Å; P227-L319 HydrophobicContact CB-CD2 3.97Å; P227-L319 HydrophobicContact CG-CD2 4.09Å
228I87.9Confident76.3Confident18 Ų1842.4 Ų42.49%0.09224%0.237CC..BIsolated β-bridgetrans-85.9129.8179.9-59.5170.3000108.6L170 L179 V180 S230 F258L170-I228 HydrophobicContact CD1-CG1 4.26Å; L179-I228 HydrophobicContact CB-CG2 4.26Å; L179-I228 HydrophobicContact CD1-CD1 4.13Å; L179-I228 HydrophobicContact CD2-CD1 4.33Å; L179-I228 HydrophobicContact CD2-CG2 4.07Å; V180-I228 WeakPolarHBondContact O-CA 3.25Å; I228-S230 PolarHBondContact O-N 3.47Å; I228-F258 HydrophobicContact CB-CD2 3.96Å; I228-F258 HydrophobicContact CB-CE2 3.97Å; I228-F258 HydrophobicContact CD1-CB 4.39Å; I228-F258 HydrophobicContact CD1-CD2 4.22Å; I228-F258 HydrophobicContact CD1-CG 4.48Å; I228-F258 HydrophobicContact CG2-CD2 3.67Å; I228-F258 HydrophobicContact CG2-CE2 3.43Å; I228-F258 VanDerWaalsContact CG2-CE2 3.43Å; I228-F258 HydrophobicContact CG2-CG 4.32Å; I228-F258 HydrophobicContact CG2-CZ 3.91Å
229L86.9Confident73.5Confident0 Ų050.5 Ų50.50%027%0.273CS..PPolyproline II helixtrans-67.7126.5174.4-62.1-179.6000109.9V180 A182 F231 L319 L648 F652V180-L229 HydrophobicContact CG1-CD1 4.12Å; V180-L229 PolarHBondContact O-N 2.81Å; A182-L229 HydrophobicContact CB-CD2 3.83Å; A182-L229 HydrophobicContact CB-CG 4.25Å; L229-F231 HydrophobicContact CB-CE2 3.97Å; L229-F231 HydrophobicContact CB-CZ 3.87Å; L229-F231 HydrophobicContact CD1-CZ 4.38Å; L229-F231 WeakPolarHBondContact O-CE2 3.25Å; L229-L319 HydrophobicContact CD2-CD1 4.35Å; L229-L319 HydrophobicContact CD2-CD2 3.83Å; L229-L319 HydrophobicContact CD2-CG 3.85Å; L229-L648 HydrophobicContact CD1-CD1 3.85Å; L229-F652 HydrophobicContact CD1-CE2 4.48Å
230S82.4Confident70.8Confident11 Ų1153.2 Ų53.28%0.07731%0.307CS..PPolyproline II helixtrans-95.2138.9170.3-165.30000110.1I228 G318 P661I228-S230 PolarHBondContact O-N 3.47Å; S230-G318 PolarHBondContact N-O 3.32Å; S230-G318 WeakPolarHBondContact O-CA 3.33Å; S230-P661 WeakPolarHBondContact OG-CB 3.35Å
231F76Confident68.3Low14 Ų1459.7 Ų59.76%0.06134%0.341CS..  trans-116.3141.4-178.6-58.8-88.1000109.9V180 L229 M233 V249 F253 L648 F652 Y659V180-F231 HydrophobicContact CB-CE2 4.36Å; V180-F231 HydrophobicContact CB-CZ 4.31Å; V180-F231 HydrophobicContact CG2-CE2 4.15Å; V180-F231 HydrophobicContact CG2-CZ 4.15Å; L229-F231 HydrophobicContact CB-CE2 3.97Å; L229-F231 HydrophobicContact CB-CZ 3.87Å; L229-F231 HydrophobicContact CD1-CZ 4.38Å; L229-F231 WeakPolarHBondContact O-CE2 3.25Å; F231-M233 PolarHBondContact O-N 2.83Å; F231-V249 HydrophobicContact CB-CG1 4.06Å; F231-V249 HydrophobicContact CG-CG1 4.47Å; F231-F253 HydrophobicContact CB-CE2 4.25Å; F231-F253 HydrophobicContact CD2-CD2 4.48Å; F231-F253 HydrophobicContact CD2-CE1 4.12Å; F231-F253 AromaticContact CD2-CE2 3.49Å; F231-F253 HydrophobicContact CD2-CE2 3.49Å; F231-F253 VanDerWaalsContact CD2-CE2 3.49Å; F231-F253 AromaticContact CD2-CZ 3.27Å; F231-F253 HydrophobicContact CD2-CZ 3.27Å; F231-F253 HydrophobicContact CE2-CE2 4.16Å; F231-F253 AromaticContact CE2-CZ 3.67Å; F231-F253 HydrophobicContact CE2-CZ 3.67Å; F231-F253 HydrophobicContact CG-CE2 4.12Å; F231-F253 HydrophobicContact CG-CZ 4.31Å; F231-L648 HydrophobicContact CE1-CD1 4.33Å; F231-L648 HydrophobicContact CE1-CD2 4.04Å; F231-L648 HydrophobicContact CZ-CD1 3.95Å; F231-L648 HydrophobicContact CZ-CD2 4.09Å; F231-F652 HydrophobicContact CD1-CE1 4.3Å; F231-F652 HydrophobicContact CD1-CZ 4.29Å; F231-F652 AromaticContact CE1-CE1 3.8Å; F231-F652 HydrophobicContact CE1-CE1 3.8Å; F231-F652 HydrophobicContact CE1-CE2 4.19Å; F231-F652 AromaticContact CE1-CZ 3.53Å; F231-F652 HydrophobicContact CE1-CZ 3.53Å; F231-F652 HydrophobicContact CZ-CZ 4.4Å; F231-Y659 PolarHBondContact O-OH 2.82Å
232P65.7Low65.5Low44 Ų4467 Ų6729%0.28637%0.371SS..  trans-64.3111.3172.926.8-33.2000110.1A234 P655 Y659P232-A234 PolarHBondContact O-N 3.39Å; P232-P655 HydrophobicContact CB-CB 3.57Å; P232-P655 HydrophobicContact CG-CB 3.93Å; P232-Y659 VanDerWaalsContact CA-CE2 3.46Å; P232-Y659 HydrophobicContact CB-CD2 4.05Å; P232-Y659 HydrophobicContact CB-CE1 4.46Å; P232-Y659 HydrophobicContact CB-CE2 3.77Å
233M54.4Low62.8Low59 Ų5973.5 Ų73.529%0.29140%0.399SS..  trans-67.9100.8167.1-73.8-176.966.800107.8F231 N235 F253 K254F231-M233 PolarHBondContact O-N 2.83Å; M233-N235 PolarHBondContact O-N 3.24Å; M233-F253 HydrophobicContact CG-CB 4.13Å; M233-F253 HydrophobicContact SD-CB 3.97Å; M233-K254 HydrophobicContact CE-CG 4.09Å
234A44.2Very low60.1Low30 Ų3077.3 Ų77.325%0.24842%0.423CS..  trans-6794.2171.400000109.4P232 Q236 F246 K250P232-A234 PolarHBondContact O-N 3.39Å; A234-Q236 PolarHBondContact O-N 2.8Å; A234-F246 HydrophobicContact CB-CD1 4.43Å; A234-F246 HydrophobicContact CB-CE1 4.1Å; A234-K250 WeakPolarHBondContact O-CE 3.26Å; A234-K250 PolarHBondContact O-NZ 3.44Å
235N39.4Very low57.8Low137 Ų13781.1 Ų81.173%0.73344%0.437SS*.  trans-70.21.3161.3-88.5-5.2000112.4M233 S237M233-N235 PolarHBondContact O-N 3.24Å; N235-S237 PolarHBondContact O-N 2.8Å
236Q39.6Very low55.4Low131 Ų13185.7 Ų85.761%0.61246%0.457SS*.  trans-68.698177.8-72.4-179.415.200110.9A234 H238A234-Q236 PolarHBondContact O-N 2.8Å; Q236-H238 HydrophobicContact CB-CB 4.47Å; Q236-H238 PolarHBondContact O-N 3.01Å; Q236-H238 PolarHBondContact OE1-CD2 3.42Å
237S33.4Very low53Low111 Ų11191.5 Ų91.578%0.77648%0.481SS*.  trans-6270.2148.5166.20000108.7N235N235-S237 PolarHBondContact O-N 2.8Å
238H37.4Very low50.5Low142 Ų14294.1 Ų94.166%0.65750%0.496SS*.  trans-115.9116169.5-70.3-46.8000109.4Q236Q236-H238 HydrophobicContact CB-CB 4.47Å; Q236-H238 PolarHBondContact O-N 3.01Å; Q236-H238 PolarHBondContact OE1-CD2 3.42Å
239H39.1Very low48.5Very low176 Ų17694 Ų9482%0.81550%0.497SS*.SBendtrans8.1113.7168.1-64.8-12.3000118.8I241H239-I241 PolarHBondContact O-N 3.47Å
240G41.3Very low46.4Very low80 Ų8098.2 Ų98.283%0.82552%0.515SS*.SBendtrans70.9-20.9134.400000119.6K242G240-K242 PolarHBondContact O-N 3.29Å
241I42.2Very low44.3Very low141 Ų141105 Ų10572%0.72354%0.539SS*.  trans-88.585.1-174.2-54.6175.7000109.1H239 K243H239-I241 PolarHBondContact O-N 3.47Å; I241-K243 HydrophobicContact CG2-CG 4.17Å; I241-K243 PolarHBondContact O-N 3.06Å
242K37.9Very low42.5Very low205 Ų205105.6 Ų105.689%0.89154%0.543SS*.  trans-68.873.9172.3-66.1-178.3-179.9177.30110.6G240G240-K242 PolarHBondContact O-N 3.29Å
243K40.5Very low41.4Very low135 Ų135104.2 Ų104.259%0.58753%0.532SS*.  trans-76.5123.6163.6-81.4-175.2-178.1-177.10108.6I241 Y245 F246I241-K243 HydrophobicContact CG2-CG 4.17Å; I241-K243 PolarHBondContact O-N 3.06Å; K243-Y245 PolarHBondContact O-N 3.34Å; K243-Y245 VanDerWaalsContact O-N 3.14Å; K243-F246 HydrophobicContact CB-CD2 4.08Å; K243-F246 PolarHBondContact O-N 3.13Å; K243-F246 VanDerWaalsContact O-N 3.11Å
244P40.4Very low40.9Very low111 Ų111109 Ų10972%0.72155%0.551SS**Hα-helixtrans-59.3-30.5-173.219.9-30.7000113.2F246 H247 T248P244-F246 VanDerWaalsContact C-N 3.29Å; P244-F246 PolarHBondContact O-N 2.82Å; P244-H247 PolarHBondContact O-N 3.34Å; P244-T248 PolarHBondContact O-OG1 2.96Å
245Y47.2Very low41Very low83 Ų83114.9 Ų114.933%0.32558%0.578SS.*Hα-helixtrans-57.5-36.5177.2-176.1-99.5000113.6K243 H247 T248 V249 L648K243-Y245 PolarHBondContact O-N 3.34Å; K243-Y245 VanDerWaalsContact O-N 3.14Å; Y245-H247 PolarHBondContact O-N 3.07Å; Y245-T248 PolarHBondContact O-N 3.45Å; Y245-V249 HydrophobicContact CD1-CG2 4.03Å; Y245-V249 HydrophobicContact CE1-CG2 3.56Å; Y245-V249 HydrophobicContact CE2-CG2 4.15Å; Y245-V249 WeakPolarHBondContact O-CG2 3.46Å; Y245-V249 PolarHBondContact O-N 2.84Å; Y245-V249 VanDerWaalsContact O-N 3.16Å; Y245-L648 HydrophobicContact CE2-CD2 4.05Å; Y245-L648 WeakPolarHBondContact OH-CD2 3.32Å
246F43.4Very low41.6Very low108 Ų108109.5 Ų109.547%0.47455%0.553SS.*Hα-helixtrans-68.9-31.9-177.9-86.8-82.9000113.1A234 K243 P244 V249 K250A234-F246 HydrophobicContact CB-CD1 4.43Å; A234-F246 HydrophobicContact CB-CE1 4.1Å; K243-F246 HydrophobicContact CB-CD2 4.08Å; K243-F246 PolarHBondContact O-N 3.13Å; K243-F246 VanDerWaalsContact O-N 3.11Å; P244-F246 VanDerWaalsContact C-N 3.29Å; P244-F246 PolarHBondContact O-N 2.82Å; F246-V249 PolarHBondContact O-N 3.37Å; F246-K250 WeakPolarHBondContact O-CB 3.02Å; F246-K250 PolarHBondContact O-N 3.46Å
247H41.8Very low42.9Very low160 Ų160106.2 Ų106.274%0.74154%0.544SS*.Hα-helixtrans-70.3-37.6179.8-142.9-69.8000111.3P244 Y245 W251P244-H247 PolarHBondContact O-N 3.34Å; Y245-H247 PolarHBondContact O-N 3.07Å; H247-W251 WeakPolarHBondContact O-CB 3.34Å; H247-W251 PolarHBondContact O-N 3.46Å
248T40.3Very low45Very low80 Ų80101.7 Ų101.749%0.49151%0.511SS..Hα-helixtrans-63-49.1174.5-38.80000110.1P244 Y245 L252P244-T248 PolarHBondContact O-OG1 2.96Å; Y245-T248 PolarHBondContact O-N 3.45Å; T248-L252 HydrophobicContact CG2-CD1 4.02Å; T248-L252 WeakPolarHBondContact O-CB 3.24Å; T248-L252 VanDerWaalsContact O-CD1 3.24Å; T248-L252 WeakPolarHBondContact O-CD1 3.4Å; T248-L252 WeakPolarHBondContact O-CG 3.26Å; T248-L252 PolarHBondContact O-N 2.89Å
249V44.8Very low47.4Very low16 Ų1695.6 Ų95.610%0.09748%0.483CS..Hα-helixtrans-69.1-48.1-177.7175.90000112.2F231 Y245 F246 W251 L252 F253F231-V249 HydrophobicContact CB-CG1 4.06Å; F231-V249 HydrophobicContact CG-CG1 4.47Å; Y245-V249 HydrophobicContact CD1-CG2 4.03Å; Y245-V249 HydrophobicContact CE1-CG2 3.56Å; Y245-V249 HydrophobicContact CE2-CG2 4.15Å; Y245-V249 WeakPolarHBondContact O-CG2 3.46Å; Y245-V249 PolarHBondContact O-N 2.84Å; Y245-V249 VanDerWaalsContact O-N 3.16Å; F246-V249 PolarHBondContact O-N 3.37Å; V249-W251 PolarHBondContact O-N 3.42Å; V249-L252 PolarHBondContact O-N 3.23Å; V249-F253 HydrophobicContact CG1-CD2 3.86Å; V249-F253 HydrophobicContact CG1-CE2 3.87Å; V249-F253 WeakPolarHBondContact O-CD2 3.43Å
250K42.7Very low49.8Very low88 Ų8887.6 Ų87.638%0.38345%0.447SS..Hα-helixtrans-61.8-31.1-175.7-154.9177.8-165.6164.20112.8A234 F246A234-K250 WeakPolarHBondContact O-CE 3.26Å; A234-K250 PolarHBondContact O-NZ 3.44Å; F246-K250 WeakPolarHBondContact O-CB 3.02Å; F246-K250 PolarHBondContact O-N 3.46Å
251W38.8Very low52.3Low155 Ų15586.4 Ų86.459%0.58742%0.419SS*.Hα-helixtrans-83.6-32.6177.9-173.179.6000113.3K176 H247 V249 F253K176-W251 HydrophobicContact CB-CH2 3.66Å; K176-W251 HydrophobicContact CB-CZ2 4.48Å; K176-W251 HydrophobicContact CB-CZ3 4.01Å; K176-W251 HydrophobicContact CD-CH2 3.76Å; K176-W251 HydrophobicContact CD-CZ2 4.04Å; K176-W251 HydrophobicContact CG-CH2 3.7Å; K176-W251 HydrophobicContact CG-CZ2 4.47Å; K176-W251 HydrophobicContact CG-CZ3 4.44Å; H247-W251 WeakPolarHBondContact O-CB 3.34Å; H247-W251 PolarHBondContact O-N 3.46Å; V249-W251 PolarHBondContact O-N 3.42Å; W251-F253 VanDerWaalsContact C-N 3.29Å; W251-F253 PolarHBondContact O-N 3.25Å
252L38.4Very low54.8Low25 Ų2580 Ų8013%0.13139%0.386CS..Hα-helixtrans-62.2-31.4178.7-78165.5000113.4K176 T248 V249K176-L252 WeakPolarHBondContact O-CD2 3.31Å; T248-L252 HydrophobicContact CG2-CD1 4.02Å; T248-L252 WeakPolarHBondContact O-CB 3.24Å; T248-L252 VanDerWaalsContact O-CD1 3.24Å; T248-L252 WeakPolarHBondContact O-CD1 3.4Å; T248-L252 WeakPolarHBondContact O-CG 3.26Å; T248-L252 PolarHBondContact O-N 2.89Å; V249-L252 PolarHBondContact O-N 3.23Å
253F42.2Very low57.7Low16 Ų1670.8 Ų70.87%0.0735%0.347CS..Hα-helixtrans-106.8-10.6-166.4-67.3-69000116.6F231 M233 V249 W251 N255 A256 F258F231-F253 HydrophobicContact CB-CE2 4.25Å; F231-F253 HydrophobicContact CD2-CD2 4.48Å; F231-F253 HydrophobicContact CD2-CE1 4.12Å; F231-F253 AromaticContact CD2-CE2 3.49Å; F231-F253 HydrophobicContact CD2-CE2 3.49Å; F231-F253 VanDerWaalsContact CD2-CE2 3.49Å; F231-F253 AromaticContact CD2-CZ 3.27Å; F231-F253 HydrophobicContact CD2-CZ 3.27Å; F231-F253 HydrophobicContact CE2-CE2 4.16Å; F231-F253 AromaticContact CE2-CZ 3.67Å; F231-F253 HydrophobicContact CE2-CZ 3.67Å; F231-F253 HydrophobicContact CG-CE2 4.12Å; F231-F253 HydrophobicContact CG-CZ 4.31Å; M233-F253 HydrophobicContact CG-CB 4.13Å; M233-F253 HydrophobicContact SD-CB 3.97Å; V249-F253 HydrophobicContact CG1-CD2 3.86Å; V249-F253 HydrophobicContact CG1-CE2 3.87Å; V249-F253 WeakPolarHBondContact O-CD2 3.43Å; W251-F253 VanDerWaalsContact C-N 3.29Å; W251-F253 PolarHBondContact O-N 3.25Å; F253-N255 PolarHBondContact O-N 3.25Å; F253-A256 PolarHBondContact O-N 2.9Å; F253-F258 AromaticContact CD1-CE1 3.92Å; F253-F258 HydrophobicContact CD1-CE1 3.92Å; F253-F258 AromaticContact CE1-CE1 3.83Å; F253-F258 HydrophobicContact CE1-CE1 3.83Å; F253-F258 HydrophobicContact CE1-CZ 4.27Å
254K44.3Very low60.4Low159 Ų15964.5 Ų64.569%0.69132%0.32SS*.THydrogen-bonded Turntrans-57-23.9-173.5-121.3-175.7-179-1740114.5M233M233-K254 HydrophobicContact CE-CG 4.09Å
255N45.3Very low63.2Low153 Ų15359.2 Ų59.282%0.81829%0.285SS*.THydrogen-bonded Turntrans-128.212.6-172.6-65.2-5.5000114.5F253F253-N255 PolarHBondContact O-N 3.25Å
256A52.9Low65.6Low24 Ų2455.3 Ų55.320%0.19827%0.27CS..  trans-123.194.7-177.300000110.9V177 F253V177-A256 HydrophobicContact CG1-CB 3.59Å; V177-A256 HydrophobicContact CG2-CB 4.47Å; F253-A256 PolarHBondContact O-N 2.9Å
257C66.4Low68.2Low63 Ų6350.1 Ų50.143%0.42625%0.247SC..  trans-80.7118.7163-169.20000107.9
258F78.4Confident70.7Confident16 Ų1644.8 Ų44.87%0.0722%0.222CC..  trans-122.1147.4171.154.4-89.6000107.8L179 I228 F253 V260 G663L179-F258 HydrophobicContact CD2-CB 4.21Å; L179-F258 HydrophobicContact CD2-CD1 3.57Å; L179-F258 HydrophobicContact CD2-CE1 4.06Å; L179-F258 HydrophobicContact CD2-CG 3.9Å; I228-F258 HydrophobicContact CB-CD2 3.96Å; I228-F258 HydrophobicContact CB-CE2 3.97Å; I228-F258 HydrophobicContact CD1-CB 4.39Å; I228-F258 HydrophobicContact CD1-CD2 4.22Å; I228-F258 HydrophobicContact CD1-CG 4.48Å; I228-F258 HydrophobicContact CG2-CD2 3.67Å; I228-F258 HydrophobicContact CG2-CE2 3.43Å; I228-F258 VanDerWaalsContact CG2-CE2 3.43Å; I228-F258 HydrophobicContact CG2-CG 4.32Å; I228-F258 HydrophobicContact CG2-CZ 3.91Å; F253-F258 AromaticContact CD1-CE1 3.92Å; F253-F258 HydrophobicContact CD1-CE1 3.92Å; F253-F258 AromaticContact CE1-CE1 3.83Å; F253-F258 HydrophobicContact CE1-CE1 3.83Å; F253-F258 HydrophobicContact CE1-CZ 4.27Å; F258-V260 HydrophobicContact CD2-CG2 3.95Å; F258-V260 HydrophobicContact CE2-CG2 3.69Å; F258-G663 WeakPolarHBondContact O-CA 3.44Å
259P87Confident73.2Confident13 Ų1341.6 Ų41.68%0.08420%0.203CC..  trans-71.9135.3-176.830.9-33.4000110F261 I622 R623 Y666P259-F261 HydrophobicContact CB-CD2 4.18Å; P259-F261 HydrophobicContact CB-CE2 3.56Å; P259-F261 HydrophobicContact CB-CZ 4.25Å; P259-F261 HydrophobicContact CG-CE2 4.14Å; P259-I622 HydrophobicContact CG-CG2 4.27Å; P259-R623 HydrophobicContact CG-CG 4.04Å; P259-Y666 WeakPolarHBondContact CB-O 3.24Å
260V89.7Confident75.3Confident9 Ų945 Ų456%0.05522%0.218CC..BIsolated β-bridgetrans-116.3115.9175.9178.70000107.7F258 V320 P661 G663 Y664 C665F258-V260 HydrophobicContact CD2-CG2 3.95Å; F258-V260 HydrophobicContact CE2-CG2 3.69Å; V260-V320 HydrophobicContact CG1-CG2 3.84Å; V260-P661 HydrophobicContact CG1-CG 4.22Å; V260-P661 HydrophobicContact CG2-CB 4.39Å; V260-G663 PolarHBondContact N-O 2.85Å; V260-Y664 CarbonylContact O-C 3.29Å; V260-Y664 WeakPolarHBondContact O-CA 3.15Å; V260-C665 PolarHBondContact O-N 3.42Å
261F93Very high77.4Confident55 Ų5548.9 Ų48.924%0.24124%0.237CC..  trans-109.1148.1-179.6-70.7-79.3000111.3P259 D424 D667P259-F261 HydrophobicContact CB-CD2 4.18Å; P259-F261 HydrophobicContact CB-CE2 3.56Å; P259-F261 HydrophobicContact CB-CZ 4.25Å; P259-F261 HydrophobicContact CG-CE2 4.14Å; F261-D424 HydrophobicContact CD1-CB 3.59Å; F261-D424 HydrophobicContact CE1-CB 3.9Å; F261-D667 HydrophobicContact CE1-CB 4.49Å; F261-D667 HydrophobicContact CZ-CB 3.67Å
262P95.8Very high79.7Confident5 Ų542.9 Ų42.93%0.03222%0.219CC..PPolyproline II helixtrans-69.8143.2177.227.9-32.5000112.3Y264 V320 R322 D424P262-Y264 HydrophobicContact CG-CE2 4.19Å; P262-V320 CarbonylContact C-O 3.52Å; P262-V320 WeakPolarHBondContact CA-O 3.32Å; P262-V320 HydrophobicContact CB-CG1 4.16Å; P262-R322 HydrophobicContact CB-CB 3.61Å; P262-R322 HydrophobicContact CG-CB 4.3Å; P262-D424 WeakPolarHBondContact CG-OD2 3.34Å
263L97.9Very high81.7Confident13 Ų1345.2 Ų45.27%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-94.3117.3168.8-60.9178.9000109.1L187 A218 F219 P227 L319 V320 F321 R322L187-L263 HydrophobicContact CD2-CD1 3.99Å; A218-L263 HydrophobicContact CB-CD2 3.8Å; F219-L263 HydrophobicContact CE1-CD1 4.43Å; F219-L263 HydrophobicContact CE2-CB 3.78Å; F219-L263 HydrophobicContact CE2-CD1 4.38Å; F219-L263 HydrophobicContact CZ-CB 3.87Å; F219-L263 HydrophobicContact CZ-CD1 3.92Å; F219-L263 HydrophobicContact CZ-CG 4.5Å; P227-L263 HydrophobicContact CG-CD1 4.3Å; L263-L319 HydrophobicContact CD1-CD1 4.3Å; L263-L319 HydrophobicContact CD1-CD2 4.35Å; L263-V320 PolarHBondContact N-O 3.27Å; L263-F321 HydrophobicContact CB-CD1 4.21Å; L263-F321 HydrophobicContact CD1-CE1 4.45Å; L263-F321 CarbonylContact O-C 3.49Å; L263-F321 VanDerWaalsContact O-CA 3.27Å; L263-F321 WeakPolarHBondContact O-CA 3.45Å; L263-R322 PolarHBondContact O-N 2.94Å
264Y98.2Very high83.7Confident3 Ų355.8 Ų55.81%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-73.8130.6-175-79.1-113.4000111.3L215 S216 P262 M311 R322 V324 P418 E420 D424L215-Y264 PolarHBondContact N-O 3.49Å; S216-Y264 PolarHBondContact OG-N 2.76Å; P262-Y264 HydrophobicContact CG-CE2 4.19Å; Y264-M311 HydrophobicContact CE1-SD 4.13Å; Y264-R322 WeakPolarHBondContact CA-O 3.34Å; Y264-R322 HydrophobicContact CD1-CG 4.35Å; Y264-R322 HydrophobicContact CD2-CB 4.43Å; Y264-R322 HydrophobicContact CE1-CG 4.18Å; Y264-R322 HydrophobicContact CG-CB 4.45Å; Y264-R322 PolarHBondContact OH-NH1 2.86Å; Y264-V324 HydrophobicContact CD1-CG2 3.75Å; Y264-V324 HydrophobicContact CE1-CG2 4.32Å; Y264-P418 HydrophobicContact CD1-CG 3.4Å; Y264-P418 VanDerWaalsContact CD1-CG 3.4Å; Y264-P418 HydrophobicContact CD2-CG 4.02Å; Y264-P418 HydrophobicContact CE1-CG 3.92Å; Y264-P418 HydrophobicContact CE2-CG 4.49Å; Y264-P418 HydrophobicContact CG-CG 3.44Å; Y264-P418 VanDerWaalsContact CG-CG 3.44Å; Y264-E420 HydrophobicContact CE1-CB 3.87Å; Y264-E420 PolarHBondContact OH-O 2.84Å; Y264-D424 PolarHBondContact OH-OD1 3.04Å
265V98.7Very high85.8Confident0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-133.4125.8176.8171.90000107.8M191 L194 I212 L213 F219 F321 R322 I323 V324M191-V265 HydrophobicContact CE-CG1 3.76Å; M191-V265 HydrophobicContact CE-CG2 4.11Å; M191-V265 HydrophobicContact SD-CG1 4.5Å; M191-V265 HydrophobicContact SD-CG2 3.89Å; L194-V265 HydrophobicContact CD2-CB 4.39Å; L194-V265 HydrophobicContact CD2-CG1 4.26Å; L194-V265 HydrophobicContact CD2-CG2 3.96Å; I212-V265 HydrophobicContact CG2-CG1 3.57Å; L213-V265 CarbonylContact O-C 3.52Å; L213-V265 WeakPolarHBondContact O-CA 3.44Å; F219-V265 HydrophobicContact CE2-CG2 4.31Å; F219-V265 HydrophobicContact CZ-CG2 4.33Å; V265-F321 HydrophobicContact CG2-CD1 4Å; V265-R322 PolarHBondContact N-O 3.3Å; V265-I323 HydrophobicContact CB-CD1 3.94Å; V265-I323 HydrophobicContact CG1-CD1 4.2Å; V265-I323 CarbonylContact O-C 3.15Å; V265-I323 VanDerWaalsContact O-CA 3.28Å; V265-I323 WeakPolarHBondContact O-CA 3.45Å; V265-V324 PolarHBondContact O-N 3.27Å
266I97.9Very high88Confident0 Ų043.2 Ų43.20%023%0.229CC..EExtended strand (participates in β ladder)trans-92.3138.4175.1-168.4167000110.4I212 L213 L215 V324 N375 P379I212-I266 CarbonylContact C-O 3.44Å; I212-I266 WeakPolarHBondContact CA-O 3.39Å; L213-I266 HydrophobicContact CB-CG2 3.73Å; L213-I266 PolarHBondContact N-O 3.16Å; L213-I266 PolarHBondContact O-N 3.22Å; L215-I266 HydrophobicContact CD1-CB 3.97Å; L215-I266 HydrophobicContact CD1-CG2 4.33Å; L215-I266 HydrophobicContact CD2-CB 4.38Å; L215-I266 HydrophobicContact CD2-CG2 3.82Å; L215-I266 HydrophobicContact CG-CB 4.24Å; L215-I266 HydrophobicContact CG-CG2 4.12Å; I266-V324 CarbonylContact C-O 2.99Å; I266-V324 WeakPolarHBondContact CA-O 3.16Å; I266-V324 HydrophobicContact CB-CB 4.4Å; I266-V324 HydrophobicContact CG1-CB 4.31Å; I266-V324 HydrophobicContact CG1-CG1 4.37Å; I266-N375 HydrophobicContact CD1-CB 4.21Å; I266-P379 HydrophobicContact CD1-CG 4.1Å; I266-P379 HydrophobicContact CG2-CB 4.37Å; I266-P379 HydrophobicContact CG2-CG 4.1Å
267I97.5Very high89.8Confident0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-113.5140168.465.5170.3000110.1L198 I209 G211 I212 L269 M293 I323 V324 I325 S326L198-I267 HydrophobicContact CD1-CG2 4.02Å; I209-I267 HydrophobicContact CD1-CD1 4.21Å; I209-I267 HydrophobicContact CG1-CD1 4.35Å; I209-I267 HydrophobicContact CG2-CB 4.1Å; I209-I267 HydrophobicContact CG2-CG2 4.31Å; G211-I267 CarbonylContact O-C 3.53Å; G211-I267 VanDerWaalsContact O-CA 3.26Å; G211-I267 WeakPolarHBondContact O-CA 3.19Å; I212-I267 HydrophobicContact CB-CG2 4.49Å; I212-I267 HydrophobicContact CG1-CG2 4.11Å; I212-I267 HydrophobicContact CG2-CG2 4.22Å; I267-L269 HydrophobicContact CD1-CD2 4.32Å; I267-M293 HydrophobicContact CD1-CE 3.84Å; I267-M293 HydrophobicContact CD1-SD 4.3Å; I267-I323 HydrophobicContact CB-CG2 4.34Å; I267-I323 HydrophobicContact CD1-CG2 3.86Å; I267-I323 HydrophobicContact CG1-CG2 3.84Å; I267-I323 HydrophobicContact CG2-CG2 3.65Å; I267-V324 PolarHBondContact N-O 3.43Å; I267-I325 HydrophobicContact CD1-CD1 4.24Å; I267-I325 HydrophobicContact CD1-CG1 3.92Å; I267-I325 HydrophobicContact CD1-CG2 4.44Å; I267-I325 HydrophobicContact CG1-CB 4.31Å; I267-I325 HydrophobicContact CG1-CG1 4.04Å; I267-I325 HydrophobicContact CG1-CG2 4.35Å; I267-S326 WeakPolarHBondContact O-CB 3.28Å; I267-S326 PolarHBondContact O-N 3.3Å
268H94.6Very high90.9Very high47 Ų4749.3 Ų49.322%0.21825%0.254CS..EExtended strand (participates in β ladder)trans-103.9132171.8-66.581.2000108.4T210 G211T210-H268 PolarHBondContact N-O 3.47Å; T210-H268 WeakPolarHBondContact OG1-CB 3.21Å; T210-H268 PolarHBondContact OG1-O 3.26Å; G211-H268 PolarHBondContact N-O 2.81Å; G211-H268 PolarHBondContact O-N 3.18Å
269L92.3Very high91.4Very high14 Ų1448.9 Ų48.97%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-93.6156.1174-59.5178.8000110.4I209 I267 W275 L289 I325 S326I209-L269 HydrophobicContact CG1-CD2 4.13Å; I267-L269 HydrophobicContact CD1-CD2 4.32Å; L269-W275 HydrophobicContact CD1-CZ2 4.04Å; L269-L289 HydrophobicContact CD1-CD2 3.43Å; L269-L289 VanDerWaalsContact CD1-CD2 3.43Å; L269-I325 HydrophobicContact CD1-CG2 3.56Å; L269-I325 HydrophobicContact CG-CG2 3.97Å; L269-S326 PolarHBondContact N-O 2.93Å
270E89.6Confident91.6Very high88 Ų8852.4 Ų52.441%0.41127%0.271SS..PPolyproline II helixtrans-57.5148.7167.7-168.1178.2170.400111.5N208 T210N208-E270 PolarHBondContact ND2-OE2 2.84Å; N208-E270 PolarHBondContact O-N 3.33Å; T210-E270 HydrophobicContact CG2-CB 4.14Å
271Q87.4Confident91.7Very high168 Ų16853.9 Ų53.979%0.78528%0.283SS*.PPolyproline II helixtrans-65.5140.9174.8-67-171.84.800110.4
272S85.1Confident91.7Very high30 Ų3051.2 Ų51.221%0.2127%0.272CS..  trans-149.4136.6178.6-177.80000111.6R274S272-R274 VanDerWaalsContact C-N 3.3Å; S272-R274 PolarHBondContact OG-N 2.98Å
273G82.1Confident91.5Very high74 Ų7452.7 Ų52.776%0.76328%0.277SS*.THydrogen-bonded Turntrans-78.2-12.5171.700000113.8W275G273-W275 VanDerWaalsContact C-N 3.3Å; G273-W275 PolarHBondContact O-N 3.48Å
274R84.2Confident91.2Very high237 Ų23758 Ų5889%0.89430%0.301SS*.THydrogen-bonded Turntrans-78.5-10.3-172-61.7-173.8-178.4-175.50.8114.6S272S272-R274 VanDerWaalsContact C-N 3.3Å; S272-R274 PolarHBondContact OG-N 2.98Å
275W88.2Confident90.9Very high18 Ų1862 Ų627%0.06832%0.321CS..SBendtrans-62.8144.1177.4-72.1105.8000111.1L207 L269 G273 F282 M285 K286 L289 Q327 K329L207-W275 HydrophobicContact CD1-CZ2 3.48Å; L207-W275 VanDerWaalsContact CD1-CZ2 3.48Å; L269-W275 HydrophobicContact CD1-CZ2 4.04Å; G273-W275 VanDerWaalsContact C-N 3.3Å; G273-W275 PolarHBondContact O-N 3.48Å; W275-F282 HydrophobicContact CB-CD2 3.96Å; W275-F282 HydrophobicContact CB-CE2 3.88Å; W275-F282 HydrophobicContact CD2-CD2 4.24Å; W275-F282 AromaticContact CD2-CE2 3.7Å; W275-F282 HydrophobicContact CD2-CE2 3.7Å; W275-F282 HydrophobicContact CD2-CZ 4.4Å; W275-F282 AromaticContact CE3-CD2 3.88Å; W275-F282 HydrophobicContact CE3-CD2 3.88Å; W275-F282 AromaticContact CE3-CE2 3.65Å; W275-F282 HydrophobicContact CE3-CE2 3.65Å; W275-F282 HydrophobicContact CE3-CZ 4.23Å; W275-F282 HydrophobicContact CG-CD2 4.31Å; W275-F282 AromaticContact CG-CE2 3.81Å; W275-F282 HydrophobicContact CG-CE2 3.81Å; W275-F282 HydrophobicContact CZ3-CE2 4.42Å; W275-M285 HydrophobicContact CE3-CB 4.25Å; W275-M285 HydrophobicContact CE3-CG 3.88Å; W275-M285 HydrophobicContact CZ3-CB 4Å; W275-M285 HydrophobicContact CZ3-CG 3.63Å; W275-K286 HydrophobicContact CZ3-CB 4.47Å; W275-L289 HydrophobicContact CH2-CD2 4.08Å; W275-L289 HydrophobicContact CZ2-CD2 4.44Å; W275-Q327 HydrophobicContact CZ2-CG 4.02Å; W275-K329 HydrophobicContact CB-CD 3.68Å; W275-K329 PolarHBondContact O-NZ 3.03Å
276P91.9Very high90.6Very high30 Ų3062.9 Ų62.920%0.19532%0.324CS..  trans-55.6157.6173.9-26.235.9000113.1A281 M285 K329P276-A281 HydrophobicContact CB-CB 3.74Å; P276-A281 HydrophobicContact CG-CB 4.15Å; P276-M285 HydrophobicContact CG-CB 4.21Å; P276-M285 HydrophobicContact CG-CE 4.5Å; P276-K329 VanDerWaalsContact O-CE 3.32Å; P276-K329 WeakPolarHBondContact O-CE 3.44Å; P276-K329 PolarHBondContact O-NZ 3.13Å; P276-K329 VanDerWaalsContact O-NZ 3.14Å
277N89.1Confident90.3Very high127 Ų12766.8 Ų66.868%0.67934%0.339SS*.SBendtrans-96.3-8.3174.7-71.4-27.8000113.1K329 L333N277-K329 WeakPolarHBondContact OD1-CE 3.39Å; N277-K329 PolarHBondContact OD1-NZ 3.3Å; N277-L333 WeakPolarHBondContact O-CD2 3.38Å
278D91Very high90.1Very high89 Ų8971.7 Ų71.748%0.47637%0.365SS..SBendtrans-95.9141.1172.3170.858.8000109.9D280 A281 F282D278-D280 PolarHBondContact OD2-N 3.06Å; D278-A281 HydrophobicContact CB-CB 3.98Å; D278-A281 WeakPolarHBondContact OD2-CB 3.17Å; D278-A281 PolarHBondContact OD2-N 2.65Å; D278-F282 WeakPolarHBondContact O-CB 3.31Å; D278-F282 PolarHBondContact O-N 3.48Å
279L89Confident90.1Very high7 Ų770 Ų704%0.03736%0.357CS..Hα-helixtrans-70.5-40.7-172.7-178.262.8000112F282 R283 L333 I334 L337L279-F282 WeakPolarHBondContact O-CB 3.15Å; L279-F282 PolarHBondContact O-N 2.9Å; L279-R283 WeakPolarHBondContact O-CG 3.47Å; L279-R283 PolarHBondContact O-N 3.1Å; L279-L333 HydrophobicContact CB-CB 4.4Å; L279-L333 HydrophobicContact CD1-CB 3.85Å; L279-I334 HydrophobicContact CD1-CG1 4.06Å; L279-I334 HydrophobicContact CD2-CG1 4.36Å; L279-L337 HydrophobicContact CD2-CD2 3.62Å
280D89.3Confident90.2Very high87 Ų8769.3 Ų69.347%0.46535%0.354SS..Hα-helixtrans-72.6-43.5-179.1-67.5-33.3000110.7D278 F282 R283 H284D278-D280 PolarHBondContact OD2-N 3.06Å; D280-F282 PolarHBondContact O-N 3.34Å; D280-R283 PolarHBondContact O-N 3.05Å; D280-R283 VanDerWaalsContact O-N 3.15Å; D280-R283 IonicContact OD1-NH1 2.88Å; D280-R283 PolarHBondContact OD1-NH1 3.17Å; D280-H284 PolarHBondContact O-CD2 3.28Å; D280-H284 PolarHBondContact O-N 3.38Å
281A92.8Very high90.5Very high39 Ų3968 Ų6832%0.32235%0.349SS..Hα-helixtrans-56.7-39.9169.600000112P276 D278 H284 M285P276-A281 HydrophobicContact CB-CB 3.74Å; P276-A281 HydrophobicContact CG-CB 4.15Å; D278-A281 HydrophobicContact CB-CB 3.98Å; D278-A281 WeakPolarHBondContact OD2-CB 3.17Å; D278-A281 PolarHBondContact OD2-N 2.65Å; A281-H284 PolarHBondContact O-N 3.39Å; A281-M285 WeakPolarHBondContact O-CB 3.4Å; A281-M285 PolarHBondContact O-N 3.02Å
282F92.8Very high90.9Very high0 Ų065 Ų650%033%0.331CS..Hα-helixtrans-62.2-48174.8179.8-81.6000111.7W275 D278 L279 D280 H284 M285 K286 Q327 K329 E330 L333W275-F282 HydrophobicContact CB-CD2 3.96Å; W275-F282 HydrophobicContact CB-CE2 3.88Å; W275-F282 HydrophobicContact CD2-CD2 4.24Å; W275-F282 AromaticContact CD2-CE2 3.7Å; W275-F282 HydrophobicContact CD2-CE2 3.7Å; W275-F282 HydrophobicContact CD2-CZ 4.4Å; W275-F282 AromaticContact CE3-CD2 3.88Å; W275-F282 HydrophobicContact CE3-CD2 3.88Å; W275-F282 AromaticContact CE3-CE2 3.65Å; W275-F282 HydrophobicContact CE3-CE2 3.65Å; W275-F282 HydrophobicContact CE3-CZ 4.23Å; W275-F282 HydrophobicContact CG-CD2 4.31Å; W275-F282 AromaticContact CG-CE2 3.81Å; W275-F282 HydrophobicContact CG-CE2 3.81Å; W275-F282 HydrophobicContact CZ3-CE2 4.42Å; D278-F282 WeakPolarHBondContact O-CB 3.31Å; D278-F282 PolarHBondContact O-N 3.48Å; L279-F282 WeakPolarHBondContact O-CB 3.15Å; L279-F282 PolarHBondContact O-N 2.9Å; D280-F282 PolarHBondContact O-N 3.34Å; F282-H284 VanDerWaalsContact C-N 3.34Å; F282-H284 PolarHBondContact O-N 2.9Å; F282-M285 PolarHBondContact O-N 3.18Å; F282-K286 HydrophobicContact CE1-CD 4.21Å; F282-K286 WeakPolarHBondContact O-CB 3.34Å; F282-K286 PolarHBondContact O-N 3.38Å; F282-Q327 HydrophobicContact CZ-CB 4.17Å; F282-Q327 HydrophobicContact CZ-CG 4.31Å; F282-Q327 VanDerWaalsContact CZ-OE1 3.27Å; F282-K329 HydrophobicContact CE2-CB 4.31Å; F282-E330 HydrophobicContact CD1-CB 4.43Å; F282-E330 HydrophobicContact CD1-CG 4.18Å; F282-E330 HydrophobicContact CE1-CB 3.59Å; F282-E330 HydrophobicContact CE1-CG 3.61Å; F282-E330 HydrophobicContact CZ-CB 3.73Å; F282-E330 HydrophobicContact CZ-CG 4.28Å; F282-L333 HydrophobicContact CB-CD1 3.66Å; F282-L333 HydrophobicContact CD2-CD1 3.71Å; F282-L333 HydrophobicContact CG-CD1 3.73Å
283R91Very high91.4Very high35 Ų3563.6 Ų63.613%0.13232%0.321CS..Hα-helixtrans-61.4-40.2177.6-73.7169.4174.2163-5.3111.7L279 D280 K286 R287 N310 E367L279-R283 WeakPolarHBondContact O-CG 3.47Å; L279-R283 PolarHBondContact O-N 3.1Å; D280-R283 PolarHBondContact O-N 3.05Å; D280-R283 VanDerWaalsContact O-N 3.15Å; D280-R283 IonicContact OD1-NH1 2.88Å; D280-R283 PolarHBondContact OD1-NH1 3.17Å; R283-K286 WeakPolarHBondContact O-CB 3.24Å; R283-K286 PolarHBondContact O-N 2.99Å; R283-R287 PolarHBondContact O-N 3.39Å; R283-N310 PolarHBondContact O-ND2 2.97Å; R283-E367 IonicContact CZ-OE1 3.55Å; R283-E367 IonicContact NH2-OE1 3.06Å; R283-E367 PolarHBondContact NH2-OE1 3.41Å; R283-E367 IonicContact NH2-OE2 2.77Å
284H91.6Very high92.1Very high124 Ų12462.8 Ų62.857%0.57430%0.297SS*.Hα-helixtrans-64.4-43.5174.1-73.5-59.4000112.5D280 A281 F282 K286 R287 L288D280-H284 PolarHBondContact O-CD2 3.28Å; D280-H284 PolarHBondContact O-N 3.38Å; A281-H284 PolarHBondContact O-N 3.39Å; F282-H284 VanDerWaalsContact C-N 3.34Å; F282-H284 PolarHBondContact O-N 2.9Å; H284-K286 VanDerWaalsContact C-N 3.32Å; H284-K286 PolarHBondContact O-N 2.9Å; H284-R287 WeakPolarHBondContact O-CB 3.29Å; H284-R287 PolarHBondContact O-N 3.04Å; H284-L288 PolarHBondContact O-N 2.99Å
285M92.5Very high92.7Very high87 Ų8755.9 Ų55.943%0.42928%0.275SS..Hα-helixtrans-63.7-38.8175.4-171.765.875.500111.6W275 P276 A281 F282 L288 L289W275-M285 HydrophobicContact CE3-CB 4.25Å; W275-M285 HydrophobicContact CE3-CG 3.88Å; W275-M285 HydrophobicContact CZ3-CB 4Å; W275-M285 HydrophobicContact CZ3-CG 3.63Å; P276-M285 HydrophobicContact CG-CB 4.21Å; P276-M285 HydrophobicContact CG-CE 4.5Å; A281-M285 WeakPolarHBondContact O-CB 3.4Å; A281-M285 PolarHBondContact O-N 3.02Å; F282-M285 PolarHBondContact O-N 3.18Å; M285-L288 WeakPolarHBondContact O-CB 3.3Å; M285-L288 PolarHBondContact O-N 3.1Å; M285-L288 HydrophobicContact SD-CD2 4.27Å; M285-L289 PolarHBondContact O-N 3.16Å
286K91.9Very high93.1Very high19 Ų1955.9 Ų55.98%0.08328%0.276CS..Hα-helixtrans-61.9-45.2173.7-171.9177-177.5176.50110.9W275 F282 R283 H284 L288 L289 V290 N310 I325 E330W275-K286 HydrophobicContact CZ3-CB 4.47Å; F282-K286 HydrophobicContact CE1-CD 4.21Å; F282-K286 WeakPolarHBondContact O-CB 3.34Å; F282-K286 PolarHBondContact O-N 3.38Å; R283-K286 WeakPolarHBondContact O-CB 3.24Å; R283-K286 PolarHBondContact O-N 2.99Å; H284-K286 VanDerWaalsContact C-N 3.32Å; H284-K286 PolarHBondContact O-N 2.9Å; K286-L288 VanDerWaalsContact C-N 3.33Å; K286-L288 PolarHBondContact O-N 3.31Å; K286-L289 WeakPolarHBondContact O-CB 3.44Å; K286-L289 PolarHBondContact O-N 3.15Å; K286-V290 VanDerWaalsContact O-CG2 3.28Å; K286-V290 WeakPolarHBondContact O-CG2 3.35Å; K286-V290 PolarHBondContact O-N 3.04Å; K286-V290 VanDerWaalsContact O-N 3.1Å; K286-N310 HydrophobicContact CD-CB 4.45Å; K286-N310 HydrophobicContact CG-CB 4.36Å; K286-I325 WeakPolarHBondContact CE-O 3.47Å; K286-I325 PolarHBondContact NZ-O 3Å; K286-E330 VanDerWaalsContact NZ-CD 3.28Å; K286-E330 IonicContact NZ-OE1 3.32Å; K286-E330 PolarHBondContact NZ-OE1 3.39Å; K286-E330 IonicContact NZ-OE2 3.62Å; K286-E330 PolarHBondContact NZ-OE2 3.42Å
287R92.1Very high93.3Very high83 Ų8354.4 Ų54.431%0.31327%0.267SS..Hα-helixtrans-58.5-43.2173.9-169.6171.5-74.5175.4-2.7112.1R283 H284 L289 V290 I291 V308 N310R283-R287 PolarHBondContact O-N 3.39Å; H284-R287 WeakPolarHBondContact O-CB 3.29Å; H284-R287 PolarHBondContact O-N 3.04Å; R287-L289 VanDerWaalsContact C-N 3.32Å; R287-L289 PolarHBondContact O-N 3.43Å; R287-V290 WeakPolarHBondContact O-CB 3.34Å; R287-V290 PolarHBondContact O-N 3.47Å; R287-V290 VanDerWaalsContact O-N 3.15Å; R287-I291 HydrophobicContact CG-CD1 4.11Å; R287-I291 WeakPolarHBondContact O-CG1 3.38Å; R287-I291 PolarHBondContact O-N 2.95Å; R287-V308 PolarHBondContact NH2-O 3.14Å; R287-N310 VanDerWaalsContact CB-OD1 3.3Å; R287-N310 WeakPolarHBondContact CB-OD1 3Å; R287-N310 PolarHBondContact NE-OD1 3.33Å; R287-N310 PolarHBondContact NH2-OD1 3.05Å
288L93.6Very high93.5Very high103 Ų10350.3 Ų50.354%0.53925%0.248SC..Hα-helixtrans-61.1-40.3177.2-175.762.8000112.1H284 M285 K286 V290 I291 R292H284-L288 PolarHBondContact O-N 2.99Å; M285-L288 WeakPolarHBondContact O-CB 3.3Å; M285-L288 PolarHBondContact O-N 3.1Å; M285-L288 HydrophobicContact SD-CD2 4.27Å; K286-L288 VanDerWaalsContact C-N 3.33Å; K286-L288 PolarHBondContact O-N 3.31Å; L288-V290 VanDerWaalsContact C-N 3.33Å; L288-V290 PolarHBondContact O-N 3.46Å; L288-I291 PolarHBondContact O-N 3.21Å; L288-R292 WeakPolarHBondContact O-CB 3.42Å; L288-R292 PolarHBondContact O-N 2.78Å
289L93.6Very high93.6Very high10 Ų1051.5 Ų51.55%0.05226%0.26CS..Hα-helixtrans-61.2-42174.1178.265.6000111.9L205 P206 L269 W275 M285 K286 R287 R292 M293L205-L289 HydrophobicContact CD2-CD1 4.09Å; P206-L289 HydrophobicContact CG-CD1 3.81Å; L269-L289 HydrophobicContact CD1-CD2 3.43Å; L269-L289 VanDerWaalsContact CD1-CD2 3.43Å; W275-L289 HydrophobicContact CH2-CD2 4.08Å; W275-L289 HydrophobicContact CZ2-CD2 4.44Å; M285-L289 PolarHBondContact O-N 3.16Å; K286-L289 WeakPolarHBondContact O-CB 3.44Å; K286-L289 PolarHBondContact O-N 3.15Å; R287-L289 VanDerWaalsContact C-N 3.32Å; R287-L289 PolarHBondContact O-N 3.43Å; L289-R292 WeakPolarHBondContact O-CB 3.01Å; L289-R292 PolarHBondContact O-N 3.36Å; L289-M293 HydrophobicContact CD1-CE 4.43Å; L289-M293 HydrophobicContact CG-CE 4.31Å; L289-M293 PolarHBondContact O-N 3.36Å
290V95.1Very high93.7Very high0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-63.1-46.2177-178.90000110.9K286 R287 L288 R292 M293 H294 V306 N310 L312 I325K286-V290 VanDerWaalsContact O-CG2 3.28Å; K286-V290 WeakPolarHBondContact O-CG2 3.35Å; K286-V290 PolarHBondContact O-N 3.04Å; K286-V290 VanDerWaalsContact O-N 3.1Å; R287-V290 WeakPolarHBondContact O-CB 3.34Å; R287-V290 PolarHBondContact O-N 3.47Å; R287-V290 VanDerWaalsContact O-N 3.15Å; L288-V290 VanDerWaalsContact C-N 3.33Å; L288-V290 PolarHBondContact O-N 3.46Å; V290-R292 VanDerWaalsContact C-N 3.28Å; V290-R292 PolarHBondContact O-N 3.08Å; V290-M293 WeakPolarHBondContact O-CB 3.42Å; V290-M293 PolarHBondContact O-N 3.43Å; V290-H294 PolarHBondContact O-N 2.84Å; V290-V306 HydrophobicContact CB-CG1 4.39Å; V290-V306 HydrophobicContact CG1-CB 4.32Å; V290-V306 HydrophobicContact CG1-CG1 3.71Å; V290-V306 HydrophobicContact CG1-CG2 4.02Å; V290-N310 VanDerWaalsContact CG2-O 3.24Å; V290-N310 WeakPolarHBondContact CG2-O 3.35Å; V290-L312 HydrophobicContact CG1-CB 3.91Å; V290-L312 HydrophobicContact CG1-CD1 4.2Å; V290-I325 HydrophobicContact CB-CD1 4.5Å; V290-I325 HydrophobicContact CG2-CD1 3.43Å; V290-I325 VanDerWaalsContact CG2-CD1 3.43Å; V290-I325 HydrophobicContact CG2-CG1 4.36Å
291I96.2Very high93.8Very high61 Ų6152.5 Ų52.531%0.31327%0.266SS..Hα-helixtrans-58-43.8174.8-68166.8000110.1R287 L288 M293 H294 E295 V306R287-I291 HydrophobicContact CG-CD1 4.11Å; R287-I291 WeakPolarHBondContact O-CG1 3.38Å; R287-I291 PolarHBondContact O-N 2.95Å; L288-I291 PolarHBondContact O-N 3.21Å; I291-M293 VanDerWaalsContact C-N 3.33Å; I291-M293 PolarHBondContact O-N 3.46Å; I291-H294 WeakPolarHBondContact O-CB 3.17Å; I291-H294 PolarHBondContact O-N 2.96Å; I291-H294 VanDerWaalsContact O-N 3.13Å; I291-E295 HydrophobicContact CG2-CG 4.46Å; I291-E295 WeakPolarHBondContact O-CG 3.34Å; I291-E295 PolarHBondContact O-N 2.87Å; I291-V306 HydrophobicContact CG1-CG1 4.36Å; I291-V306 HydrophobicContact CG1-CG2 4.23Å
292R95.6Very high93.8Very high106 Ų10651.1 Ų51.140%0.425%0.253SS..Hα-helixtrans-61.1-41177.5-176.655.5177.6172.1-2.1112.4L205 L288 L289 V290 E295 L296L205-R292 HydrophobicContact CD2-CG 4.36Å; L288-R292 WeakPolarHBondContact O-CB 3.42Å; L288-R292 PolarHBondContact O-N 2.78Å; L289-R292 WeakPolarHBondContact O-CB 3.01Å; L289-R292 PolarHBondContact O-N 3.36Å; V290-R292 VanDerWaalsContact C-N 3.28Å; V290-R292 PolarHBondContact O-N 3.08Å; R292-E295 WeakPolarHBondContact CD-OE2 3.28Å; R292-E295 IonicContact CZ-OE2 3.93Å; R292-E295 IonicContact NH1-OE2 2.91Å; R292-E295 PolarHBondContact NH1-OE2 3.3Å; R292-E295 PolarHBondContact O-N 3.31Å; R292-L296 HydrophobicContact CG-CD1 4.38Å; R292-L296 VanDerWaalsContact O-CG 3.26Å; R292-L296 WeakPolarHBondContact O-CG 3.18Å; R292-L296 PolarHBondContact O-N 2.99Å
293M96.4Very high94Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-61.1-45173.9-71.2-179.5178.500111.5L201 L205 I209 I267 L289 V290 I291 E295 L296 L297 L312 I325L201-M293 HydrophobicContact CD1-CG 4.47Å; L205-M293 HydrophobicContact CD1-CE 3.66Å; L205-M293 HydrophobicContact CD1-CG 4.26Å; L205-M293 HydrophobicContact CD2-CE 4.29Å; L205-M293 HydrophobicContact CD2-CG 3.74Å; I209-M293 HydrophobicContact CD1-CE 4.06Å; I209-M293 HydrophobicContact CG1-CE 4.38Å; I267-M293 HydrophobicContact CD1-CE 3.84Å; I267-M293 HydrophobicContact CD1-SD 4.3Å; L289-M293 HydrophobicContact CD1-CE 4.43Å; L289-M293 HydrophobicContact CG-CE 4.31Å; L289-M293 PolarHBondContact O-N 3.36Å; V290-M293 WeakPolarHBondContact O-CB 3.42Å; V290-M293 PolarHBondContact O-N 3.43Å; I291-M293 VanDerWaalsContact C-N 3.33Å; I291-M293 PolarHBondContact O-N 3.46Å; M293-E295 PolarHBondContact O-N 3.26Å; M293-L296 PolarHBondContact O-N 3.21Å; M293-L296 VanDerWaalsContact O-N 3.13Å; M293-L297 VanDerWaalsContact O-CG 3.32Å; M293-L297 WeakPolarHBondContact O-CG 3.35Å; M293-L297 PolarHBondContact O-N 3.46Å; M293-L312 HydrophobicContact CB-CD2 3.77Å; M293-L312 HydrophobicContact SD-CD2 4.45Å; M293-I325 HydrophobicContact CE-CD1 4.43Å; M293-I325 HydrophobicContact SD-CD1 4.2Å
294H96.1Very high94.2Very high56 Ų5650 Ų5026%0.25925%0.25SC..Hα-helixtrans-57.6-45175.4170.367.1000112.6V290 I291 L296 L297 S298 S304 V306 L312V290-H294 PolarHBondContact O-N 2.84Å; I291-H294 WeakPolarHBondContact O-CB 3.17Å; I291-H294 PolarHBondContact O-N 2.96Å; I291-H294 VanDerWaalsContact O-N 3.13Å; H294-L296 VanDerWaalsContact C-N 3.28Å; H294-L296 PolarHBondContact O-N 3.08Å; H294-L297 PolarHBondContact O-N 2.82Å; H294-S298 PolarHBondContact O-N 2.78Å; H294-S298 PolarHBondContact O-OG 3.24Å; H294-S304 PolarHBondContact CE1-O 3.39Å; H294-S304 PolarHBondContact ND1-O 3.27Å; H294-S304 PolarHBondContact ND1-OG 3.1Å; H294-V306 HydrophobicContact CB-CG2 3.84Å; H294-L312 HydrophobicContact CB-CD1 3.97Å
295E96.7Very high94.2Very high93 Ų9348.8 Ų48.844%0.43524%0.244SC..Hα-helixtrans-61.4-34.1175.1-71.3176.5173.400112.9I291 R292 M293 P299I291-E295 HydrophobicContact CG2-CG 4.46Å; I291-E295 WeakPolarHBondContact O-CG 3.34Å; I291-E295 PolarHBondContact O-N 2.87Å; R292-E295 WeakPolarHBondContact CD-OE2 3.28Å; R292-E295 IonicContact CZ-OE2 3.93Å; R292-E295 IonicContact NH1-OE2 2.91Å; R292-E295 PolarHBondContact NH1-OE2 3.3Å; R292-E295 PolarHBondContact O-N 3.31Å; M293-E295 PolarHBondContact O-N 3.26Å; E295-P299 WeakPolarHBondContact O-CD 3.34Å
296L96.7Very high94.2Very high17 Ų1746.2 Ų46.29%0.08923%0.234CC..Hα-helixtrans-77.4-24.5178.7-69.1175.2000113.1L201 K204 L205 R292 M293 H294L201-L296 HydrophobicContact CD2-CB 4Å; K204-L296 HydrophobicContact CB-CD1 3.79Å; K204-L296 HydrophobicContact CB-CD2 3.95Å; K204-L296 HydrophobicContact CD-CD2 3.66Å; K204-L296 HydrophobicContact CG-CD2 4.46Å; L205-L296 HydrophobicContact CD2-CD1 3.82Å; L205-L296 HydrophobicContact CG-CD1 4.19Å; R292-L296 HydrophobicContact CG-CD1 4.38Å; R292-L296 VanDerWaalsContact O-CG 3.26Å; R292-L296 WeakPolarHBondContact O-CG 3.18Å; R292-L296 PolarHBondContact O-N 2.99Å; M293-L296 PolarHBondContact O-N 3.21Å; M293-L296 VanDerWaalsContact O-N 3.13Å; H294-L296 VanDerWaalsContact C-N 3.28Å; H294-L296 PolarHBondContact O-N 3.08Å
297L96Very high93.9Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-83.3-32.7177.2-67.7175.4000112.5L197 L201 M293 H294 K300 G301 I302 L312 I314L197-L297 HydrophobicContact CD2-CD2 3.47Å; L197-L297 VanDerWaalsContact CD2-CD2 3.47Å; L197-L297 HydrophobicContact CG-CD2 4.05Å; L201-L297 HydrophobicContact CD1-CD2 4.12Å; L201-L297 HydrophobicContact CD1-CG 4.36Å; L201-L297 HydrophobicContact CD2-CD2 4.3Å; M293-L297 VanDerWaalsContact O-CG 3.32Å; M293-L297 WeakPolarHBondContact O-CG 3.35Å; M293-L297 PolarHBondContact O-N 3.46Å; H294-L297 PolarHBondContact O-N 2.82Å; L297-K300 WeakPolarHBondContact O-CA 3.4Å; L297-K300 WeakPolarHBondContact O-CB 3.47Å; L297-K300 PolarHBondContact O-N 2.91Å; L297-G301 PolarHBondContact O-N 2.72Å; L297-I302 HydrophobicContact CB-CB 4.28Å; L297-I302 HydrophobicContact CB-CG2 4.45Å; L297-I302 HydrophobicContact CD2-CD1 4.02Å; L297-I302 HydrophobicContact CD2-CG2 4.41Å; L297-I302 PolarHBondContact O-N 3.26Å; L297-L312 HydrophobicContact CD1-CD2 4.03Å; L297-I314 HydrophobicContact CD1-CD1 3.7Å; L297-I314 HydrophobicContact CD1-CG1 4Å
298S93.7Very high93.3Very high40 Ų4045.7 Ų45.728%0.2824%0.241SC..G310 helixtrans-58.2-46.3-176.1-64.70000113.7H294 K300 G301 A657H294-S298 PolarHBondContact O-N 2.78Å; H294-S298 PolarHBondContact O-OG 3.24Å; S298-K300 PolarHBondContact O-N 3.43Å; S298-G301 PolarHBondContact O-N 3.18Å; S298-A657 WeakPolarHBondContact O-CB 3.38Å
299P93Very high92.6Very high114 Ų11443.4 Ų43.474%0.7423%0.229SC*.G310 helixtrans-65.2-24.1175.7-22.933.2000114.1E295 G301E295-P299 WeakPolarHBondContact O-CD 3.34Å; P299-G301 PolarHBondContact O-N 3.14Å
300K91.8Very high92.4Very high97 Ų9743.4 Ų43.442%0.42223%0.229SC..G310 helixtrans-78.30.4174.7-63.6-175.7178.4-175.20112.2L297 S298 I302L297-K300 WeakPolarHBondContact O-CA 3.4Å; L297-K300 WeakPolarHBondContact O-CB 3.47Å; L297-K300 PolarHBondContact O-N 2.91Å; S298-K300 PolarHBondContact O-N 3.43Å; K300-I302 HydrophobicContact CB-CD1 3.73Å; K300-I302 HydrophobicContact CB-CG1 4.24Å; K300-I302 HydrophobicContact CD-CD1 4.13Å; K300-I302 PolarHBondContact O-N 2.97Å
301G90.4Very high92.3Very high19 Ų1944.5 Ų44.520%0.19624%0.235CC..THydrogen-bonded Turntrans73.111-17800000114L297 S298 P299 P303 G656 A657L297-G301 PolarHBondContact O-N 2.72Å; S298-G301 PolarHBondContact O-N 3.18Å; P299-G301 PolarHBondContact O-N 3.14Å; G301-P303 WeakPolarHBondContact O-CD 3.18Å; G301-G656 CarbonylContact O-C 3.42Å; G301-G656 WeakPolarHBondContact O-CA 3.15Å; G301-G656 PolarHBondContact O-N 2.94Å; G301-A657 PolarHBondContact O-N 3.17Å
302I93.7Very high92.3Very high10 Ų1041.6 Ų41.65%0.05122%0.22CC..  trans-87.4119-178.3-66.5155000108.7L197 L297 K300 S304 I314L197-I302 HydrophobicContact CD1-CD1 3.35Å; L197-I302 HydrophobicContact CD1-CG1 4.16Å; L197-I302 HydrophobicContact CD1-CG2 4.27Å; L197-I302 HydrophobicContact CG-CD1 3.92Å; L297-I302 HydrophobicContact CB-CB 4.28Å; L297-I302 HydrophobicContact CB-CG2 4.45Å; L297-I302 HydrophobicContact CD2-CD1 4.02Å; L297-I302 HydrophobicContact CD2-CG2 4.41Å; L297-I302 PolarHBondContact O-N 3.26Å; K300-I302 HydrophobicContact CB-CD1 3.73Å; K300-I302 HydrophobicContact CB-CG1 4.24Å; K300-I302 HydrophobicContact CD-CD1 4.13Å; K300-I302 PolarHBondContact O-N 2.97Å; I302-S304 PolarHBondContact O-N 2.93Å; I302-I314 HydrophobicContact CG2-CG2 3.76Å
303P95.3Very high92.3Very high0 Ų036.5 Ų36.50%020%0.201CC..  trans-70.2132.5177.6-3.716.4000111.3G301 F315 P655 G656 Y659 W660G301-P303 WeakPolarHBondContact O-CD 3.18Å; P303-F315 HydrophobicContact CB-CB 4.09Å; P303-F315 HydrophobicContact CG-CB 4.06Å; P303-F315 HydrophobicContact CG-CD1 4.08Å; P303-F315 PolarHBondContact O-N 3.37Å; P303-P655 HydrophobicContact CG-CG 3.66Å; P303-G656 WeakPolarHBondContact CG-O 3.44Å; P303-Y659 WeakPolarHBondContact CB-O 3.25Å; P303-Y659 HydrophobicContact CG-CD1 4.23Å; P303-W660 HydrophobicContact CB-CE3 4.33Å; P303-W660 HydrophobicContact CB-CZ3 4.49Å
304S95.8Very high92.3Very high10 Ų1036.5 Ų36.57%0.0720%0.201CC..EExtended strand (participates in β ladder)trans-149.9157177.253.40000111.3H294 I302 D313H294-S304 PolarHBondContact CE1-O 3.39Å; H294-S304 PolarHBondContact ND1-O 3.27Å; H294-S304 PolarHBondContact ND1-OG 3.1Å; I302-S304 PolarHBondContact O-N 2.93Å; S304-D313 CarbonylContact C-O 3.46Å; S304-D313 WeakPolarHBondContact CA-O 3.49Å; S304-D313 VanDerWaalsContact CB-O 3.25Å; S304-D313 WeakPolarHBondContact CB-O 3.39Å
305H91.9Very high92.3Very high99 Ų9934.1 Ų34.146%0.45819%0.19SC..EExtended strand (participates in β ladder)trans-142.8136.9-178.2178.768000110.7D313 W660H305-D313 HydrophobicContact CB-CB 4.46Å; H305-D313 PolarHBondContact N-O 3.3Å; H305-D313 PolarHBondContact O-N 3.42Å; H305-W660 HydrophobicContact CB-CH2 3.9Å; H305-W660 HydrophobicContact CB-CZ2 4.22Å; H305-W660 HydrophobicContact CB-CZ3 4.18Å
306V91.8Very high92.1Very high34 Ų3429.9 Ų29.921%0.20617%0.17CC..EExtended strand (participates in β ladder)trans-89.9124.4177.2-178.60000109.2V290 I291 H294 L312V290-V306 HydrophobicContact CB-CG1 4.39Å; V290-V306 HydrophobicContact CG1-CB 4.32Å; V290-V306 HydrophobicContact CG1-CG1 3.71Å; V290-V306 HydrophobicContact CG1-CG2 4.02Å; I291-V306 HydrophobicContact CG1-CG1 4.36Å; I291-V306 HydrophobicContact CG1-CG2 4.23Å; H294-V306 HydrophobicContact CB-CG2 3.84Å; V306-L312 HydrophobicContact CG2-CD1 4.26Å
307T86.6Confident91.8Very high15 Ų1529.6 Ų29.69%0.09217%0.168CC..  trans-85.9165.6179.565.50000112.3D309 N310 M311 D313T307-D309 VanDerWaalsContact C-N 3.27Å; T307-D309 PolarHBondContact O-N 3.47Å; T307-N310 PolarHBondContact O-N 2.91Å; T307-M311 HydrophobicContact CG2-CB 4.45Å; T307-M311 PolarHBondContact N-O 3.41Å; T307-M311 VanDerWaalsContact OG1-CA 3.3Å; T307-M311 WeakPolarHBondContact OG1-CA 3.49Å; T307-M311 VanDerWaalsContact OG1-CB 3.25Å; T307-M311 WeakPolarHBondContact OG1-CB 3.38Å; T307-M311 PolarHBondContact OG1-N 3.5Å; T307-M311 PolarHBondContact OG1-O 2.91Å; T307-D313 WeakPolarHBondContact CG2-OD2 3.37Å
308V78.5Confident91.5Very high75 Ų7529.7 Ų29.746%0.45517%0.169SC..THydrogen-bonded Turntrans-62.5-34.2177.2-176.80000111.7R287 N310 C439R287-V308 PolarHBondContact NH2-O 3.14Å; V308-N310 PolarHBondContact O-N 2.83Å; V308-C439 HydrophobicContact CG1-CB 4.19Å
309D79.5Confident91.5Very high55 Ų5528 Ų2829%0.29416%0.157SC..THydrogen-bonded Turntrans-89.527.3-175.5-55.7-40.9000113.7T307 M311 L443T307-D309 VanDerWaalsContact C-N 3.27Å; T307-D309 PolarHBondContact O-N 3.47Å; D309-M311 HydrophobicContact CB-CE 4.23Å; D309-M311 PolarHBondContact O-N 3.02Å; D309-L443 WeakPolarHBondContact OD1-CD1 3.22Å; D309-L443 VanDerWaalsContact OD2-CD1 3.28Å; D309-L443 WeakPolarHBondContact OD2-CD1 3.44Å
310N89.7Confident91.6Very high11 Ų1122.6 Ų22.66%0.05912%0.122CC..SBendtrans57.832.7179.6-55.2-28000113.5R283 K286 R287 V290 T307 V308R283-N310 PolarHBondContact O-ND2 2.97Å; K286-N310 HydrophobicContact CD-CB 4.45Å; K286-N310 HydrophobicContact CG-CB 4.36Å; R287-N310 VanDerWaalsContact CB-OD1 3.3Å; R287-N310 WeakPolarHBondContact CB-OD1 3Å; R287-N310 PolarHBondContact NE-OD1 3.33Å; R287-N310 PolarHBondContact NH2-OD1 3.05Å; V290-N310 VanDerWaalsContact CG2-O 3.24Å; V290-N310 WeakPolarHBondContact CG2-O 3.35Å; T307-N310 PolarHBondContact O-N 2.91Å; V308-N310 PolarHBondContact O-N 2.83Å
311M92.7Very high91.9Very high22 Ų2218 Ų1811%0.10810%0.102CC..  trans-106.3159.1171.1-49-175.6-170.600110.7Y264 T307 D309 R322 I323 V324Y264-M311 HydrophobicContact CE1-SD 4.13Å; T307-M311 HydrophobicContact CG2-CB 4.45Å; T307-M311 PolarHBondContact N-O 3.41Å; T307-M311 VanDerWaalsContact OG1-CA 3.3Å; T307-M311 WeakPolarHBondContact OG1-CA 3.49Å; T307-M311 VanDerWaalsContact OG1-CB 3.25Å; T307-M311 WeakPolarHBondContact OG1-CB 3.38Å; T307-M311 PolarHBondContact OG1-N 3.5Å; T307-M311 PolarHBondContact OG1-O 2.91Å; D309-M311 HydrophobicContact CB-CE 4.23Å; D309-M311 PolarHBondContact O-N 3.02Å; M311-R322 HydrophobicContact CB-CG 3.96Å; M311-R322 VanDerWaalsContact SD-CD 3.59Å; M311-R322 HydrophobicContact SD-CG 3.86Å; M311-I323 WeakPolarHBondContact CA-O 3.42Å; M311-I323 WeakPolarHBondContact CB-O 3.46Å; M311-V324 HydrophobicContact CE-CG2 4.42Å; M311-V324 HydrophobicContact SD-CG2 3.91Å
312L95.7Very high92.2Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-113.8120.6178.5-175.664.2000110.7V290 M293 H294 L297 V306 I314 I323V290-L312 HydrophobicContact CG1-CB 3.91Å; V290-L312 HydrophobicContact CG1-CD1 4.2Å; M293-L312 HydrophobicContact CB-CD2 3.77Å; M293-L312 HydrophobicContact SD-CD2 4.45Å; H294-L312 HydrophobicContact CB-CD1 3.97Å; L297-L312 HydrophobicContact CD1-CD2 4.03Å; V306-L312 HydrophobicContact CG2-CD1 4.26Å; L312-I314 HydrophobicContact CD2-CD1 3.88Å; L312-I314 HydrophobicContact CD2-CG1 4.01Å; L312-I314 HydrophobicContact CG-CD1 4.32Å; L312-I314 HydrophobicContact CG-CG1 3.92Å; L312-I323 HydrophobicContact CB-CB 4.1Å; L312-I323 HydrophobicContact CB-CG1 4.39Å; L312-I323 PolarHBondContact N-O 3.27Å; L312-I323 VanDerWaalsContact N-O 3.13Å; L312-I323 WeakPolarHBondContact O-CB 3.23Å; L312-I323 WeakPolarHBondContact O-CG1 3.39Å; L312-I323 PolarHBondContact O-N 2.97Å
313D96.4Very high92.4Very high0 Ų017.3 Ų17.30%09%0.092CC..EExtended strand (participates in β ladder)trans-89.4133169.9-63.8-36.6000110S304 H305 T307 V320 F321 R322 W660 Y664S304-D313 CarbonylContact C-O 3.46Å; S304-D313 WeakPolarHBondContact CA-O 3.49Å; S304-D313 VanDerWaalsContact CB-O 3.25Å; S304-D313 WeakPolarHBondContact CB-O 3.39Å; H305-D313 HydrophobicContact CB-CB 4.46Å; H305-D313 PolarHBondContact N-O 3.3Å; H305-D313 PolarHBondContact O-N 3.42Å; T307-D313 WeakPolarHBondContact CG2-OD2 3.37Å; D313-V320 HydrophobicContact CB-CG1 4.23Å; D313-F321 CarbonylContact C-O 3.3Å; D313-F321 VanDerWaalsContact CA-O 3.28Å; D313-F321 WeakPolarHBondContact CA-O 3.41Å; D313-R322 WeakPolarHBondContact OD1-CA 3.33Å; D313-R322 WeakPolarHBondContact OD1-CB 3.08Å; D313-R322 VanDerWaalsContact OD1-CG 3.28Å; D313-R322 WeakPolarHBondContact OD1-CG 3.42Å; D313-R322 IonicContact OD1-CZ 3.99Å; D313-R322 IonicContact OD1-NE 3.78Å; D313-R322 PolarHBondContact OD1-NE 3.12Å; D313-R322 IonicContact OD1-NH2 3.28Å; D313-R322 IonicContact OD2-CZ 3.88Å; D313-R322 IonicContact OD2-NE 3.81Å; D313-R322 IonicContact OD2-NH2 3.01Å; D313-R322 PolarHBondContact OD2-NH2 2.93Å; D313-W660 HydrophobicContact CB-CH2 3.58Å; D313-W660 HydrophobicContact CB-CZ2 3.94Å; D313-Y664 VanDerWaalsContact CG-OH 3.31Å; D313-Y664 PolarHBondContact OD2-OH 2.68Å
314I97.1Very high92.4Very high0 Ų017.6 Ų17.60%09%0.094CC..EExtended strand (participates in β ladder)trans-128.3125.8-179.4-58.3178.6000108.7L194 L197 L198 L297 I302 L312 L316 V320 F321 I323L194-I314 HydrophobicContact CD1-CD1 4.1Å; L197-I314 HydrophobicContact CD2-CD1 4.48Å; L198-I314 HydrophobicContact CD2-CD1 4.03Å; L297-I314 HydrophobicContact CD1-CD1 3.7Å; L297-I314 HydrophobicContact CD1-CG1 4Å; I302-I314 HydrophobicContact CG2-CG2 3.76Å; L312-I314 HydrophobicContact CD2-CD1 3.88Å; L312-I314 HydrophobicContact CD2-CG1 4.01Å; L312-I314 HydrophobicContact CG-CD1 4.32Å; L312-I314 HydrophobicContact CG-CG1 3.92Å; I314-L316 HydrophobicContact CG2-CB 4.33Å; I314-V320 CarbonylContact O-C 3.55Å; I314-V320 WeakPolarHBondContact O-CA 3.28Å; I314-F321 PolarHBondContact N-O 2.97Å; I314-F321 PolarHBondContact O-N 3.4Å; I314-I323 HydrophobicContact CD1-CD1 4.35Å; I314-I323 HydrophobicContact CD1-CG1 3.8Å; I314-I323 HydrophobicContact CG1-CG1 4.23Å
315F94.8Very high92.4Very high6 Ų617.2 Ų17.23%0.0269%0.091CC..EExtended strand (participates in β ladder)trans-89.8117.7170.4-177.9-95000110.2P303 L319 V320 P655 Y659 W660 P661P303-F315 HydrophobicContact CB-CB 4.09Å; P303-F315 HydrophobicContact CG-CB 4.06Å; P303-F315 HydrophobicContact CG-CD1 4.08Å; P303-F315 PolarHBondContact O-N 3.37Å; F315-L319 CarbonylContact C-O 3.55Å; F315-L319 WeakPolarHBondContact CA-O 3.34Å; F315-L319 WeakPolarHBondContact CD2-O 3.41Å; F315-V320 HydrophobicContact CD2-CG2 3.85Å; F315-P655 HydrophobicContact CD1-CG 3.97Å; F315-P655 HydrophobicContact CE1-CG 3.97Å; F315-Y659 AromaticContact CD1-CD1 3.85Å; F315-Y659 HydrophobicContact CD1-CD1 3.85Å; F315-Y659 AromaticContact CD1-CE1 3.8Å; F315-Y659 HydrophobicContact CD1-CE1 3.8Å; F315-Y659 HydrophobicContact CD2-CE1 4.26Å; F315-Y659 AromaticContact CE1-CD1 3.89Å; F315-Y659 HydrophobicContact CE1-CD1 3.89Å; F315-Y659 AromaticContact CE1-CE1 3.47Å; F315-Y659 HydrophobicContact CE1-CE1 3.47Å; F315-Y659 VanDerWaalsContact CE1-CE1 3.47Å; F315-Y659 AromaticContact CE2-CE1 3.98Å; F315-Y659 HydrophobicContact CE2-CE1 3.98Å; F315-Y659 HydrophobicContact CG-CD1 4.34Å; F315-Y659 HydrophobicContact CG-CE1 4.17Å; F315-Y659 HydrophobicContact CZ-CD1 4.41Å; F315-Y659 AromaticContact CZ-CE1 3.55Å; F315-Y659 HydrophobicContact CZ-CE1 3.55Å; F315-W660 HydrophobicContact CB-CZ3 4.27Å; F315-P661 HydrophobicContact CD2-CG 4.06Å; F315-P661 HydrophobicContact CE2-CG 4.24Å
316L93.6Very high92.4Very high3 Ų312.6 Ų12.62%0.0167%0.071CC..EExtended strand (participates in β ladder)trans-148.9136.7-177.2-172.970.9000111K193 L194 L197 I314 G318 L319 F321K193-L316 HydrophobicContact CB-CD2 4.23Å; K193-L316 HydrophobicContact CD-CD1 4.32Å; K193-L316 HydrophobicContact CG-CD1 4.48Å; K193-L316 HydrophobicContact CG-CD2 4.16Å; L194-L316 HydrophobicContact CB-CD2 3.89Å; L194-L316 HydrophobicContact CD1-CD2 4.25Å; L197-L316 HydrophobicContact CD1-CD1 3.99Å; L197-L316 HydrophobicContact CD1-CD2 4.07Å; I314-L316 HydrophobicContact CG2-CB 4.33Å; L316-G318 PolarHBondContact O-N 2.91Å; L316-G318 VanDerWaalsContact O-N 3.12Å; L316-L319 PolarHBondContact N-O 3.05Å; L316-L319 PolarHBondContact O-N 3.32Å; L316-L319 VanDerWaalsContact O-O 3.12Å; L316-F321 HydrophobicContact CB-CD2 4.13Å; L316-F321 HydrophobicContact CB-CE2 3.95Å
317Q90.3Very high92.4Very high11 Ų1111.5 Ų11.55%0.0516%0.063CC..THydrogen-bonded Turntrans53.232.1178.2-65.7-53.4-55.300114.8A190 K193 L319 F652A190-Q317 HydrophobicContact CB-CB 3.8Å; A190-Q317 HydrophobicContact CB-CG 4.21Å; K193-Q317 HydrophobicContact CD-CG 3.91Å; Q317-L319 VanDerWaalsContact C-N 3.3Å; Q317-F652 PolarHBondContact NE2-O 2.85Å; Q317-F652 VanDerWaalsContact OE1-N 3.14Å
318G88.9Confident92.4Very high2 Ų214 Ų142%0.0218%0.081CC..THydrogen-bonded Turntrans80.88.2-179.700000114.6S230 L316S230-G318 PolarHBondContact N-O 3.32Å; S230-G318 WeakPolarHBondContact O-CA 3.33Å; L316-G318 PolarHBondContact O-N 2.91Å; L316-G318 VanDerWaalsContact O-N 3.12Å
319L93.6Very high93Very high5 Ų512.2 Ų12.23%0.0267%0.067CC..EExtended strand (participates in β ladder)trans-122.1155.7-179.4-63.4166.1000109.7A182 L187 A190 P227 L229 L263 F315 L316 Q317 F321A182-L319 HydrophobicContact CB-CD2 4.43Å; L187-L319 HydrophobicContact CD2-CD1 3.63Å; A190-L319 HydrophobicContact CB-CD1 4.04Å; P227-L319 HydrophobicContact CB-CD2 3.97Å; P227-L319 HydrophobicContact CG-CD2 4.09Å; L229-L319 HydrophobicContact CD2-CD1 4.35Å; L229-L319 HydrophobicContact CD2-CD2 3.83Å; L229-L319 HydrophobicContact CD2-CG 3.85Å; L263-L319 HydrophobicContact CD1-CD1 4.3Å; L263-L319 HydrophobicContact CD1-CD2 4.35Å; F315-L319 CarbonylContact C-O 3.55Å; F315-L319 WeakPolarHBondContact CA-O 3.34Å; F315-L319 WeakPolarHBondContact CD2-O 3.41Å; L316-L319 PolarHBondContact N-O 3.05Å; L316-L319 PolarHBondContact O-N 3.32Å; L316-L319 VanDerWaalsContact O-O 3.12Å; Q317-L319 VanDerWaalsContact C-N 3.3Å; L319-F321 HydrophobicContact CB-CE2 3.9Å; L319-F321 HydrophobicContact CB-CZ 4.14Å; L319-F321 HydrophobicContact CD1-CZ 4.2Å
320V95.6Very high93.5Very high1 Ų110.4 Ų10.41%0.0066%0.057CC..EExtended strand (participates in β ladder)trans-103.8130.8168.7-176.30000108.2V260 P262 L263 D313 I314 F315 W660 P661 Y664V260-V320 HydrophobicContact CG1-CG2 3.84Å; P262-V320 CarbonylContact C-O 3.52Å; P262-V320 WeakPolarHBondContact CA-O 3.32Å; P262-V320 HydrophobicContact CB-CG1 4.16Å; L263-V320 PolarHBondContact N-O 3.27Å; D313-V320 HydrophobicContact CB-CG1 4.23Å; I314-V320 CarbonylContact O-C 3.55Å; I314-V320 WeakPolarHBondContact O-CA 3.28Å; F315-V320 HydrophobicContact CD2-CG2 3.85Å; V320-W660 HydrophobicContact CG1-CH2 4.24Å; V320-W660 HydrophobicContact CG1-CZ2 4.25Å; V320-P661 HydrophobicContact CG2-CG 3.84Å; V320-Y664 HydrophobicContact CB-CD2 4.48Å; V320-Y664 HydrophobicContact CB-CE2 4.22Å; V320-Y664 HydrophobicContact CG1-CD2 4.29Å; V320-Y664 HydrophobicContact CG1-CE2 3.67Å; V320-Y664 HydrophobicContact CG2-CD2 4.02Å; V320-Y664 HydrophobicContact CG2-CE2 4.23Å
321F98.1Very high93.6Very high0 Ų010.7 Ų10.70%06%0.058CC..EExtended strand (participates in β ladder)trans-111.3131.6174.3-61.5-91000109A190 L194 F219 L263 V265 D313 I314 L316 L319 I323A190-F321 HydrophobicContact CB-CZ 3.86Å; L194-F321 HydrophobicContact CD2-CB 3.94Å; L194-F321 HydrophobicContact CD2-CD1 3.58Å; L194-F321 HydrophobicContact CD2-CD2 4.28Å; L194-F321 HydrophobicContact CD2-CE1 4.08Å; L194-F321 HydrophobicContact CD2-CG 3.68Å; F219-F321 HydrophobicContact CE1-CE1 4.21Å; F219-F321 HydrophobicContact CZ-CD1 4.12Å; F219-F321 AromaticContact CZ-CE1 3.76Å; F219-F321 HydrophobicContact CZ-CE1 3.76Å; L263-F321 HydrophobicContact CB-CD1 4.21Å; L263-F321 HydrophobicContact CD1-CE1 4.45Å; L263-F321 CarbonylContact O-C 3.49Å; L263-F321 VanDerWaalsContact O-CA 3.27Å; L263-F321 WeakPolarHBondContact O-CA 3.45Å; V265-F321 HydrophobicContact CG2-CD1 4Å; D313-F321 CarbonylContact C-O 3.3Å; D313-F321 VanDerWaalsContact CA-O 3.28Å; D313-F321 WeakPolarHBondContact CA-O 3.41Å; I314-F321 PolarHBondContact N-O 2.97Å; I314-F321 PolarHBondContact O-N 3.4Å; L316-F321 HydrophobicContact CB-CD2 4.13Å; L316-F321 HydrophobicContact CB-CE2 3.95Å; L319-F321 HydrophobicContact CB-CE2 3.9Å; L319-F321 HydrophobicContact CB-CZ 4.14Å; L319-F321 HydrophobicContact CD1-CZ 4.2Å; F321-I323 HydrophobicContact CB-CD1 4.15Å
322R97.1Very high93.5Very high14 Ų1413.6 Ų13.65%0.0537%0.074CC..EExtended strand (participates in β ladder)trans-101.1117.5170.2177.9163.4-72.4166.83.4109.9P262 L263 Y264 V265 M311 D313 D424 Y664P262-R322 HydrophobicContact CB-CB 3.61Å; P262-R322 HydrophobicContact CG-CB 4.3Å; L263-R322 PolarHBondContact O-N 2.94Å; Y264-R322 WeakPolarHBondContact CA-O 3.34Å; Y264-R322 HydrophobicContact CD1-CG 4.35Å; Y264-R322 HydrophobicContact CD2-CB 4.43Å; Y264-R322 HydrophobicContact CE1-CG 4.18Å; Y264-R322 HydrophobicContact CG-CB 4.45Å; Y264-R322 PolarHBondContact OH-NH1 2.86Å; V265-R322 PolarHBondContact N-O 3.3Å; M311-R322 HydrophobicContact CB-CG 3.96Å; M311-R322 VanDerWaalsContact SD-CD 3.59Å; M311-R322 HydrophobicContact SD-CG 3.86Å; D313-R322 WeakPolarHBondContact OD1-CA 3.33Å; D313-R322 WeakPolarHBondContact OD1-CB 3.08Å; D313-R322 VanDerWaalsContact OD1-CG 3.28Å; D313-R322 WeakPolarHBondContact OD1-CG 3.42Å; D313-R322 IonicContact OD1-CZ 3.99Å; D313-R322 IonicContact OD1-NE 3.78Å; D313-R322 PolarHBondContact OD1-NE 3.12Å; D313-R322 IonicContact OD1-NH2 3.28Å; D313-R322 IonicContact OD2-CZ 3.88Å; D313-R322 IonicContact OD2-NE 3.81Å; D313-R322 IonicContact OD2-NH2 3.01Å; D313-R322 PolarHBondContact OD2-NH2 2.93Å; R322-D424 IonicContact CZ-OD1 3.62Å; R322-D424 IonicContact NH1-OD1 3.75Å; R322-D424 PolarHBondContact NH1-OD1 3.33Å; R322-D424 IonicContact NH2-OD1 3Å; R322-Y664 PolarHBondContact NH2-OH 3.43Å
323I98.1Very high93.2Very high0 Ų013.9 Ų13.90%08%0.076CC..EExtended strand (participates in β ladder)trans-92.8111.8-176.7-48.1-52.5000109.5L194 L198 V265 I267 M311 L312 I314 F321L194-I323 HydrophobicContact CD1-CD1 4.3Å; L194-I323 HydrophobicContact CD2-CD1 3.97Å; L198-I323 HydrophobicContact CD1-CD1 4.19Å; V265-I323 HydrophobicContact CB-CD1 3.94Å; V265-I323 HydrophobicContact CG1-CD1 4.2Å; V265-I323 CarbonylContact O-C 3.15Å; V265-I323 VanDerWaalsContact O-CA 3.28Å; V265-I323 WeakPolarHBondContact O-CA 3.45Å; I267-I323 HydrophobicContact CB-CG2 4.34Å; I267-I323 HydrophobicContact CD1-CG2 3.86Å; I267-I323 HydrophobicContact CG1-CG2 3.84Å; I267-I323 HydrophobicContact CG2-CG2 3.65Å; M311-I323 WeakPolarHBondContact CA-O 3.42Å; M311-I323 WeakPolarHBondContact CB-O 3.46Å; L312-I323 HydrophobicContact CB-CB 4.1Å; L312-I323 HydrophobicContact CB-CG1 4.39Å; L312-I323 PolarHBondContact N-O 3.27Å; L312-I323 VanDerWaalsContact N-O 3.13Å; L312-I323 WeakPolarHBondContact O-CB 3.23Å; L312-I323 WeakPolarHBondContact O-CG1 3.39Å; L312-I323 PolarHBondContact O-N 2.97Å; I314-I323 HydrophobicContact CD1-CD1 4.35Å; I314-I323 HydrophobicContact CD1-CG1 3.8Å; I314-I323 HydrophobicContact CG1-CG1 4.23Å; F321-I323 HydrophobicContact CB-CD1 4.15Å
324V95.5Very high92.8Very high6 Ų614 Ų144%0.0368%0.077CC..EExtended strand (participates in β ladder)trans-87.5124.9172.2-177.60000108.4Y264 V265 I266 I267 M311 L374Y264-V324 HydrophobicContact CD1-CG2 3.75Å; Y264-V324 HydrophobicContact CE1-CG2 4.32Å; V265-V324 PolarHBondContact O-N 3.27Å; I266-V324 CarbonylContact C-O 2.99Å; I266-V324 WeakPolarHBondContact CA-O 3.16Å; I266-V324 HydrophobicContact CB-CB 4.4Å; I266-V324 HydrophobicContact CG1-CB 4.31Å; I266-V324 HydrophobicContact CG1-CG1 4.37Å; I267-V324 PolarHBondContact N-O 3.43Å; M311-V324 HydrophobicContact CE-CG2 4.42Å; M311-V324 HydrophobicContact SD-CG2 3.91Å; V324-L374 HydrophobicContact CG1-CD2 4.1Å
325I94.3Very high92.4Very high2 Ų217.1 Ų17.11%0.019%0.091CC..EExtended strand (participates in β ladder)trans-96.1113.1178.9-52.1-166000109.5I267 L269 K286 V290 M293I267-I325 HydrophobicContact CD1-CD1 4.24Å; I267-I325 HydrophobicContact CD1-CG1 3.92Å; I267-I325 HydrophobicContact CD1-CG2 4.44Å; I267-I325 HydrophobicContact CG1-CB 4.31Å; I267-I325 HydrophobicContact CG1-CG1 4.04Å; I267-I325 HydrophobicContact CG1-CG2 4.35Å; L269-I325 HydrophobicContact CD1-CG2 3.56Å; L269-I325 HydrophobicContact CG-CG2 3.97Å; K286-I325 WeakPolarHBondContact CE-O 3.47Å; K286-I325 PolarHBondContact NZ-O 3Å; V290-I325 HydrophobicContact CB-CD1 4.5Å; V290-I325 HydrophobicContact CG2-CD1 3.43Å; V290-I325 VanDerWaalsContact CG2-CD1 3.43Å; V290-I325 HydrophobicContact CG2-CG1 4.36Å; M293-I325 HydrophobicContact CE-CD1 4.43Å; M293-I325 HydrophobicContact SD-CD1 4.2Å
326S92.7Very high92Very high3 Ų323 Ų232%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-97.8129.8175.8179.40000111.1I267 L269 N375I267-S326 WeakPolarHBondContact O-CB 3.28Å; I267-S326 PolarHBondContact O-N 3.3Å; L269-S326 PolarHBondContact N-O 2.93Å; S326-N375 VanDerWaalsContact CB-OD1 3.3Å; S326-N375 WeakPolarHBondContact CB-OD1 3.34Å; S326-N375 PolarHBondContact OG-OD1 3.22Å
327Q91.2Very high91.4Very high11 Ų1126.7 Ų26.75%0.05114%0.136CC..  trans-143.4124.6174.8-164.8-72.8-20.600109.5W275 F282 K329 E330 W371W275-Q327 HydrophobicContact CZ2-CG 4.02Å; F282-Q327 HydrophobicContact CZ-CB 4.17Å; F282-Q327 HydrophobicContact CZ-CG 4.31Å; F282-Q327 VanDerWaalsContact CZ-OE1 3.27Å; Q327-K329 VanDerWaalsContact C-N 3.32Å; Q327-K329 PolarHBondContact O-N 3.43Å; Q327-K329 VanDerWaalsContact OE1-CA 3.26Å; Q327-E330 VanDerWaalsContact O-CB 3.28Å; Q327-E330 WeakPolarHBondContact O-CB 3.47Å; Q327-E330 PolarHBondContact O-N 3.32Å; Q327-W371 WeakPolarHBondContact O-CZ2 3.11Å
328S87.9Confident90.5Very high66 Ų6627.2 Ų27.246%0.46214%0.141SC..THydrogen-bonded Turntrans-67-22.2-166.2-43.80000115.8E330S328-E330 VanDerWaalsContact C-N 3.28Å; S328-E330 PolarHBondContact O-N 3.14Å
329K90.2Very high89.8Confident38 Ų3831.6 Ų31.617%0.16516%0.163CC..Hα-helixtrans-69.7-27.8177.8-169.1-177.1179.6172.40111.6W275 P276 N277 F282 Q327 L331 N332 L333W275-K329 HydrophobicContact CB-CD 3.68Å; W275-K329 PolarHBondContact O-NZ 3.03Å; P276-K329 VanDerWaalsContact O-CE 3.32Å; P276-K329 WeakPolarHBondContact O-CE 3.44Å; P276-K329 PolarHBondContact O-NZ 3.13Å; P276-K329 VanDerWaalsContact O-NZ 3.14Å; N277-K329 WeakPolarHBondContact OD1-CE 3.39Å; N277-K329 PolarHBondContact OD1-NZ 3.3Å; F282-K329 HydrophobicContact CE2-CB 4.31Å; Q327-K329 VanDerWaalsContact C-N 3.32Å; Q327-K329 PolarHBondContact O-N 3.43Å; Q327-K329 VanDerWaalsContact OE1-CA 3.26Å; K329-L331 VanDerWaalsContact C-N 3.3Å; K329-L331 PolarHBondContact O-N 3.23Å; K329-N332 WeakPolarHBondContact O-CB 3.15Å; K329-N332 PolarHBondContact O-N 3.4Å; K329-N332 VanDerWaalsContact O-N 3.15Å; K329-L333 PolarHBondContact O-N 3.35Å
330E90.5Very high88.5Confident17 Ų1734.7 Ų34.78%0.07919%0.186CC..Hα-helixtrans-55-44.6179.5-167.5168.3-148.800111.9F282 K286 Q327 S328 N332 L333 I334 W371F282-E330 HydrophobicContact CD1-CB 4.43Å; F282-E330 HydrophobicContact CD1-CG 4.18Å; F282-E330 HydrophobicContact CE1-CB 3.59Å; F282-E330 HydrophobicContact CE1-CG 3.61Å; F282-E330 HydrophobicContact CZ-CB 3.73Å; F282-E330 HydrophobicContact CZ-CG 4.28Å; K286-E330 VanDerWaalsContact NZ-CD 3.28Å; K286-E330 IonicContact NZ-OE1 3.32Å; K286-E330 PolarHBondContact NZ-OE1 3.39Å; K286-E330 IonicContact NZ-OE2 3.62Å; K286-E330 PolarHBondContact NZ-OE2 3.42Å; Q327-E330 VanDerWaalsContact O-CB 3.28Å; Q327-E330 WeakPolarHBondContact O-CB 3.47Å; Q327-E330 PolarHBondContact O-N 3.32Å; S328-E330 VanDerWaalsContact C-N 3.28Å; S328-E330 PolarHBondContact O-N 3.14Å; E330-N332 VanDerWaalsContact C-N 3.33Å; E330-N332 PolarHBondContact O-N 2.89Å; E330-L333 PolarHBondContact O-N 3.13Å; E330-L333 VanDerWaalsContact O-N 3.1Å; E330-I334 HydrophobicContact CG-CD1 4.03Å; E330-I334 WeakPolarHBondContact O-CG1 3.25Å; E330-I334 PolarHBondContact O-N 2.76Å; E330-W371 HydrophobicContact CB-CZ2 4.49Å; E330-W371 PolarHBondContact OE2-NE1 2.95Å
331L90.5Very high86.8Confident18 Ų1839.3 Ų39.39%0.09421%0.211CC..Hα-helixtrans-57-45.1177.5-179.659000112.5K329 L333 I334 Q335 A368 W371 I372K329-L331 VanDerWaalsContact C-N 3.3Å; K329-L331 PolarHBondContact O-N 3.23Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-L333 PolarHBondContact O-N 3.1Å; L331-I334 PolarHBondContact O-N 2.84Å; L331-Q335 HydrophobicContact CD1-CG 4.38Å; L331-Q335 WeakPolarHBondContact O-CG 3.46Å; L331-Q335 PolarHBondContact O-N 3.38Å; L331-A368 HydrophobicContact CD1-CB 3.95Å; L331-W371 HydrophobicContact CB-CD2 4.07Å; L331-W371 HydrophobicContact CB-CE3 3.72Å; L331-W371 HydrophobicContact CB-CH2 4.1Å; L331-W371 HydrophobicContact CB-CZ2 4.4Å; L331-W371 HydrophobicContact CB-CZ3 3.73Å; L331-W371 HydrophobicContact CD1-CD2 4.39Å; L331-W371 HydrophobicContact CD1-CE3 3.87Å; L331-W371 HydrophobicContact CD1-CZ3 4.5Å; L331-W371 HydrophobicContact CD2-CE3 3.96Å; L331-W371 HydrophobicContact CD2-CZ3 3.77Å; L331-W371 HydrophobicContact CG-CE3 4.05Å; L331-W371 HydrophobicContact CG-CZ3 4.2Å; L331-I372 HydrophobicContact CD1-CD1 4.12Å; L331-I372 HydrophobicContact CD1-CG1 3.88Å; L331-I372 HydrophobicContact CD2-CD1 4.35Å; L331-I372 HydrophobicContact CD2-CG1 3.96Å
332N90.5Very high84.9Confident82 Ų8243.7 Ų43.744%0.43923%0.233SC..Hα-helixtrans-64.9-33.2180-64.2-26.1000111.7K329 E330 K336K329-N332 WeakPolarHBondContact O-CB 3.15Å; K329-N332 PolarHBondContact O-N 3.4Å; K329-N332 VanDerWaalsContact O-N 3.15Å; E330-N332 VanDerWaalsContact C-N 3.33Å; E330-N332 PolarHBondContact O-N 2.89Å; N332-K336 WeakPolarHBondContact O-CB 3.45Å; N332-K336 WeakPolarHBondContact O-CG 3.33Å; N332-K336 PolarHBondContact O-N 3.07Å; N332-K336 VanDerWaalsContact O-N 3.1Å
333L90.6Very high82.9Confident7 Ų750.5 Ų50.54%0.03726%0.263CS..Hα-helixtrans-72.3-42.6177-63.2-178.1000111.4N277 L279 F282 K329 E330 L331 Q335 K336 L337N277-L333 WeakPolarHBondContact O-CD2 3.38Å; L279-L333 HydrophobicContact CB-CB 4.4Å; L279-L333 HydrophobicContact CD1-CB 3.85Å; F282-L333 HydrophobicContact CB-CD1 3.66Å; F282-L333 HydrophobicContact CD2-CD1 3.71Å; F282-L333 HydrophobicContact CG-CD1 3.73Å; K329-L333 PolarHBondContact O-N 3.35Å; E330-L333 PolarHBondContact O-N 3.13Å; E330-L333 VanDerWaalsContact O-N 3.1Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-L333 PolarHBondContact O-N 3.1Å; L333-Q335 VanDerWaalsContact C-N 3.31Å; L333-Q335 PolarHBondContact O-N 3.04Å; L333-K336 PolarHBondContact O-N 3.05Å; L333-L337 PolarHBondContact O-N 2.75Å
334I88.3Confident80.8Confident3 Ų353.1 Ų53.12%0.01528%0.284CS..Hα-helixtrans-59.9-43176-64.8164.4000110.7L279 E330 L331 S338 E367 A368 W371L279-I334 HydrophobicContact CD1-CG1 4.06Å; L279-I334 HydrophobicContact CD2-CG1 4.36Å; E330-I334 HydrophobicContact CG-CD1 4.03Å; E330-I334 WeakPolarHBondContact O-CG1 3.25Å; E330-I334 PolarHBondContact O-N 2.76Å; L331-I334 PolarHBondContact O-N 2.84Å; I334-S338 PolarHBondContact O-N 3.47Å; I334-E367 HydrophobicContact CD1-CG 4.32Å; I334-E367 HydrophobicContact CG2-CB 3.91Å; I334-E367 HydrophobicContact CG2-CG 3.92Å; I334-A368 HydrophobicContact CG2-CB 3.97Å; I334-W371 HydrophobicContact CD1-CB 4.23Å; I334-W371 HydrophobicContact CD1-CG 4.16Å
335Q88.2Confident78.6Confident64 Ų6458.1 Ų58.130%0.29931%0.311SS..Hα-helixtrans-68.1-37.6177.5-71.1175.7-15.400112.8L331 L333 S338 N339 A368L331-Q335 HydrophobicContact CD1-CG 4.38Å; L331-Q335 WeakPolarHBondContact O-CG 3.46Å; L331-Q335 PolarHBondContact O-N 3.38Å; L333-Q335 VanDerWaalsContact C-N 3.31Å; L333-Q335 PolarHBondContact O-N 3.04Å; Q335-S338 PolarHBondContact O-N 3.31Å; Q335-N339 PolarHBondContact O-N 3.3Å; Q335-N339 VanDerWaalsContact O-N 3.11Å; Q335-A368 HydrophobicContact CG-CB 4.16Å
336K86.8Confident76.4Confident130 Ų13063.1 Ų63.157%0.56534%0.338SS*.Hα-helixtrans-66.7-39.6177.1-78.8174.3-177.5-173.60113N332 L333 S338 N339 S340N332-K336 WeakPolarHBondContact O-CB 3.45Å; N332-K336 WeakPolarHBondContact O-CG 3.33Å; N332-K336 PolarHBondContact O-N 3.07Å; N332-K336 VanDerWaalsContact O-N 3.1Å; L333-K336 PolarHBondContact O-N 3.05Å; K336-S338 VanDerWaalsContact C-N 3.34Å; K336-N339 PolarHBondContact O-N 2.91Å; K336-S340 PolarHBondContact O-N 2.61Å; K336-S340 PolarHBondContact O-OG 2.89Å
337L81.2Confident74.2Confident81 Ų8170.9 Ų70.942%0.42437%0.371SS..Hα-helixtrans-60.8-47.6176.4-171.366.8000110L279 L333 N339 S340 D341L279-L337 HydrophobicContact CD2-CD2 3.62Å; L333-L337 PolarHBondContact O-N 2.75Å; L337-N339 PolarHBondContact O-N 3.02Å; L337-S340 WeakPolarHBondContact O-CA 3.27Å; L337-S340 WeakPolarHBondContact O-CB 3.27Å; L337-S340 PolarHBondContact O-N 3.44Å; L337-D341 PolarHBondContact O-N 2.83Å; L337-D341 VanDerWaalsContact O-N 3.11Å
338S71.7Confident71.9Confident21 Ų2177 Ų7715%0.14740%0.404CS..Hα-helixtrans-59.7-44.2177.6176.10000113.8I334 Q335 K336 S340 D341 I342I334-S338 PolarHBondContact O-N 3.47Å; Q335-S338 PolarHBondContact O-N 3.31Å; K336-S338 VanDerWaalsContact C-N 3.34Å; S338-S340 PolarHBondContact O-N 3.07Å; S338-D341 PolarHBondContact O-N 3.03Å; S338-I342 WeakPolarHBondContact O-CG1 3.28Å; S338-I342 PolarHBondContact O-N 3.38Å; S338-I342 VanDerWaalsContact O-N 3.12Å
339N73.9Confident69.6Low94 Ų9481.8 Ų81.850%0.50342%0.417SS..Hα-helixtrans-64.8-23.6176.6-74.5-22.2000113.1Q335 K336 L337 K343Q335-N339 PolarHBondContact O-N 3.3Å; Q335-N339 VanDerWaalsContact O-N 3.11Å; K336-N339 PolarHBondContact O-N 2.91Å; L337-N339 PolarHBondContact O-N 3.02Å; N339-K343 WeakPolarHBondContact O-CG 3.47Å; N339-K343 PolarHBondContact O-N 3.07Å
340S65Low66.9Low71 Ų7185.6 Ų85.650%0.49744%0.443SS..Hα-helixtrans-77.9-39.6176.7-550000110.8K336 L337 S338 K343 A344K336-S340 PolarHBondContact O-N 2.61Å; K336-S340 PolarHBondContact O-OG 2.89Å; L337-S340 WeakPolarHBondContact O-CA 3.27Å; L337-S340 WeakPolarHBondContact O-CB 3.27Å; L337-S340 PolarHBondContact O-N 3.44Å; S338-S340 PolarHBondContact O-N 3.07Å; S340-K343 PolarHBondContact O-N 3.27Å; S340-A344 PolarHBondContact O-N 2.87Å; S340-A344 VanDerWaalsContact O-N 3.1Å
341D59.6Low64.4Low98 Ų9892.1 Ų92.152%0.52448%0.477SS..Hα-helixtrans-63.1-44.6175.7-63-30.2000111.7L337 S338 K343 A344 D345L337-D341 PolarHBondContact O-N 2.83Å; L337-D341 VanDerWaalsContact O-N 3.11Å; S338-D341 PolarHBondContact O-N 3.03Å; D341-K343 VanDerWaalsContact C-N 3.31Å; D341-K343 PolarHBondContact O-N 2.9Å; D341-A344 PolarHBondContact O-N 3.08Å; D341-A344 VanDerWaalsContact O-N 3.16Å; D341-D345 PolarHBondContact O-N 3.3Å
342I58.4Low61.9Low91 Ų9196.6 Ų96.647%0.46751%0.51SS..Hα-helixtrans-61.7-38.8177.9-64.3167.6000111.6S338 D345 N346S338-I342 WeakPolarHBondContact O-CG1 3.28Å; S338-I342 PolarHBondContact O-N 3.38Å; S338-I342 VanDerWaalsContact O-N 3.12Å; I342-D345 PolarHBondContact O-N 3.12Å; I342-N346 WeakPolarHBondContact O-CB 3.34Å; I342-N346 PolarHBondContact O-N 3.41Å
343K56.9Low59Low157 Ų157102 Ų10268%0.68353%0.533SS*.Hα-helixtrans-69.8-32.8177.5-75.2177.7-178.8-1790112.7N339 S340 D341 K347N339-K343 WeakPolarHBondContact O-CG 3.47Å; N339-K343 PolarHBondContact O-N 3.07Å; S340-K343 PolarHBondContact O-N 3.27Å; D341-K343 VanDerWaalsContact C-N 3.31Å; D341-K343 PolarHBondContact O-N 2.9Å; K343-K347 PolarHBondContact O-N 3.43Å
344A53Low56.2Low55 Ų55107.5 Ų107.546%0.45557%0.566SS.*Hα-helixtrans-68.6-43.4174.800000111.1S340 D341 K347 N348S340-A344 PolarHBondContact O-N 2.87Å; S340-A344 VanDerWaalsContact O-N 3.1Å; D341-A344 PolarHBondContact O-N 3.08Å; D341-A344 VanDerWaalsContact O-N 3.16Å; A344-K347 PolarHBondContact O-N 2.87Å; A344-N348 PolarHBondContact O-N 3.03Å
345D48.6Very low53.3Low111 Ų111115.3 Ų115.359%0.59461%0.608SS**Hα-helixtrans-67.1-40.2177.4-94-5.9000112.8D341 I342 K347 N348 K349D341-D345 PolarHBondContact O-N 3.3Å; I342-D345 PolarHBondContact O-N 3.12Å; D345-K347 VanDerWaalsContact C-N 3.32Å; D345-K347 PolarHBondContact O-N 3.46Å; D345-N348 PolarHBondContact O-N 2.95Å; D345-N348 VanDerWaalsContact O-N 3.07Å; D345-K349 PolarHBondContact O-N 3.27Å; D345-K349 VanDerWaalsContact O-N 3.17Å
346N48.5Very low50.5Low108 Ų108118.9 Ų118.958%0.57863%0.629SS**Hα-helixtrans-68-28.8177.4-92.8-2.2000113.3I342 N348 K349I342-N346 WeakPolarHBondContact O-CB 3.34Å; I342-N346 PolarHBondContact O-N 3.41Å; N346-N348 PolarHBondContact O-N 3.33Å; N346-K349 PolarHBondContact O-N 3.39Å
347K45.8Very low47.6Very low166 Ų166116.7 Ų116.772%0.72264%0.644SS**Hα-helixtrans-63.1-34.1170.3-98.3-176.8174.8-178.80112K343 A344 D345 T350K343-K347 PolarHBondContact O-N 3.43Å; A344-K347 PolarHBondContact O-N 2.87Å; D345-K347 VanDerWaalsContact C-N 3.32Å; D345-K347 PolarHBondContact O-N 3.46Å; K347-T350 PolarHBondContact O-OG1 2.76Å; K347-T350 VanDerWaalsContact O-OG1 3.05Å
348N43.8Very low45.1Very low138 Ų138117.8 Ų117.874%0.73866%0.658SS**Hα-helixtrans-82.9-11.6179.6-67.9-15.5000113.9A344 D345 N346A344-N348 PolarHBondContact O-N 3.03Å; D345-N348 PolarHBondContact O-N 2.95Å; D345-N348 VanDerWaalsContact O-N 3.07Å; N346-N348 PolarHBondContact O-N 3.33Å
349K38.8Very low43.2Very low168 Ų168122.2 Ų122.273%0.7369%0.689SS**THydrogen-bonded Turntrans-106.927.3178.8-86.5-176.4176.1174.70114.3D345 N346 I351D345-K349 PolarHBondContact O-N 3.27Å; D345-K349 VanDerWaalsContact O-N 3.17Å; N346-K349 PolarHBondContact O-N 3.39Å; K349-I351 PolarHBondContact O-N 3.19Å
350T34.3Very low40.9Very low118 Ų118125.2 Ų125.272%0.72470%0.704SS**  trans-76.158.4172.338.90000112.7K347K347-T350 PolarHBondContact O-OG1 2.76Å; K347-T350 VanDerWaalsContact O-OG1 3.05Å
351I37.4Very low39.7Very low153 Ų153126.3 Ų126.379%0.78571%0.712SS**SBendtrans-149.2122.5152.1-52.4179.3000106.7K349K349-I351 PolarHBondContact O-N 3.19Å
352S37.7Very low38.9Very low113 Ų113127 Ų12779%0.7972%0.72SS**  trans104.483.1173.4-38.10000114.8
353E31.3Very low38.8Very low196 Ų196131 Ų13192%0.91674%0.737SS**  trans-72.3115.4163.6-66.4168.8162.100109.5
354T31.4Very low39.1Very low121 Ų121128.3 Ų128.374%0.74273%0.729SS**  trans-135.5112.5152.747.90000107.8D356T354-D356 VanDerWaalsContact C-N 3.35Å; T354-D356 PolarHBondContact O-N 2.9Å; T354-D356 VanDerWaalsContact O-N 3.11Å
355D27.6Very low40.3Very low167 Ų167127.4 Ų127.489%0.89372%0.717SS**  trans-8371.5-171-156.617.4000109.8
356D29.6Very low41.5Very low139 Ų139124.9 Ų124.974%0.74371%0.707SS**  trans-92.5103.1173.5-75.4-17.9000109.3T354 S358T354-D356 VanDerWaalsContact C-N 3.35Å; T354-D356 PolarHBondContact O-N 2.9Å; T354-D356 VanDerWaalsContact O-N 3.11Å; D356-S358 PolarHBondContact O-N 2.7Å
357G26Very low43.2Very low84 Ų84122.1 Ų122.187%0.86669%0.69SS**  trans-67.952.4178.100000114.9S359G357-S359 PolarHBondContact O-N 3.06Å
358S28.7Very low45.2Very low104 Ų104114.2 Ų114.273%0.72766%0.656SS**  trans-75.3121.2168.268.70000109.3D356 L360D356-S358 PolarHBondContact O-N 2.7Å; S358-L360 PolarHBondContact O-N 3.18Å; S358-L360 VanDerWaalsContact O-N 3.08Å
359S30.7Very low47.1Very low114 Ų114109.7 Ų109.780%0.79764%0.638SS**  trans-37.7113.6179.5-53.20000112.1G357 S361G357-S359 PolarHBondContact O-N 3.06Å; S359-S361 PolarHBondContact O-N 2.95Å
360L26.3Very low49.4Very low157 Ų157103 Ų10382%0.82261%0.612SS**  trans-6379.4177.6-162.386.6000109.3S358 T362S358-L360 PolarHBondContact O-N 3.18Å; S358-L360 VanDerWaalsContact O-N 3.08Å; L360-T362 VanDerWaalsContact C-N 3.31Å; L360-T362 PolarHBondContact O-N 2.87Å
361S38.5Very low52Low94 Ų9498.2 Ų98.266%0.65758%0.581SS**  trans-63.3103159.150.10000105.2S359 E363S359-S361 PolarHBondContact O-N 2.95Å; S361-E363 PolarHBondContact O-N 2.77Å
362T43.1Very low54.7Low113 Ų11392.8 Ų92.869%0.69355%0.552SS**  trans-5792176-42.10000107.5L360 L364L360-T362 VanDerWaalsContact C-N 3.31Å; L360-T362 PolarHBondContact O-N 2.87Å; T362-L364 PolarHBondContact O-N 3.23Å
363E56.3Low57.3Low175 Ų17588.7 Ų88.782%0.81852%0.52SS*.  trans-60.7102.8176.7-73.6-175.2172.800106.4S361 N365S361-E363 PolarHBondContact O-N 2.77Å; E363-N365 PolarHBondContact O-N 3.39Å
364L64.8Low60.2Low101 Ų10180 Ų8053%0.52948%0.48SS..  trans-59.7136.3178.8-80.2158000108.2T362T362-L364 PolarHBondContact O-N 3.23Å
365N76.4Confident63.2Low36 Ų3674.6 Ų74.619%0.19345%0.446CS..  trans-49.7129.6171.9174.1-4.3000109.2E363 E367 A368 A369E363-N365 PolarHBondContact O-N 3.39Å; N365-E367 PolarHBondContact O-N 3.28Å; N365-E367 VanDerWaalsContact O-N 3.16Å; N365-E367 PolarHBondContact OD1-N 2.86Å; N365-A368 HydrophobicContact CB-CB 4.12Å; N365-A368 WeakPolarHBondContact O-CA 3.28Å; N365-A368 WeakPolarHBondContact O-CB 3.41Å; N365-A368 PolarHBondContact O-N 3.11Å; N365-A369 PolarHBondContact O-N 3.38Å
366P75.2Confident66.3Low58 Ų5871.1 Ų71.138%0.37743%0.425SS..Hα-helixtrans-54.2-34.3178.221.6-36.2000113.9A369 C370 L448P366-A369 PolarHBondContact O-N 3.24Å; P366-C370 VanDerWaalsContact O-CB 3.28Å; P366-C370 WeakPolarHBondContact O-CB 3.37Å; P366-C370 PolarHBondContact O-N 3.38Å; P366-L448 HydrophobicContact CB-CD1 3.38Å; P366-L448 HydrophobicContact CB-CD2 3.31Å; P366-L448 HydrophobicContact CB-CG 3.95Å; P366-L448 HydrophobicContact CG-CD1 4.41Å; P366-L448 HydrophobicContact CG-CD2 3.37Å; P366-L448 HydrophobicContact CG-CG 4.5Å
367E82.7Confident69.4Low49 Ų4965.9 Ų65.923%0.22940%0.399CS..Hα-helixtrans-65.5-40.7174.6-171.2-179.7174.100111.3R283 I334 N365 C370 W371R283-E367 IonicContact CZ-OE1 3.55Å; R283-E367 IonicContact NH2-OE1 3.06Å; R283-E367 PolarHBondContact NH2-OE1 3.41Å; R283-E367 IonicContact NH2-OE2 2.77Å; I334-E367 HydrophobicContact CD1-CG 4.32Å; I334-E367 HydrophobicContact CG2-CB 3.91Å; I334-E367 HydrophobicContact CG2-CG 3.92Å; N365-E367 PolarHBondContact O-N 3.28Å; N365-E367 VanDerWaalsContact O-N 3.16Å; N365-E367 PolarHBondContact OD1-N 2.86Å; E367-C370 WeakPolarHBondContact O-CB 3.38Å; E367-C370 PolarHBondContact O-N 3.43Å; E367-W371 WeakPolarHBondContact O-CB 3.42Å; E367-W371 PolarHBondContact O-N 2.94Å
368A87.7Confident72.8Confident0 Ų062 Ų620%036%0.358CS..Hα-helixtrans-66.7-42.7176.400000111.4L331 I334 Q335 N365 C370 W371 I372L331-A368 HydrophobicContact CD1-CB 3.95Å; I334-A368 HydrophobicContact CG2-CB 3.97Å; Q335-A368 HydrophobicContact CG-CB 4.16Å; N365-A368 HydrophobicContact CB-CB 4.12Å; N365-A368 WeakPolarHBondContact O-CA 3.28Å; N365-A368 WeakPolarHBondContact O-CB 3.41Å; N365-A368 PolarHBondContact O-N 3.11Å; A368-C370 VanDerWaalsContact C-N 3.35Å; A368-C370 PolarHBondContact O-N 3.09Å; A368-W371 PolarHBondContact O-N 2.89Å; A368-I372 VanDerWaalsContact O-CG1 3.28Å; A368-I372 WeakPolarHBondContact O-CG1 3.41Å; A368-I372 PolarHBondContact O-N 3.42Å
369A84.9Confident76.1Confident44 Ų4457.6 Ų57.636%0.36433%0.327SS..Hα-helixtrans-60.5-44.4175.200000111.5N365 P366 W371 I372 R373N365-A369 PolarHBondContact O-N 3.38Å; P366-A369 PolarHBondContact O-N 3.24Å; A369-W371 VanDerWaalsContact C-N 3.35Å; A369-W371 PolarHBondContact O-N 2.91Å; A369-I372 PolarHBondContact O-N 3.21Å; A369-R373 WeakPolarHBondContact O-CB 3.5Å; A369-R373 PolarHBondContact O-N 3.44Å
370C86.1Confident79.1Confident27 Ų2755.8 Ų55.818%0.18231%0.311CS..Hα-helixtrans-59-45.3174.4-173.70000111.8P366 E367 A368 R373 L374P366-C370 VanDerWaalsContact O-CB 3.28Å; P366-C370 WeakPolarHBondContact O-CB 3.37Å; P366-C370 PolarHBondContact O-N 3.38Å; E367-C370 WeakPolarHBondContact O-CB 3.38Å; E367-C370 PolarHBondContact O-N 3.43Å; A368-C370 VanDerWaalsContact C-N 3.35Å; A368-C370 PolarHBondContact O-N 3.09Å; C370-R373 PolarHBondContact O-N 2.56Å; C370-R373 PolarHBondContact SG-NH2 3.01Å; C370-L374 PolarHBondContact O-N 3.43Å
371W90.8Very high82.5Confident18 Ų1848.5 Ų48.57%0.06827%0.273CS..Hα-helixtrans-62.6-46.1177.6-171.1101000111.7Q327 E330 L331 I334 E367 A368 A369 L374 N375 Q376Q327-W371 WeakPolarHBondContact O-CZ2 3.11Å; E330-W371 HydrophobicContact CB-CZ2 4.49Å; E330-W371 PolarHBondContact OE2-NE1 2.95Å; L331-W371 HydrophobicContact CB-CD2 4.07Å; L331-W371 HydrophobicContact CB-CE3 3.72Å; L331-W371 HydrophobicContact CB-CH2 4.1Å; L331-W371 HydrophobicContact CB-CZ2 4.4Å; L331-W371 HydrophobicContact CB-CZ3 3.73Å; L331-W371 HydrophobicContact CD1-CD2 4.39Å; L331-W371 HydrophobicContact CD1-CE3 3.87Å; L331-W371 HydrophobicContact CD1-CZ3 4.5Å; L331-W371 HydrophobicContact CD2-CE3 3.96Å; L331-W371 HydrophobicContact CD2-CZ3 3.77Å; L331-W371 HydrophobicContact CG-CE3 4.05Å; L331-W371 HydrophobicContact CG-CZ3 4.2Å; I334-W371 HydrophobicContact CD1-CB 4.23Å; I334-W371 HydrophobicContact CD1-CG 4.16Å; E367-W371 WeakPolarHBondContact O-CB 3.42Å; E367-W371 PolarHBondContact O-N 2.94Å; A368-W371 PolarHBondContact O-N 2.89Å; A369-W371 VanDerWaalsContact C-N 3.35Å; A369-W371 PolarHBondContact O-N 2.91Å; W371-L374 PolarHBondContact O-N 3.14Å; W371-N375 HydrophobicContact CD2-CB 4.17Å; W371-N375 HydrophobicContact CE3-CB 4.17Å; W371-N375 HydrophobicContact CH2-CB 3.98Å; W371-N375 HydrophobicContact CZ2-CB 3.98Å; W371-N375 HydrophobicContact CZ3-CB 4.08Å; W371-N375 PolarHBondContact NE1-ND2 3.39Å; W371-N375 VanDerWaalsContact O-CB 3.28Å; W371-N375 WeakPolarHBondContact O-CB 3.45Å; W371-N375 PolarHBondContact O-N 3.35Å; W371-N375 PolarHBondContact O-ND2 3.47Å; W371-Q376 HydrophobicContact CZ3-CG 3.98Å
372I92.4Very high85.3Confident38 Ų3844.2 Ų44.220%0.19524%0.243CC..Hα-helixtrans-59.4-50.3178.7-71.3164.8000110L331 A368 A369 L374 N375 Q376 S377L331-I372 HydrophobicContact CD1-CD1 4.12Å; L331-I372 HydrophobicContact CD1-CG1 3.88Å; L331-I372 HydrophobicContact CD2-CD1 4.35Å; L331-I372 HydrophobicContact CD2-CG1 3.96Å; A368-I372 VanDerWaalsContact O-CG1 3.28Å; A368-I372 WeakPolarHBondContact O-CG1 3.41Å; A368-I372 PolarHBondContact O-N 3.42Å; A369-I372 PolarHBondContact O-N 3.21Å; I372-L374 PolarHBondContact O-N 3.07Å; I372-N375 PolarHBondContact O-N 3.1Å; I372-Q376 WeakPolarHBondContact O-CA 3.43Å; I372-Q376 WeakPolarHBondContact O-CB 3.48Å; I372-Q376 PolarHBondContact O-N 3.04Å; I372-S377 PolarHBondContact O-N 3.4Å
373R92.8Very high87.8Confident27 Ų2741 Ų4110%0.10223%0.233CC..Iπ-helixtrans-54.6-53.2178.4-179.5-160.766.7-135.7-0.7111.9A369 C370 L378 E420 E560 W561A369-R373 WeakPolarHBondContact O-CB 3.5Å; A369-R373 PolarHBondContact O-N 3.44Å; C370-R373 PolarHBondContact O-N 2.56Å; C370-R373 PolarHBondContact SG-NH2 3.01Å; R373-L378 WeakPolarHBondContact O-CB 3.25Å; R373-L378 PolarHBondContact O-N 3.31Å; R373-E420 IonicContact NH2-OE1 3.71Å; R373-E420 PolarHBondContact NH2-OE1 3.47Å; R373-E560 WeakPolarHBondContact CA-OE1 3.36Å; R373-E560 WeakPolarHBondContact CB-OE1 3.49Å; R373-E560 HydrophobicContact CG-CG 4.06Å; R373-W561 HydrophobicContact CG-CH2 3.65Å; R373-W561 HydrophobicContact CG-CZ2 4.43Å; R373-W561 HydrophobicContact CG-CZ3 3.89Å
374L92.7Very high89.7Confident14 Ų1433.7 Ų33.77%0.07320%0.2CC..Iπ-helixtrans-68.6-41.2-175.5179.561.8000112.4L215 V324 C370 W371 I372 L378 P418 E420L215-L374 HydrophobicContact CD1-CD1 3.9Å; V324-L374 HydrophobicContact CG1-CD2 4.1Å; C370-L374 PolarHBondContact O-N 3.43Å; W371-L374 PolarHBondContact O-N 3.14Å; I372-L374 PolarHBondContact O-N 3.07Å; L374-L378 HydrophobicContact CD1-CD2 4.29Å; L374-P418 HydrophobicContact CD1-CB 3.85Å; L374-P418 HydrophobicContact CD1-CG 4.42Å; L374-E420 HydrophobicContact CD2-CG 4.42Å
375N93.7Very high91.2Very high8 Ų828.9 Ų28.94%0.04318%0.175CC..Iπ-helixtrans-96.8-21-168.5-63.2-79000114.4I266 S326 W371 I372I266-N375 HydrophobicContact CD1-CB 4.21Å; S326-N375 VanDerWaalsContact CB-OD1 3.3Å; S326-N375 WeakPolarHBondContact CB-OD1 3.34Å; S326-N375 PolarHBondContact OG-OD1 3.22Å; W371-N375 HydrophobicContact CD2-CB 4.17Å; W371-N375 HydrophobicContact CE3-CB 4.17Å; W371-N375 HydrophobicContact CH2-CB 3.98Å; W371-N375 HydrophobicContact CZ2-CB 3.98Å; W371-N375 HydrophobicContact CZ3-CB 4.08Å; W371-N375 PolarHBondContact NE1-ND2 3.39Å; W371-N375 VanDerWaalsContact O-CB 3.28Å; W371-N375 WeakPolarHBondContact O-CB 3.45Å; W371-N375 PolarHBondContact O-N 3.35Å; W371-N375 PolarHBondContact O-ND2 3.47Å; I372-N375 PolarHBondContact O-N 3.1Å
376Q93Very high92.1Very high94 Ų9428 Ų2844%0.43917%0.171SC..Iπ-helixtrans-121.3-55.6-175.2-61.2-178.3-21.200112.4W371 I372 T380W371-Q376 HydrophobicContact CZ3-CG 3.98Å; I372-Q376 WeakPolarHBondContact O-CA 3.43Å; I372-Q376 WeakPolarHBondContact O-CB 3.48Å; I372-Q376 PolarHBondContact O-N 3.04Å; Q376-T380 PolarHBondContact O-OG1 3.4Å; Q376-T380 VanDerWaalsContact O-OG1 3.07Å
377S94.8Very high93Very high28 Ų2826.8 Ų26.820%0.19617%0.17CC..Iπ-helixtrans-72.3-50.4-174.3-41.90000112I372 T380 L381 E560I372-S377 PolarHBondContact O-N 3.4Å; S377-T380 PolarHBondContact O-N 3.28Å; S377-L381 PolarHBondContact O-N 3.21Å; S377-E560 VanDerWaalsContact CB-CD 3.49Å; S377-E560 WeakPolarHBondContact CB-OE1 3.38Å; S377-E560 VanDerWaalsContact CB-OE2 3.31Å; S377-E560 WeakPolarHBondContact CB-OE2 3.26Å; S377-E560 PolarHBondContact OG-OE1 2.95Å; S377-E560 PolarHBondContact OG-OE2 3.02Å
378L97.1Very high93.5Very high3 Ų325.4 Ų25.42%0.01617%0.165CC..Hα-helixtrans-60.9-46-175-176.759.4000113.8L215 R373 L374 T380 L381 A382 P418 V463 W561L215-L378 HydrophobicContact CB-CD2 4.26Å; L215-L378 HydrophobicContact CD1-CD2 4.26Å; L215-L378 HydrophobicContact CD2-CD2 4.25Å; L215-L378 HydrophobicContact CD2-CG 4.15Å; L215-L378 HydrophobicContact CG-CD2 4.5Å; R373-L378 WeakPolarHBondContact O-CB 3.25Å; R373-L378 PolarHBondContact O-N 3.31Å; L374-L378 HydrophobicContact CD1-CD2 4.29Å; L378-T380 VanDerWaalsContact C-N 3.28Å; L378-T380 PolarHBondContact O-N 3.47Å; L378-L381 PolarHBondContact O-N 3.13Å; L378-A382 WeakPolarHBondContact O-CB 3.4Å; L378-A382 PolarHBondContact O-N 2.62Å; L378-P418 HydrophobicContact CD2-CB 3.58Å; L378-V463 HydrophobicContact CD1-CG2 4.29Å; L378-W561 HydrophobicContact CB-CH2 3.85Å; L378-W561 HydrophobicContact CD1-CH2 3.74Å; L378-W561 HydrophobicContact CD1-CZ3 4.06Å; L378-W561 HydrophobicContact CG-CH2 4.33Å
379P97Very high93.8Very high11 Ų1125.5 Ų25.57%0.07117%0.166CC..Hα-helixtrans-60.4-38.6-179.5-21.832.7000112.6L213 L215 I266 G383L213-P379 HydrophobicContact CD1-CB 3.81Å; L215-P379 HydrophobicContact CD2-CB 4.19Å; L215-P379 HydrophobicContact CD2-CG 3.96Å; I266-P379 HydrophobicContact CD1-CG 4.1Å; I266-P379 HydrophobicContact CG2-CB 4.37Å; I266-P379 HydrophobicContact CG2-CG 4.1Å; P379-G383 PolarHBondContact O-N 2.75Å
380T95.7Very high94.1Very high76 Ų7631.4 Ų31.447%0.46618%0.178SC..Hα-helixtrans-67.2-46.5179-520000111.1Q376 S377 L378 G383 T384 L554Q376-T380 PolarHBondContact O-OG1 3.4Å; Q376-T380 VanDerWaalsContact O-OG1 3.07Å; S377-T380 PolarHBondContact O-N 3.28Å; L378-T380 VanDerWaalsContact C-N 3.28Å; L378-T380 PolarHBondContact O-N 3.47Å; T380-G383 PolarHBondContact O-N 2.87Å; T380-T384 PolarHBondContact O-N 2.98Å; T380-T384 VanDerWaalsContact O-N 3.15Å; T380-T384 PolarHBondContact O-OG1 2.82Å; T380-T384 VanDerWaalsContact O-OG1 3.07Å; T380-L554 HydrophobicContact CG2-CD1 4Å; T380-L554 HydrophobicContact CG2-CD2 3.88Å
381L96.7Very high94.2Very high4 Ų434.8 Ų34.82%0.02120%0.198CC..Hα-helixtrans-66.9-43.7177.6-179.359.3000112.2S377 L378 G383 T384 L385 V463 L467 L519 L554 W561S377-L381 PolarHBondContact O-N 3.21Å; L378-L381 PolarHBondContact O-N 3.13Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.29Å; L381-T384 PolarHBondContact O-N 3.18Å; L381-T384 VanDerWaalsContact O-N 3.15Å; L381-L385 HydrophobicContact CD1-CD1 4.11Å; L381-L385 HydrophobicContact CD1-CG 4.12Å; L381-L385 HydrophobicContact CG-CD1 4Å; L381-L385 HydrophobicContact CG-CG 4.4Å; L381-L385 WeakPolarHBondContact O-CG 3.24Å; L381-L385 PolarHBondContact O-N 2.85Å; L381-V463 HydrophobicContact CD2-CG1 3.35Å; L381-V463 HydrophobicContact CG-CG1 4.37Å; L381-L467 HydrophobicContact CD1-CD2 4.38Å; L381-L519 HydrophobicContact CD1-CD1 3.67Å; L381-L554 HydrophobicContact CB-CD1 4.18Å; L381-L554 HydrophobicContact CD1-CD1 4.23Å; L381-W561 HydrophobicContact CD2-CD2 4.13Å; L381-W561 VanDerWaalsContact CD2-CE2 3.41Å; L381-W561 HydrophobicContact CD2-CG 4.49Å; L381-W561 HydrophobicContact CD2-CZ2 3.66Å
382A97.3Very high94.1Very high4 Ų437 Ų373%0.03321%0.207CC..Hα-helixtrans-60.9-38.9177.900000111.7L378 S386L378-A382 WeakPolarHBondContact O-CB 3.4Å; L378-A382 PolarHBondContact O-N 2.62Å; A382-S386 VanDerWaalsContact O-CB 3.31Å; A382-S386 WeakPolarHBondContact O-CB 3.31Å; A382-S386 PolarHBondContact O-N 3.49Å
383G95.6Very high94Very high46 Ų4637.9 Ų37.947%0.47422%0.22SC..Hα-helixtrans-60.7-46.8172.700000112.4P379 T380 L381 S386 G387P379-G383 PolarHBondContact O-N 2.75Å; T380-G383 PolarHBondContact O-N 2.87Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.29Å; G383-S386 PolarHBondContact O-N 3.39Å; G383-G387 PolarHBondContact O-N 2.91Å
384T95.3Very high93.6Very high21 Ų2140.4 Ų40.413%0.12923%0.233CC..Hα-helixtrans-61.8-49178-56.90000111.8T380 L381 S386 G387 V388 L519T380-T384 PolarHBondContact O-N 2.98Å; T380-T384 VanDerWaalsContact O-N 3.15Å; T380-T384 PolarHBondContact O-OG1 2.82Å; T380-T384 VanDerWaalsContact O-OG1 3.07Å; L381-T384 PolarHBondContact O-N 3.18Å; L381-T384 VanDerWaalsContact O-N 3.15Å; T384-S386 VanDerWaalsContact C-N 3.3Å; T384-S386 PolarHBondContact O-N 3.41Å; T384-G387 WeakPolarHBondContact O-CA 3.22Å; T384-G387 PolarHBondContact O-N 3.05Å; T384-G387 VanDerWaalsContact O-N 3.07Å; T384-V388 PolarHBondContact O-N 3.42Å; T384-L519 HydrophobicContact CG2-CB 4.19Å; T384-L519 HydrophobicContact CG2-CD1 4.39Å; T384-L519 HydrophobicContact CG2-CD2 4.35Å
385L96.7Very high93.6Very high0 Ų039.7 Ų39.70%023%0.229CC..Hα-helixtrans-65.7-31177.8-67.5175.5000112.6R220 L381 G387 V388 S389 F396 E466 L467 L470R220-L385 HydrophobicContact CG-CB 4.47Å; L381-L385 HydrophobicContact CD1-CD1 4.11Å; L381-L385 HydrophobicContact CD1-CG 4.12Å; L381-L385 HydrophobicContact CG-CD1 4Å; L381-L385 HydrophobicContact CG-CG 4.4Å; L381-L385 WeakPolarHBondContact O-CG 3.24Å; L381-L385 PolarHBondContact O-N 2.85Å; L385-G387 VanDerWaalsContact C-N 3.35Å; L385-V388 PolarHBondContact O-N 3.44Å; L385-S389 VanDerWaalsContact O-CB 3.27Å; L385-S389 WeakPolarHBondContact O-CB 3.22Å; L385-S389 PolarHBondContact O-N 3.34Å; L385-F396 HydrophobicContact CD2-CZ 4.29Å; L385-E466 HydrophobicContact CD1-CB 4.4Å; L385-L467 HydrophobicContact CD2-CD2 4.28Å; L385-L470 HydrophobicContact CD2-CD2 4.24Å
386S95.6Very high93.6Very high17 Ų1739.3 Ų39.312%0.11923%0.227CC..Hα-helixtrans-66.5-37.8171.6-167.90000111.5A382 G383 T384 S389 R390A382-S386 VanDerWaalsContact O-CB 3.31Å; A382-S386 WeakPolarHBondContact O-CB 3.31Å; A382-S386 PolarHBondContact O-N 3.49Å; G383-S386 PolarHBondContact O-N 3.39Å; T384-S386 VanDerWaalsContact C-N 3.3Å; T384-S386 PolarHBondContact O-N 3.41Å; S386-S389 PolarHBondContact O-N 3.17Å; S386-R390 VanDerWaalsContact O-CG 3.28Å; S386-R390 WeakPolarHBondContact O-CG 3.1Å; S386-R390 PolarHBondContact O-N 3.34Å
387G93.7Very high93.8Very high34 Ų3435.1 Ų35.135%0.35121%0.208SC..Hα-helixtrans-58.4-53171.200000111.9G383 T384 L385 S389 R390 T391G383-G387 PolarHBondContact O-N 2.91Å; T384-G387 WeakPolarHBondContact O-CA 3.22Å; T384-G387 PolarHBondContact O-N 3.05Å; T384-G387 VanDerWaalsContact O-N 3.07Å; L385-G387 VanDerWaalsContact C-N 3.35Å; G387-S389 VanDerWaalsContact C-N 3.32Å; G387-S389 PolarHBondContact O-N 3.09Å; G387-R390 PolarHBondContact O-N 3.35Å; G387-R390 VanDerWaalsContact O-N 3.16Å; G387-T391 PolarHBondContact O-N 3.4Å; G387-T391 PolarHBondContact O-OG1 2.79Å; G387-T391 VanDerWaalsContact O-OG1 3.1Å
388V92.9Very high93.8Very high20 Ų2035.3 Ų35.312%0.12121%0.206CC..Hα-helixtrans-56.3-46.7176.6173.50000111.4T384 L385 R390 T391 Y392 F396 L470T384-V388 PolarHBondContact O-N 3.42Å; L385-V388 PolarHBondContact O-N 3.44Å; V388-R390 VanDerWaalsContact C-N 3.32Å; V388-R390 PolarHBondContact O-N 3.22Å; V388-T391 PolarHBondContact O-N 3.07Å; V388-Y392 HydrophobicContact CG1-CD2 4.14Å; V388-Y392 PolarHBondContact O-N 3.38Å; V388-F396 HydrophobicContact CG1-CD1 4.04Å; V388-F396 HydrophobicContact CG1-CD2 4.15Å; V388-F396 HydrophobicContact CG1-CE1 4.21Å; V388-F396 HydrophobicContact CG1-CE2 4.35Å; V388-F396 HydrophobicContact CG1-CG 3.99Å; V388-F396 HydrophobicContact CG1-CZ 4.36Å; V388-L470 HydrophobicContact CG1-CD1 3.74Å; V388-L470 HydrophobicContact CG2-CD1 4.46Å; V388-L470 HydrophobicContact CG2-CD2 4.47Å
389S94Very high93.8Very high2 Ų235.1 Ų35.11%0.01421%0.206CC..Hα-helixtrans-58.1-42.6178.4173.60000112.4R220 L385 S386 G387 Y392 A393 P397R220-S389 VanDerWaalsContact O-CB 3.27Å; R220-S389 WeakPolarHBondContact O-CB 3.44Å; R220-S389 PolarHBondContact O-OG 2.94Å; L385-S389 VanDerWaalsContact O-CB 3.27Å; L385-S389 WeakPolarHBondContact O-CB 3.22Å; L385-S389 PolarHBondContact O-N 3.34Å; S386-S389 PolarHBondContact O-N 3.17Å; G387-S389 VanDerWaalsContact C-N 3.32Å; G387-S389 PolarHBondContact O-N 3.09Å; S389-Y392 CarbonylContact O-C 3.48Å; S389-A393 WeakPolarHBondContact O-CA 3.3Å; S389-A393 WeakPolarHBondContact O-CB 3.27Å; S389-A393 PolarHBondContact O-N 3.15Å; S389-P397 WeakPolarHBondContact OG-CG 3.24Å
390R91.3Very high93.9Very high168 Ų16834.6 Ų34.663%0.63420%0.202SC*.Hα-helixtrans-69.6-42.2177.7-69169.6-173.3-151.4-1112.5S386 G387 V388 Y392S386-R390 VanDerWaalsContact O-CG 3.28Å; S386-R390 WeakPolarHBondContact O-CG 3.1Å; S386-R390 PolarHBondContact O-N 3.34Å; G387-R390 PolarHBondContact O-N 3.35Å; G387-R390 VanDerWaalsContact O-N 3.16Å; V388-R390 VanDerWaalsContact C-N 3.32Å; V388-R390 PolarHBondContact O-N 3.22Å; R390-Y392 VanDerWaalsContact C-N 3.35Å
391T89.5Confident94Very high98 Ų9833.3 Ų33.360%0.60119%0.189SC*.Hα-helixtrans-63.4-42178-56.70000111.3G387 V388G387-T391 PolarHBondContact O-N 3.4Å; G387-T391 PolarHBondContact O-OG1 2.79Å; G387-T391 VanDerWaalsContact O-OG1 3.1Å; V388-T391 PolarHBondContact O-N 3.07Å
392Y89.2Confident94.1Very high64 Ų6433.1 Ų33.125%0.25119%0.188SC..THydrogen-bonded Turntrans-115.743.2-176.1-55.1-67.5000112.8V388 S389 R390 H394 V395 F396 P397 L475V388-Y392 HydrophobicContact CG1-CD2 4.14Å; V388-Y392 PolarHBondContact O-N 3.38Å; S389-Y392 CarbonylContact O-C 3.48Å; R390-Y392 VanDerWaalsContact C-N 3.35Å; Y392-H394 PolarHBondContact O-N 2.62Å; Y392-V395 PolarHBondContact O-N 3.46Å; Y392-F396 PolarHBondContact O-N 3.5Å; Y392-P397 WeakPolarHBondContact O-CD 3.38Å; Y392-L475 HydrophobicContact CD1-CD2 3.71Å; Y392-L475 HydrophobicContact CD2-CB 4.15Å; Y392-L475 HydrophobicContact CD2-CD1 3.96Å; Y392-L475 HydrophobicContact CD2-CD2 4Å; Y392-L475 HydrophobicContact CD2-CG 4.26Å; Y392-L475 HydrophobicContact CE1-CD2 3.8Å; Y392-L475 HydrophobicContact CE2-CB 4.07Å; Y392-L475 HydrophobicContact CE2-CD2 4.05Å; Y392-L475 HydrophobicContact CE2-CG 4.47Å; Y392-L475 HydrophobicContact CG-CD1 3.92Å; Y392-L475 HydrophobicContact CG-CD2 3.8Å; Y392-L475 HydrophobicContact CG-CG 4.36Å
393A89Confident94.1Very high56 Ų5632.9 Ų32.946%0.46319%0.186SC..THydrogen-bonded Turntrans-57.5-26.5-171.600000114.9S389S389-A393 WeakPolarHBondContact O-CA 3.3Å; S389-A393 WeakPolarHBondContact O-CB 3.27Å; S389-A393 PolarHBondContact O-N 3.15Å
394H85.7Confident94.3Very high80 Ų8030.7 Ų30.737%0.3716%0.163SC..THydrogen-bonded Turntrans-85.4-11.5-178.265.4-74.2000114Y392 G492 P494Y392-H394 PolarHBondContact O-N 2.62Å; H394-G492 PolarHBondContact CD2-O 3.27Å; H394-P494 VanDerWaalsContact O-CG 3.29Å; H394-P494 WeakPolarHBondContact O-CG 3.41Å
395V91.3Very high94.4Very high0 Ų029.7 Ų29.70%016%0.157CC..THydrogen-bonded Turntrans-124.4-59.3-178.3179.50000112.1Y392 I398 A399 I491 G492 A497Y392-V395 PolarHBondContact O-N 3.46Å; V395-I398 PolarHBondContact O-N 3.2Å; V395-A399 WeakPolarHBondContact O-CB 3.44Å; V395-A399 PolarHBondContact O-N 3.06Å; V395-I491 VanDerWaalsContact CG2-O 3.29Å; V395-I491 WeakPolarHBondContact CG2-O 3.36Å; V395-G492 VanDerWaalsContact CG2-O 3.29Å; V395-G492 WeakPolarHBondContact CG2-O 3.26Å; V395-A497 HydrophobicContact CG1-CB 3.69Å
396F94.5Very high94.4Very high0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-60.1-51.1-167.1173.6-100.8000112.6T222 L385 V388 Y392 I398 A399 C400 E466 V469 L470 L475T222-F396 HydrophobicContact CG2-CD1 4.3Å; T222-F396 HydrophobicContact CG2-CE1 3.77Å; T222-F396 HydrophobicContact CG2-CZ 4.44Å; L385-F396 HydrophobicContact CD2-CZ 4.29Å; V388-F396 HydrophobicContact CG1-CD1 4.04Å; V388-F396 HydrophobicContact CG1-CD2 4.15Å; V388-F396 HydrophobicContact CG1-CE1 4.21Å; V388-F396 HydrophobicContact CG1-CE2 4.35Å; V388-F396 HydrophobicContact CG1-CG 3.99Å; V388-F396 HydrophobicContact CG1-CZ 4.36Å; Y392-F396 PolarHBondContact O-N 3.5Å; F396-I398 VanDerWaalsContact C-N 3.34Å; F396-I398 PolarHBondContact O-N 3.2Å; F396-A399 PolarHBondContact O-N 3.31Å; F396-C400 VanDerWaalsContact CE2-SG 3.56Å; F396-C400 WeakPolarHBondContact O-CB 3.4Å; F396-C400 PolarHBondContact O-N 3.05Å; F396-C400 PolarHBondContact O-SG 3.35Å; F396-E466 WeakPolarHBondContact CE2-O 3.41Å; F396-E466 HydrophobicContact CZ-CB 4.16Å; F396-V469 HydrophobicContact CD2-CG1 4.11Å; F396-V469 HydrophobicContact CE2-CG1 4.31Å; F396-L470 HydrophobicContact CE2-CB 3.89Å; F396-L475 HydrophobicContact CB-CD1 3.9Å; F396-L475 HydrophobicContact CD2-CD1 4.41Å
397P96Very high94.5Very high6 Ų628.9 Ų28.94%0.03915%0.152CC..Hα-helixtrans-60.4-43179.1-24.536.6000112.8D221 S389 Y392 C400 R401D221-P397 HydrophobicContact CB-CB 3.93Å; D221-P397 HydrophobicContact CB-CG 4.24Å; D221-P397 WeakPolarHBondContact O-CB 3.5Å; S389-P397 WeakPolarHBondContact OG-CG 3.24Å; Y392-P397 WeakPolarHBondContact O-CD 3.38Å; P397-C400 PolarHBondContact O-N 2.9Å; P397-R401 WeakPolarHBondContact O-CB 3.48Å; P397-R401 WeakPolarHBondContact O-CD 3.42Å; P397-R401 WeakPolarHBondContact O-CG 3.48Å; P397-R401 PolarHBondContact O-N 3.28Å
398I95.5Very high94.6Very high31 Ų3127.3 Ų27.316%0.15914%0.135CC..Hα-helixtrans-66.6-44.2-177.5-58.1-179.6000110.6I168 V395 F396 R401 L402 P494I168-I398 HydrophobicContact CD1-CG2 3.71Å; V395-I398 PolarHBondContact O-N 3.2Å; F396-I398 VanDerWaalsContact C-N 3.34Å; F396-I398 PolarHBondContact O-N 3.2Å; I398-R401 PolarHBondContact O-N 3.15Å; I398-L402 HydrophobicContact CG2-CD1 4.19Å; I398-L402 WeakPolarHBondContact O-CG 3.26Å; I398-L402 PolarHBondContact O-N 3.45Å; I398-P494 HydrophobicContact CB-CB 3.83Å; I398-P494 HydrophobicContact CB-CG 3.89Å; I398-P494 HydrophobicContact CD1-CG 3.97Å; I398-P494 HydrophobicContact CG1-CG 4.5Å; I398-P494 HydrophobicContact CG2-CB 3.44Å; I398-P494 VanDerWaalsContact CG2-CB 3.44Å; I398-P494 HydrophobicContact CG2-CG 3.76Å
399A97.2Very high94.7Very high0 Ų026.4 Ų26.40%013%0.13CC..Hα-helixtrans-63-43.917700000111.9V395 F396 R401 L402 A403 V469 A497V395-A399 WeakPolarHBondContact O-CB 3.44Å; V395-A399 PolarHBondContact O-N 3.06Å; F396-A399 PolarHBondContact O-N 3.31Å; A399-R401 VanDerWaalsContact C-N 3.33Å; A399-R401 PolarHBondContact O-N 2.77Å; A399-L402 PolarHBondContact O-N 3.34Å; A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 3.1Å; A399-V469 HydrophobicContact CB-CG1 3.64Å; A399-A497 HydrophobicContact CB-CB 3.65Å
400C98.5Very high94.7Very high0 Ų026.8 Ų26.80%013%0.131CC..Hα-helixtrans-57.8-45173.2-71.80000111.8T222 F396 P397 A403 K404 E466T222-C400 HydrophobicContact CG2-CB 3.85Å; F396-C400 VanDerWaalsContact CE2-SG 3.56Å; F396-C400 WeakPolarHBondContact O-CB 3.4Å; F396-C400 PolarHBondContact O-N 3.05Å; F396-C400 PolarHBondContact O-SG 3.35Å; P397-C400 PolarHBondContact O-N 2.9Å; C400-A403 PolarHBondContact O-N 3.24Å; C400-K404 WeakPolarHBondContact O-CB 3.49Å; C400-K404 VanDerWaalsContact O-CG 3.23Å; C400-K404 WeakPolarHBondContact O-CG 3.39Å; C400-K404 PolarHBondContact O-N 3Å; C400-E466 HydrophobicContact CB-CG 4.28Å
401R98.3Very high94.7Very high48 Ų4818.8 Ų18.818%0.18110%0.101CC..Hα-helixtrans-64.1-41.7178.5-70.5169.863.3-165.11112.2I168 D221 S223 V224 P397 I398 A399 R405I168-R401 HydrophobicContact CB-CB 4.39Å; I168-R401 HydrophobicContact CD1-CB 4.22Å; I168-R401 HydrophobicContact CG2-CB 3.98Å; I168-R401 PolarHBondContact O-NH2 3.15Å; D221-R401 WeakPolarHBondContact O-CD 2.99Å; S223-R401 WeakPolarHBondContact O-CD 3.34Å; S223-R401 VanDerWaalsContact O-CG 3.26Å; S223-R401 WeakPolarHBondContact O-CG 3.34Å; S223-R401 PolarHBondContact O-NE 2.87Å; V224-R401 PolarHBondContact O-NE 3.34Å; V224-R401 PolarHBondContact O-NH2 3.11Å; P397-R401 WeakPolarHBondContact O-CB 3.48Å; P397-R401 WeakPolarHBondContact O-CD 3.42Å; P397-R401 WeakPolarHBondContact O-CG 3.48Å; P397-R401 PolarHBondContact O-N 3.28Å; I398-R401 PolarHBondContact O-N 3.15Å; A399-R401 VanDerWaalsContact C-N 3.33Å; A399-R401 PolarHBondContact O-N 2.77Å; R401-R405 WeakPolarHBondContact O-CB 3.31Å; R401-R405 PolarHBondContact O-N 3.01Å
402L98.3Very high94.9Very high0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-63.7-45.2175.3-73.5168.3000111.7L164 I168 I398 A399 R405 W406 F498 F602L164-L402 HydrophobicContact CB-CD1 3.98Å; L164-L402 HydrophobicContact CB-CD2 3.68Å; L164-L402 HydrophobicContact CD1-CD1 4.19Å; I168-L402 HydrophobicContact CG2-CD2 3.83Å; I168-L402 HydrophobicContact CG2-CG 4.18Å; I398-L402 HydrophobicContact CG2-CD1 4.19Å; I398-L402 WeakPolarHBondContact O-CG 3.26Å; I398-L402 PolarHBondContact O-N 3.45Å; A399-L402 PolarHBondContact O-N 3.34Å; L402-R405 PolarHBondContact O-N 3.05Å; L402-W406 WeakPolarHBondContact O-CB 3.44Å; L402-W406 PolarHBondContact O-N 3.34Å; L402-F498 HydrophobicContact CB-CB 4.35Å; L402-F498 HydrophobicContact CB-CD1 4.39Å; L402-F498 HydrophobicContact CB-CD2 3.84Å; L402-F498 HydrophobicContact CB-CE2 4.26Å; L402-F498 HydrophobicContact CB-CG 3.93Å; L402-F498 HydrophobicContact CD1-CB 4.17Å; L402-F498 HydrophobicContact CD1-CG 4.37Å; L402-F602 HydrophobicContact CD2-CZ 4.39Å
403A98.7Very high95.2Very high0 Ų011.1 Ų11.10%06%0.061CC..Hα-helixtrans-58.6-51.6176.800000111.9A399 C400 R405 W406 L407 V465 V469 F498 F501A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 3.1Å; C400-A403 PolarHBondContact O-N 3.24Å; A403-R405 PolarHBondContact O-N 3.02Å; A403-W406 PolarHBondContact O-N 3.36Å; A403-L407 WeakPolarHBondContact O-CG 3.5Å; A403-L407 PolarHBondContact O-N 3.18Å; A403-V465 HydrophobicContact CB-CG1 3.7Å; A403-V469 HydrophobicContact CB-CG2 3.99Å; A403-F498 HydrophobicContact CB-CD2 4.44Å; A403-F501 HydrophobicContact CB-CD1 3.74Å; A403-F501 HydrophobicContact CB-CD2 4.32Å; A403-F501 HydrophobicContact CB-CE1 3.55Å; A403-F501 HydrophobicContact CB-CE2 4.14Å; A403-F501 HydrophobicContact CB-CG 4.12Å; A403-F501 HydrophobicContact CB-CZ 3.75Å
404K98.5Very high95.5Very high0 Ų08.5 Ų8.50%04%0.039CC..Hα-helixtrans-62.5-40.6176.8-67.3174.7-176.7-175.20112.1T222 V224 C400 L407 S408 V414 E462 V465 E466T222-K404 WeakPolarHBondContact O-CD 3.44Å; T222-K404 WeakPolarHBondContact O-CE 3.27Å; T222-K404 PolarHBondContact O-NZ 3.41Å; V224-K404 HydrophobicContact CG2-CB 3.37Å; V224-K404 HydrophobicContact CG2-CD 4.17Å; V224-K404 HydrophobicContact CG2-CG 4.42Å; C400-K404 WeakPolarHBondContact O-CB 3.49Å; C400-K404 VanDerWaalsContact O-CG 3.23Å; C400-K404 WeakPolarHBondContact O-CG 3.39Å; C400-K404 PolarHBondContact O-N 3Å; K404-L407 PolarHBondContact O-N 2.99Å; K404-S408 PolarHBondContact O-N 2.62Å; K404-V414 HydrophobicContact CB-CG1 4.3Å; K404-V414 HydrophobicContact CB-CG2 4.09Å; K404-V414 HydrophobicContact CD-CG2 4.31Å; K404-V414 HydrophobicContact CG-CG1 4.1Å; K404-V414 HydrophobicContact CG-CG2 4.01Å; K404-E462 HydrophobicContact CD-CG 4.24Å; K404-E462 WeakPolarHBondContact CE-OE1 3.41Å; K404-E462 IonicContact NZ-OE1 3.06Å; K404-E462 PolarHBondContact NZ-OE1 3.28Å; K404-V465 HydrophobicContact CG-CB 4.44Å; K404-V465 HydrophobicContact CG-CG1 3.91Å; K404-E466 IonicContact NZ-OE1 3.93Å; K404-E466 PolarHBondContact NZ-OE1 3.47Å
405R97.2Very high95.9Very high0 Ų04.8 Ų4.80%02%0.022CC..Hα-helixtrans-63.2-43.5176.5-17368.5-177.4116-24.1111.5F167 I168 V224 R401 L402 A403 A409 F602 E626 D689 H691F167-R405 PolarHBondContact O-NE 3.37Å; I168-R405 HydrophobicContact CG2-CB 4.21Å; V224-R405 HydrophobicContact CG1-CB 3.94Å; V224-R405 HydrophobicContact CG1-CG 4.38Å; R401-R405 WeakPolarHBondContact O-CB 3.31Å; R401-R405 PolarHBondContact O-N 3.01Å; L402-R405 PolarHBondContact O-N 3.05Å; A403-R405 PolarHBondContact O-N 3.02Å; R405-A409 VanDerWaalsContact O-CB 3.25Å; R405-A409 WeakPolarHBondContact O-CB 3.24Å; R405-A409 PolarHBondContact O-N 2.87Å; R405-F602 HydrophobicContact CB-CE1 4.34Å; R405-F602 HydrophobicContact CG-CD1 4.27Å; R405-F602 HydrophobicContact CG-CE1 4.11Å; R405-E626 PolarHBondContact NH2-O 3.23Å; R405-D689 IonicContact CZ-OD2 3.82Å; R405-D689 VanDerWaalsContact NH1-CG 3.32Å; R405-D689 IonicContact NH1-OD1 3.98Å; R405-D689 PolarHBondContact NH1-OD1 3.32Å; R405-D689 IonicContact NH1-OD2 2.67Å; R405-D689 PolarHBondContact NH1-OD2 3.17Å; R405-D689 IonicContact NH2-OD2 2.88Å; R405-H691 VanDerWaalsContact CZ-CB 3.46Å; R405-H691 PolarHBondContact NH2-O 3.27Å
406W97.9Very high96Very high0 Ų07 Ų70%03%0.034CC..Hα-helixtrans-62.7-49.5177.2177.681.9000111.1L402 A403 S408 A409 Q410 F498 F501 L502 L505 L574 L577 A578 S581 I601 F602L402-W406 WeakPolarHBondContact O-CB 3.44Å; L402-W406 PolarHBondContact O-N 3.34Å; A403-W406 PolarHBondContact O-N 3.36Å; W406-S408 PolarHBondContact O-N 2.98Å; W406-A409 WeakPolarHBondContact O-CB 3.42Å; W406-A409 PolarHBondContact O-N 2.91Å; W406-A409 VanDerWaalsContact O-N 3.09Å; W406-Q410 HydrophobicContact CD2-CG 4.11Å; W406-Q410 HydrophobicContact CH2-CG 4.48Å; W406-Q410 HydrophobicContact CZ2-CG 3.95Å; W406-Q410 WeakPolarHBondContact O-CG 3.34Å; W406-Q410 PolarHBondContact O-N 3.18Å; W406-F498 HydrophobicContact CB-CE2 3.99Å; W406-F498 HydrophobicContact CB-CZ 3.74Å; W406-F498 HydrophobicContact CG-CE2 4.35Å; W406-F498 AromaticContact CG-CZ 3.9Å; W406-F498 HydrophobicContact CG-CZ 3.9Å; W406-F501 HydrophobicContact CE3-CE1 4.34Å; W406-L502 HydrophobicContact CD2-CD2 3.87Å; W406-L502 HydrophobicContact CE3-CD2 3.93Å; W406-L502 HydrophobicContact CH2-CD2 3.99Å; W406-L502 HydrophobicContact CZ2-CD2 3.91Å; W406-L502 HydrophobicContact CZ3-CD2 3.99Å; W406-L505 HydrophobicContact CZ3-CD1 4.25Å; W406-L574 HydrophobicContact CH2-CD2 4.34Å; W406-L574 HydrophobicContact CZ3-CD2 4.29Å; W406-L577 HydrophobicContact CH2-CB 4.22Å; W406-L577 HydrophobicContact CZ2-CB 4.06Å; W406-A578 HydrophobicContact CH2-CB 3.93Å; W406-A578 HydrophobicContact CZ2-CB 4.47Å; W406-S581 PolarHBondContact NE1-OG 3.5Å; W406-I601 PolarHBondContact NE1-O 2.83Å; W406-I601 VanDerWaalsContact NE1-O 3.17Å; W406-F602 HydrophobicContact CB-CD1 4.22Å; W406-F602 HydrophobicContact CB-CE1 3.9Å
407L97.4Very high96Very high0 Ų07.2 Ų7.20%04%0.035CC..Hα-helixtrans-55.9-48.1176.6-74.5170.2000112.2A403 K404 A409 Q410 G411 Y412 V414 V465 F501 L574A403-L407 WeakPolarHBondContact O-CG 3.5Å; A403-L407 PolarHBondContact O-N 3.18Å; K404-L407 PolarHBondContact O-N 2.99Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.48Å; L407-Q410 PolarHBondContact O-N 3.03Å; L407-G411 PolarHBondContact O-N 3.44Å; L407-Y412 CarbonylContact C-O 3.53Å; L407-Y412 VanDerWaalsContact C-O 3.29Å; L407-Y412 WeakPolarHBondContact CB-O 3.36Å; L407-Y412 CarbonylContact O-C 3.56Å; L407-Y412 WeakPolarHBondContact O-CA 3.35Å; L407-Y412 PolarHBondContact O-N 3.14Å; L407-V414 HydrophobicContact CB-CG1 4.14Å; L407-V414 HydrophobicContact CD1-CG1 3.62Å; L407-V465 HydrophobicContact CD1-CG1 4.43Å; L407-V465 HydrophobicContact CD1-CG2 3.53Å; L407-F501 HydrophobicContact CD1-CZ 4.42Å; L407-L574 HydrophobicContact CD2-CD1 4.26Å; L407-L574 HydrophobicContact CD2-CD2 3.76Å
408S95.5Very high95.9Very high0 Ų07 Ų70%03%0.033CC..Hα-helixtrans-60.5-42.7175.4-170.50000112.2K404 W406 Q410 G411 D689 R690 H691K404-S408 PolarHBondContact O-N 2.62Å; W406-S408 PolarHBondContact O-N 2.98Å; S408-Q410 VanDerWaalsContact C-N 3.29Å; S408-Q410 PolarHBondContact O-N 3.11Å; S408-G411 PolarHBondContact O-N 2.91Å; S408-D689 WeakPolarHBondContact CB-OD1 3.31Å; S408-D689 WeakPolarHBondContact O-CA 3.32Å; S408-D689 WeakPolarHBondContact O-CB 3.43Å; S408-D689 PolarHBondContact OG-OD1 2.86Å; S408-R690 PolarHBondContact OG-N 2.94Å; S408-R690 VanDerWaalsContact OG-N 3.13Å; S408-H691 PolarHBondContact OG-CD2 3.18Å
409A94.6Very high95.6Very high1 Ų15.8 Ų5.81%0.0083%0.027CC..Hα-helixtrans-66.6-29.7179.300000113.4R405 W406 L407 G411 F602 P604 L628R405-A409 VanDerWaalsContact O-CB 3.25Å; R405-A409 WeakPolarHBondContact O-CB 3.24Å; R405-A409 PolarHBondContact O-N 2.87Å; W406-A409 WeakPolarHBondContact O-CB 3.42Å; W406-A409 PolarHBondContact O-N 2.91Å; W406-A409 VanDerWaalsContact O-N 3.09Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.48Å; A409-G411 PolarHBondContact O-N 3.27Å; A409-F602 HydrophobicContact CB-CB 3.95Å; A409-F602 HydrophobicContact CB-CD1 4.15Å; A409-F602 WeakPolarHBondContact CB-O 3.37Å; A409-P604 WeakPolarHBondContact O-CD 3.32Å; A409-L628 HydrophobicContact CB-CD1 3.94Å
410Q93.9Very high95.1Very high10 Ų107.1 Ų7.15%0.0473%0.033CC..THydrogen-bonded Turntrans-76.5-4.5172.1-64.3-55.1-32.600113.4W406 L407 S408 Y412 L577 I601 R603W406-Q410 HydrophobicContact CD2-CG 4.11Å; W406-Q410 HydrophobicContact CH2-CG 4.48Å; W406-Q410 HydrophobicContact CZ2-CG 3.95Å; W406-Q410 WeakPolarHBondContact O-CG 3.34Å; W406-Q410 PolarHBondContact O-N 3.18Å; L407-Q410 PolarHBondContact O-N 3.03Å; S408-Q410 VanDerWaalsContact C-N 3.29Å; S408-Q410 PolarHBondContact O-N 3.11Å; Q410-Y412 HydrophobicContact CB-CD2 4.24Å; Q410-L577 HydrophobicContact CB-CD1 4.48Å; Q410-I601 PolarHBondContact NE2-O 2.76Å; Q410-R603 PolarHBondContact NE2-O 3.41Å; Q410-R603 PolarHBondContact OE1-O 3.41Å
411G92.9Very high94.7Very high0 Ų07.5 Ų7.50%04%0.036CC..THydrogen-bonded Turntrans95.48.7-179.100000115.2L407 S408 A409 P413 R687 W688 W695L407-G411 PolarHBondContact O-N 3.44Å; S408-G411 PolarHBondContact O-N 2.91Å; A409-G411 PolarHBondContact O-N 3.27Å; G411-P413 VanDerWaalsContact O-CD 3.22Å; G411-P413 WeakPolarHBondContact O-CD 3.33Å; G411-R687 VanDerWaalsContact O-CA 3.3Å; G411-R687 WeakPolarHBondContact O-CA 3.41Å; G411-R687 WeakPolarHBondContact O-CB 3.27Å; G411-W688 CarbonylContact C-O 3.45Å; G411-W688 WeakPolarHBondContact CA-O 3.34Å; G411-W688 PolarHBondContact O-N 3.46Å; G411-W695 VanDerWaalsContact CA-CH2 3.47Å
412Y93.8Very high94.1Very high2 Ų25.3 Ų5.31%0.0083%0.027CC..  trans-116.867.8179.1-57.1-63.4000110.7L407 Q410 V414 G458 L574 L577 E685 R687L407-Y412 CarbonylContact C-O 3.53Å; L407-Y412 VanDerWaalsContact C-O 3.29Å; L407-Y412 WeakPolarHBondContact CB-O 3.36Å; L407-Y412 CarbonylContact O-C 3.56Å; L407-Y412 WeakPolarHBondContact O-CA 3.35Å; L407-Y412 PolarHBondContact O-N 3.14Å; Q410-Y412 HydrophobicContact CB-CD2 4.24Å; Y412-V414 PolarHBondContact O-N 3.08Å; Y412-G458 VanDerWaalsContact CD1-CA 3.45Å; Y412-G458 VanDerWaalsContact CD1-N 3.28Å; Y412-L574 HydrophobicContact CD2-CD2 3.59Å; Y412-L574 HydrophobicContact CD2-CG 4.4Å; Y412-L574 HydrophobicContact CE2-CD2 3.82Å; Y412-L574 HydrophobicContact CE2-CG 4.38Å; Y412-L574 HydrophobicContact CG-CD2 4.48Å; Y412-L577 HydrophobicContact CE2-CD1 4.33Å; Y412-E685 WeakPolarHBondContact CE1-OE1 3.43Å; Y412-R687 HydrophobicContact CE1-CG 4.31Å; Y412-R687 PolarHBondContact OH-NH1 3.33Å; Y412-R687 PolarHBondContact OH-NH2 3.26Å
413P94.7Very high93.2Very high0 Ų06.5 Ų6.50%03%0.034CC..PPolyproline II helixtrans-61128.7-179.424.3-29.2000109.6G411 R459 W688 R690G411-P413 VanDerWaalsContact O-CD 3.22Å; G411-P413 WeakPolarHBondContact O-CD 3.33Å; P413-R459 PolarHBondContact O-NE 2.9Å; P413-W688 HydrophobicContact CB-CZ2 4.45Å; P413-W688 WeakPolarHBondContact CD-O 3.12Å; P413-W688 HydrophobicContact CG-CD2 3.72Å; P413-W688 VanDerWaalsContact CG-CE2 3.42Å; P413-W688 HydrophobicContact CG-CE3 3.96Å; P413-W688 HydrophobicContact CG-CG 4.45Å; P413-W688 HydrophobicContact CG-CH2 3.71Å; P413-W688 HydrophobicContact CG-CZ2 3.43Å; P413-W688 VanDerWaalsContact CG-CZ2 3.43Å; P413-W688 HydrophobicContact CG-CZ3 3.96Å; P413-R690 HydrophobicContact CB-CB 4.02Å; P413-R690 HydrophobicContact CB-CG 4.16Å
414V95.7Very high92.4Very high1 Ų16.6 Ų6.61%0.0063%0.034CC..PPolyproline II helixtrans-59.2145-178.5-65.70000111.3K404 L407 Y412 L416 M460 E462 V465 R690K404-V414 HydrophobicContact CB-CG1 4.3Å; K404-V414 HydrophobicContact CB-CG2 4.09Å; K404-V414 HydrophobicContact CD-CG2 4.31Å; K404-V414 HydrophobicContact CG-CG1 4.1Å; K404-V414 HydrophobicContact CG-CG2 4.01Å; L407-V414 HydrophobicContact CB-CG1 4.14Å; L407-V414 HydrophobicContact CD1-CG1 3.62Å; Y412-V414 PolarHBondContact O-N 3.08Å; V414-L416 PolarHBondContact O-N 3.13Å; V414-M460 CarbonylContact C-O 3.55Å; V414-M460 WeakPolarHBondContact CA-O 3.06Å; V414-E462 HydrophobicContact CB-CG 4.18Å; V414-E462 HydrophobicContact CG2-CG 3.7Å; V414-V465 HydrophobicContact CG1-CG2 3.93Å; V414-R690 PolarHBondContact O-NH1 2.78Å
415I93.2Very high91.2Very high2 Ų27.4 Ų7.41%0.014%0.043CC..BIsolated β-bridgetrans-75.5119.2176.9-54.7176.2000107.5Y419 E422 W447 R459 M460 T461 E462 I564I415-Y419 HydrophobicContact CG2-CD1 3.89Å; I415-Y419 HydrophobicContact CG2-CE1 4.36Å; I415-E422 HydrophobicContact CG2-CG 3.83Å; I415-W447 HydrophobicContact CG2-CH2 3.71Å; I415-W447 HydrophobicContact CG2-CZ2 4.28Å; I415-R459 HydrophobicContact CG1-CB 4.44Å; I415-M460 PolarHBondContact N-O 3.17Å; I415-T461 HydrophobicContact CB-CG2 4.3Å; I415-T461 HydrophobicContact CD1-CG2 4.24Å; I415-E462 WeakPolarHBondContact O-CG 3.48Å; I415-E462 PolarHBondContact O-N 2.85Å; I415-I564 HydrophobicContact CD1-CB 4.14Å; I415-I564 HydrophobicContact CD1-CG2 3.28Å
416L93.8Very high89.9Confident47 Ų478.2 Ų8.225%0.2465%0.047CC..PPolyproline II helixtrans-60152.1-174.3-65175.7000112.5V414 P418 Y419 S421 E422V414-L416 PolarHBondContact O-N 3.13Å; L416-P418 CarbonylContact C-O 3.55Å; L416-P418 CarbonylContact O-C 3.57Å; L416-Y419 WeakPolarHBondContact O-CA 3.34Å; L416-Y419 PolarHBondContact O-N 3.28Å; L416-S421 WeakPolarHBondContact CB-OG 3.45Å; L416-E422 HydrophobicContact CB-CG 4.33Å; L416-E422 WeakPolarHBondContact CG-OE1 3.48Å; L416-E422 PolarHBondContact N-OE1 2.8Å; L416-E422 VanDerWaalsContact N-OE1 3.11Å
417C94.6Very high87.9Confident3 Ų312.3 Ų12.32%0.027%0.066CC..SBendtrans-106.5128.7173.6-176.50000111.5S216 R220 E462 V463S216-C417 WeakPolarHBondContact CA-O 3.04Å; R220-C417 PolarHBondContact NH2-SG 3.01Å; C417-E462 HydrophobicContact CB-CB 4.04Å; C417-E462 WeakPolarHBondContact CB-OE2 3.28Å; C417-E462 PolarHBondContact N-OE2 3.49Å; C417-V463 HydrophobicContact CB-CG2 4.3Å
418P93.8Very high85.6Confident2 Ų217.5 Ų17.51%0.0139%0.094CC..SBendcis-73.1166.2-6.138.7-40.3000110.5Y264 L374 L378 L416 E420 S421Y264-P418 HydrophobicContact CD1-CG 3.4Å; Y264-P418 VanDerWaalsContact CD1-CG 3.4Å; Y264-P418 HydrophobicContact CD2-CG 4.02Å; Y264-P418 HydrophobicContact CE1-CG 3.92Å; Y264-P418 HydrophobicContact CE2-CG 4.49Å; Y264-P418 HydrophobicContact CG-CG 3.44Å; Y264-P418 VanDerWaalsContact CG-CG 3.44Å; L374-P418 HydrophobicContact CD1-CB 3.85Å; L374-P418 HydrophobicContact CD1-CG 4.42Å; L378-P418 HydrophobicContact CD2-CB 3.58Å; L416-P418 CarbonylContact C-O 3.55Å; L416-P418 CarbonylContact O-C 3.57Å; P418-E420 VanDerWaalsContact CB-OE2 3.26Å; P418-E420 WeakPolarHBondContact CB-OE2 3.35Å; P418-E420 PolarHBondContact O-N 2.88Å; P418-E420 VanDerWaalsContact O-N 3.14Å; P418-S421 WeakPolarHBondContact O-CB 3.11Å; P418-S421 PolarHBondContact O-N 2.85Å; P418-S421 PolarHBondContact O-OG 2.94Å
419Y88.6Confident83.2Confident5 Ų518.7 Ų18.72%0.0210%0.102CC..G310 helixtrans-58.9-31-173.2-67.7-11.7000114I415 L416 S421 E422 W447 T461 E560 I564I415-Y419 HydrophobicContact CG2-CD1 3.89Å; I415-Y419 HydrophobicContact CG2-CE1 4.36Å; L416-Y419 WeakPolarHBondContact O-CA 3.34Å; L416-Y419 PolarHBondContact O-N 3.28Å; Y419-S421 PolarHBondContact O-N 2.8Å; Y419-S421 VanDerWaalsContact O-N 3.11Å; Y419-E422 WeakPolarHBondContact O-CB 3.25Å; Y419-E422 PolarHBondContact O-N 3.26Å; Y419-W447 HydrophobicContact CD1-CZ2 4.39Å; Y419-W447 AromaticContact CD2-CZ2 3.66Å; Y419-W447 HydrophobicContact CD2-CZ2 3.66Å; Y419-W447 HydrophobicContact CG-CH2 4.12Å; Y419-W447 AromaticContact CG-CZ2 3.56Å; Y419-W447 HydrophobicContact CG-CZ2 3.56Å; Y419-T461 HydrophobicContact CE1-CG2 3.58Å; Y419-T461 VanDerWaalsContact OH-CG2 3.25Å; Y419-T461 WeakPolarHBondContact OH-CG2 3.28Å; Y419-E560 PolarHBondContact OH-O 3.31Å; Y419-I564 HydrophobicContact CD2-CD1 3.46Å; Y419-I564 VanDerWaalsContact CD2-CD1 3.46Å; Y419-I564 HydrophobicContact CE1-CD1 4.2Å; Y419-I564 HydrophobicContact CE2-CD1 3.06Å; Y419-I564 HydrophobicContact CE2-CG1 4.44Å; Y419-I564 HydrophobicContact CG-CD1 4.22Å; Y419-I564 VanDerWaalsContact CZ-CD1 3.48Å
420E87.7Confident80.9Confident28 Ų2822.6 Ų22.613%0.13113%0.13CC..G310 helixtrans-58-24.8176.6-62.273.5-163.100111.7Y264 R373 L374 P418 E422 L423Y264-E420 HydrophobicContact CE1-CB 3.87Å; Y264-E420 PolarHBondContact OH-O 2.84Å; R373-E420 IonicContact NH2-OE1 3.71Å; R373-E420 PolarHBondContact NH2-OE1 3.47Å; L374-E420 HydrophobicContact CD2-CG 4.42Å; P418-E420 VanDerWaalsContact CB-OE2 3.26Å; P418-E420 WeakPolarHBondContact CB-OE2 3.35Å; P418-E420 PolarHBondContact O-N 2.88Å; P418-E420 VanDerWaalsContact O-N 3.14Å; E420-E422 VanDerWaalsContact C-N 3.26Å; E420-E422 PolarHBondContact O-N 2.83Å; E420-L423 VanDerWaalsContact O-CB 3.29Å; E420-L423 WeakPolarHBondContact O-CB 3.35Å; E420-L423 PolarHBondContact O-N 2.97Å; E420-L423 VanDerWaalsContact O-N 3.13Å
421S90Very high78.6Confident9 Ų926.1 Ų26.16%0.06315%0.149CC..G310 helixtrans-70.9-15.5176.864.40000114.3L416 P418 Y419 L423 D424L416-S421 WeakPolarHBondContact CB-OG 3.45Å; P418-S421 WeakPolarHBondContact O-CB 3.11Å; P418-S421 PolarHBondContact O-N 2.85Å; P418-S421 PolarHBondContact O-OG 2.94Å; Y419-S421 PolarHBondContact O-N 2.8Å; Y419-S421 VanDerWaalsContact O-N 3.11Å; S421-L423 PolarHBondContact O-N 3.32Å; S421-D424 WeakPolarHBondContact CA-OD2 3.48Å; S421-D424 WeakPolarHBondContact CB-OD2 3.36Å; S421-D424 WeakPolarHBondContact O-CB 3.35Å; S421-D424 PolarHBondContact O-N 3.13Å
422E85.9Confident76.6Confident1 Ų127.2 Ų27.21%0.00515%0.154CC..G310 helixtrans-66.5-17.1169.8-75.5-80.6130.300112.9I415 L416 Y419 E420 W447 R459 K674 R690I415-E422 HydrophobicContact CG2-CG 3.83Å; L416-E422 HydrophobicContact CB-CG 4.33Å; L416-E422 WeakPolarHBondContact CG-OE1 3.48Å; L416-E422 PolarHBondContact N-OE1 2.8Å; L416-E422 VanDerWaalsContact N-OE1 3.11Å; Y419-E422 WeakPolarHBondContact O-CB 3.25Å; Y419-E422 PolarHBondContact O-N 3.26Å; E420-E422 VanDerWaalsContact C-N 3.26Å; E420-E422 PolarHBondContact O-N 2.83Å; E422-W447 HydrophobicContact CB-CH2 4.39Å; E422-W447 HydrophobicContact CB-CZ3 3.87Å; E422-W447 HydrophobicContact CG-CH2 4.25Å; E422-W447 HydrophobicContact CG-CZ3 4.23Å; E422-R459 IonicContact OE1-NH2 2.84Å; E422-R459 IonicContact OE2-CZ 3.67Å; E422-R459 IonicContact OE2-NH2 3.63Å; E422-R459 PolarHBondContact OE2-NH2 3.32Å; E422-K674 IonicContact OE2-NZ 2.67Å; E422-K674 PolarHBondContact OE2-NZ 3.04Å; E422-R690 IonicContact OE1-CZ 3.87Å; E422-R690 IonicContact OE1-NH1 2.78Å; E422-R690 PolarHBondContact OE1-NH1 3.23Å; E422-R690 IonicContact OE1-NH2 3.93Å; E422-R690 PolarHBondContact OE1-NH2 3.14Å; E422-R690 IonicContact OE2-NH2 3.21Å
423L79.3Confident74.5Confident25 Ų2528.7 Ų28.713%0.13116%0.16CC..G310 helixtrans-91.1-9.3179.1-58167.8000112.3E420 S421 G425 L426 L443 W446E420-L423 VanDerWaalsContact O-CB 3.29Å; E420-L423 WeakPolarHBondContact O-CB 3.35Å; E420-L423 PolarHBondContact O-N 2.97Å; E420-L423 VanDerWaalsContact O-N 3.13Å; S421-L423 PolarHBondContact O-N 3.32Å; L423-G425 PolarHBondContact O-N 3.24Å; L423-G425 VanDerWaalsContact O-N 3.08Å; L423-L426 PolarHBondContact O-N 3.38Å; L423-L443 HydrophobicContact CD1-CB 4.44Å; L423-L443 HydrophobicContact CD1-CD2 3.96Å; L423-L443 HydrophobicContact CD2-CD2 4.03Å; L423-L443 HydrophobicContact CG-CD2 4.46Å; L423-W446 HydrophobicContact CD2-CE3 3.52Å; L423-W446 HydrophobicContact CD2-CH2 3.91Å; L423-W446 HydrophobicContact CD2-CZ3 3.15Å; L423-W446 HydrophobicContact CG-CZ3 4.44Å
424D82Confident72.2Confident2 Ų235 Ų351%0.01120%0.201CC..THydrogen-bonded Turntrans-61.1116.3177.4-66.5-30.7000109.7F261 P262 Y264 R322 S421F261-D424 HydrophobicContact CD1-CB 3.59Å; F261-D424 HydrophobicContact CE1-CB 3.9Å; P262-D424 WeakPolarHBondContact CG-OD2 3.34Å; Y264-D424 PolarHBondContact OH-OD1 3.04Å; R322-D424 IonicContact CZ-OD1 3.62Å; R322-D424 IonicContact NH1-OD1 3.75Å; R322-D424 PolarHBondContact NH1-OD1 3.33Å; R322-D424 IonicContact NH2-OD1 3Å; S421-D424 WeakPolarHBondContact CA-OD2 3.48Å; S421-D424 WeakPolarHBondContact CB-OD2 3.36Å; S421-D424 WeakPolarHBondContact O-CB 3.35Å; S421-D424 PolarHBondContact O-N 3.13Å
425G72.5Confident69.7Low18 Ų1839.8 Ų39.819%0.18622%0.223CC..THydrogen-bonded Turntrans105.5-5.6-175.500000115.8L423 H427 C665L423-G425 PolarHBondContact O-N 3.24Å; L423-G425 VanDerWaalsContact O-N 3.08Å; G425-H427 VanDerWaalsContact C-N 3.29Å; G425-C665 WeakPolarHBondContact CA-O 3.39Å
426L69.7Low67.2Low16 Ų1644.5 Ų44.58%0.08425%0.254CS..  trans-92.118.4171.5-71.894.7000113.2L423 N428 F432 K674L423-L426 PolarHBondContact O-N 3.38Å; L426-N428 CarbonylContact O-C 3.58Å; L426-N428 PolarHBondContact O-N 3Å; L426-F432 HydrophobicContact CB-CE2 4.17Å; L426-F432 HydrophobicContact CD2-CD2 4.18Å; L426-F432 HydrophobicContact CD2-CE1 4.32Å; L426-F432 HydrophobicContact CD2-CE2 3.75Å; L426-F432 HydrophobicContact CD2-CZ 3.81Å; L426-F432 HydrophobicContact CG-CE2 4.1Å; L426-F432 HydrophobicContact CG-CZ 4.38Å; L426-K674 HydrophobicContact CD1-CG 4.16Å; L426-K674 HydrophobicContact CD2-CB 3.96Å; L426-K674 HydrophobicContact CD2-CG 4.4Å
427H55.5Low64.8Low87 Ų8750.9 Ų50.940%0.40328%0.282SS..  trans-47.5-34.9-165.8-75.8-72.7000116.5G425 S429 Y664 C665G425-H427 VanDerWaalsContact C-N 3.29Å; H427-S429 VanDerWaalsContact C-N 3.3Å; H427-S429 PolarHBondContact O-N 2.7Å; H427-Y664 AromaticContact NE2-CE1 3.9Å; H427-C665 VanDerWaalsContact CD2-CB 3.48Å; H427-C665 WeakPolarHBondContact CD2-CB 3.22Å; H427-C665 WeakPolarHBondContact NE2-CB 3.44Å; H427-C665 PolarHBondContact NE2-SG 3.08Å
428N49.5Very low62.3Low108 Ų10856 Ų5658%0.57831%0.306SS*.  trans-84.881173.6-72.2-5000109.7L426 S430 D431L426-N428 CarbonylContact O-C 3.58Å; L426-N428 PolarHBondContact O-N 3Å; N428-S430 PolarHBondContact O-N 3.49Å; N428-S430 VanDerWaalsContact O-N 3.1Å; N428-D431 PolarHBondContact O-N 3.47Å; N428-D431 VanDerWaalsContact O-N 3.07Å
429S44.8Very low59.8Low26 Ų2656 Ų5618%0.18231%0.306CS..G310 helixtrans-51.4-27.7171.557.30000112.7H427 D431 F432 F433 C439H427-S429 VanDerWaalsContact C-N 3.3Å; H427-S429 PolarHBondContact O-N 2.7Å; S429-D431 PolarHBondContact O-N 2.92Å; S429-D431 VanDerWaalsContact O-N 3.11Å; S429-F432 CarbonylContact O-C 3.5Å; S429-F432 WeakPolarHBondContact O-CA 3.34Å; S429-F432 PolarHBondContact O-N 2.81Å; S429-F433 WeakPolarHBondContact O-CB 3.27Å; S429-F433 WeakPolarHBondContact O-CD2 3.25Å; S429-F433 PolarHBondContact O-N 3.38Å; S429-C439 PolarHBondContact OG-SG 3.01Å
430S46.6Very low57.7Low83 Ų8357.9 Ų57.958%0.5832%0.32SS*.G310 helixtrans-56-28.8176.257.10000113.9N428 F432N428-S430 PolarHBondContact O-N 3.49Å; N428-S430 VanDerWaalsContact O-N 3.1Å; S430-F432 PolarHBondContact O-N 2.66Å
431D46.8Very low55.6Low84 Ų8458.3 Ų58.345%0.44933%0.326SS..G310 helixtrans-73.7-18.4177.5-62.8-15.7000111.9N428 S429N428-D431 PolarHBondContact O-N 3.47Å; N428-D431 VanDerWaalsContact O-N 3.07Å; S429-D431 PolarHBondContact O-N 2.92Å; S429-D431 VanDerWaalsContact O-N 3.11Å
432F50.5Low53.3Low23 Ų2358.2 Ų58.210%0.10133%0.326CS..THydrogen-bonded Turntrans-119.4-24.1-172.3-61.6-71.2000114.2L426 S429 S430 W671 L675 L678L426-F432 HydrophobicContact CB-CE2 4.17Å; L426-F432 HydrophobicContact CD2-CD2 4.18Å; L426-F432 HydrophobicContact CD2-CE1 4.32Å; L426-F432 HydrophobicContact CD2-CE2 3.75Å; L426-F432 HydrophobicContact CD2-CZ 3.81Å; L426-F432 HydrophobicContact CG-CE2 4.1Å; L426-F432 HydrophobicContact CG-CZ 4.38Å; S429-F432 CarbonylContact O-C 3.5Å; S429-F432 WeakPolarHBondContact O-CA 3.34Å; S429-F432 PolarHBondContact O-N 2.81Å; S430-F432 PolarHBondContact O-N 2.66Å; F432-W671 AromaticContact CE2-NE1 3.53Å; F432-W671 AromaticContact CZ-CD1 3.83Å; F432-W671 AromaticContact CZ-CE2 3.97Å; F432-W671 HydrophobicContact CZ-CZ2 4.48Å; F432-W671 AromaticContact CZ-NE1 3.38Å; F432-L675 HydrophobicContact CD1-CD1 4.43Å; F432-L675 HydrophobicContact CE1-CB 4.17Å; F432-L675 HydrophobicContact CE1-CD1 3.84Å; F432-L678 HydrophobicContact CB-CD1 4.45Å; F432-L678 HydrophobicContact CD1-CD1 3.24Å; F432-L678 HydrophobicContact CE1-CD1 3.68Å; F432-L678 HydrophobicContact CG-CD1 4.12Å
433F48.6Very low51.3Low33 Ų3359.6 Ų59.615%0.14533%0.333CS..  trans-127.2124.2-172.8-60.8-83.1000109.9S429 Q435 A442 L443 W446S429-F433 WeakPolarHBondContact O-CB 3.27Å; S429-F433 WeakPolarHBondContact O-CD2 3.25Å; S429-F433 PolarHBondContact O-N 3.38Å; F433-Q435 PolarHBondContact O-N 3.47Å; F433-Q435 VanDerWaalsContact O-N 3.16Å; F433-A442 HydrophobicContact CD1-CB 3.58Å; F433-A442 HydrophobicContact CE1-CB 3.51Å; F433-A442 HydrophobicContact CG-CB 4.31Å; F433-A442 HydrophobicContact CZ-CB 4.18Å; F433-L443 HydrophobicContact CE2-CD2 4.18Å; F433-L443 HydrophobicContact CZ-CD2 4.23Å; F433-L443 HydrophobicContact CZ-CG 4.5Å; F433-W446 HydrophobicContact CE1-CB 3.83Å; F433-W446 AromaticContact CE1-CD1 3.86Å; F433-W446 HydrophobicContact CE1-CG 4.12Å; F433-W446 HydrophobicContact CZ-CB 3.67Å; F433-W446 AromaticContact CZ-CD1 3.65Å; F433-W446 AromaticContact CZ-CG 3.72Å; F433-W446 HydrophobicContact CZ-CG 3.72Å
434P46.1Very low49.8Very low133 Ų13360 Ų6086%0.86434%0.338SS*.SBendtrans-67.4-13.1-179.123.8-31.6000114.1
435Q43.4Very low48.1Very low101 Ų10162.8 Ų62.847%0.47236%0.355SS..  trans-137.9123-178.2-68-170.3-1.900113.2F433 E437 Q438F433-Q435 PolarHBondContact O-N 3.47Å; F433-Q435 VanDerWaalsContact O-N 3.16Å; Q435-E437 PolarHBondContact O-N 3.13Å; Q435-Q438 VanDerWaalsContact OE1-NE2 3.09Å
436P40.9Very low46.9Very low100 Ų10063 Ų6365%0.64935%0.35SS*.SBendtrans-66.8-31.5-179.8-19.330.2000114.8Q438 C439P436-Q438 VanDerWaalsContact C-N 3.27Å; P436-Q438 PolarHBondContact O-N 3.48Å; P436-C439 VanDerWaalsContact CA-SG 3.57Å; P436-C439 WeakPolarHBondContact O-CB 3.19Å; P436-C439 PolarHBondContact O-N 2.86Å; P436-C439 VanDerWaalsContact O-N 3.13Å; P436-C439 PolarHBondContact O-SG 2.59Å
437E44.4Very low45.9Very low181 Ų18163.5 Ų63.585%0.84635%0.351SS*.THydrogen-bonded Turntrans-69.8-27.9-171.6-67.1175.5179.700112.2Q435 C439Q435-E437 PolarHBondContact O-N 3.13Å; E437-C439 VanDerWaalsContact C-N 3.3Å; E437-C439 PolarHBondContact O-N 2.9Å
438Q42.8Very low45.7Very low111 Ų11162 Ų6252%0.51935%0.346SS..THydrogen-bonded Turntrans-80.2-10.6176.7-62.7-179.7900112.1Q435 P436 S440 S441 A442Q435-Q438 VanDerWaalsContact OE1-NE2 3.09Å; P436-Q438 VanDerWaalsContact C-N 3.27Å; P436-Q438 PolarHBondContact O-N 3.48Å; Q438-S440 VanDerWaalsContact C-N 3.29Å; Q438-S440 PolarHBondContact O-N 3.05Å; Q438-S441 CarbonylContact O-C 3.37Å; Q438-S441 PolarHBondContact O-N 3.24Å; Q438-S441 PolarHBondContact O-OG 3.48Å; Q438-S441 VanDerWaalsContact O-OG 3.13Å; Q438-A442 HydrophobicContact CB-CB 4.46Å; Q438-A442 VanDerWaalsContact O-CB 3.28Å; Q438-A442 WeakPolarHBondContact O-CB 3.42Å; Q438-A442 PolarHBondContact O-N 2.66Å
439C41Very low45.7Very low3 Ų363.9 Ų63.92%0.0235%0.349CS..Hα-helixtrans-54.3-36.6-165.3-74.40000115.8V308 S429 P436 E437 S441 A442 L443V308-C439 HydrophobicContact CG1-CB 4.19Å; S429-C439 PolarHBondContact OG-SG 3.01Å; P436-C439 VanDerWaalsContact CA-SG 3.57Å; P436-C439 WeakPolarHBondContact O-CB 3.19Å; P436-C439 PolarHBondContact O-N 2.86Å; P436-C439 VanDerWaalsContact O-N 3.13Å; P436-C439 PolarHBondContact O-SG 2.59Å; E437-C439 VanDerWaalsContact C-N 3.3Å; E437-C439 PolarHBondContact O-N 2.9Å; C439-S441 VanDerWaalsContact C-N 3.33Å; C439-S441 PolarHBondContact O-N 2.71Å; C439-A442 PolarHBondContact O-N 2.94Å; C439-A442 VanDerWaalsContact O-N 3.13Å; C439-L443 PolarHBondContact O-N 2.77Å
440S42.7Very low45.9Very low43 Ų4364.2 Ų64.230%0.30135%0.349SS..Hα-helixtrans-64.3-36.5-17965.30000113Q438Q438-S440 VanDerWaalsContact C-N 3.29Å; Q438-S440 PolarHBondContact O-N 3.05Å
441S43.8Very low45.9Very low38 Ų3861.4 Ų61.427%0.26633%0.328SS..Hα-helixtrans-90.6-22.4168.969.70000111.7Q438 C439 L443 S444 T445Q438-S441 CarbonylContact O-C 3.37Å; Q438-S441 PolarHBondContact O-N 3.24Å; Q438-S441 PolarHBondContact O-OG 3.48Å; Q438-S441 VanDerWaalsContact O-OG 3.13Å; C439-S441 VanDerWaalsContact C-N 3.33Å; C439-S441 PolarHBondContact O-N 2.71Å; S441-L443 VanDerWaalsContact C-N 3.33Å; S441-L443 PolarHBondContact O-N 2.97Å; S441-S444 PolarHBondContact O-N 3.12Å; S441-S444 PolarHBondContact O-OG 3.01Å; S441-T445 VanDerWaalsContact O-CB 3.28Å; S441-T445 WeakPolarHBondContact O-CB 3.4Å; S441-T445 VanDerWaalsContact O-CG2 3.25Å; S441-T445 WeakPolarHBondContact O-CG2 3.31Å; S441-T445 PolarHBondContact O-N 3.18Å; S441-T445 PolarHBondContact O-OG1 3.44Å
442A42.2Very low45.8Very low7 Ų762.9 Ų62.96%0.05834%0.336CS..Hα-helixtrans-66.1-36-178.400000110.9F433 Q438 C439 T445 W446F433-A442 HydrophobicContact CD1-CB 3.58Å; F433-A442 HydrophobicContact CE1-CB 3.51Å; F433-A442 HydrophobicContact CG-CB 4.31Å; F433-A442 HydrophobicContact CZ-CB 4.18Å; Q438-A442 HydrophobicContact CB-CB 4.46Å; Q438-A442 VanDerWaalsContact O-CB 3.28Å; Q438-A442 WeakPolarHBondContact O-CB 3.42Å; Q438-A442 PolarHBondContact O-N 2.66Å; C439-A442 PolarHBondContact O-N 2.94Å; C439-A442 VanDerWaalsContact O-N 3.13Å; A442-T445 WeakPolarHBondContact CA-OG1 2.95Å; A442-T445 PolarHBondContact O-OG1 3.36Å; A442-W446 WeakPolarHBondContact O-CA 3.46Å; A442-W446 WeakPolarHBondContact O-CB 3.34Å; A442-W446 PolarHBondContact O-N 2.96Å
443L44.4Very low45.6Very low29 Ų2966.7 Ų66.715%0.15236%0.361CS..Hα-helixtrans-71.8-39.7176.8-77.6161000112.5D309 L423 F433 C439 S441 W446 W447D309-L443 WeakPolarHBondContact OD1-CD1 3.22Å; D309-L443 VanDerWaalsContact OD2-CD1 3.28Å; D309-L443 WeakPolarHBondContact OD2-CD1 3.44Å; L423-L443 HydrophobicContact CD1-CB 4.44Å; L423-L443 HydrophobicContact CD1-CD2 3.96Å; L423-L443 HydrophobicContact CD2-CD2 4.03Å; L423-L443 HydrophobicContact CG-CD2 4.46Å; F433-L443 HydrophobicContact CE2-CD2 4.18Å; F433-L443 HydrophobicContact CZ-CD2 4.23Å; F433-L443 HydrophobicContact CZ-CG 4.5Å; C439-L443 PolarHBondContact O-N 2.77Å; S441-L443 VanDerWaalsContact C-N 3.33Å; S441-L443 PolarHBondContact O-N 2.97Å; L443-W446 PolarHBondContact O-N 3.11Å; L443-W447 VanDerWaalsContact O-CB 3.28Å; L443-W447 WeakPolarHBondContact O-CB 3.48Å; L443-W447 PolarHBondContact O-N 3.19Å
444S47Very low45.7Very low33 Ų3365.8 Ų65.823%0.23136%0.359CS..Hα-helixtrans-69.2-40.5174.359.70000111.7S441 L448S441-S444 PolarHBondContact O-N 3.12Å; S441-S444 PolarHBondContact O-OG 3.01Å; S444-L448 WeakPolarHBondContact O-CB 3.23Å; S444-L448 PolarHBondContact O-N 3.07Å
445T46.2Very low46.2Very low62 Ų6264.3 Ų64.338%0.3834%0.344SS..Hα-helixtrans-72.4-30.2174.255.50000112.8S441 A442 L448 K449S441-T445 VanDerWaalsContact O-CB 3.28Å; S441-T445 WeakPolarHBondContact O-CB 3.4Å; S441-T445 VanDerWaalsContact O-CG2 3.25Å; S441-T445 WeakPolarHBondContact O-CG2 3.31Å; S441-T445 PolarHBondContact O-N 3.18Å; S441-T445 PolarHBondContact O-OG1 3.44Å; A442-T445 WeakPolarHBondContact CA-OG1 2.95Å; A442-T445 PolarHBondContact O-OG1 3.36Å; T445-L448 PolarHBondContact O-N 3.34Å; T445-K449 VanDerWaalsContact O-CB 3.25Å; T445-K449 WeakPolarHBondContact O-CB 3.4Å; T445-K449 VanDerWaalsContact O-CG 3.27Å; T445-K449 WeakPolarHBondContact O-CG 3.18Å; T445-K449 PolarHBondContact O-N 3.32Å
446W47Very low47.2Very low21 Ų2160.4 Ų60.48%0.0833%0.326CS..Hα-helixtrans-69.4-45.3171.8178.794.9000110.5L423 F433 A442 L443 L448 K449 D450 K674 L678L423-W446 HydrophobicContact CD2-CE3 3.52Å; L423-W446 HydrophobicContact CD2-CH2 3.91Å; L423-W446 HydrophobicContact CD2-CZ3 3.15Å; L423-W446 HydrophobicContact CG-CZ3 4.44Å; F433-W446 HydrophobicContact CE1-CB 3.83Å; F433-W446 AromaticContact CE1-CD1 3.86Å; F433-W446 HydrophobicContact CE1-CG 4.12Å; F433-W446 HydrophobicContact CZ-CB 3.67Å; F433-W446 AromaticContact CZ-CD1 3.65Å; F433-W446 AromaticContact CZ-CG 3.72Å; F433-W446 HydrophobicContact CZ-CG 3.72Å; A442-W446 WeakPolarHBondContact O-CA 3.46Å; A442-W446 WeakPolarHBondContact O-CB 3.34Å; A442-W446 PolarHBondContact O-N 2.96Å; L443-W446 PolarHBondContact O-N 3.11Å; W446-L448 VanDerWaalsContact C-N 3.26Å; W446-L448 PolarHBondContact O-N 2.85Å; W446-K449 PolarHBondContact O-N 3.09Å; W446-D450 VanDerWaalsContact O-CB 3.28Å; W446-D450 WeakPolarHBondContact O-CB 3.17Å; W446-D450 PolarHBondContact O-N 3.08Å; W446-K674 HydrophobicContact CH2-CD 4.27Å; W446-L678 HydrophobicContact CZ2-CD1 3.97Å; W446-L678 HydrophobicContact CZ2-CD2 3.92Å; W446-L678 HydrophobicContact CZ2-CG 4.07Å
447W50.4Low49.2Very low28 Ų2855.8 Ų55.811%0.10630%0.297CS..Hα-helixtrans-55.1-48.2171.4-178.2-96.4000109.8I415 Y419 E422 L443 V451 I564I415-W447 HydrophobicContact CG2-CH2 3.71Å; I415-W447 HydrophobicContact CG2-CZ2 4.28Å; Y419-W447 HydrophobicContact CD1-CZ2 4.39Å; Y419-W447 AromaticContact CD2-CZ2 3.66Å; Y419-W447 HydrophobicContact CD2-CZ2 3.66Å; Y419-W447 HydrophobicContact CG-CH2 4.12Å; Y419-W447 AromaticContact CG-CZ2 3.56Å; Y419-W447 HydrophobicContact CG-CZ2 3.56Å; E422-W447 HydrophobicContact CB-CH2 4.39Å; E422-W447 HydrophobicContact CB-CZ3 3.87Å; E422-W447 HydrophobicContact CG-CH2 4.25Å; E422-W447 HydrophobicContact CG-CZ3 4.23Å; L443-W447 VanDerWaalsContact O-CB 3.28Å; L443-W447 WeakPolarHBondContact O-CB 3.48Å; L443-W447 PolarHBondContact O-N 3.19Å; W447-V451 HydrophobicContact CD2-CG2 4.18Å; W447-V451 HydrophobicContact CG-CG2 4.39Å; W447-V451 HydrophobicContact CZ2-CG2 4.03Å; W447-V451 WeakPolarHBondContact O-CB 3.41Å; W447-V451 WeakPolarHBondContact O-CG2 3.5Å; W447-V451 PolarHBondContact O-N 3.1Å; W447-I564 HydrophobicContact CZ2-CD1 3.77Å
448L49.5Very low51.3Low56 Ų5647.2 Ų47.229%0.29326%0.257SS..Hα-helixtrans-64.9-42.9179.6-160.875.4000112.9P366 S444 T445 W446 N452P366-L448 HydrophobicContact CB-CD1 3.38Å; P366-L448 HydrophobicContact CB-CD2 3.31Å; P366-L448 HydrophobicContact CB-CG 3.95Å; P366-L448 HydrophobicContact CG-CD1 4.41Å; P366-L448 HydrophobicContact CG-CD2 3.37Å; P366-L448 HydrophobicContact CG-CG 4.5Å; S444-L448 WeakPolarHBondContact O-CB 3.23Å; S444-L448 PolarHBondContact O-N 3.07Å; T445-L448 PolarHBondContact O-N 3.34Å; W446-L448 VanDerWaalsContact C-N 3.26Å; W446-L448 PolarHBondContact O-N 2.85Å; L448-N452 VanDerWaalsContact O-CB 3.23Å; L448-N452 WeakPolarHBondContact O-CB 3.25Å; L448-N452 PolarHBondContact O-N 2.79Å; L448-N452 PolarHBondContact O-ND2 3.38Å
449K51.4Low53.7Low147 Ų14742.9 Ų42.964%0.63924%0.236SC*.Hα-helixtrans-67.4-45.9177.9-80.9179.1179.4178.50111.4T445 W446 N452 T453T445-K449 VanDerWaalsContact O-CB 3.25Å; T445-K449 WeakPolarHBondContact O-CB 3.4Å; T445-K449 VanDerWaalsContact O-CG 3.27Å; T445-K449 WeakPolarHBondContact O-CG 3.18Å; T445-K449 PolarHBondContact O-N 3.32Å; W446-K449 PolarHBondContact O-N 3.09Å; K449-N452 PolarHBondContact O-N 2.86Å; K449-T453 VanDerWaalsContact O-CB 3.25Å; K449-T453 WeakPolarHBondContact O-CB 3.37Å; K449-T453 VanDerWaalsContact O-CG2 3.24Å; K449-T453 WeakPolarHBondContact O-CG2 3.29Å; K449-T453 PolarHBondContact O-N 2.91Å; K449-T453 PolarHBondContact O-OG1 2.88Å
450D47.5Very low56.3Low32 Ų3242.8 Ų42.817%0.17124%0.235CC..Hα-helixtrans-67.3-40.6179.2-162.127.9000110.1W446 S454W446-D450 VanDerWaalsContact O-CB 3.28Å; W446-D450 WeakPolarHBondContact O-CB 3.17Å; W446-D450 PolarHBondContact O-N 3.08Å; D450-S454 VanDerWaalsContact O-CA 3.31Å; D450-S454 WeakPolarHBondContact O-CA 3.5Å; D450-S454 WeakPolarHBondContact O-CB 3.3Å; D450-S454 PolarHBondContact O-N 3.35Å; D450-S454 PolarHBondContact O-OG 2.96Å
451V46.8Very low58.8Low24 Ų2440.7 Ų40.715%0.14522%0.22CC..Hα-helixtrans-63-46.4174.2168.40000111.9W447 I564W447-V451 HydrophobicContact CD2-CG2 4.18Å; W447-V451 HydrophobicContact CG-CG2 4.39Å; W447-V451 HydrophobicContact CZ2-CG2 4.03Å; W447-V451 WeakPolarHBondContact O-CB 3.41Å; W447-V451 WeakPolarHBondContact O-CG2 3.5Å; W447-V451 PolarHBondContact O-N 3.1Å; V451-I564 HydrophobicContact CG1-CB 4.18Å; V451-I564 HydrophobicContact CG1-CG1 3.71Å; V451-I564 HydrophobicContact CG1-CG2 4.07Å; V451-I564 HydrophobicContact CG2-CG1 4.02Å; V451-I564 HydrophobicContact CG2-CG2 3.88Å
452N44.3Very low61.3Low116 Ų11639 Ų3962%0.6221%0.208SC*.Hα-helixtrans-74.5-31.1-177-71.3-8.2000113L448 K449L448-N452 VanDerWaalsContact O-CB 3.23Å; L448-N452 WeakPolarHBondContact O-CB 3.25Å; L448-N452 PolarHBondContact O-N 2.79Å; L448-N452 PolarHBondContact O-ND2 3.38Å; K449-N452 PolarHBondContact O-N 2.86Å
453T47.8Very low64Low103 Ų10338.7 Ų38.763%0.63221%0.206SC*.Hα-helixtrans-93-30.4-179.162.40000112.9K449 N455K449-T453 VanDerWaalsContact O-CB 3.25Å; K449-T453 WeakPolarHBondContact O-CB 3.37Å; K449-T453 VanDerWaalsContact O-CG2 3.24Å; K449-T453 WeakPolarHBondContact O-CG2 3.29Å; K449-T453 PolarHBondContact O-N 2.91Å; K449-T453 PolarHBondContact O-OG1 2.88Å; T453-N455 PolarHBondContact O-N 3.09Å
454S50.8Low66.5Low14 Ų1437.3 Ų37.310%0.09820%0.198CC..  trans-86.195.9174.582.60000109D450 N456D450-S454 VanDerWaalsContact O-CA 3.31Å; D450-S454 WeakPolarHBondContact O-CA 3.5Å; D450-S454 WeakPolarHBondContact O-CB 3.3Å; D450-S454 PolarHBondContact O-N 3.35Å; D450-S454 PolarHBondContact O-OG 2.96Å; S454-N456 PolarHBondContact O-N 2.6Å; S454-N456 PolarHBondContact OG-OD1 3.23Å
455N55.8Low68.9Low102 Ų10235.8 Ų35.855%0.54519%0.187SC..  trans-58.2100.9158.4-130.6-23.1000105.2T453 G457 S567 R701T453-N455 PolarHBondContact O-N 3.09Å; N455-G457 PolarHBondContact O-N 2.87Å; N455-S567 WeakPolarHBondContact OD1-CB 3.38Å; N455-R701 PolarHBondContact O-NH1 2.87Å; N455-R701 PolarHBondContact O-NH2 3.21Å
456N65.2Low71.4Confident19 Ų1932.8 Ų32.810%0.10217%0.169CC..  trans-69.118.5-162-96.4-48.3000114.5S454 G458 R459 I564S454-N456 PolarHBondContact O-N 2.6Å; S454-N456 PolarHBondContact OG-OD1 3.23Å; N456-G458 PolarHBondContact O-N 3.48Å; N456-R459 HydrophobicContact CB-CB 4.28Å; N456-R459 WeakPolarHBondContact O-CB 3.23Å; N456-R459 WeakPolarHBondContact O-CG 3.1Å; N456-R459 PolarHBondContact O-N 2.94Å; N456-I564 WeakPolarHBondContact CB-O 3.46Å; N456-I564 WeakPolarHBondContact ND2-CG2 3.26Å; N456-I564 PolarHBondContact ND2-O 2.85Å
457G82.7Confident73.9Confident3 Ų331.8 Ų31.83%0.03117%0.166CC..THydrogen-bonded Turntrans54.7-128.7-174.400000109.6N455 S567 E685N455-G457 PolarHBondContact O-N 2.87Å; G457-S567 WeakPolarHBondContact O-CB 3.42Å; G457-S567 PolarHBondContact O-N 3.37Å; G457-S567 PolarHBondContact O-OG 3.24Å; G457-E685 WeakPolarHBondContact CA-OE1 3.1Å
458G88Confident76.1Confident0 Ų030.5 Ų30.50%016%0.161CC..THydrogen-bonded Turntrans-91.713.917500000114.8Y412 N456 L574Y412-G458 VanDerWaalsContact CD1-CA 3.45Å; Y412-G458 VanDerWaalsContact CD1-N 3.28Å; N456-G458 PolarHBondContact O-N 3.48Å; G458-L574 WeakPolarHBondContact O-CD1 3.37Å
459R92.9Very high78.4Confident20 Ų2027.8 Ų27.88%0.07515%0.147CC..  trans-70.6137.3179.8-62.4179.971.1-155.33.3110.8P413 I415 E422 N456 G565 P566P413-R459 PolarHBondContact O-NE 2.9Å; I415-R459 HydrophobicContact CG1-CB 4.44Å; E422-R459 IonicContact OE1-NH2 2.84Å; E422-R459 IonicContact OE2-CZ 3.67Å; E422-R459 IonicContact OE2-NH2 3.63Å; E422-R459 PolarHBondContact OE2-NH2 3.32Å; N456-R459 HydrophobicContact CB-CB 4.28Å; N456-R459 WeakPolarHBondContact O-CB 3.23Å; N456-R459 WeakPolarHBondContact O-CG 3.1Å; N456-R459 PolarHBondContact O-N 2.94Å; R459-G565 CarbonylContact O-C 3.57Å; R459-G565 VanDerWaalsContact O-C 3.3Å; R459-G565 WeakPolarHBondContact O-CA 3.35Å; R459-P566 WeakPolarHBondContact O-CA 3.29Å
460M94.9Very high80.4Confident1 Ų120.9 Ų20.91%0.00512%0.117CC..  trans-125158.3178.9-55.1-170.960.700109.8V414 I415 A464 V465 L468 L548 P566 L574V414-M460 CarbonylContact C-O 3.55Å; V414-M460 WeakPolarHBondContact CA-O 3.06Å; I415-M460 PolarHBondContact N-O 3.17Å; M460-A464 HydrophobicContact CE-CB 4.26Å; M460-V465 HydrophobicContact CB-CG2 3.97Å; M460-V465 HydrophobicContact SD-CG2 4.48Å; M460-L468 HydrophobicContact CE-CD1 3.46Å; M460-L468 VanDerWaalsContact CE-CD1 3.46Å; M460-L468 HydrophobicContact SD-CD1 4.37Å; M460-L548 HydrophobicContact CE-CD1 3.79Å; M460-L548 HydrophobicContact CE-CD2 4.18Å; M460-P566 HydrophobicContact CG-CB 4.33Å; M460-P566 HydrophobicContact CG-CG 4.13Å; M460-P566 HydrophobicContact SD-CG 4.49Å; M460-L574 HydrophobicContact CG-CD1 4.49Å; M460-L574 HydrophobicContact SD-CD1 4.25Å
461T95.4Very high82.7Confident0 Ų022.2 Ų22.20%012%0.12CC..BIsolated β-bridgetrans-78.4150.2176.371.40000111.2I415 Y419 V463 A464 V465 W561 I564I415-T461 HydrophobicContact CB-CG2 4.3Å; I415-T461 HydrophobicContact CD1-CG2 4.24Å; Y419-T461 HydrophobicContact CE1-CG2 3.58Å; Y419-T461 VanDerWaalsContact OH-CG2 3.25Å; Y419-T461 WeakPolarHBondContact OH-CG2 3.28Å; T461-V463 PolarHBondContact O-N 3.38Å; T461-A464 PolarHBondContact O-N 2.75Å; T461-A464 VanDerWaalsContact OG1-CB 3.22Å; T461-A464 WeakPolarHBondContact OG1-CB 3.35Å; T461-A464 PolarHBondContact OG1-N 2.93Å; T461-A464 VanDerWaalsContact OG1-N 3.07Å; T461-V465 WeakPolarHBondContact O-CG2 3.46Å; T461-V465 PolarHBondContact O-N 3.46Å; T461-W561 VanDerWaalsContact CG2-O 3.27Å; T461-W561 WeakPolarHBondContact CG2-O 3.03Å; T461-W561 PolarHBondContact OG1-O 3.45Å; T461-I564 HydrophobicContact CG2-CD1 4.39Å
462E97.4Very high84.9Confident3 Ų321.6 Ų21.61%0.01412%0.117CC..Hα-helixtrans-55.9-39.4175.7-79.9-160.5117.800112.2S217 K404 V414 I415 C417 V465 E466S217-E462 VanDerWaalsContact CB-OE2 3.23Å; S217-E462 WeakPolarHBondContact CB-OE2 3.26Å; S217-E462 VanDerWaalsContact OG-CD 3.32Å; S217-E462 PolarHBondContact OG-OE1 2.96Å; S217-E462 VanDerWaalsContact OG-OE1 3.12Å; S217-E462 PolarHBondContact OG-OE2 3.37Å; K404-E462 HydrophobicContact CD-CG 4.24Å; K404-E462 WeakPolarHBondContact CE-OE1 3.41Å; K404-E462 IonicContact NZ-OE1 3.06Å; K404-E462 PolarHBondContact NZ-OE1 3.28Å; V414-E462 HydrophobicContact CB-CG 4.18Å; V414-E462 HydrophobicContact CG2-CG 3.7Å; I415-E462 WeakPolarHBondContact O-CG 3.48Å; I415-E462 PolarHBondContact O-N 2.85Å; C417-E462 HydrophobicContact CB-CB 4.04Å; C417-E462 WeakPolarHBondContact CB-OE2 3.28Å; C417-E462 PolarHBondContact N-OE2 3.49Å; E462-V465 PolarHBondContact O-N 3.05Å; E462-E466 VanDerWaalsContact O-CG 3.26Å; E462-E466 WeakPolarHBondContact O-CG 3.3Å; E462-E466 PolarHBondContact O-N 3.05Å
463V97.7Very high87.1Confident0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-64.8-46.2178.1175.40000111.3L378 L381 C417 T461 V465 E466 L467 W561L378-V463 HydrophobicContact CD1-CG2 4.29Å; L381-V463 HydrophobicContact CD2-CG1 3.35Å; L381-V463 HydrophobicContact CG-CG1 4.37Å; C417-V463 HydrophobicContact CB-CG2 4.3Å; T461-V463 PolarHBondContact O-N 3.38Å; V463-V465 VanDerWaalsContact C-N 3.32Å; V463-V465 PolarHBondContact O-N 2.67Å; V463-E466 PolarHBondContact O-N 3.17Å; V463-L467 HydrophobicContact CG1-CD1 4.07Å; V463-L467 HydrophobicContact CG1-CG 4.46Å; V463-L467 WeakPolarHBondContact O-CG 3.41Å; V463-L467 PolarHBondContact O-N 3.08Å; V463-W561 HydrophobicContact CB-CB 4.45Å; V463-W561 HydrophobicContact CB-CD2 4.04Å; V463-W561 HydrophobicContact CB-CE3 3.86Å; V463-W561 HydrophobicContact CB-CG 4.26Å; V463-W561 HydrophobicContact CG1-CB 4.12Å; V463-W561 HydrophobicContact CG1-CD2 3.54Å; V463-W561 HydrophobicContact CG1-CE3 3.86Å; V463-W561 HydrophobicContact CG1-CG 3.6Å; V463-W561 HydrophobicContact CG2-CD2 4.49Å; V463-W561 HydrophobicContact CG2-CE3 3.98Å; V463-W561 HydrophobicContact CG2-CZ3 4.23Å
464A97.7Very high88.9Confident0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-58.8-44.4175.900000111.4M460 T461 E466 L467 L468 I550 T562M460-A464 HydrophobicContact CE-CB 4.26Å; T461-A464 PolarHBondContact O-N 2.75Å; T461-A464 VanDerWaalsContact OG1-CB 3.22Å; T461-A464 WeakPolarHBondContact OG1-CB 3.35Å; T461-A464 PolarHBondContact OG1-N 2.93Å; T461-A464 VanDerWaalsContact OG1-N 3.07Å; A464-E466 VanDerWaalsContact C-N 3.32Å; A464-E466 PolarHBondContact O-N 2.91Å; A464-L467 PolarHBondContact O-N 3.17Å; A464-L468 VanDerWaalsContact O-CG 3.28Å; A464-L468 WeakPolarHBondContact O-CG 3.14Å; A464-L468 PolarHBondContact O-N 3.22Å; A464-I550 HydrophobicContact CB-CD1 3.94Å; A464-T562 HydrophobicContact CB-CG2 4.41Å
465V98.6Very high90.6Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-62.3-40.3177.3176.10000111.7A403 K404 L407 V414 M460 T461 E462 V463 L468 V469 F501A403-V465 HydrophobicContact CB-CG1 3.7Å; K404-V465 HydrophobicContact CG-CB 4.44Å; K404-V465 HydrophobicContact CG-CG1 3.91Å; L407-V465 HydrophobicContact CD1-CG1 4.43Å; L407-V465 HydrophobicContact CD1-CG2 3.53Å; V414-V465 HydrophobicContact CG1-CG2 3.93Å; M460-V465 HydrophobicContact CB-CG2 3.97Å; M460-V465 HydrophobicContact SD-CG2 4.48Å; T461-V465 WeakPolarHBondContact O-CG2 3.46Å; T461-V465 PolarHBondContact O-N 3.46Å; E462-V465 PolarHBondContact O-N 3.05Å; V463-V465 VanDerWaalsContact C-N 3.32Å; V463-V465 PolarHBondContact O-N 2.67Å; V465-L468 PolarHBondContact O-N 3.28Å; V465-V469 WeakPolarHBondContact O-CG2 3.39Å; V465-V469 PolarHBondContact O-N 3.03Å; V465-F501 HydrophobicContact CG1-CE2 4.28Å; V465-F501 HydrophobicContact CG1-CZ 4.41Å
466E98.4Very high91.8Very high0 Ų014.3 Ų14.30%07%0.067CC..Hα-helixtrans-64.7-42.3176.6-73.4171.8-15500112.4R220 T222 L385 F396 C400 K404 E462 V463 A464 V469 L470R220-E466 IonicContact CZ-OE1 3.25Å; R220-E466 IonicContact CZ-OE2 3Å; R220-E466 IonicContact NE-OE2 3.89Å; R220-E466 IonicContact NH1-OE1 3.36Å; R220-E466 IonicContact NH1-OE2 2.76Å; R220-E466 PolarHBondContact NH1-OE2 3.04Å; T222-E466 VanDerWaalsContact CB-OE1 3.27Å; T222-E466 WeakPolarHBondContact CB-OE1 3.11Å; T222-E466 HydrophobicContact CG2-CG 4.08Å; T222-E466 VanDerWaalsContact OG1-CD 3.26Å; T222-E466 PolarHBondContact OG1-OE1 2.91Å; L385-E466 HydrophobicContact CD1-CB 4.4Å; F396-E466 WeakPolarHBondContact CE2-O 3.41Å; F396-E466 HydrophobicContact CZ-CB 4.16Å; C400-E466 HydrophobicContact CB-CG 4.28Å; K404-E466 IonicContact NZ-OE1 3.93Å; K404-E466 PolarHBondContact NZ-OE1 3.47Å; E462-E466 VanDerWaalsContact O-CG 3.26Å; E462-E466 WeakPolarHBondContact O-CG 3.3Å; E462-E466 PolarHBondContact O-N 3.05Å; V463-E466 PolarHBondContact O-N 3.17Å; A464-E466 VanDerWaalsContact C-N 3.32Å; A464-E466 PolarHBondContact O-N 2.91Å; E466-V469 PolarHBondContact O-N 3.27Å; E466-L470 WeakPolarHBondContact O-CB 3.43Å; E466-L470 PolarHBondContact O-N 3.43Å
467L98Very high92Very high0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-65.3-39.8175.2-69.1171.6000112L381 L385 V463 A464 V469 L470 Y471 V517 L519 I550 T552L381-L467 HydrophobicContact CD1-CD2 4.38Å; L385-L467 HydrophobicContact CD2-CD2 4.28Å; V463-L467 HydrophobicContact CG1-CD1 4.07Å; V463-L467 HydrophobicContact CG1-CG 4.46Å; V463-L467 WeakPolarHBondContact O-CG 3.41Å; V463-L467 PolarHBondContact O-N 3.08Å; A464-L467 PolarHBondContact O-N 3.17Å; L467-V469 PolarHBondContact O-N 3.17Å; L467-L470 WeakPolarHBondContact O-CB 3.45Å; L467-L470 PolarHBondContact O-N 3.29Å; L467-Y471 PolarHBondContact O-N 3.09Å; L467-V517 HydrophobicContact CB-CG2 4.48Å; L467-V517 HydrophobicContact CD2-CG1 4.03Å; L467-L519 HydrophobicContact CD2-CD1 4.45Å; L467-L519 HydrophobicContact CD2-CD2 4.28Å; L467-I550 HydrophobicContact CB-CD1 4.39Å; L467-I550 HydrophobicContact CB-CG2 4.01Å; L467-I550 HydrophobicContact CD1-CG2 3.94Å; L467-T552 HydrophobicContact CD1-CG2 3.95Å; L467-T552 HydrophobicContact CD2-CG2 4.09Å
468L97.6Very high91.2Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-62.2-42.4173.9-71.9-176.6000112.2M460 A464 V465 A472 F501 L504 L505 W510 L515 L548 I550M460-L468 HydrophobicContact CE-CD1 3.46Å; M460-L468 VanDerWaalsContact CE-CD1 3.46Å; M460-L468 HydrophobicContact SD-CD1 4.37Å; A464-L468 VanDerWaalsContact O-CG 3.28Å; A464-L468 WeakPolarHBondContact O-CG 3.14Å; A464-L468 PolarHBondContact O-N 3.22Å; V465-L468 PolarHBondContact O-N 3.28Å; L468-A472 WeakPolarHBondContact O-CB 3.28Å; L468-A472 PolarHBondContact O-N 3.41Å; L468-F501 HydrophobicContact CB-CD2 4.05Å; L468-F501 HydrophobicContact CB-CE2 3.99Å; L468-F501 HydrophobicContact CD1-CE2 4Å; L468-L504 HydrophobicContact CB-CD2 4.39Å; L468-L504 HydrophobicContact CD2-CD2 3.94Å; L468-L505 HydrophobicContact CD1-CD2 3.78Å; L468-W510 HydrophobicContact CD2-CH2 3.58Å; L468-W510 HydrophobicContact CD2-CZ3 4.19Å; L468-L515 HydrophobicContact CD2-CD2 3.42Å; L468-L515 VanDerWaalsContact CD2-CD2 3.42Å; L468-L548 HydrophobicContact CD1-CD1 4.34Å; L468-I550 HydrophobicContact CD2-CD1 3.79Å; L468-I550 HydrophobicContact CD2-CG1 4.29Å; L468-I550 HydrophobicContact CG-CD1 3.86Å
469V97.1Very high90Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-67.2-41.2177.2170.50000110.7F396 A399 A403 V465 E466 L467 Y471 A472 S473 F501F396-V469 HydrophobicContact CD2-CG1 4.11Å; F396-V469 HydrophobicContact CE2-CG1 4.31Å; A399-V469 HydrophobicContact CB-CG1 3.64Å; A403-V469 HydrophobicContact CB-CG2 3.99Å; V465-V469 WeakPolarHBondContact O-CG2 3.39Å; V465-V469 PolarHBondContact O-N 3.03Å; E466-V469 PolarHBondContact O-N 3.27Å; L467-V469 PolarHBondContact O-N 3.17Å; V469-Y471 PolarHBondContact O-N 3.45Å; V469-A472 PolarHBondContact O-N 2.77Å; V469-S473 VanDerWaalsContact O-CB 3.24Å; V469-S473 WeakPolarHBondContact O-CB 3.43Å; V469-S473 PolarHBondContact O-N 3.24Å; V469-S473 PolarHBondContact O-OG 3.08Å; V469-F501 HydrophobicContact CG2-CB 4.26Å; V469-F501 HydrophobicContact CG2-CD2 3.75Å; V469-F501 HydrophobicContact CG2-CE2 4.38Å; V469-F501 HydrophobicContact CG2-CG 4.11Å
470L94.9Very high88.4Confident2 Ų224.6 Ų24.61%0.0113%0.128CC..Hα-helixtrans-55.8-49.9175.1178.352.9000111.3L385 V388 F396 E466 L467 S473 K474 L475 C476 V517 L519L385-L470 HydrophobicContact CD2-CD2 4.24Å; V388-L470 HydrophobicContact CG1-CD1 3.74Å; V388-L470 HydrophobicContact CG2-CD1 4.46Å; V388-L470 HydrophobicContact CG2-CD2 4.47Å; F396-L470 HydrophobicContact CE2-CB 3.89Å; E466-L470 WeakPolarHBondContact O-CB 3.43Å; E466-L470 PolarHBondContact O-N 3.43Å; L467-L470 WeakPolarHBondContact O-CB 3.45Å; L467-L470 PolarHBondContact O-N 3.29Å; L470-S473 PolarHBondContact O-OG 2.79Å; L470-S473 VanDerWaalsContact O-OG 3.06Å; L470-K474 PolarHBondContact O-N 2.99Å; L470-L475 HydrophobicContact CD1-CB 3.68Å; L470-L475 PolarHBondContact O-N 2.76Å; L470-C476 HydrophobicContact CD1-CB 4.21Å; L470-C476 HydrophobicContact CG-CB 4.15Å; L470-V517 HydrophobicContact CD2-CG1 4.05Å; L470-V517 HydrophobicContact CG-CG1 4.33Å; L470-L519 HydrophobicContact CD2-CD2 3.56Å
471Y93.8Very high86.3Confident60 Ų6027.4 Ų27.424%0.23515%0.148CC..Hα-helixtrans-64.4-51.6176.3-175.7-87.4000112.5L467 V469 S473 K474 L504 L515 L516 V517L467-Y471 PolarHBondContact O-N 3.09Å; V469-Y471 PolarHBondContact O-N 3.45Å; Y471-S473 PolarHBondContact O-N 3.48Å; Y471-K474 PolarHBondContact O-N 2.92Å; Y471-L504 HydrophobicContact CD1-CD1 3.86Å; Y471-L504 HydrophobicContact CD1-CD2 3.83Å; Y471-L504 HydrophobicContact CE1-CD1 3.77Å; Y471-L515 HydrophobicContact CD1-CD1 3.75Å; Y471-L515 HydrophobicContact CD1-CD2 4.32Å; Y471-L515 HydrophobicContact CD1-CG 4.42Å; Y471-L515 HydrophobicContact CD2-CD1 4.1Å; Y471-L515 HydrophobicContact CD2-CG 4.22Å; Y471-L515 HydrophobicContact CE1-CD1 3.56Å; Y471-L515 HydrophobicContact CE2-CD1 3.92Å; Y471-L515 HydrophobicContact CE2-CG 4.4Å; Y471-L515 HydrophobicContact CG-CD1 4.01Å; Y471-L515 HydrophobicContact CG-CD2 4.1Å; Y471-L515 HydrophobicContact CG-CG 4.23Å; Y471-L516 WeakPolarHBondContact CE2-O 3.31Å; Y471-V517 HydrophobicContact CD2-CG2 4.23Å; Y471-V517 HydrophobicContact CG-CG2 4.5Å
472A93.1Very high83.9Confident10 Ų1036.8 Ų36.88%0.08319%0.192CC..Hα-helixtrans-60.4-34-176.900000112.7L468 V469 K474 R500 F501 L504L468-A472 WeakPolarHBondContact O-CB 3.28Å; L468-A472 PolarHBondContact O-N 3.41Å; V469-A472 PolarHBondContact O-N 2.77Å; A472-K474 VanDerWaalsContact C-N 3.26Å; A472-K474 PolarHBondContact O-N 3Å; A472-R500 HydrophobicContact CB-CB 4.12Å; A472-R500 WeakPolarHBondContact O-CB 3.45Å; A472-R500 WeakPolarHBondContact O-CD 2.98Å; A472-F501 HydrophobicContact CB-CB 4.34Å; A472-L504 HydrophobicContact CB-CB 4.24Å; A472-L504 HydrophobicContact CB-CD2 3.96Å
473S90.4Very high81.3Confident1 Ų139.5 Ų39.51%0.00721%0.211CC..THydrogen-bonded Turntrans-80.2-3.6177.959.40000113.9V469 L470 Y471 L475 I491V469-S473 VanDerWaalsContact O-CB 3.24Å; V469-S473 WeakPolarHBondContact O-CB 3.43Å; V469-S473 PolarHBondContact O-N 3.24Å; V469-S473 PolarHBondContact O-OG 3.08Å; L470-S473 PolarHBondContact O-OG 2.79Å; L470-S473 VanDerWaalsContact O-OG 3.06Å; Y471-S473 PolarHBondContact O-N 3.48Å; S473-L475 PolarHBondContact O-N 2.94Å; S473-L475 VanDerWaalsContact OG-CD1 3.3Å; S473-L475 WeakPolarHBondContact OG-CD1 3.34Å; S473-L475 VanDerWaalsContact OG-CG 3.24Å; S473-L475 WeakPolarHBondContact OG-CG 3.37Å; S473-I491 VanDerWaalsContact O-CD1 3.31Å; S473-I491 WeakPolarHBondContact O-CD1 3.36Å
474K87Confident78.5Confident143 Ų14349.2 Ų49.262%0.62225%0.253SS*.THydrogen-bonded Turntrans51.537-174.8-58.6-169.1172.6-162.90112.3L470 Y471 A472L470-K474 PolarHBondContact O-N 2.99Å; Y471-K474 PolarHBondContact O-N 2.92Å; A472-K474 VanDerWaalsContact C-N 3.26Å; A472-K474 PolarHBondContact O-N 3Å
475L85.6Confident75.7Confident18 Ų1857.1 Ų57.19%0.09429%0.291CS..  trans-87.8-11.2175.1-67.2177.9000111.9Y392 F396 L470 S473Y392-L475 HydrophobicContact CD1-CD2 3.71Å; Y392-L475 HydrophobicContact CD2-CB 4.15Å; Y392-L475 HydrophobicContact CD2-CD1 3.96Å; Y392-L475 HydrophobicContact CD2-CD2 4Å; Y392-L475 HydrophobicContact CD2-CG 4.26Å; Y392-L475 HydrophobicContact CE1-CD2 3.8Å; Y392-L475 HydrophobicContact CE2-CB 4.07Å; Y392-L475 HydrophobicContact CE2-CD2 4.05Å; Y392-L475 HydrophobicContact CE2-CG 4.47Å; Y392-L475 HydrophobicContact CG-CD1 3.92Å; Y392-L475 HydrophobicContact CG-CD2 3.8Å; Y392-L475 HydrophobicContact CG-CG 4.36Å; F396-L475 HydrophobicContact CB-CD1 3.9Å; F396-L475 HydrophobicContact CD2-CD1 4.41Å; L470-L475 HydrophobicContact CD1-CB 3.68Å; L470-L475 PolarHBondContact O-N 2.76Å; S473-L475 PolarHBondContact O-N 2.94Å; S473-L475 VanDerWaalsContact OG-CD1 3.3Å; S473-L475 WeakPolarHBondContact OG-CD1 3.34Å; S473-L475 VanDerWaalsContact OG-CG 3.24Å; S473-L475 WeakPolarHBondContact OG-CG 3.37Å
476C81.3Confident72.8Confident20 Ų2060.1 Ų60.114%0.13532%0.315CS..SBendtrans-105.4152.516259.80000110.1L470 D518L470-C476 HydrophobicContact CD1-CB 4.21Å; L470-C476 HydrophobicContact CG-CB 4.15Å; C476-D518 WeakPolarHBondContact CB-O 3.43Å
477D69.6Low70Confident68 Ų6867 Ų6736%0.36435%0.352SS..  trans-63.7144.1178.9-64-50.6000111.6V479D477-V479 PolarHBondContact O-N 3.03Å
478S66.3Low67.4Low57 Ų5773.1 Ų73.140%0.39938%0.384SS..  trans-83116.2178-171.50000109.3D480 S481S478-D480 PolarHBondContact O-N 2.83Å; S478-S481 PolarHBondContact O-N 2.76Å; S478-S481 PolarHBondContact OG-OG 2.76Å
479V61.6Low65.3Low19 Ų1975.4 Ų75.412%0.11540%0.398CS..THydrogen-bonded Turntrans-66.4-26.2-175.6-151.50000112.7D477 L516 D518 F523 R530D477-V479 PolarHBondContact O-N 3.03Å; V479-L516 HydrophobicContact CG2-CB 4.23Å; V479-D518 HydrophobicContact CG2-CB 4.05Å; V479-F523 HydrophobicContact CG1-CB 4.03Å; V479-R530 VanDerWaalsContact CG1-CD 3.49Å; V479-R530 HydrophobicContact CG1-CG 4.18Å; V479-R530 VanDerWaalsContact O-CZ 3.24Å; V479-R530 PolarHBondContact O-NH1 3.04Å; V479-R530 PolarHBondContact O-NH2 3.03Å; V479-R530 VanDerWaalsContact O-NH2 3.07Å
480D60.1Low63.5Low115 Ų11578.6 Ų78.662%0.61542%0.421SS*.THydrogen-bonded Turntrans-88.4-12.8-177.1-61.5-32.4000113.6S478 E482 R530S478-D480 PolarHBondContact O-N 2.83Å; D480-E482 PolarHBondContact O-N 2.86Å; D480-E482 VanDerWaalsContact O-N 3.16Å; D480-R530 IonicContact OD1-CZ 3.93Å; D480-R530 IonicContact OD1-NH2 2.77Å; D480-R530 PolarHBondContact OD1-NH2 2.9Å
481S50.6Low62.2Low59 Ų5978.8 Ų78.841%0.41342%0.421SS..  trans-85.292-176.1-62.10000111.6S478 S483S478-S481 PolarHBondContact O-N 2.76Å; S478-S481 PolarHBondContact OG-OG 2.76Å; S481-S483 PolarHBondContact O-N 2.78Å
482E44.8Very low61.4Low197 Ų19776.2 Ų76.292%0.92141%0.413SS*.  trans-61.1-25.2155.9-73.3-172170.700111D480 K484D480-E482 PolarHBondContact O-N 2.86Å; D480-E482 VanDerWaalsContact O-N 3.16Å; E482-K484 PolarHBondContact O-N 2.77Å
483S42.1Very low61.2Low61 Ų6176 Ų7643%0.42741%0.411SS..  trans-67.897.8167.452.60000109.3S481 E485S481-S483 PolarHBondContact O-N 2.78Å; S483-E485 PolarHBondContact O-N 2.98Å
484K40.8Very low61.3Low203 Ų20376.2 Ų76.288%0.88341%0.412SS*.  trans-59.941.6143.4-62.2-177.5179.8179.50110.6E482 A486E482-K484 PolarHBondContact O-N 2.77Å; K484-A486 PolarHBondContact O-N 2.86Å
485E37.4Very low61.6Low167 Ų16769.6 Ų69.678%0.7838%0.384SS*.  trans-56.397.1154.6-91-173.2-178.700103.2S483 N487S483-E485 PolarHBondContact O-N 2.98Å; E485-N487 PolarHBondContact O-N 2.72Å
486A37.7Very low62Low63 Ų6368.8 Ų68.852%0.52138%0.38SS..  trans-38136.4-168.500000108.2K484 L488K484-A486 PolarHBondContact O-N 2.86Å; A486-L488 HydrophobicContact CB-CD1 3.95Å; A486-L488 WeakPolarHBondContact O-CA 3.44Å; A486-L488 WeakPolarHBondContact O-CB 3.28Å; A486-L488 PolarHBondContact O-N 2.87Å
487N40.1Very low62.6Low143 Ų14367.9 Ų67.977%0.76537%0.374SS*.  trans-40.166.3168.3-73.7-27.2000112E485 T489E485-N487 PolarHBondContact O-N 2.72Å; N487-T489 PolarHBondContact O-N 2.85Å
488L43.4Very low63.9Low130 Ų13064.6 Ų64.668%0.68136%0.356SS*.  trans-81.686.5-170.5-123.493000102.3A486A486-L488 HydrophobicContact CB-CD1 3.95Å; A486-L488 WeakPolarHBondContact O-CA 3.44Å; A486-L488 WeakPolarHBondContact O-CB 3.28Å; A486-L488 PolarHBondContact O-N 2.87Å
489T53.9Low65.4Low48 Ų4861.9 Ų61.929%0.29434%0.338SS..  trans79.891.8168.879.40000113.2F6 K78 N487 I491F6-T489 HydrophobicContact CE2-CG2 3.82Å; F6-T489 WeakPolarHBondContact CE2-OG1 3.44Å; F6-T489 HydrophobicContact CZ-CG2 3.6Å; K78-T489 WeakPolarHBondContact CE-OG1 3.4Å; K78-T489 PolarHBondContact NZ-OG1 2.92Å; N487-T489 PolarHBondContact O-N 2.85Å; T489-I491 PolarHBondContact O-N 2.85Å
490S59.4Low67Low67 Ų6762.8 Ų62.847%0.46934%0.339SS..  trans-37.3125.5144.3174.60000108.2
491I68.2Low68.8Low5 Ų557.3 Ų57.33%0.02631%0.309CS..  trans-75.5131.7-173-63.1174.3000108V395 S473 T489 A496V395-I491 VanDerWaalsContact CG2-O 3.29Å; V395-I491 WeakPolarHBondContact CG2-O 3.36Å; S473-I491 VanDerWaalsContact O-CD1 3.31Å; S473-I491 WeakPolarHBondContact O-CD1 3.36Å; T489-I491 PolarHBondContact O-N 2.85Å; I491-A496 HydrophobicContact CG2-CB 4.06Å
492G75.5Confident71Confident7 Ų754.5 Ų54.57%0.07229%0.29CS..  trans-101.3-6.5176.300000114.2D8 H394 V395D8-G492 VanDerWaalsContact OD1-C 3.28Å; D8-G492 WeakPolarHBondContact OD1-CA 3.37Å; D8-G492 PolarHBondContact OD1-N 2.77Å; H394-G492 PolarHBondContact CD2-O 3.27Å; V395-G492 VanDerWaalsContact CG2-O 3.29Å; V395-G492 WeakPolarHBondContact CG2-O 3.26Å
493S89Confident73.5Confident5 Ų547.7 Ų47.74%0.03526%0.26CS..  trans-106.2119.2-177.5175.50000114.2D8 V495 A496 A497D8-S493 PolarHBondContact OD1-N 3.13Å; D8-S493 VanDerWaalsContact OD1-N 3.08Å; S493-V495 PolarHBondContact O-N 2.87Å; S493-V495 PolarHBondContact OG-N 2.92Å; S493-A496 PolarHBondContact O-N 3.21Å; S493-A496 PolarHBondContact OG-N 2.97Å; S493-A497 PolarHBondContact O-N 2.88Å
494P92.7Very high76.1Confident5 Ų545.5 Ų45.53%0.03224%0.243CC..Hα-helixtrans-57.2-33.3169-23.131.2000114H394 I398 A497 F498H394-P494 VanDerWaalsContact O-CG 3.29Å; H394-P494 WeakPolarHBondContact O-CG 3.41Å; I398-P494 HydrophobicContact CB-CB 3.83Å; I398-P494 HydrophobicContact CB-CG 3.89Å; I398-P494 HydrophobicContact CD1-CG 3.97Å; I398-P494 HydrophobicContact CG1-CG 4.5Å; I398-P494 HydrophobicContact CG2-CB 3.44Å; I398-P494 VanDerWaalsContact CG2-CB 3.44Å; I398-P494 HydrophobicContact CG2-CG 3.76Å; P494-A497 PolarHBondContact O-N 3.46Å; P494-F498 WeakPolarHBondContact O-CB 3.48Å; P494-F498 PolarHBondContact O-N 3.06Å
495V94.2Very high78.9Confident4 Ų435.9 Ų35.92%0.02420%0.201CC..Hα-helixtrans-65.5-44.8178.3173.80000110.5P161 R163 L164 S493 F498 L499 L589P161-V495 WeakPolarHBondContact O-CG2 3.27Å; R163-V495 HydrophobicContact CB-CG2 4.37Å; L164-V495 HydrophobicContact CD1-CG1 4.44Å; L164-V495 HydrophobicContact CD1-CG2 4.04Å; L164-V495 HydrophobicContact CG-CG2 3.98Å; S493-V495 PolarHBondContact O-N 2.87Å; S493-V495 PolarHBondContact OG-N 2.92Å; V495-F498 PolarHBondContact O-N 3.11Å; V495-L499 HydrophobicContact CG1-CD1 4.26Å; V495-L499 WeakPolarHBondContact O-CG 3.48Å; V495-L499 PolarHBondContact O-N 3.34Å; V495-L589 HydrophobicContact CG1-CD1 3.46Å; V495-L589 VanDerWaalsContact CG1-CD1 3.46Å
496A93.2Very high81.7Confident1 Ų128.8 Ų28.81%0.00817%0.171CC..Hα-helixtrans-63.8-44.7176.500000110.9I491 S493 F498 L499 R500I491-A496 HydrophobicContact CG2-CB 4.06Å; S493-A496 PolarHBondContact O-N 3.21Å; S493-A496 PolarHBondContact OG-N 2.97Å; A496-F498 VanDerWaalsContact C-N 3.35Å; A496-F498 PolarHBondContact O-N 3.49Å; A496-L499 PolarHBondContact O-N 3.33Å; A496-R500 WeakPolarHBondContact O-CG 3.36Å; A496-R500 PolarHBondContact O-N 3.42Å
497A94.4Very high84.6Confident1 Ų129.7 Ų29.71%0.00817%0.171CC..Hα-helixtrans-60.2-42.1175.900000112.4V395 A399 S493 P494 R500 F501V395-A497 HydrophobicContact CG1-CB 3.69Å; A399-A497 HydrophobicContact CB-CB 3.65Å; S493-A497 PolarHBondContact O-N 2.88Å; P494-A497 PolarHBondContact O-N 3.46Å; A497-R500 PolarHBondContact O-N 2.95Å; A497-F501 PolarHBondContact O-N 2.96Å
498F97.5Very high87.2Confident0 Ų025 Ų250%014%0.142CC..Hα-helixtrans-66.5-41.1176.4179.2-123.9000112.6L164 L402 A403 W406 P494 V495 A496 R500 F501 L502 L585 I601L164-F498 HydrophobicContact CD1-CD1 3.79Å; L164-F498 HydrophobicContact CD1-CE1 4.32Å; L402-F498 HydrophobicContact CB-CB 4.35Å; L402-F498 HydrophobicContact CB-CD1 4.39Å; L402-F498 HydrophobicContact CB-CD2 3.84Å; L402-F498 HydrophobicContact CB-CE2 4.26Å; L402-F498 HydrophobicContact CB-CG 3.93Å; L402-F498 HydrophobicContact CD1-CB 4.17Å; L402-F498 HydrophobicContact CD1-CG 4.37Å; A403-F498 HydrophobicContact CB-CD2 4.44Å; W406-F498 HydrophobicContact CB-CE2 3.99Å; W406-F498 HydrophobicContact CB-CZ 3.74Å; W406-F498 HydrophobicContact CG-CE2 4.35Å; W406-F498 AromaticContact CG-CZ 3.9Å; W406-F498 HydrophobicContact CG-CZ 3.9Å; P494-F498 WeakPolarHBondContact O-CB 3.48Å; P494-F498 PolarHBondContact O-N 3.06Å; V495-F498 PolarHBondContact O-N 3.11Å; A496-F498 VanDerWaalsContact C-N 3.35Å; A496-F498 PolarHBondContact O-N 3.49Å; F498-R500 VanDerWaalsContact C-N 3.33Å; F498-R500 PolarHBondContact O-N 3.15Å; F498-F501 HydrophobicContact CD2-CD1 4.15Å; F498-F501 HydrophobicContact CE2-CD1 4.15Å; F498-F501 WeakPolarHBondContact O-CB 3.26Å; F498-F501 PolarHBondContact O-N 3.14Å; F498-L502 HydrophobicContact CD1-CD1 4.47Å; F498-L502 HydrophobicContact CE1-CD1 3.98Å; F498-L502 HydrophobicContact CE2-CD1 4.37Å; F498-L502 HydrophobicContact CE2-CD2 4.17Å; F498-L502 HydrophobicContact CE2-CG 4.15Å; F498-L502 HydrophobicContact CZ-CD1 3.91Å; F498-L502 HydrophobicContact CZ-CD2 4.21Å; F498-L502 HydrophobicContact CZ-CG 4.17Å; F498-L502 WeakPolarHBondContact O-CG 3.42Å; F498-L502 PolarHBondContact O-N 2.67Å; F498-L585 HydrophobicContact CD1-CD2 3.88Å; F498-L585 HydrophobicContact CE1-CD2 3.8Å; F498-I601 HydrophobicContact CE1-CD1 4.23Å
499L96.3Very high89.7Confident0 Ų022.3 Ų22.30%013%0.129CC..Hα-helixtrans-62-40173.8-77.3170000112.1V4 Y5 V495 A496 L502 D503 R582 L585 L589V4-L499 HydrophobicContact CG1-CD1 3.65Å; Y5-L499 HydrophobicContact CD1-CB 4.35Å; Y5-L499 HydrophobicContact CE1-CB 3.65Å; V495-L499 HydrophobicContact CG1-CD1 4.26Å; V495-L499 WeakPolarHBondContact O-CG 3.48Å; V495-L499 PolarHBondContact O-N 3.34Å; A496-L499 PolarHBondContact O-N 3.33Å; L499-L502 PolarHBondContact O-N 3.41Å; L499-D503 WeakPolarHBondContact O-CB 3.36Å; L499-D503 PolarHBondContact O-N 3.44Å; L499-R582 HydrophobicContact CD2-CG 4.31Å; L499-L585 HydrophobicContact CD2-CB 4.17Å; L499-L585 HydrophobicContact CD2-CD2 3.73Å; L499-L585 HydrophobicContact CD2-CG 4.02Å; L499-L585 HydrophobicContact CG-CD2 4.27Å; L499-L589 HydrophobicContact CD1-CD1 4.29Å
500R95.1Very high91.7Very high37 Ų3720.4 Ų20.414%0.1412%0.116CC..Hα-helixtrans-66.9-36.3175.2-69.8179.1-176.1-126.14.7112.6Y5 A472 A496 A497 F498 D503 L504Y5-R500 HydrophobicContact CD1-CG 3.61Å; Y5-R500 HydrophobicContact CE1-CG 4.02Å; Y5-R500 PolarHBondContact O-NH2 2.58Å; A472-R500 HydrophobicContact CB-CB 4.12Å; A472-R500 WeakPolarHBondContact O-CB 3.45Å; A472-R500 WeakPolarHBondContact O-CD 2.98Å; A496-R500 WeakPolarHBondContact O-CG 3.36Å; A496-R500 PolarHBondContact O-N 3.42Å; A497-R500 PolarHBondContact O-N 2.95Å; F498-R500 VanDerWaalsContact C-N 3.33Å; F498-R500 PolarHBondContact O-N 3.15Å; R500-D503 WeakPolarHBondContact O-CB 3.24Å; R500-D503 PolarHBondContact O-N 3.07Å; R500-L504 WeakPolarHBondContact O-CB 3.08Å; R500-L504 PolarHBondContact O-N 3Å
501F97.8Very high93.3Very high0 Ų021.2 Ų21.20%011%0.113CC..Hα-helixtrans-60.5-46172.3163.6-96.7000111.3A403 W406 L407 V465 L468 V469 A472 A497 F498 D503 L504 L505A403-F501 HydrophobicContact CB-CD1 3.74Å; A403-F501 HydrophobicContact CB-CD2 4.32Å; A403-F501 HydrophobicContact CB-CE1 3.55Å; A403-F501 HydrophobicContact CB-CE2 4.14Å; A403-F501 HydrophobicContact CB-CG 4.12Å; A403-F501 HydrophobicContact CB-CZ 3.75Å; W406-F501 HydrophobicContact CE3-CE1 4.34Å; L407-F501 HydrophobicContact CD1-CZ 4.42Å; V465-F501 HydrophobicContact CG1-CE2 4.28Å; V465-F501 HydrophobicContact CG1-CZ 4.41Å; L468-F501 HydrophobicContact CB-CD2 4.05Å; L468-F501 HydrophobicContact CB-CE2 3.99Å; L468-F501 HydrophobicContact CD1-CE2 4Å; V469-F501 HydrophobicContact CG2-CB 4.26Å; V469-F501 HydrophobicContact CG2-CD2 3.75Å; V469-F501 HydrophobicContact CG2-CE2 4.38Å; V469-F501 HydrophobicContact CG2-CG 4.11Å; A472-F501 HydrophobicContact CB-CB 4.34Å; A497-F501 PolarHBondContact O-N 2.96Å; F498-F501 HydrophobicContact CD2-CD1 4.15Å; F498-F501 HydrophobicContact CE2-CD1 4.15Å; F498-F501 WeakPolarHBondContact O-CB 3.26Å; F498-F501 PolarHBondContact O-N 3.14Å; F501-D503 VanDerWaalsContact C-N 3.31Å; F501-D503 PolarHBondContact O-N 3.36Å; F501-L504 PolarHBondContact O-N 3.37Å; F501-L505 HydrophobicContact CD1-CD1 4.38Å; F501-L505 HydrophobicContact CE1-CD1 3.6Å; F501-L505 HydrophobicContact CE1-CG 4.49Å; F501-L505 HydrophobicContact CE2-CD1 3.85Å; F501-L505 HydrophobicContact CE2-CG 4.11Å; F501-L505 HydrophobicContact CZ-CD1 3.3Å; F501-L505 HydrophobicContact CZ-CG 4.07Å; F501-L505 PolarHBondContact O-N 3.32Å
502L98.4Very high94.5Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-63.5-39.3175.3-64.5175.6000111.7W406 F498 L499 A506 A578 R582W406-L502 HydrophobicContact CD2-CD2 3.87Å; W406-L502 HydrophobicContact CE3-CD2 3.93Å; W406-L502 HydrophobicContact CH2-CD2 3.99Å; W406-L502 HydrophobicContact CZ2-CD2 3.91Å; W406-L502 HydrophobicContact CZ3-CD2 3.99Å; F498-L502 HydrophobicContact CD1-CD1 4.47Å; F498-L502 HydrophobicContact CE1-CD1 3.98Å; F498-L502 HydrophobicContact CE2-CD1 4.37Å; F498-L502 HydrophobicContact CE2-CD2 4.17Å; F498-L502 HydrophobicContact CE2-CG 4.15Å; F498-L502 HydrophobicContact CZ-CD1 3.91Å; F498-L502 HydrophobicContact CZ-CD2 4.21Å; F498-L502 HydrophobicContact CZ-CG 4.17Å; F498-L502 WeakPolarHBondContact O-CG 3.42Å; F498-L502 PolarHBondContact O-N 2.67Å; L499-L502 PolarHBondContact O-N 3.41Å; L502-A506 VanDerWaalsContact O-CB 3.3Å; L502-A506 WeakPolarHBondContact O-CB 3.24Å; L502-A506 PolarHBondContact O-N 2.93Å; L502-A578 HydrophobicContact CB-CB 4.45Å; L502-A578 HydrophobicContact CD2-CB 4.21Å; L502-A578 WeakPolarHBondContact O-CB 3.15Å; L502-R582 HydrophobicContact CB-CB 3.98Å; L502-R582 HydrophobicContact CD1-CB 4.43Å
503D96.8Very high95.3Very high54 Ų5427.6 Ų27.629%0.28915%0.15SC..Hα-helixtrans-62.3-49.6175.8-168.451.5000111.8L499 R500 F501 L505 A506 T507 R582L499-D503 WeakPolarHBondContact O-CB 3.36Å; L499-D503 PolarHBondContact O-N 3.44Å; R500-D503 WeakPolarHBondContact O-CB 3.24Å; R500-D503 PolarHBondContact O-N 3.07Å; F501-D503 VanDerWaalsContact C-N 3.31Å; F501-D503 PolarHBondContact O-N 3.36Å; D503-L505 PolarHBondContact O-N 3.28Å; D503-A506 PolarHBondContact O-N 2.82Å; D503-A506 VanDerWaalsContact O-N 3.11Å; D503-T507 WeakPolarHBondContact O-CB 3.46Å; D503-T507 WeakPolarHBondContact O-CG2 3.37Å; D503-T507 PolarHBondContact O-N 3.43Å; D503-T507 PolarHBondContact O-OG1 2.85Å; D503-R582 WeakPolarHBondContact OD1-CD 3.42Å; D503-R582 IonicContact OD1-CZ 2.91Å; D503-R582 IonicContact OD1-NE 3.66Å; D503-R582 IonicContact OD1-NH1 3.08Å; D503-R582 PolarHBondContact OD1-NH1 2.85Å
504L97.3Very high95.6Very high15 Ų1527.7 Ų27.78%0.07915%0.151CC..Hα-helixtrans-56.2-50176.5179.970.4000111.1L468 Y471 A472 R500 F501 A506 Y508 W510 L515L468-L504 HydrophobicContact CB-CD2 4.39Å; L468-L504 HydrophobicContact CD2-CD2 3.94Å; Y471-L504 HydrophobicContact CD1-CD1 3.86Å; Y471-L504 HydrophobicContact CD1-CD2 3.83Å; Y471-L504 HydrophobicContact CE1-CD1 3.77Å; A472-L504 HydrophobicContact CB-CB 4.24Å; A472-L504 HydrophobicContact CB-CD2 3.96Å; R500-L504 WeakPolarHBondContact O-CB 3.08Å; R500-L504 PolarHBondContact O-N 3Å; F501-L504 PolarHBondContact O-N 3.37Å; L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 2.83Å; L504-Y508 HydrophobicContact CD1-CD2 3.92Å; L504-Y508 HydrophobicContact CD1-CG 4.19Å; L504-Y508 WeakPolarHBondContact O-CB 3.45Å; L504-Y508 PolarHBondContact O-N 2.93Å; L504-W510 HydrophobicContact CG-CH2 4.32Å; L504-W510 HydrophobicContact CG-CZ2 4.3Å; L504-L515 HydrophobicContact CD1-CD1 4.28Å; L504-L515 HydrophobicContact CD2-CD2 4.4Å
505L97.7Very high95.8Very high1 Ų127.5 Ų27.51%0.00515%0.149CC..Hα-helixtrans-57.1-43.8176.7-79.4-176.7000111.8W406 L468 F501 D503 W510 K575 A578W406-L505 HydrophobicContact CZ3-CD1 4.25Å; L468-L505 HydrophobicContact CD1-CD2 3.78Å; F501-L505 HydrophobicContact CD1-CD1 4.38Å; F501-L505 HydrophobicContact CE1-CD1 3.6Å; F501-L505 HydrophobicContact CE1-CG 4.49Å; F501-L505 HydrophobicContact CE2-CD1 3.85Å; F501-L505 HydrophobicContact CE2-CG 4.11Å; F501-L505 HydrophobicContact CZ-CD1 3.3Å; F501-L505 HydrophobicContact CZ-CG 4.07Å; F501-L505 PolarHBondContact O-N 3.32Å; D503-L505 PolarHBondContact O-N 3.28Å; L505-W510 HydrophobicContact CD2-CZ2 4.11Å; L505-W510 PolarHBondContact O-NE1 3.17Å; L505-W510 VanDerWaalsContact O-NE1 3.11Å; L505-K575 WeakPolarHBondContact O-CG 3.46Å; L505-A578 HydrophobicContact CB-CB 3.9Å
506A98Very high95.8Very high18 Ų1828.1 Ų28.115%0.14915%0.152CC..Hα-helixtrans-73.5-40.4-175.300000113.8L502 D503 L504 K575 A578L502-A506 VanDerWaalsContact O-CB 3.3Å; L502-A506 WeakPolarHBondContact O-CB 3.24Å; L502-A506 PolarHBondContact O-N 2.93Å; D503-A506 PolarHBondContact O-N 2.82Å; D503-A506 VanDerWaalsContact O-N 3.11Å; L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 2.83Å; A506-K575 WeakPolarHBondContact O-CE 3.28Å; A506-A578 HydrophobicContact CB-CB 4.18Å
507T96.9Very high95.9Very high83 Ų8328 Ų2851%0.50915%0.152SC..Hα-helixtrans-102.2-28.3-166.362.90000113.9D503D503-T507 WeakPolarHBondContact O-CB 3.46Å; D503-T507 WeakPolarHBondContact O-CG2 3.37Å; D503-T507 PolarHBondContact O-N 3.43Å; D503-T507 PolarHBondContact O-OG1 2.85Å
508Y96.5Very high95.7Very high44 Ų4428.2 Ų28.217%0.17315%0.153CC..SBendtrans-62.4143.4-175-166.8-95.2000112.5L504 W510 A513 P514 L515 K575L504-Y508 HydrophobicContact CD1-CD2 3.92Å; L504-Y508 HydrophobicContact CD1-CG 4.19Å; L504-Y508 WeakPolarHBondContact O-CB 3.45Å; L504-Y508 PolarHBondContact O-N 2.93Å; Y508-W510 AromaticContact CD1-CD2 3.58Å; Y508-W510 HydrophobicContact CD1-CD2 3.58Å; Y508-W510 AromaticContact CD1-CE2 3.87Å; Y508-W510 AromaticContact CD1-CE3 3.49Å; Y508-W510 HydrophobicContact CD1-CE3 3.49Å; Y508-W510 VanDerWaalsContact CD1-CE3 3.49Å; Y508-W510 HydrophobicContact CD1-CG 4.15Å; Y508-W510 AromaticContact CD1-CH2 3.96Å; Y508-W510 HydrophobicContact CD1-CH2 3.96Å; Y508-W510 HydrophobicContact CD1-CZ2 4.06Å; Y508-W510 AromaticContact CD1-CZ3 3.69Å; Y508-W510 HydrophobicContact CD1-CZ3 3.69Å; Y508-W510 HydrophobicContact CE1-CD2 4.44Å; Y508-W510 AromaticContact CE1-CE3 3.95Å; Y508-W510 HydrophobicContact CE1-CE3 3.95Å; Y508-W510 HydrophobicContact CE1-CZ3 4.08Å; Y508-W510 HydrophobicContact CG-CD2 4.39Å; Y508-W510 HydrophobicContact CG-CE3 4.49Å; Y508-W510 HydrophobicContact CG-CH2 4.27Å; Y508-W510 HydrophobicContact CG-CZ2 4.18Å; Y508-W510 HydrophobicContact CG-CZ3 4.44Å; Y508-W510 PolarHBondContact O-N 2.85Å; Y508-W510 VanDerWaalsContact O-N 3.13Å; Y508-A513 HydrophobicContact CE1-CB 4.46Å; Y508-A513 WeakPolarHBondContact CE1-O 3.28Å; Y508-P514 PolarHBondContact OH-O 3.49Å; Y508-L515 HydrophobicContact CD2-CD1 4.13Å; Y508-L515 HydrophobicContact CE1-CB 4.4Å; Y508-L515 HydrophobicContact CE1-CD1 4.22Å; Y508-L515 HydrophobicContact CE2-CD1 3.64Å; Y508-K575 PolarHBondContact O-NZ 3.22Å
509D95.5Very high95.4Very high74 Ų7428.7 Ų28.740%0.39616%0.155SC..  trans-8678.5178-170.8-0.6000111.3E511 N512 A513D509-E511 PolarHBondContact O-N 2.88Å; D509-E511 VanDerWaalsContact O-N 3.15Å; D509-E511 PolarHBondContact OD1-N 2.87Å; D509-N512 PolarHBondContact OD1-N 2.86Å; D509-N512 PolarHBondContact OD1-ND2 2.84Å; D509-N512 WeakPolarHBondContact OD2-CB 3.45Å; D509-N512 PolarHBondContact OD2-ND2 2.98Å; D509-A513 PolarHBondContact O-N 2.84Å
510W95.3Very high94.9Very high7 Ų734.9 Ų34.93%0.02719%0.188CC..THydrogen-bonded Turntrans-64-11.8177.7-53.5106.8000114.5L468 L504 L505 Y508 L515 R542 L548 L571L468-W510 HydrophobicContact CD2-CH2 3.58Å; L468-W510 HydrophobicContact CD2-CZ3 4.19Å; L504-W510 HydrophobicContact CG-CH2 4.32Å; L504-W510 HydrophobicContact CG-CZ2 4.3Å; L505-W510 HydrophobicContact CD2-CZ2 4.11Å; L505-W510 PolarHBondContact O-NE1 3.17Å; L505-W510 VanDerWaalsContact O-NE1 3.11Å; Y508-W510 AromaticContact CD1-CD2 3.58Å; Y508-W510 HydrophobicContact CD1-CD2 3.58Å; Y508-W510 AromaticContact CD1-CE2 3.87Å; Y508-W510 AromaticContact CD1-CE3 3.49Å; Y508-W510 HydrophobicContact CD1-CE3 3.49Å; Y508-W510 VanDerWaalsContact CD1-CE3 3.49Å; Y508-W510 HydrophobicContact CD1-CG 4.15Å; Y508-W510 AromaticContact CD1-CH2 3.96Å; Y508-W510 HydrophobicContact CD1-CH2 3.96Å; Y508-W510 HydrophobicContact CD1-CZ2 4.06Å; Y508-W510 AromaticContact CD1-CZ3 3.69Å; Y508-W510 HydrophobicContact CD1-CZ3 3.69Å; Y508-W510 HydrophobicContact CE1-CD2 4.44Å; Y508-W510 AromaticContact CE1-CE3 3.95Å; Y508-W510 HydrophobicContact CE1-CE3 3.95Å; Y508-W510 HydrophobicContact CE1-CZ3 4.08Å; Y508-W510 HydrophobicContact CG-CD2 4.39Å; Y508-W510 HydrophobicContact CG-CE3 4.49Å; Y508-W510 HydrophobicContact CG-CH2 4.27Å; Y508-W510 HydrophobicContact CG-CZ2 4.18Å; Y508-W510 HydrophobicContact CG-CZ3 4.44Å; Y508-W510 PolarHBondContact O-N 2.85Å; Y508-W510 VanDerWaalsContact O-N 3.13Å; W510-L515 HydrophobicContact CH2-CD2 4.41Å; W510-L515 HydrophobicContact CZ3-CB 4.22Å; W510-L515 HydrophobicContact CZ3-CD2 4.45Å; W510-R542 PolarHBondContact O-NH2 2.85Å; W510-L548 HydrophobicContact CD2-CD1 4.01Å; W510-L548 HydrophobicContact CD2-CG 4.29Å; W510-L548 HydrophobicContact CE3-CB 4.22Å; W510-L548 HydrophobicContact CE3-CD1 3.67Å; W510-L548 HydrophobicContact CE3-CG 3.59Å; W510-L548 HydrophobicContact CH2-CD1 3.82Å; W510-L548 HydrophobicContact CH2-CG 4.37Å; W510-L548 HydrophobicContact CZ2-CD1 4.12Å; W510-L548 HydrophobicContact CZ3-CD1 3.57Å; W510-L548 HydrophobicContact CZ3-CG 3.63Å; W510-L571 HydrophobicContact CB-CD2 3.74Å; W510-L571 HydrophobicContact CG-CD2 3.82Å
511E92.5Very high94.5Very high85 Ų8538.3 Ų38.340%0.39721%0.206SC..THydrogen-bonded Turntrans-87.6-44.6-179.2-163.261.2-146.700111.1D509 R542 R568D509-E511 PolarHBondContact O-N 2.88Å; D509-E511 VanDerWaalsContact O-N 3.15Å; D509-E511 PolarHBondContact OD1-N 2.87Å; E511-R542 WeakPolarHBondContact O-CD 3.37Å; E511-R542 PolarHBondContact O-NE 2.59Å; E511-R542 WeakPolarHBondContact OE1-CG 3.47Å; E511-R542 IonicContact OE1-NE 3.7Å; E511-R568 IonicContact OE1-CZ 2.87Å; E511-R568 IonicContact OE1-NH1 3.68Å; E511-R568 PolarHBondContact OE1-NH1 2.8Å; E511-R568 IonicContact OE2-CZ 2.92Å; E511-R568 IonicContact OE2-NH1 2.95Å; E511-R568 PolarHBondContact OE2-NH1 3.39Å
512N93.7Very high94Very high109 Ų10939.2 Ų39.258%0.58322%0.215SC*.THydrogen-bonded Turntrans-104.1-9.3-170.9-55.5-56.9000115.1D509 F537D509-N512 PolarHBondContact OD1-N 2.86Å; D509-N512 PolarHBondContact OD1-ND2 2.84Å; D509-N512 WeakPolarHBondContact OD2-CB 3.45Å; D509-N512 PolarHBondContact OD2-ND2 2.98Å; N512-F537 VanDerWaalsContact O-CE1 3.32Å; N512-F537 WeakPolarHBondContact O-CE1 3.41Å
513A93.3Very high93.6Very high36 Ų3639.2 Ų39.230%0.29822%0.215SC..  trans-138135.4-179.300000112.7Y508 D509Y508-A513 HydrophobicContact CE1-CB 4.46Å; Y508-A513 WeakPolarHBondContact CE1-O 3.28Å; D509-A513 PolarHBondContact O-N 2.84Å
514P95.5Very high93.2Very high8 Ų839 Ų395%0.05222%0.218CC..  trans-77.5148.7168.533.8-32.4000109.9Y508 L516 L534 F537 I549Y508-P514 PolarHBondContact OH-O 3.49Å; P514-L516 HydrophobicContact CG-CD2 4.45Å; P514-L534 HydrophobicContact CG-CD2 4.03Å; P514-F537 HydrophobicContact CB-CB 4.38Å; P514-F537 HydrophobicContact CB-CD2 4Å; P514-F537 HydrophobicContact CB-CG 4.12Å; P514-F537 HydrophobicContact CG-CB 3.98Å; P514-F537 HydrophobicContact CG-CD1 4.11Å; P514-F537 HydrophobicContact CG-CD2 4.21Å; P514-F537 HydrophobicContact CG-CG 3.82Å; P514-I549 HydrophobicContact CB-CB 4.4Å; P514-I549 HydrophobicContact CB-CG2 4.11Å
515L95.8Very high92.8Very high0 Ų043.5 Ų43.50%025%0.246CC..EExtended strand (participates in β ladder)trans-84.6116.3174.9-169.477.6000109.9L468 Y471 L504 Y508 W510 V517 I549 I550 C551L468-L515 HydrophobicContact CD2-CD2 3.42Å; L468-L515 VanDerWaalsContact CD2-CD2 3.42Å; Y471-L515 HydrophobicContact CD1-CD1 3.75Å; Y471-L515 HydrophobicContact CD1-CD2 4.32Å; Y471-L515 HydrophobicContact CD1-CG 4.42Å; Y471-L515 HydrophobicContact CD2-CD1 4.1Å; Y471-L515 HydrophobicContact CD2-CG 4.22Å; Y471-L515 HydrophobicContact CE1-CD1 3.56Å; Y471-L515 HydrophobicContact CE2-CD1 3.92Å; Y471-L515 HydrophobicContact CE2-CG 4.4Å; Y471-L515 HydrophobicContact CG-CD1 4.01Å; Y471-L515 HydrophobicContact CG-CD2 4.1Å; Y471-L515 HydrophobicContact CG-CG 4.23Å; L504-L515 HydrophobicContact CD1-CD1 4.28Å; L504-L515 HydrophobicContact CD2-CD2 4.4Å; Y508-L515 HydrophobicContact CD2-CD1 4.13Å; Y508-L515 HydrophobicContact CE1-CB 4.4Å; Y508-L515 HydrophobicContact CE1-CD1 4.22Å; Y508-L515 HydrophobicContact CE2-CD1 3.64Å; W510-L515 HydrophobicContact CH2-CD2 4.41Å; W510-L515 HydrophobicContact CZ3-CB 4.22Å; W510-L515 HydrophobicContact CZ3-CD2 4.45Å; L515-V517 HydrophobicContact CD2-CG2 3.98Å; L515-V517 HydrophobicContact CG-CG2 4.22Å; L515-I549 PolarHBondContact N-O 3.46Å; L515-I550 HydrophobicContact CB-CG1 4.43Å; L515-I550 HydrophobicContact CD2-CG1 4.29Å; L515-I550 CarbonylContact O-C 3.53Å; L515-I550 WeakPolarHBondContact O-CA 3.5Å; L515-C551 PolarHBondContact O-N 3.34Å
516L94.7Very high92.4Very high17 Ų1745.9 Ų45.99%0.08926%0.259CS..EExtended strand (participates in β ladder)trans-90.6110.8176.7-55.5-175.8000110.2Y471 V479 P514 R530 A533 L534 C551Y471-L516 WeakPolarHBondContact CE2-O 3.31Å; V479-L516 HydrophobicContact CG2-CB 4.23Å; P514-L516 HydrophobicContact CG-CD2 4.45Å; L516-R530 HydrophobicContact CD1-CG 4.04Å; L516-A533 HydrophobicContact CD2-CB 4.25Å; L516-L534 HydrophobicContact CD1-CD2 4.13Å; L516-L534 HydrophobicContact CD1-CG 4.35Å; L516-L534 HydrophobicContact CD2-CD2 4.5Å; L516-C551 HydrophobicContact CD2-CB 3.68Å
517V94.2Very high92Very high0 Ų049.7 Ų49.70%028%0.275CS..  trans-105.3107.4176.3-177.60000109L467 L470 Y471 L515 L519 I550 C551 T552 P553L467-V517 HydrophobicContact CB-CG2 4.48Å; L467-V517 HydrophobicContact CD2-CG1 4.03Å; L470-V517 HydrophobicContact CD2-CG1 4.05Å; L470-V517 HydrophobicContact CG-CG1 4.33Å; Y471-V517 HydrophobicContact CD2-CG2 4.23Å; Y471-V517 HydrophobicContact CG-CG2 4.5Å; L515-V517 HydrophobicContact CD2-CG2 3.98Å; L515-V517 HydrophobicContact CG-CG2 4.22Å; V517-L519 HydrophobicContact CG1-CD2 4.09Å; V517-L519 PolarHBondContact O-N 3.32Å; V517-I550 HydrophobicContact CB-CG2 4.35Å; V517-I550 HydrophobicContact CG2-CG2 3.6Å; V517-C551 PolarHBondContact N-O 2.86Å; V517-T552 HydrophobicContact CB-CG2 4.32Å; V517-P553 WeakPolarHBondContact O-CD 3.21Å
518D91.7Very high91.9Very high5 Ų551.5 Ų51.53%0.02728%0.282CS..  trans-77.4124.1-179.9-159.6-1000111.2C476 V479 E521 G522 F523 S524C476-D518 WeakPolarHBondContact CB-O 3.43Å; V479-D518 HydrophobicContact CG2-CB 4.05Å; D518-E521 VanDerWaalsContact OD1-C 3.28Å; D518-E521 WeakPolarHBondContact OD2-CA 3.37Å; D518-G522 PolarHBondContact OD1-N 3.26Å; D518-F523 HydrophobicContact CB-CB 4.42Å; D518-F523 HydrophobicContact CB-CD2 4.44Å; D518-F523 PolarHBondContact OD1-N 3.49Å; D518-S524 VanDerWaalsContact OD2-CB 3.3Å; D518-S524 WeakPolarHBondContact OD2-CB 3.17Å; D518-S524 PolarHBondContact OD2-N 3.12Å; D518-S524 PolarHBondContact OD2-OG 3.41Å
519L90.7Very high91.7Very high10 Ų1053.2 Ų53.25%0.05229%0.29CS..SBendtrans-114.6118.4179.7-61.5-178000108.3L381 T384 L467 L470 V517 E521 G522 T552 P553 L554L381-L519 HydrophobicContact CD1-CD1 3.67Å; T384-L519 HydrophobicContact CG2-CB 4.19Å; T384-L519 HydrophobicContact CG2-CD1 4.39Å; T384-L519 HydrophobicContact CG2-CD2 4.35Å; L467-L519 HydrophobicContact CD2-CD1 4.45Å; L467-L519 HydrophobicContact CD2-CD2 4.28Å; L470-L519 HydrophobicContact CD2-CD2 3.56Å; V517-L519 HydrophobicContact CG1-CD2 4.09Å; V517-L519 PolarHBondContact O-N 3.32Å; L519-E521 VanDerWaalsContact C-N 3.3Å; L519-E521 PolarHBondContact O-N 2.92Å; L519-G522 PolarHBondContact O-N 3.49Å; L519-G522 VanDerWaalsContact O-N 3.17Å; L519-T552 HydrophobicContact CD1-CG2 4.03Å; L519-P553 HydrophobicContact CB-CG 4.39Å; L519-L554 HydrophobicContact CD1-CD1 4.23Å
520N86.7Confident91.5Very high130 Ų13052.5 Ų52.570%0.69528%0.282SS*.THydrogen-bonded Turntrans53.144.3-178.3-52.2-42000112.9G522N520-G522 PolarHBondContact O-N 3.28Å
521E85.6Confident91.5Very high109 Ų10957.2 Ų57.251%0.50930%0.304SS..THydrogen-bonded Turntrans57.719-179.6-54.8174.4-169.400114.2D518 L519 F523 S524 V525D518-E521 VanDerWaalsContact OD1-C 3.28Å; D518-E521 WeakPolarHBondContact OD2-CA 3.37Å; L519-E521 VanDerWaalsContact C-N 3.3Å; L519-E521 PolarHBondContact O-N 2.92Å; E521-F523 VanDerWaalsContact C-N 3.33Å; E521-F523 PolarHBondContact O-N 2.94Å; E521-S524 PolarHBondContact O-N 3.44Å; E521-V525 HydrophobicContact CB-CG2 4Å; E521-V525 WeakPolarHBondContact O-CB 3.18Å; E521-V525 WeakPolarHBondContact O-CG2 3.2Å; E521-V525 PolarHBondContact O-N 3.38Å
522G87.2Confident91.6Very high18 Ų1857.7 Ų57.719%0.18631%0.307CS..Hα-helixtrans-63.6-30.8-175.100000114.5D518 L519 N520 D526D518-G522 PolarHBondContact OD1-N 3.26Å; L519-G522 PolarHBondContact O-N 3.49Å; L519-G522 VanDerWaalsContact O-N 3.17Å; N520-G522 PolarHBondContact O-N 3.28Å; G522-D526 WeakPolarHBondContact O-CB 3.21Å; G522-D526 PolarHBondContact O-N 2.95Å
523F90.6Very high91.6Very high0 Ų052.6 Ų52.60%028%0.279CS..Hα-helixtrans-88.7-34.2172.2-75.5-46.5000112.7V479 D518 E521 V525 D526 K529 R530 A533 C551 T552 P553 T556V479-F523 HydrophobicContact CG1-CB 4.03Å; D518-F523 HydrophobicContact CB-CB 4.42Å; D518-F523 HydrophobicContact CB-CD2 4.44Å; D518-F523 PolarHBondContact OD1-N 3.49Å; E521-F523 VanDerWaalsContact C-N 3.33Å; E521-F523 PolarHBondContact O-N 2.94Å; F523-V525 VanDerWaalsContact C-N 3.33Å; F523-D526 CarbonylContact O-C 3.38Å; F523-K529 HydrophobicContact CD1-CB 4.19Å; F523-K529 HydrophobicContact CE1-CB 4.2Å; F523-R530 HydrophobicContact CB-CB 4.24Å; F523-R530 HydrophobicContact CD1-CB 3.84Å; F523-R530 HydrophobicContact CG-CB 4.31Å; F523-A533 HydrophobicContact CE1-CB 4.35Å; F523-A533 HydrophobicContact CZ-CB 4.32Å; F523-C551 HydrophobicContact CZ-CB 4.25Å; F523-T552 VanDerWaalsContact CE2-C 3.44Å; F523-T552 WeakPolarHBondContact CZ-O 3.44Å; F523-P553 HydrophobicContact CD1-CG 4.24Å; F523-P553 HydrophobicContact CD2-CG 3.77Å; F523-P553 HydrophobicContact CE1-CG 4.46Å; F523-P553 HydrophobicContact CE2-CG 4.03Å; F523-P553 HydrophobicContact CG-CG 3.89Å; F523-P553 HydrophobicContact CZ-CG 4.37Å; F523-T556 HydrophobicContact CE1-CG2 4.34Å
524S87.8Confident91.6Very high51 Ų5153.3 Ų53.336%0.35728%0.278SS..Hα-helixtrans-63.9-39.8177.6-620000111.8D518 E521D518-S524 VanDerWaalsContact OD2-CB 3.3Å; D518-S524 WeakPolarHBondContact OD2-CB 3.17Å; D518-S524 PolarHBondContact OD2-N 3.12Å; D518-S524 PolarHBondContact OD2-OG 3.41Å; E521-S524 PolarHBondContact O-N 3.44Å
525V88.3Confident91.6Very high109 Ų10956.4 Ų56.466%0.66129%0.294SS*.Hα-helixtrans-83.7-43.7177.3177.60000111.5E521 F523 I527E521-V525 HydrophobicContact CB-CG2 4Å; E521-V525 WeakPolarHBondContact O-CB 3.18Å; E521-V525 WeakPolarHBondContact O-CG2 3.2Å; E521-V525 PolarHBondContact O-N 3.38Å; F523-V525 VanDerWaalsContact C-N 3.33Å; V525-I527 PolarHBondContact O-N 2.91Å
526D90.6Very high91.6Very high51 Ų5159.3 Ų59.327%0.27331%0.309SS..  trans-100.781.3-178.8-164.5-19.7000111.4G522 F523 N528 K529 R530G522-D526 WeakPolarHBondContact O-CB 3.21Å; G522-D526 PolarHBondContact O-N 2.95Å; F523-D526 CarbonylContact O-C 3.38Å; D526-N528 PolarHBondContact O-N 2.76Å; D526-N528 WeakPolarHBondContact OD1-CB 3.25Å; D526-N528 PolarHBondContact OD1-N 3.45Å; D526-K529 HydrophobicContact CB-CB 4.24Å; D526-K529 HydrophobicContact CB-CD 4.14Å; D526-K529 HydrophobicContact CB-CG 4.3Å; D526-K529 PolarHBondContact O-N 3.27Å; D526-K529 PolarHBondContact OD1-N 2.98Å; D526-K529 VanDerWaalsContact OD1-N 3.16Å; D526-K529 WeakPolarHBondContact OD2-CD 3.43Å; D526-K529 WeakPolarHBondContact OD2-CE 3.23Å; D526-K529 VanDerWaalsContact OD2-CG 3.31Å; D526-K529 WeakPolarHBondContact OD2-CG 3.41Å; D526-K529 IonicContact OD2-NZ 3.27Å; D526-R530 PolarHBondContact O-N 3.27Å
527I90.2Very high91.6Very high98 Ų9859.4 Ų59.450%0.50331%0.309SS..Hα-helixtrans-58.9-31.1178.6-60.7170.2000111.2V525 R530 Q531V525-I527 PolarHBondContact O-N 2.91Å; I527-R530 WeakPolarHBondContact O-CB 3Å; I527-R530 PolarHBondContact O-N 3.28Å; I527-Q531 HydrophobicContact CG2-CG 4.27Å; I527-Q531 WeakPolarHBondContact O-CG 3.09Å; I527-Q531 PolarHBondContact O-N 3.11Å
528N93.6Very high91.6Very high120 Ų12065.6 Ų65.664%0.64234%0.338SS*.Hα-helixtrans-65.8-42.9179.2-63.2-40000111.1D526 R530 Q531 Q532D526-N528 PolarHBondContact O-N 2.76Å; D526-N528 WeakPolarHBondContact OD1-CB 3.25Å; D526-N528 PolarHBondContact OD1-N 3.45Å; N528-R530 VanDerWaalsContact C-N 3.31Å; N528-R530 PolarHBondContact O-N 3.42Å; N528-Q531 PolarHBondContact O-N 3.43Å; N528-Q532 VanDerWaalsContact O-CB 3.31Å; N528-Q532 WeakPolarHBondContact O-CB 3.24Å; N528-Q532 PolarHBondContact O-N 3.14Å
529K92Very high91.7Very high81 Ų8174.4 Ų74.435%0.35237%0.37SS..Hα-helixtrans-62.5-38.7173.6-78.5-178.8-174.3177.70112.5F523 D526 Q532 A533 T556F523-K529 HydrophobicContact CD1-CB 4.19Å; F523-K529 HydrophobicContact CE1-CB 4.2Å; D526-K529 HydrophobicContact CB-CB 4.24Å; D526-K529 HydrophobicContact CB-CD 4.14Å; D526-K529 HydrophobicContact CB-CG 4.3Å; D526-K529 PolarHBondContact O-N 3.27Å; D526-K529 PolarHBondContact OD1-N 2.98Å; D526-K529 VanDerWaalsContact OD1-N 3.16Å; D526-K529 WeakPolarHBondContact OD2-CD 3.43Å; D526-K529 WeakPolarHBondContact OD2-CE 3.23Å; D526-K529 VanDerWaalsContact OD2-CG 3.31Å; D526-K529 WeakPolarHBondContact OD2-CG 3.41Å; D526-K529 IonicContact OD2-NZ 3.27Å; K529-Q532 WeakPolarHBondContact O-CB 3.41Å; K529-Q532 PolarHBondContact O-N 3.5Å; K529-A533 PolarHBondContact O-N 3.14Å; K529-T556 HydrophobicContact CB-CG2 4.29Å
530R92.8Very high91.8Very high58 Ų5876.3 Ų76.322%0.21938%0.383CS..Hα-helixtrans-62.2-49.9175.7-178.3-166.3177172.60.8110.9V479 D480 L516 F523 D526 I527 N528 Q532 A533 L534V479-R530 VanDerWaalsContact CG1-CD 3.49Å; V479-R530 HydrophobicContact CG1-CG 4.18Å; V479-R530 VanDerWaalsContact O-CZ 3.24Å; V479-R530 PolarHBondContact O-NH1 3.04Å; V479-R530 PolarHBondContact O-NH2 3.03Å; V479-R530 VanDerWaalsContact O-NH2 3.07Å; D480-R530 IonicContact OD1-CZ 3.93Å; D480-R530 IonicContact OD1-NH2 2.77Å; D480-R530 PolarHBondContact OD1-NH2 2.9Å; L516-R530 HydrophobicContact CD1-CG 4.04Å; F523-R530 HydrophobicContact CB-CB 4.24Å; F523-R530 HydrophobicContact CD1-CB 3.84Å; F523-R530 HydrophobicContact CG-CB 4.31Å; D526-R530 PolarHBondContact O-N 3.27Å; I527-R530 WeakPolarHBondContact O-CB 3Å; I527-R530 PolarHBondContact O-N 3.28Å; N528-R530 VanDerWaalsContact C-N 3.31Å; N528-R530 PolarHBondContact O-N 3.42Å; R530-Q532 VanDerWaalsContact C-N 3.31Å; R530-Q532 PolarHBondContact O-N 3.35Å; R530-A533 PolarHBondContact O-N 3.04Å; R530-L534 PolarHBondContact O-N 3.13Å
531Q93.6Very high92.1Very high106 Ų10673.7 Ų73.750%0.49537%0.373SS..Hα-helixtrans-61-41.7177.1-73.7177.6-11.900111.2I527 N528 A533 L534 D535I527-Q531 HydrophobicContact CG2-CG 4.27Å; I527-Q531 WeakPolarHBondContact O-CG 3.09Å; I527-Q531 PolarHBondContact O-N 3.11Å; N528-Q531 PolarHBondContact O-N 3.43Å; Q531-A533 VanDerWaalsContact C-N 3.33Å; Q531-A533 PolarHBondContact O-N 3.14Å; Q531-L534 PolarHBondContact O-N 3.44Å; Q531-D535 WeakPolarHBondContact O-CB 3.31Å; Q531-D535 PolarHBondContact O-N 2.84Å
532Q94.9Very high92.4Very high96 Ų9670.6 Ų70.645%0.44936%0.356SS..Hα-helixtrans-57.3-44.7175-174.7-1742300112.1N528 K529 R530 D535 L536N528-Q532 VanDerWaalsContact O-CB 3.31Å; N528-Q532 WeakPolarHBondContact O-CB 3.24Å; N528-Q532 PolarHBondContact O-N 3.14Å; K529-Q532 WeakPolarHBondContact O-CB 3.41Å; K529-Q532 PolarHBondContact O-N 3.5Å; R530-Q532 VanDerWaalsContact C-N 3.31Å; R530-Q532 PolarHBondContact O-N 3.35Å; Q532-D535 PolarHBondContact O-N 3.45Å; Q532-L536 HydrophobicContact CG-CD1 4Å; Q532-L536 HydrophobicContact CG-CG 4.37Å; Q532-L536 WeakPolarHBondContact O-CB 3.23Å; Q532-L536 WeakPolarHBondContact O-CG 3.49Å; Q532-L536 PolarHBondContact O-N 2.94Å
533A93.4Very high92.5Very high1 Ų174.8 Ų74.81%0.00838%0.382CS..Hα-helixtrans-62.4-42.8178.600000112.2L516 F523 K529 R530 Q531 F537 C551 T556L516-A533 HydrophobicContact CD2-CB 4.25Å; F523-A533 HydrophobicContact CE1-CB 4.35Å; F523-A533 HydrophobicContact CZ-CB 4.32Å; K529-A533 PolarHBondContact O-N 3.14Å; R530-A533 PolarHBondContact O-N 3.04Å; Q531-A533 VanDerWaalsContact C-N 3.33Å; Q531-A533 PolarHBondContact O-N 3.14Å; A533-F537 PolarHBondContact O-N 3.11Å; A533-C551 HydrophobicContact CB-CB 4.05Å; A533-T556 WeakPolarHBondContact CA-O 3.28Å; A533-T556 WeakPolarHBondContact CB-O 3.35Å
534L94.8Very high92.4Very high52 Ų5280.4 Ų80.427%0.27241%0.412SS..Hα-helixtrans-66.5-45.6176.2-67.2172.5000111.9P514 L516 R530 Q531 L536 F537 H538P514-L534 HydrophobicContact CG-CD2 4.03Å; L516-L534 HydrophobicContact CD1-CD2 4.13Å; L516-L534 HydrophobicContact CD1-CG 4.35Å; L516-L534 HydrophobicContact CD2-CD2 4.5Å; R530-L534 PolarHBondContact O-N 3.13Å; Q531-L534 PolarHBondContact O-N 3.44Å; L534-L536 PolarHBondContact O-N 2.81Å; L534-F537 PolarHBondContact O-N 3.47Å; L534-H538 PolarHBondContact O-CD2 3.25Å; L534-H538 PolarHBondContact O-N 3.2Å
535D95.5Very high92.6Very high72 Ų7279.1 Ų79.139%0.38540%0.401SS..Hα-helixtrans-60.3-44.2177.8-91.423000111.7Q531 Q532 F537 H538 R539Q531-D535 WeakPolarHBondContact O-CB 3.31Å; Q531-D535 PolarHBondContact O-N 2.84Å; Q532-D535 PolarHBondContact O-N 3.45Å; D535-F537 VanDerWaalsContact C-N 3.32Å; D535-F537 PolarHBondContact O-N 3.33Å; D535-H538 PolarHBondContact O-N 2.9Å; D535-R539 VanDerWaalsContact O-CB 3.28Å; D535-R539 WeakPolarHBondContact O-CB 3.34Å; D535-R539 WeakPolarHBondContact O-CG 3.11Å; D535-R539 PolarHBondContact O-N 2.88Å; D535-R539 IonicContact OD2-CZ 2.82Å; D535-R539 IonicContact OD2-NE 2.64Å; D535-R539 IonicContact OD2-NH2 3.56Å; D535-R539 PolarHBondContact OD2-NH2 2.89Å
536L94.1Very high92.8Very high62 Ų6275 Ų7533%0.32538%0.376SS..Hα-helixtrans-61.5-41.6177.7-76.3171.7000111.6Q532 L534 T540 T557Q532-L536 HydrophobicContact CG-CD1 4Å; Q532-L536 HydrophobicContact CG-CG 4.37Å; Q532-L536 WeakPolarHBondContact O-CB 3.23Å; Q532-L536 WeakPolarHBondContact O-CG 3.49Å; Q532-L536 PolarHBondContact O-N 2.94Å; L534-L536 PolarHBondContact O-N 2.81Å; L536-T540 WeakPolarHBondContact O-CB 3.21Å; L536-T540 PolarHBondContact O-N 3.21Å; L536-T540 PolarHBondContact O-OG1 3.5Å; L536-T557 HydrophobicContact CD1-CG2 4.38Å
537F94.7Very high92.9Very high18 Ų1872.9 Ų72.98%0.07937%0.366CS..Hα-helixtrans-63.4-45.6175.8174.7-96.8000112.1N512 P514 A533 L534 D535 L545 I549N512-F537 VanDerWaalsContact O-CE1 3.32Å; N512-F537 WeakPolarHBondContact O-CE1 3.41Å; P514-F537 HydrophobicContact CB-CB 4.38Å; P514-F537 HydrophobicContact CB-CD2 4Å; P514-F537 HydrophobicContact CB-CG 4.12Å; P514-F537 HydrophobicContact CG-CB 3.98Å; P514-F537 HydrophobicContact CG-CD1 4.11Å; P514-F537 HydrophobicContact CG-CD2 4.21Å; P514-F537 HydrophobicContact CG-CG 3.82Å; A533-F537 PolarHBondContact O-N 3.11Å; L534-F537 PolarHBondContact O-N 3.47Å; D535-F537 VanDerWaalsContact C-N 3.32Å; D535-F537 PolarHBondContact O-N 3.33Å; F537-L545 HydrophobicContact CD2-CD1 3.88Å; F537-L545 HydrophobicContact CE2-CD1 4.23Å; F537-I549 HydrophobicContact CD2-CD1 3.58Å; F537-I549 HydrophobicContact CE2-CD1 3.6Å
538H94.3Very high93.1Very high131 Ų13168.2 Ų68.261%0.60634%0.342SS*.Hα-helixtrans-74.7-32.4-177.5-71-55.7000113.9L534 D535L534-H538 PolarHBondContact O-CD2 3.25Å; L534-H538 PolarHBondContact O-N 3.2Å; D535-H538 PolarHBondContact O-N 2.9Å
539R94.6Very high93.2Very high189 Ų18962.7 Ų62.771%0.71331%0.313SS*.Hα-helixtrans-76.3-29.9178.8-69.9175.7-166.3-1569.2112.6D535D535-R539 VanDerWaalsContact O-CB 3.28Å; D535-R539 WeakPolarHBondContact O-CB 3.34Å; D535-R539 WeakPolarHBondContact O-CG 3.11Å; D535-R539 PolarHBondContact O-N 2.88Å; D535-R539 IonicContact OD2-CZ 2.82Å; D535-R539 IonicContact OD2-NE 2.64Å; D535-R539 IonicContact OD2-NH2 3.56Å; D535-R539 PolarHBondContact OD2-NH2 2.89Å
540T93Very high93.4Very high51 Ų5158.9 Ų58.931%0.31330%0.296SS..SBendtrans-84.8127-177.3-51.60000110.4L536 R542 N544 L545L536-T540 WeakPolarHBondContact O-CB 3.21Å; L536-T540 PolarHBondContact O-N 3.21Å; L536-T540 PolarHBondContact O-OG1 3.5Å; T540-R542 PolarHBondContact O-N 2.86Å; T540-N544 HydrophobicContact CG2-CB 4.35Å; T540-L545 HydrophobicContact CG2-CD1 4.28Å; T540-L545 HydrophobicContact CG2-CD2 3.83Å; T540-L545 HydrophobicContact CG2-CG 3.8Å
541P93Very high93.6Very high75 Ų7556.2 Ų56.249%0.48729%0.286SS..  trans-54.2129.6175.2-26.434.6000111.7C543 N544P541-C543 PolarHBondContact O-N 2.76Å; P541-N544 WeakPolarHBondContact O-CB 3.28Å; P541-N544 PolarHBondContact O-N 2.62Å
542R92Very high93.7Very high43 Ų4351.1 Ų51.116%0.16226%0.262CS..G310 helixtrans-57.9-29.6-173.5-17166.7-170.293.9-5.7113.6W510 E511 T540 N544 L545 P546 A547 R568W510-R542 PolarHBondContact O-NH2 2.85Å; E511-R542 WeakPolarHBondContact O-CD 3.37Å; E511-R542 PolarHBondContact O-NE 2.59Å; E511-R542 WeakPolarHBondContact OE1-CG 3.47Å; E511-R542 IonicContact OE1-NE 3.7Å; T540-R542 PolarHBondContact O-N 2.86Å; R542-N544 PolarHBondContact O-N 3.45Å; R542-L545 VanDerWaalsContact NH1-CB 3.34Å; R542-L545 PolarHBondContact NH1-O 2.79Å; R542-L545 PolarHBondContact O-N 2.93Å; R542-L545 VanDerWaalsContact O-N 3.12Å; R542-P546 VanDerWaalsContact CZ-O 3.24Å; R542-P546 PolarHBondContact NH1-O 3.43Å; R542-P546 PolarHBondContact NH2-O 2.87Å; R542-A547 VanDerWaalsContact NH2-C 3.35Å; R542-A547 PolarHBondContact NH2-O 3.2Å; R542-R568 PolarHBondContact O-NH2 3.13Å
543C88.4Confident93.6Very high106 Ų10647.3 Ų47.372%0.71625%0.246SC*.G310 helixtrans-62.5-24.3175.957.80000113.8P541P541-C543 PolarHBondContact O-N 2.76Å
544N89.1Confident93.5Very high119 Ų11951.4 Ų51.464%0.63627%0.267SS*.G310 helixtrans-92.2-5.6178.6-61.6-3.9000112.2T540 P541 R542T540-N544 HydrophobicContact CG2-CB 4.35Å; P541-N544 WeakPolarHBondContact O-CB 3.28Å; P541-N544 PolarHBondContact O-N 2.62Å; R542-N544 PolarHBondContact O-N 3.45Å
545L92.1Very high93.5Very high23 Ų2349.5 Ų49.512%0.1226%0.257CS..SBendtrans-103.4148.5-179-69.2174.8000111.9F537 T540 R542 I549 I559 R568F537-L545 HydrophobicContact CD2-CD1 3.88Å; F537-L545 HydrophobicContact CE2-CD1 4.23Å; T540-L545 HydrophobicContact CG2-CD1 4.28Å; T540-L545 HydrophobicContact CG2-CD2 3.83Å; T540-L545 HydrophobicContact CG2-CG 3.8Å; R542-L545 VanDerWaalsContact NH1-CB 3.34Å; R542-L545 PolarHBondContact NH1-O 2.79Å; R542-L545 PolarHBondContact O-N 2.93Å; R542-L545 VanDerWaalsContact O-N 3.12Å; L545-I549 HydrophobicContact CB-CD1 3.76Å; L545-I549 HydrophobicContact CD1-CD1 3.81Å; L545-I549 HydrophobicContact CD2-CD1 4.34Å; L545-I549 HydrophobicContact CG-CD1 4.2Å; L545-I559 HydrophobicContact CD2-CG2 4.21Å; L545-R568 PolarHBondContact O-NH2 3.26Å; L545-R568 VanDerWaalsContact O-NH2 3.08Å
546P92.1Very high93.4Very high23 Ų2347.2 Ų47.215%0.14925%0.246CC..  trans-59.6157.1176.9-22.634000113.1R542 L548 I559 E563R542-P546 VanDerWaalsContact CZ-O 3.24Å; R542-P546 PolarHBondContact NH1-O 3.43Å; R542-P546 PolarHBondContact NH2-O 2.87Å; P546-L548 PolarHBondContact O-N 3.4Å; P546-I559 HydrophobicContact CG-CB 4.13Å; P546-I559 HydrophobicContact CG-CG2 4.02Å; P546-E563 HydrophobicContact CG-CB 4.48Å
547A92.6Very high93.3Very high6 Ų647.2 Ų47.25%0.0525%0.248CC..SBendtrans-61.5-29.2-176.900000113.4R542 P566 R568 L571R542-A547 VanDerWaalsContact NH2-C 3.35Å; R542-A547 PolarHBondContact NH2-O 3.2Å; A547-P566 VanDerWaalsContact CB-O 3.28Å; A547-P566 WeakPolarHBondContact CB-O 3.43Å; A547-R568 HydrophobicContact CB-CB 4.22Å; A547-R568 HydrophobicContact CB-CG 3.57Å; A547-L571 HydrophobicContact CB-CB 4.41Å; A547-L571 HydrophobicContact CB-CD2 3.93Å; A547-L571 WeakPolarHBondContact O-CD2 3.4Å
548L94.4Very high93.3Very high0 Ų046.3 Ų46.30%025%0.245CC..SBendtrans-128.8135.8178.4173.9149.2000106.9M460 L468 W510 P546 I550 T562 P566 L571M460-L548 HydrophobicContact CE-CD1 3.79Å; M460-L548 HydrophobicContact CE-CD2 4.18Å; L468-L548 HydrophobicContact CD1-CD1 4.34Å; W510-L548 HydrophobicContact CD2-CD1 4.01Å; W510-L548 HydrophobicContact CD2-CG 4.29Å; W510-L548 HydrophobicContact CE3-CB 4.22Å; W510-L548 HydrophobicContact CE3-CD1 3.67Å; W510-L548 HydrophobicContact CE3-CG 3.59Å; W510-L548 HydrophobicContact CH2-CD1 3.82Å; W510-L548 HydrophobicContact CH2-CG 4.37Å; W510-L548 HydrophobicContact CZ2-CD1 4.12Å; W510-L548 HydrophobicContact CZ3-CD1 3.57Å; W510-L548 HydrophobicContact CZ3-CG 3.63Å; P546-L548 PolarHBondContact O-N 3.4Å; L548-I550 HydrophobicContact CD2-CD1 3.71Å; L548-I550 HydrophobicContact CD2-CG1 3.65Å; L548-T562 HydrophobicContact CD2-CG2 3.51Å; L548-T562 WeakPolarHBondContact O-CB 3.39Å; L548-T562 PolarHBondContact O-OG1 3.16Å; L548-T562 VanDerWaalsContact O-OG1 3.11Å; L548-P566 HydrophobicContact CB-CG 4.31Å; L548-L571 HydrophobicContact CB-CD2 4.09Å; L548-L571 HydrophobicContact CD1-CD1 4.16Å
549I96.1Very high93.2Very high5 Ų542.7 Ų42.73%0.02623%0.229CC..  trans-131.5127.8-176.1-57.8173.8000107.8P514 L515 F537 L545P514-I549 HydrophobicContact CB-CB 4.4Å; P514-I549 HydrophobicContact CB-CG2 4.11Å; L515-I549 PolarHBondContact N-O 3.46Å; F537-I549 HydrophobicContact CD2-CD1 3.58Å; F537-I549 HydrophobicContact CE2-CD1 3.6Å; L545-I549 HydrophobicContact CB-CD1 3.76Å; L545-I549 HydrophobicContact CD1-CD1 3.81Å; L545-I549 HydrophobicContact CD2-CD1 4.34Å; L545-I549 HydrophobicContact CG-CD1 4.2Å
550I97.1Very high93Very high1 Ų135.3 Ų35.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-125.5100.8-179.3-58.2171.8000107.7A464 L467 L468 L515 V517 L548 G558 T562A464-I550 HydrophobicContact CB-CD1 3.94Å; L467-I550 HydrophobicContact CB-CD1 4.39Å; L467-I550 HydrophobicContact CB-CG2 4.01Å; L467-I550 HydrophobicContact CD1-CG2 3.94Å; L468-I550 HydrophobicContact CD2-CD1 3.79Å; L468-I550 HydrophobicContact CD2-CG1 4.29Å; L468-I550 HydrophobicContact CG-CD1 3.86Å; L515-I550 HydrophobicContact CB-CG1 4.43Å; L515-I550 HydrophobicContact CD2-CG1 4.29Å; L515-I550 CarbonylContact O-C 3.53Å; L515-I550 WeakPolarHBondContact O-CA 3.5Å; V517-I550 HydrophobicContact CB-CG2 4.35Å; V517-I550 HydrophobicContact CG2-CG2 3.6Å; L548-I550 HydrophobicContact CD2-CD1 3.71Å; L548-I550 HydrophobicContact CD2-CG1 3.65Å; I550-G558 PolarHBondContact N-O 2.93Å; I550-G558 VanDerWaalsContact N-O 3.14Å; I550-G558 WeakPolarHBondContact O-CA 3.38Å; I550-T562 HydrophobicContact CB-CG2 4.12Å; I550-T562 HydrophobicContact CD1-CG2 4.03Å; I550-T562 HydrophobicContact CG1-CG2 3.93Å
551C96.1Very high93Very high1 Ų133.2 Ų33.21%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-82.5140.7176.3-56.70000110L515 L516 V517 F523 A533L515-C551 PolarHBondContact O-N 3.34Å; L516-C551 HydrophobicContact CD2-CB 3.68Å; V517-C551 PolarHBondContact N-O 2.86Å; F523-C551 HydrophobicContact CZ-CB 4.25Å; A533-C551 HydrophobicContact CB-CB 4.05Å
552T95.2Very high93Very high0 Ų029.7 Ų29.70%017%0.166CC..BIsolated β-bridgetrans-131.9162.7172.668.80000109.6L467 V517 L519 F523 L554 D555 T556L467-T552 HydrophobicContact CD1-CG2 3.95Å; L467-T552 HydrophobicContact CD2-CG2 4.09Å; V517-T552 HydrophobicContact CB-CG2 4.32Å; L519-T552 HydrophobicContact CD1-CG2 4.03Å; F523-T552 VanDerWaalsContact CE2-C 3.44Å; F523-T552 WeakPolarHBondContact CZ-O 3.44Å; T552-L554 PolarHBondContact O-N 2.85Å; T552-L554 PolarHBondContact OG1-N 2.93Å; T552-D555 PolarHBondContact N-O 3.46Å; T552-D555 CarbonylContact O-C 3.56Å; T552-D555 PolarHBondContact O-N 3.31Å; T552-D555 PolarHBondContact OG1-N 2.98Å; T552-D555 VanDerWaalsContact OG1-N 3.12Å; T552-T556 PolarHBondContact O-N 3.43Å
553P92.8Very high92.8Very high15 Ų1533.5 Ų33.510%0.09719%0.186CC..THydrogen-bonded Turntrans-60.8-17.1174.2-25.334.7000114.3V517 L519 F523V517-P553 WeakPolarHBondContact O-CD 3.21Å; L519-P553 HydrophobicContact CB-CG 4.39Å; F523-P553 HydrophobicContact CD1-CG 4.24Å; F523-P553 HydrophobicContact CD2-CG 3.77Å; F523-P553 HydrophobicContact CE1-CG 4.46Å; F523-P553 HydrophobicContact CE2-CG 4.03Å; F523-P553 HydrophobicContact CG-CG 3.89Å; F523-P553 HydrophobicContact CZ-CG 4.37Å
554L92.6Very high92.6Very high87 Ų8729.1 Ų29.146%0.45516%0.155SC..THydrogen-bonded Turntrans-88-24.1175.2-59.3177.3000112.6T380 L381 L519 T552T380-L554 HydrophobicContact CG2-CD1 4Å; T380-L554 HydrophobicContact CG2-CD2 3.88Å; L381-L554 HydrophobicContact CB-CD1 4.18Å; L381-L554 HydrophobicContact CD1-CD1 4.23Å; L519-L554 HydrophobicContact CD1-CD1 4.23Å; T552-L554 PolarHBondContact O-N 2.85Å; T552-L554 PolarHBondContact OG1-N 2.93Å
555D93.6Very high92.5Very high12 Ų1223.6 Ų23.66%0.06413%0.126CC..BIsolated β-bridgetrans-142.194178.8173.320.2000109.5T552 T557 G558 I559 E560T552-D555 PolarHBondContact N-O 3.46Å; T552-D555 CarbonylContact O-C 3.56Å; T552-D555 PolarHBondContact O-N 3.31Å; T552-D555 PolarHBondContact OG1-N 2.98Å; T552-D555 VanDerWaalsContact OG1-N 3.12Å; D555-T557 VanDerWaalsContact C-N 3.26Å; D555-T557 PolarHBondContact O-N 3.46Å; D555-T557 WeakPolarHBondContact OD1-CB 3.28Å; D555-T557 PolarHBondContact OD1-N 2.93Å; D555-T557 PolarHBondContact OD1-OG1 3.16Å; D555-G558 PolarHBondContact O-N 2.92Å; D555-G558 PolarHBondContact OD1-N 3.42Å; D555-G558 VanDerWaalsContact OD1-N 3.1Å; D555-G558 VanDerWaalsContact OD2-CA 3.31Å; D555-G558 WeakPolarHBondContact OD2-CA 3.28Å; D555-G558 PolarHBondContact OD2-N 3.39Å; D555-I559 PolarHBondContact OD2-N 3.06Å; D555-E560 VanDerWaalsContact OD2-CB 3.24Å; D555-E560 WeakPolarHBondContact OD2-CB 3.42Å; D555-E560 PolarHBondContact OD2-N 3.49Å; D555-E560 VanDerWaalsContact OD2-N 3.14Å
556T93.9Very high92.5Very high24 Ų2422.6 Ų22.615%0.14712%0.121CC..SBendtrans-73.7-18.417852.90000112.7F523 K529 A533 T552 G558F523-T556 HydrophobicContact CE1-CG2 4.34Å; K529-T556 HydrophobicContact CB-CG2 4.29Å; A533-T556 WeakPolarHBondContact CA-O 3.28Å; A533-T556 WeakPolarHBondContact CB-O 3.35Å; T552-T556 PolarHBondContact O-N 3.43Å; T556-G558 VanDerWaalsContact C-N 3.35Å
557T92.6Very high92.4Very high62 Ų6222.3 Ų22.338%0.3812%0.12SC..SBendtrans-73.4-32.2175.774.40000111.3L536 D555 I559L536-T557 HydrophobicContact CD1-CG2 4.38Å; D555-T557 VanDerWaalsContact C-N 3.26Å; D555-T557 PolarHBondContact O-N 3.46Å; D555-T557 WeakPolarHBondContact OD1-CB 3.28Å; D555-T557 PolarHBondContact OD1-N 2.93Å; D555-T557 PolarHBondContact OD1-OG1 3.16Å; T557-I559 PolarHBondContact O-N 2.9Å; T557-I559 WeakPolarHBondContact OG1-CG1 3.28Å
558G93.2Very high92.3Very high0 Ų026.5 Ų26.50%013%0.134CC..  trans70.39178.300000115.3I550 D555 T556 T562I550-G558 PolarHBondContact N-O 2.93Å; I550-G558 VanDerWaalsContact N-O 3.14Å; I550-G558 WeakPolarHBondContact O-CA 3.38Å; D555-G558 PolarHBondContact O-N 2.92Å; D555-G558 PolarHBondContact OD1-N 3.42Å; D555-G558 VanDerWaalsContact OD1-N 3.1Å; D555-G558 VanDerWaalsContact OD2-CA 3.31Å; D555-G558 WeakPolarHBondContact OD2-CA 3.28Å; D555-G558 PolarHBondContact OD2-N 3.39Å; T556-G558 VanDerWaalsContact C-N 3.35Å; G558-T562 PolarHBondContact O-OG1 3.33Å
559I92.3Very high92Very high54 Ų5428.8 Ų28.828%0.27716%0.158SC..  trans-93.6-23.4-177.874-171.3000112.2L545 P546 D555 T557 W561 T562 E563L545-I559 HydrophobicContact CD2-CG2 4.21Å; P546-I559 HydrophobicContact CG-CB 4.13Å; P546-I559 HydrophobicContact CG-CG2 4.02Å; D555-I559 PolarHBondContact OD2-N 3.06Å; T557-I559 PolarHBondContact O-N 2.9Å; T557-I559 WeakPolarHBondContact OG1-CG1 3.28Å; I559-W561 PolarHBondContact O-N 3.29Å; I559-T562 WeakPolarHBondContact CA-OG1 3.44Å; I559-T562 PolarHBondContact O-N 3.23Å; I559-T562 PolarHBondContact O-OG1 3.05Å; I559-E563 VanDerWaalsContact O-CB 3.25Å; I559-E563 WeakPolarHBondContact O-CB 3.49Å; I559-E563 PolarHBondContact O-N 3.16Å
560E90.7Very high91.7Very high35 Ų3528.7 Ų28.716%0.16416%0.158CC..THydrogen-bonded Turntrans-57.4-35.4-166.5-174.3173.8-150.900113.2R373 S377 Y419 D555R373-E560 WeakPolarHBondContact CA-OE1 3.36Å; R373-E560 WeakPolarHBondContact CB-OE1 3.49Å; R373-E560 HydrophobicContact CG-CG 4.06Å; S377-E560 VanDerWaalsContact CB-CD 3.49Å; S377-E560 WeakPolarHBondContact CB-OE1 3.38Å; S377-E560 VanDerWaalsContact CB-OE2 3.31Å; S377-E560 WeakPolarHBondContact CB-OE2 3.26Å; S377-E560 PolarHBondContact OG-OE1 2.95Å; S377-E560 PolarHBondContact OG-OE2 3.02Å; Y419-E560 PolarHBondContact OH-O 3.31Å; D555-E560 VanDerWaalsContact OD2-CB 3.24Å; D555-E560 WeakPolarHBondContact OD2-CB 3.42Å; D555-E560 PolarHBondContact OD2-N 3.49Å; D555-E560 VanDerWaalsContact OD2-N 3.14Å
561W93.5Very high91.6Very high6 Ų629 Ų292%0.02316%0.16CC..THydrogen-bonded Turntrans-102.4-2.4-178.6-51104.8000114.1R373 L378 L381 T461 V463 I559R373-W561 HydrophobicContact CG-CH2 3.65Å; R373-W561 HydrophobicContact CG-CZ2 4.43Å; R373-W561 HydrophobicContact CG-CZ3 3.89Å; L378-W561 HydrophobicContact CB-CH2 3.85Å; L378-W561 HydrophobicContact CD1-CH2 3.74Å; L378-W561 HydrophobicContact CD1-CZ3 4.06Å; L378-W561 HydrophobicContact CG-CH2 4.33Å; L381-W561 HydrophobicContact CD2-CD2 4.13Å; L381-W561 VanDerWaalsContact CD2-CE2 3.41Å; L381-W561 HydrophobicContact CD2-CG 4.49Å; L381-W561 HydrophobicContact CD2-CZ2 3.66Å; T461-W561 VanDerWaalsContact CG2-O 3.27Å; T461-W561 WeakPolarHBondContact CG2-O 3.03Å; T461-W561 PolarHBondContact OG1-O 3.45Å; V463-W561 HydrophobicContact CB-CB 4.45Å; V463-W561 HydrophobicContact CB-CD2 4.04Å; V463-W561 HydrophobicContact CB-CE3 3.86Å; V463-W561 HydrophobicContact CB-CG 4.26Å; V463-W561 HydrophobicContact CG1-CB 4.12Å; V463-W561 HydrophobicContact CG1-CD2 3.54Å; V463-W561 HydrophobicContact CG1-CE3 3.86Å; V463-W561 HydrophobicContact CG1-CG 3.6Å; V463-W561 HydrophobicContact CG2-CD2 4.49Å; V463-W561 HydrophobicContact CG2-CE3 3.98Å; V463-W561 HydrophobicContact CG2-CZ3 4.23Å; I559-W561 PolarHBondContact O-N 3.29Å
562T93Very high91.4Very high1 Ų132.7 Ų32.71%0.00619%0.185CC..THydrogen-bonded Turntrans-126.3-12.7-169.365.80000113.4A464 L548 I550 G558 I559 I564 G565A464-T562 HydrophobicContact CB-CG2 4.41Å; L548-T562 HydrophobicContact CD2-CG2 3.51Å; L548-T562 WeakPolarHBondContact O-CB 3.39Å; L548-T562 PolarHBondContact O-OG1 3.16Å; L548-T562 VanDerWaalsContact O-OG1 3.11Å; I550-T562 HydrophobicContact CB-CG2 4.12Å; I550-T562 HydrophobicContact CD1-CG2 4.03Å; I550-T562 HydrophobicContact CG1-CG2 3.93Å; G558-T562 PolarHBondContact O-OG1 3.33Å; I559-T562 WeakPolarHBondContact CA-OG1 3.44Å; I559-T562 PolarHBondContact O-N 3.23Å; I559-T562 PolarHBondContact O-OG1 3.05Å; T562-I564 VanDerWaalsContact C-N 3.31Å; T562-I564 PolarHBondContact O-N 2.83Å; T562-G565 CarbonylContact O-C 3.48Å; T562-G565 PolarHBondContact O-N 3.01Å; T562-G565 VanDerWaalsContact O-N 3.13Å
563E88.1Confident91.3Very high124 Ų12433.5 Ų33.558%0.57919%0.19SC*.THydrogen-bonded Turntrans-54.9-43.7178.5-179.4179.7-152.700112.5P546 I559 G565P546-E563 HydrophobicContact CG-CB 4.48Å; I559-E563 VanDerWaalsContact O-CB 3.25Å; I559-E563 WeakPolarHBondContact O-CB 3.49Å; I559-E563 PolarHBondContact O-N 3.16Å; E563-G565 VanDerWaalsContact C-N 3.25Å; E563-G565 PolarHBondContact O-N 3.31Å
564I83.7Confident91.4Very high13 Ų1332.8 Ų32.87%0.06719%0.185CC..THydrogen-bonded Turntrans-70.1-24.5-176.9-62.1157.1000112.3I415 Y419 W447 V451 N456 T461 T562I415-I564 HydrophobicContact CD1-CB 4.14Å; I415-I564 HydrophobicContact CD1-CG2 3.28Å; Y419-I564 HydrophobicContact CD2-CD1 3.46Å; Y419-I564 VanDerWaalsContact CD2-CD1 3.46Å; Y419-I564 HydrophobicContact CE1-CD1 4.2Å; Y419-I564 HydrophobicContact CE2-CD1 3.06Å; Y419-I564 HydrophobicContact CE2-CG1 4.44Å; Y419-I564 HydrophobicContact CG-CD1 4.22Å; Y419-I564 VanDerWaalsContact CZ-CD1 3.48Å; W447-I564 HydrophobicContact CZ2-CD1 3.77Å; V451-I564 HydrophobicContact CG1-CB 4.18Å; V451-I564 HydrophobicContact CG1-CG1 3.71Å; V451-I564 HydrophobicContact CG1-CG2 4.07Å; V451-I564 HydrophobicContact CG2-CG1 4.02Å; V451-I564 HydrophobicContact CG2-CG2 3.88Å; N456-I564 WeakPolarHBondContact CB-O 3.46Å; N456-I564 WeakPolarHBondContact ND2-CG2 3.26Å; N456-I564 PolarHBondContact ND2-O 2.85Å; T461-I564 HydrophobicContact CG2-CD1 4.39Å; T562-I564 VanDerWaalsContact C-N 3.31Å; T562-I564 PolarHBondContact O-N 2.83Å
565G86.2Confident91.6Very high3 Ų331.7 Ų31.73%0.03118%0.177CC..  trans162.9164-177.800000113.5R459 T562 E563R459-G565 CarbonylContact O-C 3.57Å; R459-G565 VanDerWaalsContact O-C 3.3Å; R459-G565 WeakPolarHBondContact O-CA 3.35Å; T562-G565 CarbonylContact O-C 3.48Å; T562-G565 PolarHBondContact O-N 3.01Å; T562-G565 VanDerWaalsContact O-N 3.13Å; E563-G565 VanDerWaalsContact C-N 3.25Å; E563-G565 PolarHBondContact O-N 3.31Å
566P92.5Very high91.7Very high3 Ų335.4 Ų35.42%0.01920%0.196CC..  cis-82.9159.114.232.4-32.1000113.6R459 M460 A547 L548 L571R459-P566 WeakPolarHBondContact O-CA 3.29Å; M460-P566 HydrophobicContact CG-CB 4.33Å; M460-P566 HydrophobicContact CG-CG 4.13Å; M460-P566 HydrophobicContact SD-CG 4.49Å; A547-P566 VanDerWaalsContact CB-O 3.28Å; A547-P566 WeakPolarHBondContact CB-O 3.43Å; L548-P566 HydrophobicContact CB-CG 4.31Å; P566-L571 HydrophobicContact CB-CB 4.37Å; P566-L571 HydrophobicContact CG-CB 4.01Å; P566-L571 HydrophobicContact CG-CD1 4Å; P566-L571 HydrophobicContact CG-CG 4.45Å
567S89.7Confident91.7Very high17 Ų1735.3 Ų35.312%0.11919%0.194CC..  trans-67.8158.516767.70000110.8N455 G457 G569 G570 L571N455-S567 WeakPolarHBondContact OD1-CB 3.38Å; G457-S567 WeakPolarHBondContact O-CB 3.42Å; G457-S567 PolarHBondContact O-N 3.37Å; G457-S567 PolarHBondContact O-OG 3.24Å; S567-G569 VanDerWaalsContact C-N 3.33Å; S567-G569 PolarHBondContact O-N 3.34Å; S567-G570 CarbonylContact O-C 3.56Å; S567-G570 PolarHBondContact O-N 3.01Å; S567-G570 VanDerWaalsContact O-N 3.13Å; S567-G570 PolarHBondContact OG-N 3.11Å; S567-G570 VanDerWaalsContact OG-N 3.08Å; S567-L571 WeakPolarHBondContact O-CB 3.43Å; S567-L571 PolarHBondContact O-N 3.29Å
568R90.4Very high91.9Very high93 Ų9332.3 Ų32.335%0.35118%0.176SC..Hα-helixtrans-57.3-44.5178.4-67.6-173.7-173-71.7-9.3113.1E511 R542 L545 A547 L571 S572E511-R568 IonicContact OE1-CZ 2.87Å; E511-R568 IonicContact OE1-NH1 3.68Å; E511-R568 PolarHBondContact OE1-NH1 2.8Å; E511-R568 IonicContact OE2-CZ 2.92Å; E511-R568 IonicContact OE2-NH1 2.95Å; E511-R568 PolarHBondContact OE2-NH1 3.39Å; R542-R568 PolarHBondContact O-NH2 3.13Å; L545-R568 PolarHBondContact O-NH2 3.26Å; L545-R568 VanDerWaalsContact O-NH2 3.08Å; A547-R568 HydrophobicContact CB-CB 4.22Å; A547-R568 HydrophobicContact CB-CG 3.57Å; R568-L571 PolarHBondContact O-N 2.93Å; R568-S572 PolarHBondContact O-N 3.16Å
569G88.3Confident92.1Very high48 Ų4833 Ų3350%0.49518%0.184SC..Hα-helixtrans-64.1-41.9176.400000112.3S567 S572 D573S567-G569 VanDerWaalsContact C-N 3.33Å; S567-G569 PolarHBondContact O-N 3.34Å; G569-S572 PolarHBondContact O-N 3.34Å; G569-D573 PolarHBondContact O-N 3.35Å
570G90.6Very high92.3Very high3 Ų335.6 Ų35.63%0.03120%0.195CC..Hα-helixtrans-65.8-41.3175.600000113.3S567 D573 L574S567-G570 CarbonylContact O-C 3.56Å; S567-G570 PolarHBondContact O-N 3.01Å; S567-G570 VanDerWaalsContact O-N 3.13Å; S567-G570 PolarHBondContact OG-N 3.11Å; S567-G570 VanDerWaalsContact OG-N 3.08Å; G570-D573 PolarHBondContact O-N 3.49Å; G570-L574 WeakPolarHBondContact O-CG 3.5Å; G570-L574 PolarHBondContact O-N 3.27Å
571L94.3Very high92.6Very high9 Ų934.4 Ų34.45%0.04719%0.19CC..Hα-helixtrans-61.6-45.6174.5-176.958.8000110.5W510 A547 L548 P566 S567 R568 D573 L574 K575W510-L571 HydrophobicContact CB-CD2 3.74Å; W510-L571 HydrophobicContact CG-CD2 3.82Å; A547-L571 HydrophobicContact CB-CB 4.41Å; A547-L571 HydrophobicContact CB-CD2 3.93Å; A547-L571 WeakPolarHBondContact O-CD2 3.4Å; L548-L571 HydrophobicContact CB-CD2 4.09Å; L548-L571 HydrophobicContact CD1-CD1 4.16Å; P566-L571 HydrophobicContact CB-CB 4.37Å; P566-L571 HydrophobicContact CG-CB 4.01Å; P566-L571 HydrophobicContact CG-CD1 4Å; P566-L571 HydrophobicContact CG-CG 4.45Å; S567-L571 WeakPolarHBondContact O-CB 3.43Å; S567-L571 PolarHBondContact O-N 3.29Å; R568-L571 PolarHBondContact O-N 2.93Å; L571-D573 VanDerWaalsContact C-N 3.33Å; L571-D573 PolarHBondContact O-N 2.99Å; L571-L574 CarbonylContact O-C 3.42Å; L571-L574 WeakPolarHBondContact O-CA 3.34Å; L571-L574 WeakPolarHBondContact O-CB 3.3Å; L571-L574 PolarHBondContact O-N 3.22Å; L571-L574 VanDerWaalsContact O-N 3.08Å; L571-K575 WeakPolarHBondContact O-CG 3.02Å; L571-K575 PolarHBondContact O-N 3.16Å
572S93.1Very high92.7Very high77 Ų7736.1 Ų36.154%0.53820%0.196SC..Hα-helixtrans-59-42175.2-177.40000112.6R568 G569 L574 K575 L576R568-S572 PolarHBondContact O-N 3.16Å; G569-S572 PolarHBondContact O-N 3.34Å; S572-L574 VanDerWaalsContact C-N 3.34Å; S572-K575 PolarHBondContact O-N 3.15Å; S572-L576 PolarHBondContact O-N 3.34Å
573D92Very high92.8Very high18 Ų1839.1 Ų39.110%0.09621%0.212CC..Hα-helixtrans-63.5-41.1174.1-84.4-25.6000110.7G569 G570 L571 L576 L577 K608 R687 R699G569-D573 PolarHBondContact O-N 3.35Å; G570-D573 PolarHBondContact O-N 3.49Å; L571-D573 VanDerWaalsContact C-N 3.33Å; L571-D573 PolarHBondContact O-N 2.99Å; D573-L576 PolarHBondContact O-N 2.85Å; D573-L577 WeakPolarHBondContact O-CG 3.4Å; D573-L577 PolarHBondContact O-N 3.44Å; D573-K608 IonicContact OD1-NZ 3.26Å; D573-K608 PolarHBondContact OD1-NZ 2.89Å; D573-R687 IonicContact OD2-NH2 3.07Å; D573-R687 PolarHBondContact OD2-NH2 3.41Å; D573-R699 IonicContact OD2-CZ 2.73Å; D573-R699 IonicContact OD2-NH1 2.67Å; D573-R699 PolarHBondContact OD2-NH1 3Å
574L94.7Very high93.1Very high0 Ų037 Ų370%020%0.204CC..Hα-helixtrans-64.3-41.5175.9-74.8179.2000113W406 L407 Y412 G458 M460 G570 L571 S572 L576 L577 A578W406-L574 HydrophobicContact CH2-CD2 4.34Å; W406-L574 HydrophobicContact CZ3-CD2 4.29Å; L407-L574 HydrophobicContact CD2-CD1 4.26Å; L407-L574 HydrophobicContact CD2-CD2 3.76Å; Y412-L574 HydrophobicContact CD2-CD2 3.59Å; Y412-L574 HydrophobicContact CD2-CG 4.4Å; Y412-L574 HydrophobicContact CE2-CD2 3.82Å; Y412-L574 HydrophobicContact CE2-CG 4.38Å; Y412-L574 HydrophobicContact CG-CD2 4.48Å; G458-L574 WeakPolarHBondContact O-CD1 3.37Å; M460-L574 HydrophobicContact CG-CD1 4.49Å; M460-L574 HydrophobicContact SD-CD1 4.25Å; G570-L574 WeakPolarHBondContact O-CG 3.5Å; G570-L574 PolarHBondContact O-N 3.27Å; L571-L574 CarbonylContact O-C 3.42Å; L571-L574 WeakPolarHBondContact O-CA 3.34Å; L571-L574 WeakPolarHBondContact O-CB 3.3Å; L571-L574 PolarHBondContact O-N 3.22Å; L571-L574 VanDerWaalsContact O-N 3.08Å; S572-L574 VanDerWaalsContact C-N 3.34Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 2.87Å; L574-L577 PolarHBondContact O-N 2.6Å; L574-A578 WeakPolarHBondContact O-CB 3.39Å; L574-A578 PolarHBondContact O-N 2.8Å
575K96.9Very high93.7Very high64 Ų6436.3 Ų36.328%0.27820%0.201SC..Hα-helixtrans-56.1-46177-63.4-167.869.8159.30110.6L505 A506 Y508 L571 S572 G579L505-K575 WeakPolarHBondContact O-CG 3.46Å; A506-K575 WeakPolarHBondContact O-CE 3.28Å; Y508-K575 PolarHBondContact O-NZ 3.22Å; L571-K575 WeakPolarHBondContact O-CG 3.02Å; L571-K575 PolarHBondContact O-N 3.16Å; S572-K575 PolarHBondContact O-N 3.15Å; K575-G579 PolarHBondContact O-N 2.84Å
576L95.1Very high94.1Very high89 Ų8937.8 Ų37.847%0.46621%0.206SC..Hα-helixtrans-64.2-49.7178.9-179.764.1000111.7S572 D573 L574 A578 G579 Q580S572-L576 PolarHBondContact O-N 3.34Å; D573-L576 PolarHBondContact O-N 2.85Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 2.87Å; L576-A578 VanDerWaalsContact C-N 3.33Å; L576-A578 PolarHBondContact O-N 2.8Å; L576-G579 PolarHBondContact O-N 2.82Å; L576-Q580 WeakPolarHBondContact O-CG 3.44Å; L576-Q580 PolarHBondContact O-N 2.74Å; L576-Q580 VanDerWaalsContact O-N 3.08Å
577L94.9Very high94.1Very high22 Ų2239.4 Ų39.412%0.11522%0.219CC..Hα-helixtrans-62.7-40.2179.2-71.1172.7000111.9W406 Q410 Y412 D573 L574 S581 V605W406-L577 HydrophobicContact CH2-CB 4.22Å; W406-L577 HydrophobicContact CZ2-CB 4.06Å; Q410-L577 HydrophobicContact CB-CD1 4.48Å; Y412-L577 HydrophobicContact CE2-CD1 4.33Å; D573-L577 WeakPolarHBondContact O-CG 3.4Å; D573-L577 PolarHBondContact O-N 3.44Å; L574-L577 PolarHBondContact O-N 2.6Å; L577-S581 WeakPolarHBondContact O-CB 3.28Å; L577-S581 PolarHBondContact O-N 3.02Å; L577-S581 PolarHBondContact O-OG 2.79Å; L577-V605 HydrophobicContact CD2-CG2 3.8Å
578A97.6Very high94.3Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-65.7-45.8179.300000111.1W406 L502 L505 A506 L574 L576 Q580 S581 R582W406-A578 HydrophobicContact CH2-CB 3.93Å; W406-A578 HydrophobicContact CZ2-CB 4.47Å; L502-A578 HydrophobicContact CB-CB 4.45Å; L502-A578 HydrophobicContact CD2-CB 4.21Å; L502-A578 WeakPolarHBondContact O-CB 3.15Å; L505-A578 HydrophobicContact CB-CB 3.9Å; A506-A578 HydrophobicContact CB-CB 4.18Å; L574-A578 WeakPolarHBondContact O-CB 3.39Å; L574-A578 PolarHBondContact O-N 2.8Å; L576-A578 VanDerWaalsContact C-N 3.33Å; L576-A578 PolarHBondContact O-N 2.8Å; A578-Q580 PolarHBondContact O-N 2.94Å; A578-S581 PolarHBondContact O-N 2.86Å; A578-R582 VanDerWaalsContact O-CB 3.25Å; A578-R582 WeakPolarHBondContact O-CB 3.41Å; A578-R582 PolarHBondContact O-N 3.38Å
579G97.3Very high94.5Very high15 Ų1535.5 Ų35.516%0.15520%0.204CC..Hα-helixtrans-61.6-44.1177.200000112.8K575 L576 D583K575-G579 PolarHBondContact O-N 2.84Å; L576-G579 PolarHBondContact O-N 2.82Å; G579-D583 PolarHBondContact O-N 3.14Å; G579-D583 VanDerWaalsContact O-N 3.16Å
580Q95.6Very high94.7Very high108 Ų10833.2 Ų33.251%0.50518%0.18SC..Hα-helixtrans-66.2-43.2175.8-69.7176.7-5.600112L576 A578 D583 L584L576-Q580 WeakPolarHBondContact O-CG 3.44Å; L576-Q580 PolarHBondContact O-N 2.74Å; L576-Q580 VanDerWaalsContact O-N 3.08Å; A578-Q580 PolarHBondContact O-N 2.94Å; Q580-D583 PolarHBondContact O-N 3.02Å; Q580-L584 VanDerWaalsContact O-CB 3.25Å; Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 PolarHBondContact O-N 3.18Å
581S96.9Very high94.7Very high9 Ų936 Ų366%0.06320%0.199CC..Hα-helixtrans-64-42.5178.6-62.90000111.5W406 L577 A578 L585W406-S581 PolarHBondContact NE1-OG 3.5Å; L577-S581 WeakPolarHBondContact O-CB 3.28Å; L577-S581 PolarHBondContact O-N 3.02Å; L577-S581 PolarHBondContact O-OG 2.79Å; A578-S581 PolarHBondContact O-N 2.86Å; S581-L585 WeakPolarHBondContact O-CA 3.13Å; S581-L585 WeakPolarHBondContact O-CB 3.14Å; S581-L585 PolarHBondContact O-N 2.97Å
582R95.9Very high94.5Very high43 Ų4338.6 Ų38.616%0.16221%0.213CC..Hα-helixtrans-58.1-53.6176.4180-16067.2-159.3-8.2111.1Y5 L499 L502 D503 A578 R586Y5-R582 WeakPolarHBondContact OH-CG 3.28Å; L499-R582 HydrophobicContact CD2-CG 4.31Å; L502-R582 HydrophobicContact CB-CB 3.98Å; L502-R582 HydrophobicContact CD1-CB 4.43Å; D503-R582 WeakPolarHBondContact OD1-CD 3.42Å; D503-R582 IonicContact OD1-CZ 2.91Å; D503-R582 IonicContact OD1-NE 3.66Å; D503-R582 IonicContact OD1-NH1 3.08Å; D503-R582 PolarHBondContact OD1-NH1 2.85Å; A578-R582 VanDerWaalsContact O-CB 3.25Å; A578-R582 WeakPolarHBondContact O-CB 3.41Å; A578-R582 PolarHBondContact O-N 3.38Å; R582-R586 VanDerWaalsContact O-CB 3.28Å; R582-R586 WeakPolarHBondContact O-CB 3.39Å; R582-R586 PolarHBondContact O-N 2.81Å
583D94.4Very high94.5Very high64 Ų6435.6 Ų35.634%0.34219%0.193SC..Hα-helixtrans-64.8-45-176.4-77.916000111.6K67 G579 Q580 A587K67-D583 IonicContact NZ-OD2 3.54Å; G579-D583 PolarHBondContact O-N 3.14Å; G579-D583 VanDerWaalsContact O-N 3.16Å; Q580-D583 PolarHBondContact O-N 3.02Å; D583-A587 WeakPolarHBondContact O-CB 3.45Å; D583-A587 PolarHBondContact O-N 3.33Å
584L95.2Very high94.5Very high78 Ų7837.9 Ų37.941%0.40821%0.209SC..Hα-helixtrans-66.6-47.5178.7-177.960000111.4Q580 R586 A587 M588 V600 I601Q580-L584 VanDerWaalsContact O-CB 3.25Å; Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 PolarHBondContact O-N 3.18Å; L584-R586 PolarHBondContact O-N 3.18Å; L584-A587 PolarHBondContact O-N 3.32Å; L584-M588 HydrophobicContact CD1-CG 4.22Å; L584-M588 HydrophobicContact CD1-SD 4.31Å; L584-M588 HydrophobicContact CD2-CE 4.47Å; L584-M588 HydrophobicContact CG-CE 3.91Å; L584-M588 HydrophobicContact CG-CG 4.49Å; L584-M588 HydrophobicContact CG-SD 4.23Å; L584-M588 WeakPolarHBondContact O-CB 3.48Å; L584-M588 VanDerWaalsContact O-CG 3.28Å; L584-M588 WeakPolarHBondContact O-CG 3.47Å; L584-M588 PolarHBondContact O-N 3.2Å; L584-V600 HydrophobicContact CD2-CG1 3.95Å; L584-I601 HydrophobicContact CD2-CG2 4.19Å; L584-I601 HydrophobicContact CG-CG2 4.37Å
585L96.1Very high94.2Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-59-49.3178.5178.558.5000110.7L164 F498 L499 S581 A587 M588 L589 L598 I601L164-L585 HydrophobicContact CD1-CD2 4.15Å; L164-L585 HydrophobicContact CD2-CD1 4.22Å; F498-L585 HydrophobicContact CD1-CD2 3.88Å; F498-L585 HydrophobicContact CE1-CD2 3.8Å; L499-L585 HydrophobicContact CD2-CB 4.17Å; L499-L585 HydrophobicContact CD2-CD2 3.73Å; L499-L585 HydrophobicContact CD2-CG 4.02Å; L499-L585 HydrophobicContact CG-CD2 4.27Å; S581-L585 WeakPolarHBondContact O-CA 3.13Å; S581-L585 WeakPolarHBondContact O-CB 3.14Å; S581-L585 PolarHBondContact O-N 2.97Å; L585-A587 VanDerWaalsContact C-N 3.34Å; L585-A587 PolarHBondContact O-N 3.39Å; L585-M588 HydrophobicContact CD1-CE 4.48Å; L585-M588 PolarHBondContact O-N 2.94Å; L585-L589 HydrophobicContact CD1-CD1 3.88Å; L585-L589 HydrophobicContact CD1-CD2 4.23Å; L585-L589 HydrophobicContact CD1-CG 3.83Å; L585-L589 HydrophobicContact CD2-CD1 4.41Å; L585-L589 HydrophobicContact CG-CD1 3.76Å; L585-L589 HydrophobicContact CG-CG 4.18Å; L585-L589 WeakPolarHBondContact O-CB 3.17Å; L585-L589 VanDerWaalsContact O-CG 3.24Å; L585-L589 WeakPolarHBondContact O-CG 3.44Å; L585-L589 PolarHBondContact O-N 2.88Å; L585-L598 HydrophobicContact CD1-CD2 4.02Å; L585-I601 HydrophobicContact CB-CD1 4.41Å; L585-I601 HydrophobicContact CB-CG2 4.21Å; L585-I601 HydrophobicContact CD1-CD1 3.83Å; L585-I601 HydrophobicContact CD1-CG1 4.48Å; L585-I601 HydrophobicContact CD2-CD1 3.92Å; L585-I601 HydrophobicContact CG-CD1 4.26Å
586R94.7Very high93.8Very high33 Ų3339.4 Ų39.413%0.12522%0.219CC..Hα-helixtrans-55.9-49.6177.6-175.5-160.2178.2-86.3-1.5111.1D2 S65 R582 L584 M588 L589 V590D2-R586 VanDerWaalsContact CG-NH2 3.29Å; D2-R586 IonicContact OD1-CZ 2.93Å; D2-R586 IonicContact OD1-NE 3.78Å; D2-R586 IonicContact OD1-NH2 3.09Å; D2-R586 PolarHBondContact OD1-NH2 3.1Å; D2-R586 IonicContact OD2-CZ 3.92Å; D2-R586 VanDerWaalsContact OD2-CZ 3.26Å; D2-R586 IonicContact OD2-NE 2.91Å; D2-R586 PolarHBondContact OD2-NE 3.16Å; D2-R586 IonicContact OD2-NH2 2.65Å; D2-R586 PolarHBondContact OD2-NH2 3.11Å; D2-R586 VanDerWaalsContact OD2-NH2 3.08Å; S65-R586 PolarHBondContact O-NH1 2.79Å; S65-R586 PolarHBondContact O-NH2 2.98Å; R582-R586 VanDerWaalsContact O-CB 3.28Å; R582-R586 WeakPolarHBondContact O-CB 3.39Å; R582-R586 PolarHBondContact O-N 2.81Å; L584-R586 PolarHBondContact O-N 3.18Å; R586-M588 VanDerWaalsContact C-N 3.32Å; R586-M588 PolarHBondContact O-N 3.39Å; R586-L589 PolarHBondContact O-N 2.86Å; R586-V590 WeakPolarHBondContact O-CG2 3.32Å; R586-V590 PolarHBondContact O-N 3.47Å
587A92.9Very high93.7Very high37 Ų3739 Ų3931%0.30622%0.218SC..Hα-helixtrans-60.9-41.1-179.800000112.3D583 L584 L585 S591D583-A587 WeakPolarHBondContact O-CB 3.45Å; D583-A587 PolarHBondContact O-N 3.33Å; L584-A587 PolarHBondContact O-N 3.32Å; L585-A587 VanDerWaalsContact C-N 3.34Å; L585-A587 PolarHBondContact O-N 3.39Å; A587-S591 VanDerWaalsContact O-CB 3.27Å; A587-S591 WeakPolarHBondContact O-CB 3.49Å; A587-S591 PolarHBondContact O-N 2.87Å; A587-S591 PolarHBondContact O-OG 3.3Å
588M94.3Very high93.6Very high23 Ų2338 Ų3811%0.11321%0.213CC..Hα-helixtrans-67.6-42.2177.3-71.6-171-58.200112.6L584 L585 R586 S591 N592 A593 D597 L598 I601L584-M588 HydrophobicContact CD1-CG 4.22Å; L584-M588 HydrophobicContact CD1-SD 4.31Å; L584-M588 HydrophobicContact CD2-CE 4.47Å; L584-M588 HydrophobicContact CG-CE 3.91Å; L584-M588 HydrophobicContact CG-CG 4.49Å; L584-M588 HydrophobicContact CG-SD 4.23Å; L584-M588 WeakPolarHBondContact O-CB 3.48Å; L584-M588 VanDerWaalsContact O-CG 3.28Å; L584-M588 WeakPolarHBondContact O-CG 3.47Å; L584-M588 PolarHBondContact O-N 3.2Å; L585-M588 HydrophobicContact CD1-CE 4.48Å; L585-M588 PolarHBondContact O-N 2.94Å; R586-M588 VanDerWaalsContact C-N 3.32Å; R586-M588 PolarHBondContact O-N 3.39Å; M588-S591 CarbonylContact O-C 3.56Å; M588-S591 PolarHBondContact O-N 3.03Å; M588-N592 PolarHBondContact O-N 2.89Å; M588-A593 HydrophobicContact CB-CB 3.74Å; M588-A593 HydrophobicContact CG-CB 4.22Å; M588-A593 VanDerWaalsContact O-CB 3.31Å; M588-A593 WeakPolarHBondContact O-CB 3.33Å; M588-A593 PolarHBondContact O-N 3.11Å; M588-D597 HydrophobicContact SD-CB 4.46Å; M588-L598 HydrophobicContact CB-CD2 3.48Å; M588-L598 VanDerWaalsContact CB-CD2 3.48Å; M588-L598 HydrophobicContact CE-CD2 3.64Å; M588-L598 HydrophobicContact CG-CD2 4.35Å; M588-L598 HydrophobicContact SD-CD2 4.03Å; M588-I601 HydrophobicContact CE-CG2 3.69Å
589L93.7Very high93.3Very high6 Ų638.4 Ų38.43%0.03122%0.215CC..Hα-helixtrans-63.7-46.1178.2-70.4172.2000111.4L159 R163 V495 L499 L585 R586 S591 N592 L598L159-L589 HydrophobicContact CD1-CB 3.91Å; L159-L589 HydrophobicContact CD1-CD2 3.77Å; L159-L589 HydrophobicContact CD1-CG 4.27Å; L159-L589 HydrophobicContact CD2-CB 4.1Å; R163-L589 HydrophobicContact CB-CD2 4.48Å; R163-L589 HydrophobicContact CG-CD2 3.79Å; V495-L589 HydrophobicContact CG1-CD1 3.46Å; V495-L589 VanDerWaalsContact CG1-CD1 3.46Å; L499-L589 HydrophobicContact CD1-CD1 4.29Å; L585-L589 HydrophobicContact CD1-CD1 3.88Å; L585-L589 HydrophobicContact CD1-CD2 4.23Å; L585-L589 HydrophobicContact CD1-CG 3.83Å; L585-L589 HydrophobicContact CD2-CD1 4.41Å; L585-L589 HydrophobicContact CG-CD1 3.76Å; L585-L589 HydrophobicContact CG-CG 4.18Å; L585-L589 WeakPolarHBondContact O-CB 3.17Å; L585-L589 VanDerWaalsContact O-CG 3.24Å; L585-L589 WeakPolarHBondContact O-CG 3.44Å; L585-L589 PolarHBondContact O-N 2.88Å; R586-L589 PolarHBondContact O-N 2.86Å; L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 3.32Å; L589-N592 PolarHBondContact O-N 3.05Å; L589-L598 HydrophobicContact CD2-CD1 4.11Å; L589-L598 HydrophobicContact CD2-CD2 4.4Å
590V91.8Very high93Very high0 Ų040.8 Ų40.80%023%0.226CC..Hα-helixtrans-66.4-30.51761780000111.2V4 V64 I66 L72 Y157 R586 N592V4-V590 HydrophobicContact CG2-CG2 3.58Å; V64-V590 HydrophobicContact CB-CG1 4.46Å; V64-V590 HydrophobicContact CG1-CB 4.32Å; V64-V590 HydrophobicContact CG1-CG1 3.5Å; V64-V590 HydrophobicContact CG1-CG2 3.77Å; I66-V590 HydrophobicContact CD1-CG1 3.68Å; I66-V590 HydrophobicContact CG1-CB 4.38Å; I66-V590 HydrophobicContact CG1-CG1 3.48Å; I66-V590 VanDerWaalsContact CG1-CG1 3.48Å; L72-V590 HydrophobicContact CD1-CG1 4.28Å; Y157-V590 PolarHBondContact OH-O 2.66Å; R586-V590 WeakPolarHBondContact O-CG2 3.32Å; R586-V590 PolarHBondContact O-N 3.47Å; V590-N592 PolarHBondContact O-N 2.96Å
591S90.8Very high92.9Very high62 Ų6235.8 Ų35.843%0.43420%0.203SC..THydrogen-bonded Turntrans-84.78.1177.7-54.90000113.9A587 M588 L589 A593A587-S591 VanDerWaalsContact O-CB 3.27Å; A587-S591 WeakPolarHBondContact O-CB 3.49Å; A587-S591 PolarHBondContact O-N 2.87Å; A587-S591 PolarHBondContact O-OG 3.3Å; M588-S591 CarbonylContact O-C 3.56Å; M588-S591 PolarHBondContact O-N 3.03Å; L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 3.32Å; S591-A593 VanDerWaalsContact C-N 3.25Å; S591-A593 PolarHBondContact O-N 3.39Å
592N91.1Very high92.7Very high63 Ų6335.4 Ų35.434%0.33720%0.2SC..THydrogen-bonded Turntrans51.740.3-173.4-162.327.1000113.9Y157 M588 L589 V590Y157-N592 WeakPolarHBondContact CB-ND2 3.4Å; Y157-N592 HydrophobicContact CD1-CB 4.29Å; Y157-N592 HydrophobicContact CD2-CB 3.47Å; Y157-N592 VanDerWaalsContact CD2-CB 3.47Å; Y157-N592 HydrophobicContact CE1-CB 4.37Å; Y157-N592 HydrophobicContact CE2-CB 3.56Å; Y157-N592 HydrophobicContact CG-CB 3.86Å; M588-N592 PolarHBondContact O-N 2.89Å; L589-N592 PolarHBondContact O-N 3.05Å; V590-N592 PolarHBondContact O-N 2.96Å
593A92.8Very high92.3Very high14 Ų1440.1 Ų40.112%0.11622%0.218CC..  trans-58.7142.1-179.500000111R163 M588 S591 D597 L598R163-A593 PolarHBondContact NH2-O 3.2Å; M588-A593 HydrophobicContact CB-CB 3.74Å; M588-A593 HydrophobicContact CG-CB 4.22Å; M588-A593 VanDerWaalsContact O-CB 3.31Å; M588-A593 WeakPolarHBondContact O-CB 3.33Å; M588-A593 PolarHBondContact O-N 3.11Å; S591-A593 VanDerWaalsContact C-N 3.25Å; S591-A593 PolarHBondContact O-N 3.39Å; A593-D597 HydrophobicContact CB-CB 4.24Å; A593-L598 HydrophobicContact CB-CD2 4.34Å
594P91.5Very high91.9Very high66 Ų6638.1 Ų38.143%0.42921%0.208SC..  trans-61.6153.7174.328.4-35.2000110.3N596 D597 L598P594-N596 PolarHBondContact O-N 2.9Å; P594-D597 VanDerWaalsContact CD-OD2 3.26Å; P594-D597 WeakPolarHBondContact CD-OD2 3.29Å; P594-D597 HydrophobicContact CG-CB 4.23Å; P594-D597 VanDerWaalsContact CG-OD2 3.24Å; P594-D597 WeakPolarHBondContact CG-OD2 3.33Å; P594-D597 PolarHBondContact O-N 3.47Å; P594-L598 PolarHBondContact O-N 3.48Å
595I88.3Confident91.3Very high30 Ų3037.7 Ų37.715%0.15421%0.209CC..Hα-helixtrans-56-28.5-178.8-167.763.3000112.8P166 F167 D597 L598 L599 V631P166-I595 HydrophobicContact CB-CD1 4.38Å; P166-I595 HydrophobicContact CB-CG1 4.39Å; P166-I595 HydrophobicContact CG-CD1 4.2Å; P166-I595 HydrophobicContact CG-CG1 4.43Å; F167-I595 HydrophobicContact CD2-CD1 4.39Å; F167-I595 HydrophobicContact CE1-CD1 4.33Å; F167-I595 HydrophobicContact CE2-CD1 3.46Å; F167-I595 VanDerWaalsContact CE2-CD1 3.46Å; F167-I595 HydrophobicContact CE2-CG1 4.48Å; F167-I595 HydrophobicContact CZ-CD1 3.43Å; F167-I595 VanDerWaalsContact CZ-CD1 3.43Å; F167-I595 HydrophobicContact CZ-CG1 4.01Å; I595-D597 VanDerWaalsContact C-N 3.31Å; I595-D597 PolarHBondContact O-N 3.32Å; I595-L598 HydrophobicContact CD1-CB 4.5Å; I595-L598 HydrophobicContact CD1-CD1 4.1Å; I595-L598 PolarHBondContact O-N 3.23Å; I595-L599 PolarHBondContact O-N 2.86Å; I595-V631 HydrophobicContact CG1-CG1 4.01Å
596N89Confident90.4Very high65 Ų6541.2 Ų41.235%0.34822%0.224SC..Hα-helixtrans-66.4-32.7178.5-63.5-7.6000112.5P594 L599 L632P594-N596 PolarHBondContact O-N 2.9Å; N596-L599 WeakPolarHBondContact O-CB 3.39Å; N596-L632 HydrophobicContact CB-CD2 3.92Å; N596-L632 VanDerWaalsContact CG-CD2 3.4Å; N596-L632 WeakPolarHBondContact OD1-CD2 3.19Å
597D92.5Very high89.5Confident81 Ų8146.8 Ų46.843%0.43326%0.256SS..Hα-helixtrans-78.9-35.4178-65.1-8.1000110.1M588 A593 P594 I595 L599 V600M588-D597 HydrophobicContact SD-CB 4.46Å; A593-D597 HydrophobicContact CB-CB 4.24Å; P594-D597 VanDerWaalsContact CD-OD2 3.26Å; P594-D597 WeakPolarHBondContact CD-OD2 3.29Å; P594-D597 HydrophobicContact CG-CB 4.23Å; P594-D597 VanDerWaalsContact CG-OD2 3.24Å; P594-D597 WeakPolarHBondContact CG-OD2 3.33Å; P594-D597 PolarHBondContact O-N 3.47Å; I595-D597 VanDerWaalsContact C-N 3.31Å; I595-D597 PolarHBondContact O-N 3.32Å; D597-L599 PolarHBondContact O-N 2.88Å; D597-L599 VanDerWaalsContact O-N 3.13Å; D597-V600 WeakPolarHBondContact O-CB 3.5Å; D597-V600 VanDerWaalsContact O-CG2 3.26Å; D597-V600 WeakPolarHBondContact O-CG2 3.25Å; D597-V600 PolarHBondContact O-N 2.67Å
598L92.8Very high88.7Confident1 Ų149.8 Ų49.81%0.00526%0.262CS..Hα-helixtrans-60.1-21.5173.1-60.5-176.7000112.8R163 L164 F167 L585 M588 L589 A593 P594 I595 V600 I601R163-L598 HydrophobicContact CG-CD1 4.29Å; L164-L598 HydrophobicContact CD2-CD1 4.12Å; F167-L598 HydrophobicContact CE2-CB 4.1Å; F167-L598 HydrophobicContact CZ-CB 3.81Å; L585-L598 HydrophobicContact CD1-CD2 4.02Å; M588-L598 HydrophobicContact CB-CD2 3.48Å; M588-L598 VanDerWaalsContact CB-CD2 3.48Å; M588-L598 HydrophobicContact CE-CD2 3.64Å; M588-L598 HydrophobicContact CG-CD2 4.35Å; M588-L598 HydrophobicContact SD-CD2 4.03Å; L589-L598 HydrophobicContact CD2-CD1 4.11Å; L589-L598 HydrophobicContact CD2-CD2 4.4Å; A593-L598 HydrophobicContact CB-CD2 4.34Å; P594-L598 PolarHBondContact O-N 3.48Å; I595-L598 HydrophobicContact CD1-CB 4.5Å; I595-L598 HydrophobicContact CD1-CD1 4.1Å; I595-L598 PolarHBondContact O-N 3.23Å; L598-V600 PolarHBondContact O-N 2.83Å; L598-V600 VanDerWaalsContact O-N 3.14Å; L598-I601 WeakPolarHBondContact O-CG1 3.34Å; L598-I601 PolarHBondContact O-N 3.24Å
599L91.4Very high88Confident8 Ų848.9 Ų48.94%0.04226%0.258CS..G310 helixtrans-59.2-24173.9-79163000113.3F167 I595 N596 D597 I601 F602 R603 L628 V631 L632F167-L599 HydrophobicContact CD1-CD2 4.04Å; F167-L599 HydrophobicContact CE1-CD2 3.45Å; F167-L599 VanDerWaalsContact CE1-CD2 3.45Å; F167-L599 HydrophobicContact CE1-CG 3.77Å; F167-L599 HydrophobicContact CZ-CG 4.43Å; I595-L599 PolarHBondContact O-N 2.86Å; N596-L599 WeakPolarHBondContact O-CB 3.39Å; D597-L599 PolarHBondContact O-N 2.88Å; D597-L599 VanDerWaalsContact O-N 3.13Å; L599-I601 PolarHBondContact O-N 3.48Å; L599-F602 CarbonylContact O-C 3.58Å; L599-F602 WeakPolarHBondContact O-CA 3.27Å; L599-F602 PolarHBondContact O-N 3.4Å; L599-R603 PolarHBondContact O-N 3.08Å; L599-L628 HydrophobicContact CD2-CB 4.06Å; L599-L628 HydrophobicContact CD2-CD2 4.41Å; L599-V631 HydrophobicContact CD2-CB 4.45Å; L599-L632 HydrophobicContact CD1-CD1 4.12Å; L599-L632 HydrophobicContact CD1-CD2 3.23Å; L599-L632 HydrophobicContact CD1-CG 3.59Å
600V92.1Very high87.4Confident65 Ų6549.7 Ų49.739%0.39426%0.263SS..G310 helixtrans-58.3-36-177.5172.50000111.7L584 D597 L598 F602 R603L584-V600 HydrophobicContact CD2-CG1 3.95Å; D597-V600 WeakPolarHBondContact O-CB 3.5Å; D597-V600 VanDerWaalsContact O-CG2 3.26Å; D597-V600 WeakPolarHBondContact O-CG2 3.25Å; D597-V600 PolarHBondContact O-N 2.67Å; L598-V600 PolarHBondContact O-N 2.83Å; L598-V600 VanDerWaalsContact O-N 3.14Å; V600-F602 PolarHBondContact O-N 3.45Å; V600-R603 PolarHBondContact O-N 3.21Å; V600-R603 VanDerWaalsContact O-N 3.1Å
601I93.5Very high86.9Confident3 Ų349.7 Ų49.72%0.01526%0.263CS..G310 helixtrans-71.1-14.1178.158.7141.4000113.5W406 Q410 F498 L584 L585 M588 L598 L599W406-I601 PolarHBondContact NE1-O 2.83Å; W406-I601 VanDerWaalsContact NE1-O 3.17Å; Q410-I601 PolarHBondContact NE2-O 2.76Å; F498-I601 HydrophobicContact CE1-CD1 4.23Å; L584-I601 HydrophobicContact CD2-CG2 4.19Å; L584-I601 HydrophobicContact CG-CG2 4.37Å; L585-I601 HydrophobicContact CB-CD1 4.41Å; L585-I601 HydrophobicContact CB-CG2 4.21Å; L585-I601 HydrophobicContact CD1-CD1 3.83Å; L585-I601 HydrophobicContact CD1-CG1 4.48Å; L585-I601 HydrophobicContact CD2-CD1 3.92Å; L585-I601 HydrophobicContact CG-CD1 4.26Å; M588-I601 HydrophobicContact CE-CG2 3.69Å; L598-I601 WeakPolarHBondContact O-CG1 3.34Å; L598-I601 PolarHBondContact O-N 3.24Å; L599-I601 PolarHBondContact O-N 3.48Å
602F92.9Very high86.7Confident2 Ų247.5 Ų47.51%0.00925%0.246CC..G310 helixtrans-104.620.7173.2-62.4-85.2000111.7F167 L402 R405 W406 A409 L599 V600 L628F167-F602 HydrophobicContact CB-CE1 4.48Å; F167-F602 HydrophobicContact CB-CE2 4.06Å; F167-F602 HydrophobicContact CB-CZ 3.98Å; F167-F602 AromaticContact CD1-CD2 3.86Å; F167-F602 HydrophobicContact CD1-CD2 3.86Å; F167-F602 AromaticContact CD1-CE2 3.88Å; F167-F602 HydrophobicContact CD1-CE2 3.88Å; F167-F602 HydrophobicContact CD2-CD2 4.2Å; F167-F602 AromaticContact CD2-CE2 3.41Å; F167-F602 HydrophobicContact CD2-CE2 3.41Å; F167-F602 VanDerWaalsContact CD2-CE2 3.41Å; F167-F602 AromaticContact CD2-CZ 3.97Å; F167-F602 HydrophobicContact CD2-CZ 3.97Å; F167-F602 HydrophobicContact CE1-CD2 4.04Å; F167-F602 HydrophobicContact CE1-CE2 4.2Å; F167-F602 HydrophobicContact CE2-CD2 4.33Å; F167-F602 AromaticContact CE2-CE2 3.74Å; F167-F602 HydrophobicContact CE2-CE2 3.74Å; F167-F602 AromaticContact CG-CD2 3.97Å; F167-F602 HydrophobicContact CG-CD2 3.97Å; F167-F602 AromaticContact CG-CE2 3.49Å; F167-F602 HydrophobicContact CG-CE2 3.49Å; F167-F602 VanDerWaalsContact CG-CE2 3.49Å; F167-F602 AromaticContact CG-CZ 3.93Å; F167-F602 HydrophobicContact CG-CZ 3.93Å; F167-F602 HydrophobicContact CZ-CD2 4.25Å; F167-F602 HydrophobicContact CZ-CE2 4.13Å; L402-F602 HydrophobicContact CD2-CZ 4.39Å; R405-F602 HydrophobicContact CB-CE1 4.34Å; R405-F602 HydrophobicContact CG-CD1 4.27Å; R405-F602 HydrophobicContact CG-CE1 4.11Å; W406-F602 HydrophobicContact CB-CD1 4.22Å; W406-F602 HydrophobicContact CB-CE1 3.9Å; A409-F602 HydrophobicContact CB-CB 3.95Å; A409-F602 HydrophobicContact CB-CD1 4.15Å; A409-F602 WeakPolarHBondContact CB-O 3.37Å; L599-F602 CarbonylContact O-C 3.58Å; L599-F602 WeakPolarHBondContact O-CA 3.27Å; L599-F602 PolarHBondContact O-N 3.4Å; V600-F602 PolarHBondContact O-N 3.45Å; F602-L628 HydrophobicContact CB-CD1 3.62Å; F602-L628 HydrophobicContact CB-CD2 4.03Å; F602-L628 HydrophobicContact CB-CG 4.47Å; F602-L628 HydrophobicContact CG-CD2 4.23Å; F602-L628 VanDerWaalsContact O-CD1 3.26Å; F602-L628 WeakPolarHBondContact O-CD1 3.33Å
603R87.4Confident86.4Confident142 Ų14244.5 Ų44.554%0.53623%0.23SC..SBendtrans-104137.6171.6-71.3-177.6178.9163.81.7110.2Q410 L599 V600Q410-R603 PolarHBondContact NE2-O 3.41Å; Q410-R603 PolarHBondContact OE1-O 3.41Å; L599-R603 PolarHBondContact O-N 3.08Å; V600-R603 PolarHBondContact O-N 3.21Å; V600-R603 VanDerWaalsContact O-N 3.1Å
604P85.7Confident86.2Confident22 Ų2246.1 Ų46.114%0.14324%0.237CC..  trans-71154.9174.934.2-40.1000111A409 F606 W695A409-P604 WeakPolarHBondContact O-CD 3.32Å; P604-F606 HydrophobicContact CB-CZ 4.36Å; P604-F606 HydrophobicContact CG-CD2 4.46Å; P604-F606 HydrophobicContact CG-CE1 4.03Å; P604-F606 HydrophobicContact CG-CE2 3.68Å; P604-F606 HydrophobicContact CG-CZ 3.41Å; P604-F606 VanDerWaalsContact CG-CZ 3.41Å; P604-W695 HydrophobicContact CB-CH2 3.77Å; P604-W695 HydrophobicContact CB-CZ2 3.65Å; P604-W695 HydrophobicContact CG-CD2 4.46Å; P604-W695 HydrophobicContact CG-CH2 4.01Å; P604-W695 HydrophobicContact CG-CZ2 3.46Å; P604-W695 VanDerWaalsContact CG-CZ2 3.46Å
605V82.1Confident86Confident69 Ų6943.3 Ų43.342%0.41822%0.219SC..  trans-95.6111.5172.9-177.50000109.8L577 N607L577-V605 HydrophobicContact CD2-CG2 3.8Å; V605-N607 HydrophobicContact CG1-CB 4.16Å
606F77.9Confident85.8Confident74 Ų7444.2 Ų44.233%0.32522%0.222SC..G310 helixtrans-83.7-6.9-178.4-65.5-67.7000115.1P604 K608 I609 V612 W695P604-F606 HydrophobicContact CB-CZ 4.36Å; P604-F606 HydrophobicContact CG-CD2 4.46Å; P604-F606 HydrophobicContact CG-CE1 4.03Å; P604-F606 HydrophobicContact CG-CE2 3.68Å; P604-F606 HydrophobicContact CG-CZ 3.41Å; P604-F606 VanDerWaalsContact CG-CZ 3.41Å; F606-K608 PolarHBondContact O-N 3.14Å; F606-K608 VanDerWaalsContact O-N 3.11Å; F606-I609 HydrophobicContact CD1-CD1 3.56Å; F606-I609 HydrophobicContact CE1-CD1 4.15Å; F606-I609 HydrophobicContact CG-CD1 4.48Å; F606-I609 PolarHBondContact O-N 3.24Å; F606-V612 HydrophobicContact CD1-CG1 4.5Å; F606-V612 HydrophobicContact CD1-CG2 3.65Å; F606-V612 HydrophobicContact CE1-CG1 4.08Å; F606-V612 HydrophobicContact CE1-CG2 4.01Å; F606-V612 HydrophobicContact CG-CG2 4.49Å; F606-W695 HydrophobicContact CE1-CD2 4.14Å; F606-W695 HydrophobicContact CE1-CE3 4.01Å; F606-W695 HydrophobicContact CE1-CG 4.49Å; F606-W695 HydrophobicContact CE1-CZ3 4.44Å; F606-W695 HydrophobicContact CZ-CD2 4.04Å; F606-W695 HydrophobicContact CZ-CE3 4.38Å; F606-W695 HydrophobicContact CZ-CG 4.1Å
607N75.4Confident85.5Confident149 Ų14943.9 Ų43.980%0.79723%0.228SC*.G310 helixtrans-61.6-25.4-173.2-65.55.7000114.3V605V605-N607 HydrophobicContact CG1-CB 4.16Å
608K74.7Confident85Confident100 Ų10044.9 Ų44.944%0.43523%0.233SC..G310 helixtrans-103.79.6178.8-60.1-172.3-173.2-179.80113.3D573 F606D573-K608 IonicContact OD1-NZ 3.26Å; D573-K608 PolarHBondContact OD1-NZ 2.89Å; F606-K608 PolarHBondContact O-N 3.14Å; F606-K608 VanDerWaalsContact O-N 3.11Å
609I79.8Confident84.6Confident5 Ų545.5 Ų45.53%0.02624%0.236CC..  trans-100.8137.2-176.7-68.4169.1000109.2F606 I611 V612 A697 N777F606-I609 HydrophobicContact CD1-CD1 3.56Å; F606-I609 HydrophobicContact CE1-CD1 4.15Å; F606-I609 HydrophobicContact CG-CD1 4.48Å; F606-I609 PolarHBondContact O-N 3.24Å; I609-I611 VanDerWaalsContact CG2-O 3.28Å; I609-I611 WeakPolarHBondContact CG2-O 3.49Å; I609-V612 HydrophobicContact CB-CG2 4.44Å; I609-V612 HydrophobicContact CG2-CG2 3.6Å; I609-A697 HydrophobicContact CB-CB 4.44Å; I609-A697 HydrophobicContact CD1-CB 3.48Å; I609-A697 VanDerWaalsContact CD1-CB 3.48Å; I609-A697 HydrophobicContact CG1-CB 4.07Å; I609-A697 HydrophobicContact CG2-CB 3.57Å; I609-N777 PolarHBondContact O-ND2 3.26Å
610D82.3Confident84.1Confident23 Ų2345.7 Ų45.712%0.12324%0.238CC..SBendtrans-88.6-45.5-176.4-56.6-65.4000111.7L698 R699 W700 N777D610-L698 PolarHBondContact N-O 2.9Å; D610-R699 VanDerWaalsContact OD2-CA 3.28Å; D610-R699 WeakPolarHBondContact OD2-CA 3.5Å; D610-W700 VanDerWaalsContact CG-CD1 3.48Å; D610-W700 PolarHBondContact OD2-N 3.35Å; D610-N777 PolarHBondContact O-N 3.32Å
611I81.5Confident83.6Confident0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-127.1131.6-179.5-36.9-165.7000109.8I609 L613 F684 A697 L698 L758 L762 I774 Y776I609-I611 VanDerWaalsContact CG2-O 3.28Å; I609-I611 WeakPolarHBondContact CG2-O 3.49Å; I611-L613 HydrophobicContact CG2-CD2 3.88Å; I611-F684 HydrophobicContact CD1-CE1 4.16Å; I611-F684 HydrophobicContact CD1-CZ 4.33Å; I611-A697 CarbonylContact O-C 3.41Å; I611-A697 WeakPolarHBondContact O-CA 3.39Å; I611-L698 HydrophobicContact CB-CB 4.07Å; I611-L698 HydrophobicContact CB-CD1 4.38Å; I611-L698 HydrophobicContact CB-CG 4.48Å; I611-L698 HydrophobicContact CD1-CD1 4.39Å; I611-L698 HydrophobicContact CG1-CB 4.34Å; I611-L698 PolarHBondContact N-O 3.16Å; I611-L698 PolarHBondContact O-N 3.14Å; I611-L758 HydrophobicContact CD1-CD2 3.77Å; I611-L758 HydrophobicContact CD1-CG 4.47Å; I611-L762 HydrophobicContact CD1-CD1 4.42Å; I611-L762 HydrophobicContact CG2-CD1 4.47Å; I611-I774 HydrophobicContact CG2-CG2 3.57Å; I611-Y776 HydrophobicContact CD1-CD2 4.17Å; I611-Y776 HydrophobicContact CD1-CE2 4.2Å; I611-Y776 HydrophobicContact CG1-CD2 3.8Å; I611-Y776 HydrophobicContact CG1-CE2 4Å
612V85.1Confident83Confident15 Ų1546 Ų469%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-121.5117.2171.8-177.30000109.6F606 I609 W695 N775F606-V612 HydrophobicContact CD1-CG1 4.5Å; F606-V612 HydrophobicContact CD1-CG2 3.65Å; F606-V612 HydrophobicContact CE1-CG1 4.08Å; F606-V612 HydrophobicContact CE1-CG2 4.01Å; F606-V612 HydrophobicContact CG-CG2 4.49Å; I609-V612 HydrophobicContact CB-CG2 4.44Å; I609-V612 HydrophobicContact CG2-CG2 3.6Å; V612-W695 HydrophobicContact CG1-CB 4.3Å; V612-N775 HydrophobicContact CB-CB 4.28Å; V612-N775 PolarHBondContact N-O 3.13Å; V612-N775 PolarHBondContact O-N 3.49Å
613L86.2Confident82.7Confident0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-95.4121.9176.1-49.6175.8000108.5I611 L676 W695 I696 L698 L762 I770 I774I611-L613 HydrophobicContact CG2-CD2 3.88Å; L613-L676 HydrophobicContact CD1-CD1 4.36Å; L613-W695 CarbonylContact O-C 3.34Å; L613-W695 VanDerWaalsContact O-CA 3.28Å; L613-W695 WeakPolarHBondContact O-CA 3.47Å; L613-I696 HydrophobicContact CB-CB 4.27Å; L613-I696 HydrophobicContact CD1-CB 4.5Å; L613-I696 HydrophobicContact CD1-CG2 4.48Å; L613-I696 PolarHBondContact N-O 3.48Å; L613-I696 PolarHBondContact O-N 3.07Å; L613-L698 HydrophobicContact CD1-CD1 4.18Å; L613-L698 HydrophobicContact CD1-CG 4.48Å; L613-L762 HydrophobicContact CD2-CD1 4.06Å; L613-I770 HydrophobicContact CB-CD1 3.95Å; L613-I770 HydrophobicContact CB-CG1 4.3Å; L613-I770 HydrophobicContact CB-CG2 4.23Å; L613-I770 HydrophobicContact CD1-CD1 3.73Å; L613-I770 HydrophobicContact CD2-CD1 4Å; L613-I770 HydrophobicContact CG-CD1 4.07Å; L613-I774 HydrophobicContact CD2-CB 4.47Å; L613-I774 HydrophobicContact CD2-CD1 3.92Å; L613-I774 HydrophobicContact CD2-CG1 3.93Å; L613-I774 HydrophobicContact CD2-CG2 3.75Å
614N87.4Confident82.5Confident49 Ų4942.4 Ų42.426%0.26223%0.225SC..EExtended strand (participates in β ladder)trans-86.4124.7174.3-67-47.4000109.3N694 I770 D771N614-N694 WeakPolarHBondContact CA-O 3.42Å; N614-I770 CarbonylContact O-C 3.59Å; N614-I770 VanDerWaalsContact O-CA 3.23Å; N614-I770 WeakPolarHBondContact O-CA 3.46Å; N614-I770 WeakPolarHBondContact O-CG2 3.2Å; N614-D771 HydrophobicContact CB-CB 4.37Å; N614-D771 PolarHBondContact O-N 3.34Å
615V87.3Confident82.3Confident7 Ų741.8 Ų41.84%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-81.9134.2-177.4-176.30000109.9I619 V620 L669 N694 I696 F769V615-I619 HydrophobicContact CG1-CB 3.86Å; V615-I619 HydrophobicContact CG1-CD1 4.48Å; V615-I619 HydrophobicContact CG1-CG2 3.62Å; V615-V620 HydrophobicContact CB-CG2 3.74Å; V615-V620 HydrophobicContact CG1-CG2 3.71Å; V615-L669 HydrophobicContact CG1-CD1 4.26Å; V615-L669 HydrophobicContact CG2-CD1 3.97Å; V615-N694 PolarHBondContact N-O 2.99Å; V615-I696 HydrophobicContact CG2-CD1 3.86Å; V615-I696 HydrophobicContact CG2-CG1 3.85Å; V615-F769 WeakPolarHBondContact CA-O 3.46Å
616K85.4Confident82.7Confident49 Ų4939.2 Ų39.221%0.21321%0.205CC..PPolyproline II helixtrans-57142.8179.3-70.3-160.8163172.20112.2N618 I619 V620 N767 F769 I770 D771K616-N618 VanDerWaalsContact C-N 3.26Å; K616-N618 WeakPolarHBondContact CB-OD1 3.28Å; K616-N618 PolarHBondContact O-N 3.48Å; K616-N618 VanDerWaalsContact O-N 3.16Å; K616-I619 HydrophobicContact CB-CD1 4.49Å; K616-I619 PolarHBondContact O-N 3.45Å; K616-V620 WeakPolarHBondContact O-CG2 3.33Å; K616-V620 PolarHBondContact O-N 3.45Å; K616-V620 VanDerWaalsContact O-N 3.16Å; K616-N767 WeakPolarHBondContact CE-O 3.27Å; K616-N767 PolarHBondContact NZ-O 2.85Å; K616-N767 PolarHBondContact NZ-OD1 2.71Å; K616-N767 VanDerWaalsContact NZ-OD1 3.14Å; K616-F769 PolarHBondContact N-O 3.42Å; K616-I770 WeakPolarHBondContact CE-O 3.4Å; K616-D771 WeakPolarHBondContact CA-OD2 3.21Å; K616-D771 WeakPolarHBondContact CG-OD1 3.45Å
617A81.9Confident83.2Confident58 Ų5835.9 Ų35.948%0.47919%0.191SC..Hα-helixtrans-56.3-36.3-177.200000113.4I619 V620 N621A617-I619 VanDerWaalsContact C-N 3.27Å; A617-I619 PolarHBondContact O-N 3.11Å; A617-V620 PolarHBondContact O-N 2.9Å; A617-N621 WeakPolarHBondContact O-CB 3.25Å; A617-N621 PolarHBondContact O-N 3.3Å; A617-N621 PolarHBondContact O-ND2 2.76Å
618N82.7Confident83.7Confident101 Ų10129.7 Ų29.754%0.5416%0.158SC..Hα-helixtrans-59.7-34.1178.161-24000113.3K616K616-N618 VanDerWaalsContact C-N 3.26Å; K616-N618 WeakPolarHBondContact CB-OD1 3.28Å; K616-N618 PolarHBondContact O-N 3.48Å; K616-N618 VanDerWaalsContact O-N 3.16Å
619I83.6Confident83.8Confident14 Ų1429.7 Ų29.77%0.07216%0.159CC..Hα-helixtrans-80.4-49.1177.2-70.6152.8000110.7V615 K616 A617 N621 I622 P668 L669 F769V615-I619 HydrophobicContact CG1-CB 3.86Å; V615-I619 HydrophobicContact CG1-CD1 4.48Å; V615-I619 HydrophobicContact CG1-CG2 3.62Å; K616-I619 HydrophobicContact CB-CD1 4.49Å; K616-I619 PolarHBondContact O-N 3.45Å; A617-I619 VanDerWaalsContact C-N 3.27Å; A617-I619 PolarHBondContact O-N 3.11Å; I619-N621 PolarHBondContact O-N 3.14Å; I619-N621 VanDerWaalsContact O-N 3.16Å; I619-I622 WeakPolarHBondContact O-CB 3.2Å; I619-I622 PolarHBondContact O-N 3.46Å; I619-I622 VanDerWaalsContact O-N 3.16Å; I619-P668 HydrophobicContact CG1-CG 4.42Å; I619-P668 HydrophobicContact CG2-CG 4.23Å; I619-L669 HydrophobicContact CG2-CB 3.93Å; I619-F769 VanDerWaalsContact CD1-CA 3.42Å; I619-F769 HydrophobicContact CD1-CB 3.91Å; I619-F769 HydrophobicContact CD1-CD1 3.36Å; I619-F769 HydrophobicContact CD1-CE1 4.12Å; I619-F769 HydrophobicContact CD1-CG 3.85Å; I619-F769 HydrophobicContact CG1-CD1 4.34Å
620V81.1Confident83.2Confident12 Ų1229.8 Ų29.87%0.07316%0.161CC..Hα-helixtrans-57.3-34.3177.4-1790000111.2V615 K616 A617 I622 R623 Q624 N694V615-V620 HydrophobicContact CB-CG2 3.74Å; V615-V620 HydrophobicContact CG1-CG2 3.71Å; K616-V620 WeakPolarHBondContact O-CG2 3.33Å; K616-V620 PolarHBondContact O-N 3.45Å; K616-V620 VanDerWaalsContact O-N 3.16Å; A617-V620 PolarHBondContact O-N 2.9Å; V620-I622 PolarHBondContact O-N 3.25Å; V620-I622 VanDerWaalsContact O-N 3.17Å; V620-R623 PolarHBondContact O-N 3.03Å; V620-Q624 PolarHBondContact O-N 2.77Å; V620-N694 HydrophobicContact CG1-CB 4.15Å; V620-N694 HydrophobicContact CG2-CB 3.82Å
621N80.8Confident82.1Confident52 Ų5228.9 Ų28.928%0.27816%0.156SC..G310 helixtrans-61-23.9-177.7-87.4-41.7000114.2R173 A617 I619 R623 Q624R173-N621 VanDerWaalsContact NH1-CG 3.28Å; R173-N621 PolarHBondContact NH1-OD1 2.84Å; A617-N621 WeakPolarHBondContact O-CB 3.25Å; A617-N621 PolarHBondContact O-N 3.3Å; A617-N621 PolarHBondContact O-ND2 2.76Å; I619-N621 PolarHBondContact O-N 3.14Å; I619-N621 VanDerWaalsContact O-N 3.16Å; N621-R623 VanDerWaalsContact C-N 3.34Å; N621-Q624 WeakPolarHBondContact O-CB 3.43Å; N621-Q624 PolarHBondContact O-N 3.28Å; N621-Q624 PolarHBondContact OD1-OE1 2.77Å
622I82.8Confident81Confident24 Ų2431.6 Ų31.612%0.12317%0.171CC..G310 helixtrans-64.4-39.2-179.5-66.4164.3000110.9P259 I619 V620 Y666 P668P259-I622 HydrophobicContact CG-CG2 4.27Å; I619-I622 WeakPolarHBondContact O-CB 3.2Å; I619-I622 PolarHBondContact O-N 3.46Å; I619-I622 VanDerWaalsContact O-N 3.16Å; V620-I622 PolarHBondContact O-N 3.25Å; V620-I622 VanDerWaalsContact O-N 3.17Å; I622-Y666 HydrophobicContact CD1-CD1 4.32Å; I622-Y666 HydrophobicContact CD1-CE1 3.57Å; I622-Y666 HydrophobicContact CG1-CE1 4.35Å; I622-P668 HydrophobicContact CD1-CG 3.27Å
623R86.2Confident79.8Confident27 Ų2737 Ų3710%0.10219%0.193CC..G310 helixtrans-107.622.6177-67.5-178.3174.9-103.210.8112.9P259 V620 N621 S625 E626 S627 D667 R690P259-R623 HydrophobicContact CG-CG 4.04Å; V620-R623 PolarHBondContact O-N 3.03Å; N621-R623 VanDerWaalsContact C-N 3.34Å; R623-S625 PolarHBondContact O-N 2.68Å; R623-S625 VanDerWaalsContact O-N 3.11Å; R623-E626 IonicContact NH1-OE1 3.46Å; R623-E626 PolarHBondContact NH1-OE1 3.23Å; R623-E626 IonicContact NH1-OE2 2.74Å; R623-E626 PolarHBondContact NH1-OE2 2.93Å; R623-E626 VanDerWaalsContact NH1-OE2 3.07Å; R623-E626 WeakPolarHBondContact O-CB 3.04Å; R623-E626 PolarHBondContact O-N 2.94Å; R623-S627 PolarHBondContact O-N 3.24Å; R623-D667 IonicContact CZ-OD2 2.87Å; R623-D667 VanDerWaalsContact CZ-OD2 3.25Å; R623-D667 IonicContact NE-OD1 3.68Å; R623-D667 IonicContact NE-OD2 3.97Å; R623-D667 PolarHBondContact NE-OD2 3.12Å; R623-D667 IonicContact NH2-OD2 2.83Å; R623-D667 PolarHBondContact NH2-OD2 3.24Å; R623-R690 WeakPolarHBondContact CD-O 3.34Å
624Q81.7Confident78.1Confident41 Ų4140.9 Ų40.919%0.19221%0.21CC..THydrogen-bonded Turntrans-56-32.9-175.6-17377.255.500113.6V620 N621 E626 S627V620-Q624 PolarHBondContact O-N 2.77Å; N621-Q624 WeakPolarHBondContact O-CB 3.43Å; N621-Q624 PolarHBondContact O-N 3.28Å; N621-Q624 PolarHBondContact OD1-OE1 2.77Å; Q624-E626 PolarHBondContact O-N 3.38Å; Q624-S627 VanDerWaalsContact O-CB 3.29Å; Q624-S627 WeakPolarHBondContact O-CB 2.88Å; Q624-S627 PolarHBondContact O-N 2.95Å
625S82.8Confident76.3Confident9 Ų942.2 Ų42.26%0.06322%0.223CC..THydrogen-bonded Turntrans-64-26.817846.80000113H171 R623H171-S625 WeakPolarHBondContact CB-O 3Å; H171-S625 PolarHBondContact N-O 3.5Å; H171-S625 PolarHBondContact ND1-O 2.78Å; H171-S625 WeakPolarHBondContact O-CA 3.42Å; H171-S625 VanDerWaalsContact O-CB 3.25Å; H171-S625 WeakPolarHBondContact O-CB 3.41Å; R623-S625 PolarHBondContact O-N 2.68Å; R623-S625 VanDerWaalsContact O-N 3.11Å
626E89.7Confident74Confident15 Ų1550 Ų507%0.0726%0.259CS..THydrogen-bonded Turntrans-85.4-20.2177.6-59.3176.2-159.400111.7L170 F225 R405 R623 Q624 H691L170-E626 HydrophobicContact CD2-CG 3.93Å; F225-E626 HydrophobicContact CD2-CB 3.89Å; F225-E626 HydrophobicContact CD2-CG 3.66Å; F225-E626 HydrophobicContact CE2-CB 3.59Å; F225-E626 HydrophobicContact CE2-CG 3.92Å; F225-E626 HydrophobicContact CG-CG 4Å; F225-E626 HydrophobicContact CZ-CB 3.94Å; F225-E626 HydrophobicContact CZ-CG 4.44Å; F225-E626 WeakPolarHBondContact CZ-O 3.38Å; R405-E626 PolarHBondContact NH2-O 3.23Å; R623-E626 IonicContact NH1-OE1 3.46Å; R623-E626 PolarHBondContact NH1-OE1 3.23Å; R623-E626 IonicContact NH1-OE2 2.74Å; R623-E626 PolarHBondContact NH1-OE2 2.93Å; R623-E626 VanDerWaalsContact NH1-OE2 3.07Å; R623-E626 WeakPolarHBondContact O-CB 3.04Å; R623-E626 PolarHBondContact O-N 2.94Å; Q624-E626 PolarHBondContact O-N 3.38Å; E626-H691 CarbonylContact C-O 3.57Å; E626-H691 HydrophobicContact CB-CB 4.04Å; E626-H691 IonicContact OE2-CG 3.85Å; E626-H691 IonicContact OE2-ND1 3.86Å; E626-H691 PolarHBondContact OE2-ND1 3.41Å
627S88.5Confident71.7Confident3 Ų350.8 Ų50.82%0.02127%0.265CS..  trans-62.7137.9-172.5-169.70000113.6R623 Q624 H629 G630 H691 G692R623-S627 PolarHBondContact O-N 3.24Å; Q624-S627 VanDerWaalsContact O-CB 3.29Å; Q624-S627 WeakPolarHBondContact O-CB 2.88Å; Q624-S627 PolarHBondContact O-N 2.95Å; S627-H629 PolarHBondContact O-N 3.1Å; S627-G630 PolarHBondContact O-N 2.62Å; S627-H691 WeakPolarHBondContact CA-O 3.3Å; S627-H691 PolarHBondContact N-O 3.4Å; S627-G692 WeakPolarHBondContact CB-O 3.21Å; S627-G692 PolarHBondContact OG-O 2.78Å
628L86.7Confident69.4Low20 Ų2053.2 Ų53.211%0.10529%0.285CS..THydrogen-bonded Turntrans-59-28.9174.5-67.7166.8000113F167 A409 L599 F602 G630 V631F167-L628 HydrophobicContact CD1-CD2 3.99Å; A409-L628 HydrophobicContact CB-CD1 3.94Å; L599-L628 HydrophobicContact CD2-CB 4.06Å; L599-L628 HydrophobicContact CD2-CD2 4.41Å; F602-L628 HydrophobicContact CB-CD1 3.62Å; F602-L628 HydrophobicContact CB-CD2 4.03Å; F602-L628 HydrophobicContact CB-CG 4.47Å; F602-L628 HydrophobicContact CG-CD2 4.23Å; F602-L628 VanDerWaalsContact O-CD1 3.26Å; F602-L628 WeakPolarHBondContact O-CD1 3.33Å; L628-G630 PolarHBondContact O-N 2.78Å; L628-V631 VanDerWaalsContact O-CB 3.24Å; L628-V631 WeakPolarHBondContact O-CB 3.35Å; L628-V631 VanDerWaalsContact O-CG2 3.3Å; L628-V631 WeakPolarHBondContact O-CG2 3.21Å; L628-V631 PolarHBondContact O-N 3.3Å; L628-V631 VanDerWaalsContact O-N 3.13Å
629H76.1Confident67.2Low100 Ų10051.3 Ų51.346%0.46328%0.277SS..Hα-helixtrans-65.8-23.8175.2-66.293.7000112.5S627 V631 L632S627-H629 PolarHBondContact O-N 3.1Å; H629-V631 PolarHBondContact O-N 3.28Å; H629-L632 PolarHBondContact O-N 2.83Å
630G67.1Low65Low7 Ų755.7 Ų55.77%0.07231%0.306CS..Hα-helixtrans-63.8-29.7173.600000112.8H171 S627 L628 L632 K633 K634H171-G630 PolarHBondContact CD2-O 3.11Å; S627-G630 PolarHBondContact O-N 2.62Å; L628-G630 PolarHBondContact O-N 2.78Å; G630-L632 VanDerWaalsContact C-N 3.27Å; G630-L632 PolarHBondContact O-N 3.38Å; G630-K633 PolarHBondContact O-N 3.47Å; G630-K634 PolarHBondContact O-N 3.4Å
631V59.1Low63.3Low4 Ų461.7 Ų61.72%0.02433%0.334CS..Hα-helixtrans-59.4-40.7178.7-177.40000110.6P166 F167 H171 I595 L599 L628 H629 K633 K634P166-V631 HydrophobicContact CB-CG1 3.89Å; F167-V631 HydrophobicContact CD1-CG1 4.39Å; F167-V631 HydrophobicContact CD1-CG2 4.04Å; F167-V631 HydrophobicContact CE1-CG1 4.13Å; F167-V631 HydrophobicContact CE1-CG2 4.47Å; H171-V631 PolarHBondContact CD2-N 3.47Å; H171-V631 VanDerWaalsContact CE1-CG2 3.49Å; H171-V631 WeakPolarHBondContact CE1-CG2 3.45Å; H171-V631 WeakPolarHBondContact NE2-CA 3.4Å; H171-V631 WeakPolarHBondContact NE2-CG2 3.35Å; H171-V631 PolarHBondContact NE2-N 2.82Å; I595-V631 HydrophobicContact CG1-CG1 4.01Å; L599-V631 HydrophobicContact CD2-CB 4.45Å; L628-V631 VanDerWaalsContact O-CB 3.24Å; L628-V631 WeakPolarHBondContact O-CB 3.35Å; L628-V631 VanDerWaalsContact O-CG2 3.3Å; L628-V631 WeakPolarHBondContact O-CG2 3.21Å; L628-V631 PolarHBondContact O-N 3.3Å; L628-V631 VanDerWaalsContact O-N 3.13Å; H629-V631 PolarHBondContact O-N 3.28Å; V631-K633 VanDerWaalsContact C-N 3.34Å; V631-K633 PolarHBondContact O-N 2.79Å; V631-K634 PolarHBondContact O-N 2.95Å
632L59.2Low61.7Low57 Ų5761.4 Ų61.430%0.29833%0.334SS..Hα-helixtrans-62.9-39.5179.2-64.8175.3000112.3N596 L599 H629 G630 S635N596-L632 HydrophobicContact CB-CD2 3.92Å; N596-L632 VanDerWaalsContact CG-CD2 3.4Å; N596-L632 WeakPolarHBondContact OD1-CD2 3.19Å; L599-L632 HydrophobicContact CD1-CD1 4.12Å; L599-L632 HydrophobicContact CD1-CD2 3.23Å; L599-L632 HydrophobicContact CD1-CG 3.59Å; H629-L632 PolarHBondContact O-N 2.83Å; G630-L632 VanDerWaalsContact C-N 3.27Å; G630-L632 PolarHBondContact O-N 3.38Å; L632-S635 PolarHBondContact O-N 3.1Å; L632-S635 PolarHBondContact O-OG 3.43Å
633K59.4Low60.1Low128 Ų12863.3 Ų63.356%0.55734%0.344SS*.Hα-helixtrans-71.3-29.7-177.4-68.5-175.5179178.80112.7G630 V631 S635 Q636 L637G630-K633 PolarHBondContact O-N 3.47Å; V631-K633 VanDerWaalsContact C-N 3.34Å; V631-K633 PolarHBondContact O-N 2.79Å; K633-S635 VanDerWaalsContact C-N 3.28Å; K633-S635 PolarHBondContact O-N 3.24Å; K633-Q636 PolarHBondContact O-N 3Å; K633-L637 PolarHBondContact O-N 2.67Å
634K51.4Low58.5Low81 Ų8165.7 Ų65.735%0.35236%0.359SS..Hα-helixtrans-59-38.6174-88-179.7-179.2161.70112S169 L170 H171 G630 V631 Q636 L637S169-K634 VanDerWaalsContact CB-NZ 3.33Å; L170-K634 WeakPolarHBondContact O-CE 3.42Å; L170-K634 PolarHBondContact O-NZ 3Å; H171-K634 VanDerWaalsContact CD2-CD 3.41Å; H171-K634 WeakPolarHBondContact CD2-CD 3.49Å; H171-K634 WeakPolarHBondContact CD2-CE 3.28Å; H171-K634 PolarHBondContact CD2-NZ 2.98Å; H171-K634 VanDerWaalsContact CD2-NZ 3.34Å; H171-K634 PolarHBondContact NE2-NZ 3.14Å; G630-K634 PolarHBondContact O-N 3.4Å; V631-K634 PolarHBondContact O-N 2.95Å; K634-Q636 PolarHBondContact O-N 3.01Å; K634-Q636 VanDerWaalsContact O-N 3.1Å; K634-L637 CarbonylContact O-C 3.57Å; K634-L637 PolarHBondContact O-N 2.99Å
635S47.9Very low57.2Low77 Ų7764.8 Ų64.854%0.53836%0.355SS..THydrogen-bonded Turntrans-60.4-25.1-179.576.30000113.5L632 K633L632-S635 PolarHBondContact O-N 3.1Å; L632-S635 PolarHBondContact O-OG 3.43Å; K633-S635 VanDerWaalsContact C-N 3.28Å; K633-S635 PolarHBondContact O-N 3.24Å
636Q40.9Very low56.1Low170 Ų17070.9 Ų70.979%0.79439%0.388SS*.THydrogen-bonded Turntrans-96-13.5178.6-64.1-179.5-8.200113.3K633 K634K633-Q636 PolarHBondContact O-N 3Å; K634-Q636 PolarHBondContact O-N 3.01Å; K634-Q636 VanDerWaalsContact O-N 3.1Å
637L36.5Very low54.9Low66 Ų6676 Ų7635%0.34642%0.416SS..  trans-118.996-175.7-80.7153.3000108.6K633 K634 V639K633-L637 PolarHBondContact O-N 2.67Å; K634-L637 CarbonylContact O-C 3.57Å; K634-L637 PolarHBondContact O-N 2.99Å; L637-V639 HydrophobicContact CB-CG2 4.35Å; L637-V639 HydrophobicContact CD2-CG2 4.22Å; L637-V639 PolarHBondContact O-N 3.08Å
638A33.3Very low54.2Low110 Ų11077.1 Ų77.191%0.90942%0.421SS*.  trans-68.141.7172.300000113
639V35.8Very low53.6Low60 Ų6078.9 Ų78.936%0.36443%0.433SS..  trans-90.3130.5177.9-175.60000107.8L637L637-V639 HydrophobicContact CB-CG2 4.35Å; L637-V639 HydrophobicContact CD2-CG2 4.22Å; L637-V639 PolarHBondContact O-N 3.08Å
640P37.6Very low53.5Low106 Ų10678 Ų7869%0.68844%0.435SS*.  trans-56.6168.8176.7-21.232.1000112.7
641E46.3Very low54Low138 Ų13883.4 Ų83.465%0.64546%0.459SS*.SBendtrans-37.4156.4173.2-66.7165.2173.300113R172 N643R172-E641 PolarHBondContact NH2-O 3.26Å; E641-N643 PolarHBondContact O-N 3.21Å
642T46.4Very low54.9Low46 Ų4684.2 Ų84.228%0.28246%0.462SS..SBendtrans-39.1138.5162.4440000109.3N644T642-N644 PolarHBondContact O-N 3.1Å
643N48.7Very low55.8Low65 Ų6586.7 Ų86.735%0.34848%0.481SS..  trans-43.4122.6176.5-69.41.7000108R172 E641 D645R172-N643 PolarHBondContact NH2-OD1 3.35Å; E641-N643 PolarHBondContact O-N 3.21Å; N643-D645 PolarHBondContact O-N 3.2Å
644N52.9Low56.6Low77 Ų7784.2 Ų84.241%0.41247%0.474SS..  trans-58.9131.4-177-76.1-23.9000106.3T642 N646 D647T642-N644 PolarHBondContact O-N 3.1Å; N644-N646 HydrophobicContact CB-CB 3.98Å; N644-N646 PolarHBondContact O-N 3.18Å; N644-D647 PolarHBondContact O-N 2.74Å
645D53.9Low58.1Low21 Ų2182.2 Ų82.211%0.11247%0.47CS..G310 helixtrans-48.8-20.6172.3-176.820000111.7S183 R186 N643 D647 L648S183-D645 VanDerWaalsContact CB-OD2 3.31Å; S183-D645 WeakPolarHBondContact CB-OD2 3.49Å; S183-D645 PolarHBondContact OG-OD2 2.65Å; R186-D645 WeakPolarHBondContact CB-OD2 3.48Å; R186-D645 WeakPolarHBondContact CD-OD1 3.46Å; R186-D645 VanDerWaalsContact CD-OD2 3.24Å; R186-D645 WeakPolarHBondContact CD-OD2 3.35Å; R186-D645 IonicContact CZ-OD1 2.66Å; R186-D645 IonicContact NE-OD1 3.86Å; R186-D645 IonicContact NH1-OD1 3.88Å; R186-D645 PolarHBondContact NH1-OD1 2.77Å; N643-D645 PolarHBondContact O-N 3.2Å; D645-D647 PolarHBondContact O-N 3Å; D645-L648 WeakPolarHBondContact O-CB 3.24Å; D645-L648 PolarHBondContact O-N 3.22Å
646N60.2Low59.9Low138 Ų13879.9 Ų79.974%0.73846%0.458SS*.G310 helixtrans-52.1-29169.4-57.4-14.9000114.9N644 L648N644-N646 HydrophobicContact CB-CB 3.98Å; N644-N646 PolarHBondContact O-N 3.18Å; N646-L648 VanDerWaalsContact C-N 3.31Å
647D64.7Low62.1Low123 Ų12373.3 Ų73.366%0.65843%0.432SS*.G310 helixtrans-82.3-12177.4-64.2-24.9000112.5N644 D645N644-D647 PolarHBondContact O-N 2.74Å; D645-D647 PolarHBondContact O-N 3Å
648L73Confident64.5Low26 Ų2682.1 Ų82.114%0.13646%0.461CS..SBendtrans-87.1144.9178.7-64.6173.6000110.3V180 L229 F231 Y245 D645 N646 T650 F652V180-L648 HydrophobicContact CB-CD1 4.24Å; V180-L648 HydrophobicContact CG1-CD1 3.49Å; V180-L648 VanDerWaalsContact CG1-CD1 3.49Å; V180-L648 HydrophobicContact CG2-CD1 4.3Å; L229-L648 HydrophobicContact CD1-CD1 3.85Å; F231-L648 HydrophobicContact CE1-CD1 4.33Å; F231-L648 HydrophobicContact CE1-CD2 4.04Å; F231-L648 HydrophobicContact CZ-CD1 3.95Å; F231-L648 HydrophobicContact CZ-CD2 4.09Å; Y245-L648 HydrophobicContact CE2-CD2 4.05Å; Y245-L648 WeakPolarHBondContact OH-CD2 3.32Å; D645-L648 WeakPolarHBondContact O-CB 3.24Å; D645-L648 PolarHBondContact O-N 3.22Å; N646-L648 VanDerWaalsContact C-N 3.31Å; L648-T650 PolarHBondContact O-N 2.78Å; L648-F652 HydrophobicContact CB-CE1 4.46Å; L648-F652 HydrophobicContact CB-CZ 4.29Å; L648-F652 HydrophobicContact CD1-CZ 4.27Å
649P74.9Confident67.2Low56 Ų5678.9 Ų78.936%0.36443%0.426SS..  trans-58.7143.7172.127.7-35.6000109.6R186 E651 F652R186-P649 VanDerWaalsContact CZ-O 3.27Å; R186-P649 PolarHBondContact NH1-O 2.95Å; R186-P649 PolarHBondContact NH2-O 3.4Å; P649-E651 PolarHBondContact O-N 3.06Å; P649-F652 HydrophobicContact CG-CD1 3.79Å; P649-F652 HydrophobicContact CG-CE1 3.64Å
650T74.5Confident69.7Low82 Ų8279.4 Ų79.450%0.50342%0.421SS..SBendtrans-55.2-34.6177.5-550000111.9R186 L648R186-T650 PolarHBondContact NH2-O 3.29Å; R186-T650 VanDerWaalsContact NH2-O 3.17Å; L648-T650 PolarHBondContact O-N 2.78Å
651E76.4Confident72.1Confident120 Ų12074.5 Ų74.556%0.56139%0.389SS*.SBendtrans-127.5140.6177.4-64.8-166.1-154.900112.2K193 P649K193-E651 IonicContact NZ-OE2 3.6Å; K193-E651 PolarHBondContact NZ-OE2 3.47Å; P649-E651 PolarHBondContact O-N 3.06Å
652F78Confident73.8Confident22 Ų2276.2 Ų76.210%0.09640%0.397CS..PPolyproline II helixtrans-94.7143168.8-57.1-57.1000111.7L229 F231 Q317 L648 P649L229-F652 HydrophobicContact CD1-CE2 4.48Å; F231-F652 HydrophobicContact CD1-CE1 4.3Å; F231-F652 HydrophobicContact CD1-CZ 4.29Å; F231-F652 AromaticContact CE1-CE1 3.8Å; F231-F652 HydrophobicContact CE1-CE1 3.8Å; F231-F652 HydrophobicContact CE1-CE2 4.19Å; F231-F652 AromaticContact CE1-CZ 3.53Å; F231-F652 HydrophobicContact CE1-CZ 3.53Å; F231-F652 HydrophobicContact CZ-CZ 4.4Å; Q317-F652 PolarHBondContact NE2-O 2.85Å; Q317-F652 VanDerWaalsContact OE1-N 3.14Å; L648-F652 HydrophobicContact CB-CE1 4.46Å; L648-F652 HydrophobicContact CB-CZ 4.29Å; L648-F652 HydrophobicContact CD1-CZ 4.27Å; P649-F652 HydrophobicContact CG-CD1 3.79Å; P649-F652 HydrophobicContact CG-CE1 3.64Å
653P78.1Confident75.6Confident109 Ų10974.3 Ų74.371%0.70839%0.387SS*.PPolyproline II helixtrans-65.9148.9168.829.9-34.4000110.4
654D77.9Confident77.5Confident75 Ų7572.8 Ų72.840%0.40138%0.376SS..PPolyproline II helixtrans-68.8130.3179.4-60.8-44.4000110.3G656D654-G656 PolarHBondContact O-N 2.97Å
655P82.5Confident79.2Confident40 Ų4069.5 Ų69.526%0.2636%0.359SS..  trans-77.70.4-173.832.9-37.7000114P232 P303 F315 Y659P232-P655 HydrophobicContact CB-CB 3.57Å; P232-P655 HydrophobicContact CG-CB 3.93Å; P303-P655 HydrophobicContact CG-CG 3.66Å; F315-P655 HydrophobicContact CD1-CG 3.97Å; F315-P655 HydrophobicContact CE1-CG 3.97Å; P655-Y659 HydrophobicContact CB-CD1 3.84Å; P655-Y659 HydrophobicContact CB-CD2 4.28Å; P655-Y659 HydrophobicContact CB-CG 3.65Å; P655-Y659 HydrophobicContact CG-CD1 3.44Å; P655-Y659 VanDerWaalsContact CG-CD1 3.44Å; P655-Y659 HydrophobicContact CG-CE1 4.24Å; P655-Y659 HydrophobicContact CG-CG 3.73Å
656G85.8Confident80.7Confident28 Ų2874 Ų7429%0.28938%0.375SS..  trans89.7146.2-173.200000112.1G301 P303 D654 R658 Y659G301-G656 CarbonylContact O-C 3.42Å; G301-G656 WeakPolarHBondContact O-CA 3.15Å; G301-G656 PolarHBondContact O-N 2.94Å; P303-G656 WeakPolarHBondContact CG-O 3.44Å; D654-G656 PolarHBondContact O-N 2.97Å; G656-R658 PolarHBondContact O-N 3.19Å; G656-Y659 WeakPolarHBondContact O-CB 3.4Å; G656-Y659 PolarHBondContact O-N 3.18Å
657A87.3Confident82Confident31 Ų3168 Ų6826%0.25634%0.344SS..THydrogen-bonded Turntrans-60.3-19.1-167.200000115.8S298 G301S298-A657 WeakPolarHBondContact O-CB 3.38Å; G301-A657 PolarHBondContact O-N 3.17Å
658R87.1Confident83.1Confident251 Ų25163 Ų6395%0.94732%0.318SS*.THydrogen-bonded Turntrans-87.2-8.1179.2-64.8-173.9-179.9-174.30.1114.1G656G656-R658 PolarHBondContact O-N 3.19Å
659Y89.1Confident83.7Confident43 Ų4362.3 Ų62.317%0.16931%0.314CS..  trans-72.4138.6-179171.3-94.6000111.2F231 P232 P303 F315 P655 G656F231-Y659 PolarHBondContact O-OH 2.82Å; P232-Y659 VanDerWaalsContact CA-CE2 3.46Å; P232-Y659 HydrophobicContact CB-CD2 4.05Å; P232-Y659 HydrophobicContact CB-CE1 4.46Å; P232-Y659 HydrophobicContact CB-CE2 3.77Å; P303-Y659 WeakPolarHBondContact CB-O 3.25Å; P303-Y659 HydrophobicContact CG-CD1 4.23Å; F315-Y659 AromaticContact CD1-CD1 3.85Å; F315-Y659 HydrophobicContact CD1-CD1 3.85Å; F315-Y659 AromaticContact CD1-CE1 3.8Å; F315-Y659 HydrophobicContact CD1-CE1 3.8Å; F315-Y659 HydrophobicContact CD2-CE1 4.26Å; F315-Y659 AromaticContact CE1-CD1 3.89Å; F315-Y659 HydrophobicContact CE1-CD1 3.89Å; F315-Y659 AromaticContact CE1-CE1 3.47Å; F315-Y659 HydrophobicContact CE1-CE1 3.47Å; F315-Y659 VanDerWaalsContact CE1-CE1 3.47Å; F315-Y659 AromaticContact CE2-CE1 3.98Å; F315-Y659 HydrophobicContact CE2-CE1 3.98Å; F315-Y659 HydrophobicContact CG-CD1 4.34Å; F315-Y659 HydrophobicContact CG-CE1 4.17Å; F315-Y659 HydrophobicContact CZ-CD1 4.41Å; F315-Y659 AromaticContact CZ-CE1 3.55Å; F315-Y659 HydrophobicContact CZ-CE1 3.55Å; P655-Y659 HydrophobicContact CB-CD1 3.84Å; P655-Y659 HydrophobicContact CB-CD2 4.28Å; P655-Y659 HydrophobicContact CB-CG 3.65Å; P655-Y659 HydrophobicContact CG-CD1 3.44Å; P655-Y659 VanDerWaalsContact CG-CD1 3.44Å; P655-Y659 HydrophobicContact CG-CE1 4.24Å; P655-Y659 HydrophobicContact CG-CG 3.73Å; G656-Y659 WeakPolarHBondContact O-CB 3.4Å; G656-Y659 PolarHBondContact O-N 3.18Å
660W89.3Confident84.3Confident71 Ų7160 Ų6027%0.26930%0.298SS..  trans-143.3141.5168.5-155.8-107.5000110.2P303 H305 D313 F315 V320 Q662 Y664P303-W660 HydrophobicContact CB-CE3 4.33Å; P303-W660 HydrophobicContact CB-CZ3 4.49Å; H305-W660 HydrophobicContact CB-CH2 3.9Å; H305-W660 HydrophobicContact CB-CZ2 4.22Å; H305-W660 HydrophobicContact CB-CZ3 4.18Å; D313-W660 HydrophobicContact CB-CH2 3.58Å; D313-W660 HydrophobicContact CB-CZ2 3.94Å; F315-W660 HydrophobicContact CB-CZ3 4.27Å; V320-W660 HydrophobicContact CG1-CH2 4.24Å; V320-W660 HydrophobicContact CG1-CZ2 4.25Å; W660-Q662 PolarHBondContact O-N 3.13Å; W660-Y664 AromaticContact CD1-CG 3.92Å; W660-Y664 AromaticContact CE2-CD1 3.92Å; W660-Y664 AromaticContact CE2-CG 3.87Å; W660-Y664 HydrophobicContact CZ2-CD1 4.19Å; W660-Y664 HydrophobicContact CZ2-CD2 4.09Å; W660-Y664 HydrophobicContact CZ2-CE1 4.01Å; W660-Y664 AromaticContact CZ2-CE2 3.94Å; W660-Y664 HydrophobicContact CZ2-CE2 3.94Å; W660-Y664 HydrophobicContact CZ2-CG 4.2Å; W660-Y664 AromaticContact CZ2-CZ 3.89Å; W660-Y664 VanDerWaalsContact NE1-CB 3.35Å; W660-Y664 AromaticContact NE1-CD1 3.05Å; W660-Y664 AromaticContact NE1-CD2 3.73Å; W660-Y664 AromaticContact NE1-CE1 3.72Å; W660-Y664 AromaticContact NE1-CG 3.04Å
661P87.2Confident84.8Confident2 Ų259.2 Ų59.21%0.01329%0.287CS..  trans-67.6130.8-18023.3-28.8000111.2S230 V260 F315 V320 G663 Y664S230-P661 WeakPolarHBondContact OG-CB 3.35Å; V260-P661 HydrophobicContact CG1-CG 4.22Å; V260-P661 HydrophobicContact CG2-CB 4.39Å; F315-P661 HydrophobicContact CD2-CG 4.06Å; F315-P661 HydrophobicContact CE2-CG 4.24Å; V320-P661 HydrophobicContact CG2-CG 3.84Å; P661-G663 VanDerWaalsContact C-N 3.25Å; P661-G663 PolarHBondContact O-N 2.92Å; P661-Y664 VanDerWaalsContact O-CB 3.23Å; P661-Y664 WeakPolarHBondContact O-CB 3.3Å; P661-Y664 PolarHBondContact O-N 2.82Å; P661-Y664 VanDerWaalsContact O-N 3.08Å
662Q82Confident85.2Confident174 Ų17453.6 Ų53.681%0.81326%0.26SS*.THydrogen-bonded Turntrans-60.6-32.3-176.8-71.6-174.8-14.400113.8W660 Y664W660-Q662 PolarHBondContact O-N 3.13Å; Q662-Y664 VanDerWaalsContact C-N 3.26Å; Q662-Y664 PolarHBondContact O-N 2.98Å
663G83.1Confident85.7Confident7 Ų752.7 Ų52.77%0.07226%0.257CS..THydrogen-bonded Turntrans-84.89.6178.900000114.4F258 V260 P661 C665 Y666F258-G663 WeakPolarHBondContact O-CA 3.44Å; V260-G663 PolarHBondContact N-O 2.85Å; P661-G663 VanDerWaalsContact C-N 3.25Å; P661-G663 PolarHBondContact O-N 2.92Å; G663-C665 PolarHBondContact O-N 3.43Å; G663-Y666 PolarHBondContact O-N 3.24Å
664Y89.6Confident85.9Confident32 Ų3248.1 Ų48.113%0.12523%0.225CC..BIsolated β-bridgetrans-57.7120.2-177.5-177.7-110000111.9V260 D313 V320 R322 H427 W660 P661 Q662 Y666V260-Y664 CarbonylContact O-C 3.29Å; V260-Y664 WeakPolarHBondContact O-CA 3.15Å; D313-Y664 VanDerWaalsContact CG-OH 3.31Å; D313-Y664 PolarHBondContact OD2-OH 2.68Å; V320-Y664 HydrophobicContact CB-CD2 4.48Å; V320-Y664 HydrophobicContact CB-CE2 4.22Å; V320-Y664 HydrophobicContact CG1-CD2 4.29Å; V320-Y664 HydrophobicContact CG1-CE2 3.67Å; V320-Y664 HydrophobicContact CG2-CD2 4.02Å; V320-Y664 HydrophobicContact CG2-CE2 4.23Å; R322-Y664 PolarHBondContact NH2-OH 3.43Å; H427-Y664 AromaticContact NE2-CE1 3.9Å; W660-Y664 AromaticContact CD1-CG 3.92Å; W660-Y664 AromaticContact CE2-CD1 3.92Å; W660-Y664 AromaticContact CE2-CG 3.87Å; W660-Y664 HydrophobicContact CZ2-CD1 4.19Å; W660-Y664 HydrophobicContact CZ2-CD2 4.09Å; W660-Y664 HydrophobicContact CZ2-CE1 4.01Å; W660-Y664 AromaticContact CZ2-CE2 3.94Å; W660-Y664 HydrophobicContact CZ2-CE2 3.94Å; W660-Y664 HydrophobicContact CZ2-CG 4.2Å; W660-Y664 AromaticContact CZ2-CZ 3.89Å; W660-Y664 VanDerWaalsContact NE1-CB 3.35Å; W660-Y664 AromaticContact NE1-CD1 3.05Å; W660-Y664 AromaticContact NE1-CD2 3.73Å; W660-Y664 AromaticContact NE1-CE1 3.72Å; W660-Y664 AromaticContact NE1-CG 3.04Å; P661-Y664 VanDerWaalsContact O-CB 3.23Å; P661-Y664 WeakPolarHBondContact O-CB 3.3Å; P661-Y664 PolarHBondContact O-N 2.82Å; P661-Y664 VanDerWaalsContact O-N 3.08Å; Q662-Y664 VanDerWaalsContact C-N 3.26Å; Q662-Y664 PolarHBondContact O-N 2.98Å; Y664-Y666 PolarHBondContact O-N 3.43Å
665C88.2Confident86Confident8 Ų845 Ų455%0.05421%0.209CC..THydrogen-bonded Turntrans50.223.9-178.3-66.30000114.4V260 G425 H427 G663 D667V260-C665 PolarHBondContact O-N 3.42Å; G425-C665 WeakPolarHBondContact CA-O 3.39Å; H427-C665 VanDerWaalsContact CD2-CB 3.48Å; H427-C665 WeakPolarHBondContact CD2-CB 3.22Å; H427-C665 WeakPolarHBondContact NE2-CB 3.44Å; H427-C665 PolarHBondContact NE2-SG 3.08Å; G663-C665 PolarHBondContact O-N 3.43Å; C665-D667 PolarHBondContact O-N 2.84Å
666Y86.9Confident85.9Confident115 Ų11543 Ų4345%0.45120%0.196SC..  trans-87.693.3-179.2-178-108.2000110.9P259 I622 G663 Y664 P668P259-Y666 WeakPolarHBondContact CB-O 3.24Å; I622-Y666 HydrophobicContact CD1-CD1 4.32Å; I622-Y666 HydrophobicContact CD1-CE1 3.57Å; I622-Y666 HydrophobicContact CG1-CE1 4.35Å; G663-Y666 PolarHBondContact O-N 3.24Å; Y664-Y666 PolarHBondContact O-N 3.43Å; Y666-P668 HydrophobicContact CE1-CG 4.36Å
667D87.3Confident85.7Confident14 Ų1442.5 Ų42.58%0.07519%0.191CC..  trans-136.886.5176.8-170.8-10.6000112.3F261 R623 C665 L669 N670 W671F261-D667 HydrophobicContact CE1-CB 4.49Å; F261-D667 HydrophobicContact CZ-CB 3.67Å; R623-D667 IonicContact CZ-OD2 2.87Å; R623-D667 VanDerWaalsContact CZ-OD2 3.25Å; R623-D667 IonicContact NE-OD1 3.68Å; R623-D667 IonicContact NE-OD2 3.97Å; R623-D667 PolarHBondContact NE-OD2 3.12Å; R623-D667 IonicContact NH2-OD2 2.83Å; R623-D667 PolarHBondContact NH2-OD2 3.24Å; C665-D667 PolarHBondContact O-N 2.84Å; D667-L669 VanDerWaalsContact C-N 3.25Å; D667-L669 PolarHBondContact O-N 2.8Å; D667-L669 PolarHBondContact OD1-N 2.93Å; D667-N670 HydrophobicContact CB-CB 4.15Å; D667-N670 VanDerWaalsContact CG-CB 3.45Å; D667-N670 PolarHBondContact O-N 3.45Å; D667-N670 PolarHBondContact OD1-N 3Å; D667-N670 WeakPolarHBondContact OD2-CB 3.08Å; D667-W671 WeakPolarHBondContact O-CB 3.23Å; D667-W671 PolarHBondContact O-N 2.99Å
668P86.3Confident85.1Confident17 Ų1743.3 Ų43.311%0.1119%0.191CC..Hα-helixtrans-66.2-25.5-17824.1-31.9000113.4I619 I622 Y666 F672 F769I619-P668 HydrophobicContact CG1-CG 4.42Å; I619-P668 HydrophobicContact CG2-CG 4.23Å; I622-P668 HydrophobicContact CD1-CG 3.27Å; Y666-P668 HydrophobicContact CE1-CG 4.36Å; P668-F672 WeakPolarHBondContact O-CB 3.25Å; P668-F672 PolarHBondContact O-N 3.23Å; P668-F769 HydrophobicContact CB-CE1 4.04Å
669L87.1Confident84.5Confident11 Ų1133.3 Ų33.36%0.05815%0.153CC..Hα-helixtrans-70.1-51.1176.8175.360.6000110.1V615 I619 D667 W671 F672 V673 I696V615-L669 HydrophobicContact CG1-CD1 4.26Å; V615-L669 HydrophobicContact CG2-CD1 3.97Å; I619-L669 HydrophobicContact CG2-CB 3.93Å; D667-L669 VanDerWaalsContact C-N 3.25Å; D667-L669 PolarHBondContact O-N 2.8Å; D667-L669 PolarHBondContact OD1-N 2.93Å; L669-W671 VanDerWaalsContact C-N 3.34Å; L669-F672 PolarHBondContact O-N 3.37Å; L669-V673 HydrophobicContact CD1-CG2 4.29Å; L669-V673 WeakPolarHBondContact O-CG2 3.04Å; L669-V673 PolarHBondContact O-N 3.22Å; L669-I696 HydrophobicContact CD1-CD1 3.95Å; L669-I696 HydrophobicContact CD1-CG1 4.24Å
670N87.4Confident84Confident7 Ų731.7 Ų31.74%0.03715%0.147CC..Hα-helixtrans-63.3-43.3179.1-167.451.3000111D667 F672 V673 K674D667-N670 HydrophobicContact CB-CB 4.15Å; D667-N670 VanDerWaalsContact CG-CB 3.45Å; D667-N670 PolarHBondContact O-N 3.45Å; D667-N670 PolarHBondContact OD1-N 3Å; D667-N670 WeakPolarHBondContact OD2-CB 3.08Å; N670-F672 PolarHBondContact O-N 2.9Å; N670-V673 PolarHBondContact O-N 3.19Å; N670-K674 VanDerWaalsContact O-CG 3.28Å; N670-K674 WeakPolarHBondContact O-CG 3.44Å; N670-K674 PolarHBondContact O-N 3.13Å
671W85.5Confident83.5Confident67 Ų6728.9 Ų28.925%0.25414%0.14SC..Hα-helixtrans-55.7-48.2174.2179.191.1000112F432 D667 L669 V673 K674 L675 F769F432-W671 AromaticContact CE2-NE1 3.53Å; F432-W671 AromaticContact CZ-CD1 3.83Å; F432-W671 AromaticContact CZ-CE2 3.97Å; F432-W671 HydrophobicContact CZ-CZ2 4.48Å; F432-W671 AromaticContact CZ-NE1 3.38Å; D667-W671 WeakPolarHBondContact O-CB 3.23Å; D667-W671 PolarHBondContact O-N 2.99Å; L669-W671 VanDerWaalsContact C-N 3.34Å; W671-V673 PolarHBondContact O-N 3.02Å; W671-K674 PolarHBondContact O-N 3.34Å; W671-L675 HydrophobicContact CH2-CD2 3.67Å; W671-L675 HydrophobicContact CZ2-CD2 4.26Å; W671-L675 HydrophobicContact CZ3-CD2 3.94Å; W671-L675 PolarHBondContact O-N 3.32Å; W671-F769 HydrophobicContact CE3-CE1 4.28Å; W671-F769 AromaticContact CE3-CZ 3.99Å; W671-F769 HydrophobicContact CE3-CZ 3.99Å; W671-F769 HydrophobicContact CZ3-CE1 4.34Å; W671-F769 HydrophobicContact CZ3-CE2 4.13Å; W671-F769 AromaticContact CZ3-CZ 3.64Å; W671-F769 HydrophobicContact CZ3-CZ 3.64Å
672F84.6Confident83.1Confident1 Ų136.9 Ų36.90%0.00417%0.17CC..Hα-helixtrans-65.1-40-179.5-179.1-120.7000112.5P668 L669 N670 L675 L676 I696 W765 A766 F769 I770P668-F672 WeakPolarHBondContact O-CB 3.25Å; P668-F672 PolarHBondContact O-N 3.23Å; L669-F672 PolarHBondContact O-N 3.37Å; N670-F672 PolarHBondContact O-N 2.9Å; F672-L675 PolarHBondContact O-N 3.23Å; F672-L676 HydrophobicContact CD1-CD1 4Å; F672-L676 HydrophobicContact CE1-CD1 3.58Å; F672-L676 HydrophobicContact CE1-CG 4.31Å; F672-L676 HydrophobicContact CE2-CD1 4.39Å; F672-L676 HydrophobicContact CE2-CG 4.24Å; F672-L676 HydrophobicContact CZ-CD1 3.78Å; F672-L676 HydrophobicContact CZ-CD2 4.28Å; F672-L676 HydrophobicContact CZ-CG 4.04Å; F672-L676 WeakPolarHBondContact O-CG 3.48Å; F672-L676 PolarHBondContact O-N 3.3Å; F672-I696 HydrophobicContact CD1-CD1 3.57Å; F672-I696 HydrophobicContact CE1-CD1 3.76Å; F672-W765 HydrophobicContact CE2-CH2 4.25Å; F672-W765 HydrophobicContact CE2-CZ2 4.01Å; F672-A766 HydrophobicContact CE1-CB 4.44Å; F672-A766 HydrophobicContact CE2-CB 3.75Å; F672-A766 HydrophobicContact CZ-CB 3.43Å; F672-A766 VanDerWaalsContact CZ-CB 3.43Å; F672-F769 HydrophobicContact CB-CD1 3.81Å; F672-F769 HydrophobicContact CB-CE1 3.97Å; F672-F769 HydrophobicContact CB-CG 4.42Å; F672-F769 HydrophobicContact CD1-CB 4.03Å; F672-F769 HydrophobicContact CD1-CD1 4.31Å; F672-F769 HydrophobicContact CD1-CG 4.28Å; F672-F769 HydrophobicContact CD2-CB 4.39Å; F672-F769 HydrophobicContact CD2-CD1 4.25Å; F672-F769 HydrophobicContact CD2-CD2 4.15Å; F672-F769 HydrophobicContact CD2-CG 4.02Å; F672-F769 HydrophobicContact CE1-CB 4.04Å; F672-F769 HydrophobicContact CE2-CB 4.42Å; F672-F769 HydrophobicContact CE2-CD2 4.42Å; F672-F769 HydrophobicContact CE2-CG 4.41Å; F672-F769 HydrophobicContact CG-CB 4.22Å; F672-F769 AromaticContact CG-CD1 3.86Å; F672-F769 HydrophobicContact CG-CD1 3.86Å; F672-F769 HydrophobicContact CG-CE1 4.38Å; F672-F769 AromaticContact CG-CG 3.98Å; F672-F769 HydrophobicContact CG-CG 3.98Å; F672-F769 HydrophobicContact CZ-CB 4.26Å; F672-I770 HydrophobicContact CE1-CD1 4.14Å; F672-I770 HydrophobicContact CE1-CG1 4.13Å; F672-I770 HydrophobicContact CZ-CD1 4Å; F672-I770 HydrophobicContact CZ-CG1 4.31Å
673V87Confident82.9Confident4 Ų428.6 Ų28.62%0.02413%0.131CC..Hα-helixtrans-63.8-40.9174.8169.40000111.7L669 N670 W671 L676 G677 I686 W688 I696L669-V673 HydrophobicContact CD1-CG2 4.29Å; L669-V673 WeakPolarHBondContact O-CG2 3.04Å; L669-V673 PolarHBondContact O-N 3.22Å; N670-V673 PolarHBondContact O-N 3.19Å; W671-V673 PolarHBondContact O-N 3.02Å; V673-L676 WeakPolarHBondContact O-CB 3.32Å; V673-L676 PolarHBondContact O-N 2.9Å; V673-G677 PolarHBondContact O-N 3.2Å; V673-I686 HydrophobicContact CG1-CG2 4.1Å; V673-W688 HydrophobicContact CB-CD2 4.38Å; V673-W688 HydrophobicContact CG1-CD2 3.63Å; V673-W688 HydrophobicContact CG1-CE3 3.53Å; V673-W688 HydrophobicContact CG1-CG 4.4Å; V673-W688 HydrophobicContact CG1-CH2 3.58Å; V673-W688 HydrophobicContact CG1-CZ2 3.66Å; V673-W688 HydrophobicContact CG1-CZ3 3.51Å; V673-W688 HydrophobicContact CG2-CB 4.39Å; V673-W688 HydrophobicContact CG2-CD2 4.03Å; V673-W688 HydrophobicContact CG2-CG 3.93Å; V673-I696 HydrophobicContact CG2-CD1 3.78Å; V673-I696 HydrophobicContact CG2-CG1 4.04Å
674K82.8Confident82.8Confident12 Ų1228.3 Ų28.35%0.05213%0.128CC..Hα-helixtrans-67.4-38.6177.2-66.5-68.5-173.1175.10111.7E422 L426 W446 N670 W671 G677 L678E422-K674 IonicContact OE2-NZ 2.67Å; E422-K674 PolarHBondContact OE2-NZ 3.04Å; L426-K674 HydrophobicContact CD1-CG 4.16Å; L426-K674 HydrophobicContact CD2-CB 3.96Å; L426-K674 HydrophobicContact CD2-CG 4.4Å; W446-K674 HydrophobicContact CH2-CD 4.27Å; N670-K674 VanDerWaalsContact O-CG 3.28Å; N670-K674 WeakPolarHBondContact O-CG 3.44Å; N670-K674 PolarHBondContact O-N 3.13Å; W671-K674 PolarHBondContact O-N 3.34Å; K674-G677 WeakPolarHBondContact O-CA 3.4Å; K674-G677 PolarHBondContact O-N 2.76Å; K674-G677 VanDerWaalsContact O-N 3.14Å; K674-L678 WeakPolarHBondContact O-CG 3.45Å; K674-L678 PolarHBondContact O-N 3.11Å
675L79.9Confident82.6Confident9 Ų928 Ų285%0.04713%0.127CC..Hα-helixtrans-60.9-44.7172.1-178.463.3000111.8F432 W671 F672 G677 L678 R679 L729 W765F432-L675 HydrophobicContact CD1-CD1 4.43Å; F432-L675 HydrophobicContact CE1-CB 4.17Å; F432-L675 HydrophobicContact CE1-CD1 3.84Å; W671-L675 HydrophobicContact CH2-CD2 3.67Å; W671-L675 HydrophobicContact CZ2-CD2 4.26Å; W671-L675 HydrophobicContact CZ3-CD2 3.94Å; W671-L675 PolarHBondContact O-N 3.32Å; F672-L675 PolarHBondContact O-N 3.23Å; L675-G677 VanDerWaalsContact C-N 3.31Å; L675-G677 PolarHBondContact O-N 2.84Å; L675-L678 PolarHBondContact O-N 2.88Å; L675-R679 HydrophobicContact CD1-CG 4.35Å; L675-R679 PolarHBondContact O-N 3.2Å; L675-R679 VanDerWaalsContact O-N 3.11Å; L675-L729 HydrophobicContact CD1-CD2 4.04Å; L675-L729 HydrophobicContact CD2-CD2 4.06Å; L675-L729 HydrophobicContact CG-CD2 4.04Å; L675-W765 HydrophobicContact CD2-CZ2 3.85Å; L675-W765 HydrophobicContact CG-CZ2 4.08Å
676L80.7Confident82.6Confident0 Ų028.7 Ų28.70%013%0.131CC..Hα-helixtrans-59.6-41.8171.8-74.9167000111.4L613 F672 V673 L678 R679 L680 G681 I686 I696 W765L613-L676 HydrophobicContact CD1-CD1 4.36Å; F672-L676 HydrophobicContact CD1-CD1 4Å; F672-L676 HydrophobicContact CE1-CD1 3.58Å; F672-L676 HydrophobicContact CE1-CG 4.31Å; F672-L676 HydrophobicContact CE2-CD1 4.39Å; F672-L676 HydrophobicContact CE2-CG 4.24Å; F672-L676 HydrophobicContact CZ-CD1 3.78Å; F672-L676 HydrophobicContact CZ-CD2 4.28Å; F672-L676 HydrophobicContact CZ-CG 4.04Å; F672-L676 WeakPolarHBondContact O-CG 3.48Å; F672-L676 PolarHBondContact O-N 3.3Å; V673-L676 WeakPolarHBondContact O-CB 3.32Å; V673-L676 PolarHBondContact O-N 2.9Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 PolarHBondContact O-N 3.28Å; L676-R679 PolarHBondContact O-N 2.61Å; L676-L680 HydrophobicContact CD2-CD1 3.86Å; L676-L680 WeakPolarHBondContact O-CA 3.22Å; L676-L680 WeakPolarHBondContact O-CB 3.5Å; L676-L680 PolarHBondContact O-N 2.84Å; L676-G681 PolarHBondContact O-N 3.23Å; L676-I686 HydrophobicContact CB-CD1 3.73Å; L676-I696 HydrophobicContact CD1-CD1 4.27Å; L676-I696 HydrophobicContact CD1-CG2 4.08Å; L676-W765 HydrophobicContact CD2-CH2 3.31Å; L676-W765 HydrophobicContact CD2-CZ3 3.31Å; L676-W765 HydrophobicContact CG-CH2 3.95Å; L676-W765 HydrophobicContact CG-CZ3 4.38Å
677G80.8Confident82.8Confident17 Ų1723.9 Ų23.918%0.17511%0.112CC..Hα-helixtrans-57.4-45.4175.200000112.1V673 K674 L675 R679 G681V673-G677 PolarHBondContact O-N 3.2Å; K674-G677 WeakPolarHBondContact O-CA 3.4Å; K674-G677 PolarHBondContact O-N 2.76Å; K674-G677 VanDerWaalsContact O-N 3.14Å; L675-G677 VanDerWaalsContact C-N 3.31Å; L675-G677 PolarHBondContact O-N 2.84Å; G677-R679 PolarHBondContact O-N 3.5Å; G677-G681 WeakPolarHBondContact O-CA 3.31Å; G677-G681 PolarHBondContact O-N 3.02Å
678L75.7Confident83.1Confident48 Ų4823.6 Ų23.625%0.25111%0.11SC..Hα-helixtrans-69.1-36.3-177.8-74.1168.8000114.2F432 W446 K674 L675 L676F432-L678 HydrophobicContact CB-CD1 4.45Å; F432-L678 HydrophobicContact CD1-CD1 3.24Å; F432-L678 HydrophobicContact CE1-CD1 3.68Å; F432-L678 HydrophobicContact CG-CD1 4.12Å; W446-L678 HydrophobicContact CZ2-CD1 3.97Å; W446-L678 HydrophobicContact CZ2-CD2 3.92Å; W446-L678 HydrophobicContact CZ2-CG 4.07Å; K674-L678 WeakPolarHBondContact O-CG 3.45Å; K674-L678 PolarHBondContact O-N 3.11Å; L675-L678 PolarHBondContact O-N 2.88Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 PolarHBondContact O-N 3.28Å
679R74.9Confident83.5Confident41 Ų4123.1 Ų23.116%0.15511%0.106CC..Hα-helixtrans-93.9-37.2-176.4-59.2-59.9-169.2-102.3-2.1112.8L675 L676 G677 L725 D727 L729L675-R679 HydrophobicContact CD1-CG 4.35Å; L675-R679 PolarHBondContact O-N 3.2Å; L675-R679 VanDerWaalsContact O-N 3.11Å; L676-R679 PolarHBondContact O-N 2.61Å; G677-R679 PolarHBondContact O-N 3.5Å; R679-L725 WeakPolarHBondContact CD-O 3.4Å; R679-L725 WeakPolarHBondContact O-CD2 2.97Å; R679-D727 PolarHBondContact NE-O 3.48Å; R679-D727 PolarHBondContact NH2-O 3.13Å; R679-L729 HydrophobicContact CB-CD1 4.02Å; R679-L729 HydrophobicContact CG-CD1 4.02Å; R679-L729 HydrophobicContact CG-CD2 3.82Å; R679-L729 HydrophobicContact CG-CG 4.16Å
680L77.6Confident83.7Confident8 Ų823.1 Ų23.14%0.04211%0.105CC..Hα-helixtrans-115-10.3-173-61.7-177.3000113.7L676 R682 F683 F684 I720 L762 W765L676-L680 HydrophobicContact CD2-CD1 3.86Å; L676-L680 WeakPolarHBondContact O-CA 3.22Å; L676-L680 WeakPolarHBondContact O-CB 3.5Å; L676-L680 PolarHBondContact O-N 2.84Å; L680-R682 PolarHBondContact O-N 3.32Å; L680-R682 VanDerWaalsContact O-N 3.14Å; L680-F683 PolarHBondContact O-N 3.06Å; L680-F684 HydrophobicContact CB-CD2 4.02Å; L680-F684 PolarHBondContact O-N 3.02Å; L680-I720 HydrophobicContact CD2-CG2 4.05Å; L680-L762 HydrophobicContact CD1-CD2 4.01Å; L680-W765 HydrophobicContact CD1-CZ3 4.21Å
681G78.9Confident83.9Confident12 Ų1223.5 Ų23.512%0.12411%0.107CC..THydrogen-bonded Turntrans-63.1-20.9-176.800000114.6L676 G677 F683 F684 R701L676-G681 PolarHBondContact O-N 3.23Å; G677-G681 WeakPolarHBondContact O-CA 3.31Å; G677-G681 PolarHBondContact O-N 3.02Å; G681-F683 VanDerWaalsContact C-N 3.31Å; G681-F684 WeakPolarHBondContact CA-O 3.41Å; G681-R701 PolarHBondContact O-NE 3.11Å; G681-R701 PolarHBondContact O-NH2 3.01Å
682R78.4Confident83.9Confident170 Ų17020.4 Ų20.464%0.64210%0.096SC*.THydrogen-bonded Turntrans-60.2-40.6168.3176.4177.1166.5170.6-2.8111.6L680 R701 F704L680-R682 PolarHBondContact O-N 3.32Å; L680-R682 VanDerWaalsContact O-N 3.14Å; R682-R701 WeakPolarHBondContact O-CD 3.45Å; R682-F704 HydrophobicContact CG-CZ 4.45Å; R682-F704 WeakPolarHBondContact O-CE2 3.49Å
683F77.9Confident84Confident1 Ų120.6 Ų20.60%0.00410%0.098CC..THydrogen-bonded Turntrans-97.8-34.1-174.1-55.5-73.5000112.8L680 G681 W700 R701 F704 L716 I720 L725L680-F683 PolarHBondContact O-N 3.06Å; G681-F683 VanDerWaalsContact C-N 3.31Å; F683-W700 HydrophobicContact CB-CE3 4.23Å; F683-W700 HydrophobicContact CB-CZ3 3.89Å; F683-R701 PolarHBondContact O-N 3.35Å; F683-F704 HydrophobicContact CD1-CD1 4.24Å; F683-F704 HydrophobicContact CD1-CD2 4.3Å; F683-F704 AromaticContact CD1-CE1 3.94Å; F683-F704 HydrophobicContact CD1-CE1 3.94Å; F683-F704 HydrophobicContact CD1-CE2 4.06Å; F683-F704 HydrophobicContact CD1-CG 4.4Å; F683-F704 AromaticContact CD1-CZ 3.85Å; F683-F704 HydrophobicContact CD1-CZ 3.85Å; F683-F704 HydrophobicContact CE1-CE1 4.08Å; F683-F704 HydrophobicContact CE1-CZ 4.13Å; F683-L716 HydrophobicContact CD1-CD1 3.93Å; F683-L716 HydrophobicContact CE1-CD1 3.76Å; F683-I720 HydrophobicContact CD1-CG1 4.21Å; F683-I720 HydrophobicContact CD2-CG1 3.9Å; F683-I720 HydrophobicContact CE1-CG1 4.08Å; F683-I720 HydrophobicContact CE2-CB 4.5Å; F683-I720 HydrophobicContact CE2-CG1 3.78Å; F683-I720 HydrophobicContact CG-CG1 4.11Å; F683-I720 HydrophobicContact CZ-CG1 3.86Å; F683-L725 HydrophobicContact CE2-CD1 3.65Å; F683-L725 HydrophobicContact CZ-CD1 4.2Å
684F82.1Confident84Confident0 Ų023.6 Ų23.60%011%0.114CC..EExtended strand (participates in β ladder)trans-118.2140.1-172.6-62.2-86.1000112.2I611 L680 G681 L698 R699 W700 L758I611-F684 HydrophobicContact CD1-CE1 4.16Å; I611-F684 HydrophobicContact CD1-CZ 4.33Å; L680-F684 HydrophobicContact CB-CD2 4.02Å; L680-F684 PolarHBondContact O-N 3.02Å; G681-F684 WeakPolarHBondContact CA-O 3.41Å; F684-L698 HydrophobicContact CB-CB 4.19Å; F684-L698 HydrophobicContact CB-CD2 4.48Å; F684-L698 HydrophobicContact CD1-CB 3.7Å; F684-L698 HydrophobicContact CE1-CB 4.32Å; F684-L698 HydrophobicContact CG-CB 4.07Å; F684-R699 CarbonylContact C-O 3.5Å; F684-R699 VanDerWaalsContact CA-O 3.26Å; F684-R699 WeakPolarHBondContact CA-O 3.13Å; F684-W700 AromaticContact CD1-CD2 3.99Å; F684-W700 HydrophobicContact CD1-CD2 3.99Å; F684-W700 HydrophobicContact CD1-CE3 4.12Å; F684-W700 HydrophobicContact CD1-CG 4.31Å; F684-W700 AromaticContact CE1-CD2 3.32Å; F684-W700 HydrophobicContact CE1-CD2 3.32Å; F684-W700 AromaticContact CE1-CE2 3.33Å; F684-W700 AromaticContact CE1-CE3 3.62Å; F684-W700 HydrophobicContact CE1-CE3 3.62Å; F684-W700 AromaticContact CE1-CG 3.9Å; F684-W700 HydrophobicContact CE1-CG 3.9Å; F684-W700 AromaticContact CE1-CH2 3.98Å; F684-W700 HydrophobicContact CE1-CH2 3.98Å; F684-W700 AromaticContact CE1-CZ2 3.68Å; F684-W700 HydrophobicContact CE1-CZ2 3.68Å; F684-W700 AromaticContact CE1-CZ3 3.95Å; F684-W700 HydrophobicContact CE1-CZ3 3.95Å; F684-W700 AromaticContact CE1-NE1 3.78Å; F684-W700 HydrophobicContact CE2-CE3 4.15Å; F684-W700 AromaticContact CE2-CH2 3.89Å; F684-W700 HydrophobicContact CE2-CH2 3.89Å; F684-W700 HydrophobicContact CE2-CZ2 4.34Å; F684-W700 AromaticContact CE2-CZ3 3.78Å; F684-W700 HydrophobicContact CE2-CZ3 3.78Å; F684-W700 AromaticContact CZ-CD2 3.7Å; F684-W700 HydrophobicContact CZ-CD2 3.7Å; F684-W700 AromaticContact CZ-CE2 3.5Å; F684-W700 AromaticContact CZ-CE3 3.63Å; F684-W700 HydrophobicContact CZ-CE3 3.63Å; F684-W700 AromaticContact CZ-CH2 3.28Å; F684-W700 HydrophobicContact CZ-CH2 3.28Å; F684-W700 AromaticContact CZ-CZ2 3.31Å; F684-W700 HydrophobicContact CZ-CZ2 3.31Å; F684-W700 AromaticContact CZ-CZ3 3.44Å; F684-W700 HydrophobicContact CZ-CZ3 3.44Å; F684-W700 VanDerWaalsContact CZ-CZ3 3.44Å; F684-L758 HydrophobicContact CE2-CD2 4.01Å; F684-L758 HydrophobicContact CZ-CD2 3.49Å; F684-L758 VanDerWaalsContact CZ-CD2 3.49Å
685E85.4Confident84.3Confident25 Ų2524 Ų2412%0.11712%0.115CC..EExtended strand (participates in β ladder)trans-78.7126.7155.8-171.6-164.8158.300108.4Y412 G457 R687 R699Y412-E685 WeakPolarHBondContact CE1-OE1 3.43Å; G457-E685 WeakPolarHBondContact CA-OE1 3.1Å; E685-R687 VanDerWaalsContact CD-NH2 3.32Å; E685-R687 IonicContact OE1-CZ 3.59Å; E685-R687 VanDerWaalsContact OE1-CZ 3.28Å; E685-R687 IonicContact OE1-NE 3.54Å; E685-R687 PolarHBondContact OE1-NE 2.69Å; E685-R687 IonicContact OE1-NH2 2.65Å; E685-R687 PolarHBondContact OE1-NH2 3.1Å; E685-R687 IonicContact OE2-CZ 2.6Å; E685-R687 IonicContact OE2-NE 3.53Å; E685-R687 IonicContact OE2-NH2 3.81Å; E685-R687 PolarHBondContact OE2-NH2 2.91Å; E685-R699 HydrophobicContact CB-CB 4.4Å; E685-R699 PolarHBondContact N-O 3.16Å; E685-R699 PolarHBondContact O-N 3.1Å; E685-R699 IonicContact OE2-NH1 2.67Å
686I88.4Confident84.8Confident24 Ų2423.5 Ų23.512%0.12311%0.113CC..EExtended strand (participates in β ladder)trans-105128.8-176.8-52.6175.9000109.4V673 L676 W688 I696 A697 L698V673-I686 HydrophobicContact CG1-CG2 4.1Å; L676-I686 HydrophobicContact CB-CD1 3.73Å; I686-W688 HydrophobicContact CG2-CE3 4.23Å; I686-I696 HydrophobicContact CG2-CG2 3.86Å; I686-A697 WeakPolarHBondContact CA-O 3.41Å; I686-L698 HydrophobicContact CB-CD2 4.34Å; I686-L698 HydrophobicContact CD1-CD2 4.43Å; I686-L698 HydrophobicContact CG1-CD2 3.77Å; I686-L698 HydrophobicContact CG2-CD2 4.11Å
687R90.9Very high85.2Confident14 Ų1423.6 Ų23.65%0.05311%0.113CC..EExtended strand (participates in β ladder)trans-126.1137.5-179.1-63.3-178.6-174.6-175.40.5110.4G411 Y412 D573 E685 W695 A697G411-R687 VanDerWaalsContact O-CA 3.3Å; G411-R687 WeakPolarHBondContact O-CA 3.41Å; G411-R687 WeakPolarHBondContact O-CB 3.27Å; Y412-R687 HydrophobicContact CE1-CG 4.31Å; Y412-R687 PolarHBondContact OH-NH1 3.33Å; Y412-R687 PolarHBondContact OH-NH2 3.26Å; D573-R687 IonicContact OD2-NH2 3.07Å; D573-R687 PolarHBondContact OD2-NH2 3.41Å; E685-R687 VanDerWaalsContact CD-NH2 3.32Å; E685-R687 IonicContact OE1-CZ 3.59Å; E685-R687 VanDerWaalsContact OE1-CZ 3.28Å; E685-R687 IonicContact OE1-NE 3.54Å; E685-R687 PolarHBondContact OE1-NE 2.69Å; E685-R687 IonicContact OE1-NH2 2.65Å; E685-R687 PolarHBondContact OE1-NH2 3.1Å; E685-R687 IonicContact OE2-CZ 2.6Å; E685-R687 IonicContact OE2-NE 3.53Å; E685-R687 IonicContact OE2-NH2 3.81Å; E685-R687 PolarHBondContact OE2-NH2 2.91Å; R687-W695 HydrophobicContact CB-CZ3 4.13Å; R687-W695 WeakPolarHBondContact O-CZ3 3.5Å; R687-A697 HydrophobicContact CB-CB 4.1Å; R687-A697 PolarHBondContact N-O 3.19Å; R687-A697 PolarHBondContact O-N 3.02Å
688W93.4Very high85.5Confident8 Ų822.8 Ų22.83%0.0311%0.105CC..EExtended strand (participates in β ladder)trans-160.5163.2177.974.8106.5000110.9G411 P413 V673 I686 I696G411-W688 CarbonylContact C-O 3.45Å; G411-W688 WeakPolarHBondContact CA-O 3.34Å; G411-W688 PolarHBondContact O-N 3.46Å; P413-W688 HydrophobicContact CB-CZ2 4.45Å; P413-W688 WeakPolarHBondContact CD-O 3.12Å; P413-W688 HydrophobicContact CG-CD2 3.72Å; P413-W688 VanDerWaalsContact CG-CE2 3.42Å; P413-W688 HydrophobicContact CG-CE3 3.96Å; P413-W688 HydrophobicContact CG-CG 4.45Å; P413-W688 HydrophobicContact CG-CH2 3.71Å; P413-W688 HydrophobicContact CG-CZ2 3.43Å; P413-W688 VanDerWaalsContact CG-CZ2 3.43Å; P413-W688 HydrophobicContact CG-CZ3 3.96Å; V673-W688 HydrophobicContact CB-CD2 4.38Å; V673-W688 HydrophobicContact CG1-CD2 3.63Å; V673-W688 HydrophobicContact CG1-CE3 3.53Å; V673-W688 HydrophobicContact CG1-CG 4.4Å; V673-W688 HydrophobicContact CG1-CH2 3.58Å; V673-W688 HydrophobicContact CG1-CZ2 3.66Å; V673-W688 HydrophobicContact CG1-CZ3 3.51Å; V673-W688 HydrophobicContact CG2-CB 4.39Å; V673-W688 HydrophobicContact CG2-CD2 4.03Å; V673-W688 HydrophobicContact CG2-CG 3.93Å; I686-W688 HydrophobicContact CG2-CE3 4.23Å; W688-I696 HydrophobicContact CB-CG1 4.26Å
689D93.6Very high85.9Confident6 Ų622.8 Ų22.83%0.03210%0.101CC..  trans-99.1114.5166.917818.4000110.1R405 S408 H691 G693 W695R405-D689 IonicContact CZ-OD2 3.82Å; R405-D689 VanDerWaalsContact NH1-CG 3.32Å; R405-D689 IonicContact NH1-OD1 3.98Å; R405-D689 PolarHBondContact NH1-OD1 3.32Å; R405-D689 IonicContact NH1-OD2 2.67Å; R405-D689 PolarHBondContact NH1-OD2 3.17Å; R405-D689 IonicContact NH2-OD2 2.88Å; S408-D689 WeakPolarHBondContact CB-OD1 3.31Å; S408-D689 WeakPolarHBondContact O-CA 3.32Å; S408-D689 WeakPolarHBondContact O-CB 3.43Å; S408-D689 PolarHBondContact OG-OD1 2.86Å; D689-H691 PolarHBondContact O-N 2.81Å; D689-H691 IonicContact OD1-CD2 3.61Å; D689-H691 PolarHBondContact OD1-N 2.83Å; D689-G693 WeakPolarHBondContact O-CA 3.49Å; D689-G693 PolarHBondContact O-N 2.9Å; D689-W695 HydrophobicContact CB-CZ2 4.27Å
690R92.3Very high86.3Confident11 Ų1121.6 Ų21.64%0.04210%0.097CC..THydrogen-bonded Turntrans-67.4-19.5-179.183.7-172-40.3168.511.6113.5S408 P413 V414 E422 R623 G692S408-R690 PolarHBondContact OG-N 2.94Å; S408-R690 VanDerWaalsContact OG-N 3.13Å; P413-R690 HydrophobicContact CB-CB 4.02Å; P413-R690 HydrophobicContact CB-CG 4.16Å; V414-R690 PolarHBondContact O-NH1 2.78Å; E422-R690 IonicContact OE1-CZ 3.87Å; E422-R690 IonicContact OE1-NH1 2.78Å; E422-R690 PolarHBondContact OE1-NH1 3.23Å; E422-R690 IonicContact OE1-NH2 3.93Å; E422-R690 PolarHBondContact OE1-NH2 3.14Å; E422-R690 IonicContact OE2-NH2 3.21Å; R623-R690 WeakPolarHBondContact CD-O 3.34Å; R690-G692 PolarHBondContact O-N 3.42Å
691H91.6Very high86.4Confident16 Ų1623.1 Ų23.17%0.07410%0.102CC..THydrogen-bonded Turntrans-100.163.8-171.9-65.1-59.1000111.8F225 R405 S408 E626 S627 D689F225-H691 AromaticContact CD2-ND1 3.56Å; F225-H691 HydrophobicContact CE2-CB 3.83Å; F225-H691 AromaticContact CE2-CG 3.68Å; F225-H691 AromaticContact CE2-ND1 3.63Å; R405-H691 VanDerWaalsContact CZ-CB 3.46Å; R405-H691 PolarHBondContact NH2-O 3.27Å; S408-H691 PolarHBondContact OG-CD2 3.18Å; E626-H691 CarbonylContact C-O 3.57Å; E626-H691 HydrophobicContact CB-CB 4.04Å; E626-H691 IonicContact OE2-CG 3.85Å; E626-H691 IonicContact OE2-ND1 3.86Å; E626-H691 PolarHBondContact OE2-ND1 3.41Å; S627-H691 WeakPolarHBondContact CA-O 3.3Å; S627-H691 PolarHBondContact N-O 3.4Å; D689-H691 PolarHBondContact O-N 2.81Å; D689-H691 IonicContact OD1-CD2 3.61Å; D689-H691 PolarHBondContact OD1-N 2.83Å
692G84.4Confident86.3Confident2 Ų227 Ų272%0.02113%0.125CC..THydrogen-bonded Turntrans71.730.1179.500000113.7S627 R690S627-G692 WeakPolarHBondContact CB-O 3.21Å; S627-G692 PolarHBondContact OG-O 2.78Å; R690-G692 PolarHBondContact O-N 3.42Å
693G87.3Confident86.1Confident5 Ų526.6 Ų26.65%0.05213%0.13CC..  trans-65.1144.6166.300000111.3D689D689-G693 WeakPolarHBondContact O-CA 3.49Å; D689-G693 PolarHBondContact O-N 2.9Å
694N86.7Confident85.9Confident66 Ų6628 Ų2835%0.35314%0.137SC..  trans-107.917.9178.568-34.7000113N614 V615 V620N614-N694 WeakPolarHBondContact CA-O 3.42Å; V615-N694 PolarHBondContact N-O 2.99Å; V620-N694 HydrophobicContact CG1-CB 4.15Å; V620-N694 HydrophobicContact CG2-CB 3.82Å
695W90.2Very high85.3Confident20 Ų2030.8 Ų30.88%0.07615%0.15CC..EExtended strand (participates in β ladder)trans-142147.3-175.759.9-92.3000110.9G411 P604 F606 V612 L613 R687 D689 A697G411-W695 VanDerWaalsContact CA-CH2 3.47Å; P604-W695 HydrophobicContact CB-CH2 3.77Å; P604-W695 HydrophobicContact CB-CZ2 3.65Å; P604-W695 HydrophobicContact CG-CD2 4.46Å; P604-W695 HydrophobicContact CG-CH2 4.01Å; P604-W695 HydrophobicContact CG-CZ2 3.46Å; P604-W695 VanDerWaalsContact CG-CZ2 3.46Å; F606-W695 HydrophobicContact CE1-CD2 4.14Å; F606-W695 HydrophobicContact CE1-CE3 4.01Å; F606-W695 HydrophobicContact CE1-CG 4.49Å; F606-W695 HydrophobicContact CE1-CZ3 4.44Å; F606-W695 HydrophobicContact CZ-CD2 4.04Å; F606-W695 HydrophobicContact CZ-CE3 4.38Å; F606-W695 HydrophobicContact CZ-CG 4.1Å; V612-W695 HydrophobicContact CG1-CB 4.3Å; L613-W695 CarbonylContact O-C 3.34Å; L613-W695 VanDerWaalsContact O-CA 3.28Å; L613-W695 WeakPolarHBondContact O-CA 3.47Å; R687-W695 HydrophobicContact CB-CZ3 4.13Å; R687-W695 WeakPolarHBondContact O-CZ3 3.5Å; D689-W695 HydrophobicContact CB-CZ2 4.27Å; W695-A697 HydrophobicContact CE3-CB 3.96Å; W695-A697 HydrophobicContact CZ3-CB 3.83Å
696I90.1Very high84.6Confident0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-128.4126.3167.4-59.5165.3000106.3L613 V615 L669 F672 V673 L676 I686 W688 L698L613-I696 HydrophobicContact CB-CB 4.27Å; L613-I696 HydrophobicContact CD1-CB 4.5Å; L613-I696 HydrophobicContact CD1-CG2 4.48Å; L613-I696 PolarHBondContact N-O 3.48Å; L613-I696 PolarHBondContact O-N 3.07Å; V615-I696 HydrophobicContact CG2-CD1 3.86Å; V615-I696 HydrophobicContact CG2-CG1 3.85Å; L669-I696 HydrophobicContact CD1-CD1 3.95Å; L669-I696 HydrophobicContact CD1-CG1 4.24Å; F672-I696 HydrophobicContact CD1-CD1 3.57Å; F672-I696 HydrophobicContact CE1-CD1 3.76Å; V673-I696 HydrophobicContact CG2-CD1 3.78Å; V673-I696 HydrophobicContact CG2-CG1 4.04Å; L676-I696 HydrophobicContact CD1-CD1 4.27Å; L676-I696 HydrophobicContact CD1-CG2 4.08Å; I686-I696 HydrophobicContact CG2-CG2 3.86Å; W688-I696 HydrophobicContact CB-CG1 4.26Å; I696-L698 HydrophobicContact CG2-CD2 4.48Å
697A88.7Confident83.6Confident1 Ų138 Ų381%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-109.1136.6-179.200000110.4I609 I611 I686 R687 W695I609-A697 HydrophobicContact CB-CB 4.44Å; I609-A697 HydrophobicContact CD1-CB 3.48Å; I609-A697 VanDerWaalsContact CD1-CB 3.48Å; I609-A697 HydrophobicContact CG1-CB 4.07Å; I609-A697 HydrophobicContact CG2-CB 3.57Å; I611-A697 CarbonylContact O-C 3.41Å; I611-A697 WeakPolarHBondContact O-CA 3.39Å; I686-A697 WeakPolarHBondContact CA-O 3.41Å; R687-A697 HydrophobicContact CB-CB 4.1Å; R687-A697 PolarHBondContact N-O 3.19Å; R687-A697 PolarHBondContact O-N 3.02Å; W695-A697 HydrophobicContact CE3-CB 3.96Å; W695-A697 HydrophobicContact CZ3-CB 3.83Å
698L86.4Confident82.4Confident0 Ų037.8 Ų37.80%019%0.187CC..EExtended strand (participates in β ladder)trans-115.4128173.9-49.9176000108.4D610 I611 L613 F684 I686 I696 L762D610-L698 PolarHBondContact N-O 2.9Å; I611-L698 HydrophobicContact CB-CB 4.07Å; I611-L698 HydrophobicContact CB-CD1 4.38Å; I611-L698 HydrophobicContact CB-CG 4.48Å; I611-L698 HydrophobicContact CD1-CD1 4.39Å; I611-L698 HydrophobicContact CG1-CB 4.34Å; I611-L698 PolarHBondContact N-O 3.16Å; I611-L698 PolarHBondContact O-N 3.14Å; L613-L698 HydrophobicContact CD1-CD1 4.18Å; L613-L698 HydrophobicContact CD1-CG 4.48Å; F684-L698 HydrophobicContact CB-CB 4.19Å; F684-L698 HydrophobicContact CB-CD2 4.48Å; F684-L698 HydrophobicContact CD1-CB 3.7Å; F684-L698 HydrophobicContact CE1-CB 4.32Å; F684-L698 HydrophobicContact CG-CB 4.07Å; I686-L698 HydrophobicContact CB-CD2 4.34Å; I686-L698 HydrophobicContact CD1-CD2 4.43Å; I686-L698 HydrophobicContact CG1-CD2 3.77Å; I686-L698 HydrophobicContact CG2-CD2 4.11Å; I696-L698 HydrophobicContact CG2-CD2 4.48Å; L698-L762 HydrophobicContact CD1-CD1 4.07Å
699R85.1Confident81.1Confident49 Ų4942.4 Ų42.419%0.18521%0.212CC..EExtended strand (participates in β ladder)trans-121.8129.6174.9179.2-174.9178.6-171.51.4109.2D573 D610 F684 E685 R701D573-R699 IonicContact OD2-CZ 2.73Å; D573-R699 IonicContact OD2-NH1 2.67Å; D573-R699 PolarHBondContact OD2-NH1 3Å; D610-R699 VanDerWaalsContact OD2-CA 3.28Å; D610-R699 WeakPolarHBondContact OD2-CA 3.5Å; F684-R699 CarbonylContact C-O 3.5Å; F684-R699 VanDerWaalsContact CA-O 3.26Å; F684-R699 WeakPolarHBondContact CA-O 3.13Å; E685-R699 HydrophobicContact CB-CB 4.4Å; E685-R699 PolarHBondContact N-O 3.16Å; E685-R699 PolarHBondContact O-N 3.1Å; E685-R699 IonicContact OE2-NH1 2.67Å; R699-R701 PolarHBondContact O-N 3.47Å
700W81.9Confident80Confident16 Ų1644.2 Ų44.26%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-59.4134.6175.7-70.8108.1000110.8D610 F683 F684 F704 I705 I708 I720 L758D610-W700 VanDerWaalsContact CG-CD1 3.48Å; D610-W700 PolarHBondContact OD2-N 3.35Å; F683-W700 HydrophobicContact CB-CE3 4.23Å; F683-W700 HydrophobicContact CB-CZ3 3.89Å; F684-W700 AromaticContact CD1-CD2 3.99Å; F684-W700 HydrophobicContact CD1-CD2 3.99Å; F684-W700 HydrophobicContact CD1-CE3 4.12Å; F684-W700 HydrophobicContact CD1-CG 4.31Å; F684-W700 AromaticContact CE1-CD2 3.32Å; F684-W700 HydrophobicContact CE1-CD2 3.32Å; F684-W700 AromaticContact CE1-CE2 3.33Å; F684-W700 AromaticContact CE1-CE3 3.62Å; F684-W700 HydrophobicContact CE1-CE3 3.62Å; F684-W700 AromaticContact CE1-CG 3.9Å; F684-W700 HydrophobicContact CE1-CG 3.9Å; F684-W700 AromaticContact CE1-CH2 3.98Å; F684-W700 HydrophobicContact CE1-CH2 3.98Å; F684-W700 AromaticContact CE1-CZ2 3.68Å; F684-W700 HydrophobicContact CE1-CZ2 3.68Å; F684-W700 AromaticContact CE1-CZ3 3.95Å; F684-W700 HydrophobicContact CE1-CZ3 3.95Å; F684-W700 AromaticContact CE1-NE1 3.78Å; F684-W700 HydrophobicContact CE2-CE3 4.15Å; F684-W700 AromaticContact CE2-CH2 3.89Å; F684-W700 HydrophobicContact CE2-CH2 3.89Å; F684-W700 HydrophobicContact CE2-CZ2 4.34Å; F684-W700 AromaticContact CE2-CZ3 3.78Å; F684-W700 HydrophobicContact CE2-CZ3 3.78Å; F684-W700 AromaticContact CZ-CD2 3.7Å; F684-W700 HydrophobicContact CZ-CD2 3.7Å; F684-W700 AromaticContact CZ-CE2 3.5Å; F684-W700 AromaticContact CZ-CE3 3.63Å; F684-W700 HydrophobicContact CZ-CE3 3.63Å; F684-W700 AromaticContact CZ-CH2 3.28Å; F684-W700 HydrophobicContact CZ-CH2 3.28Å; F684-W700 AromaticContact CZ-CZ2 3.31Å; F684-W700 HydrophobicContact CZ-CZ2 3.31Å; F684-W700 AromaticContact CZ-CZ3 3.44Å; F684-W700 HydrophobicContact CZ-CZ3 3.44Å; F684-W700 VanDerWaalsContact CZ-CZ3 3.44Å; W700-F704 HydrophobicContact CE3-CB 4.4Å; W700-I705 HydrophobicContact CB-CG1 3.88Å; W700-I708 HydrophobicContact CB-CD1 4.3Å; W700-I708 HydrophobicContact CD2-CD1 3.33Å; W700-I708 HydrophobicContact CE3-CD1 3.6Å; W700-I708 HydrophobicContact CG-CD1 3.67Å; W700-I708 HydrophobicContact CH2-CD1 4.12Å; W700-I708 HydrophobicContact CZ2-CD1 3.93Å; W700-I708 HydrophobicContact CZ3-CD1 3.97Å; W700-I720 HydrophobicContact CH2-CD1 3.52Å; W700-I720 HydrophobicContact CZ3-CD1 3.9Å; W700-L758 HydrophobicContact CH2-CD2 4.45Å; W700-L758 HydrophobicContact CZ2-CD2 4.24Å
701R81.5Confident78.7Confident40 Ų4053.4 Ų53.415%0.15127%0.265CS..  trans-66140.3171.6-69.2-175.9-179.5-83.70.5109.5N455 G681 R682 F683 R699 H703 F704 I705N455-R701 PolarHBondContact O-NH1 2.87Å; N455-R701 PolarHBondContact O-NH2 3.21Å; G681-R701 PolarHBondContact O-NE 3.11Å; G681-R701 PolarHBondContact O-NH2 3.01Å; R682-R701 WeakPolarHBondContact O-CD 3.45Å; F683-R701 PolarHBondContact O-N 3.35Å; R699-R701 PolarHBondContact O-N 3.47Å; R701-H703 PolarHBondContact O-N 3.14Å; R701-F704 HydrophobicContact CB-CD2 4.2Å; R701-F704 PolarHBondContact O-N 3.13Å; R701-I705 PolarHBondContact O-N 3.43Å
702P75.3Confident77.6Confident94 Ų9457.1 Ų57.161%0.6129%0.286SS*.Hα-helixtrans-51.6-36.1-173.8-29.534.8000115.2F704 I705P702-F704 PolarHBondContact O-N 2.67Å; P702-I705 PolarHBondContact O-N 3.01Å; P702-I705 VanDerWaalsContact O-N 3.17Å
703H74.7Confident76.7Confident160 Ų16060.4 Ų60.474%0.74130%0.297SS*.Hα-helixtrans-61.2-31.9-179.8-147.975.9000112.8R701 T707R701-H703 PolarHBondContact O-N 3.14Å; H703-T707 PolarHBondContact O-OG1 2.95Å
704F74.8Confident75.7Confident32 Ų3263.7 Ų63.714%0.1432%0.316CS..Hα-helixtrans-87.8-20.3178-67.3-70.7000113.2R682 F683 W700 R701 P702 Q706 T707 I708 L716R682-F704 HydrophobicContact CG-CZ 4.45Å; R682-F704 WeakPolarHBondContact O-CE2 3.49Å; F683-F704 HydrophobicContact CD1-CD1 4.24Å; F683-F704 HydrophobicContact CD1-CD2 4.3Å; F683-F704 AromaticContact CD1-CE1 3.94Å; F683-F704 HydrophobicContact CD1-CE1 3.94Å; F683-F704 HydrophobicContact CD1-CE2 4.06Å; F683-F704 HydrophobicContact CD1-CG 4.4Å; F683-F704 AromaticContact CD1-CZ 3.85Å; F683-F704 HydrophobicContact CD1-CZ 3.85Å; F683-F704 HydrophobicContact CE1-CE1 4.08Å; F683-F704 HydrophobicContact CE1-CZ 4.13Å; W700-F704 HydrophobicContact CE3-CB 4.4Å; R701-F704 HydrophobicContact CB-CD2 4.2Å; R701-F704 PolarHBondContact O-N 3.13Å; P702-F704 PolarHBondContact O-N 2.67Å; F704-Q706 PolarHBondContact O-N 3.07Å; F704-T707 PolarHBondContact O-N 3.32Å; F704-T707 VanDerWaalsContact O-N 3.14Å; F704-I708 HydrophobicContact CB-CD1 4.44Å; F704-I708 WeakPolarHBondContact O-CD1 3.36Å; F704-I708 WeakPolarHBondContact O-CG1 3.28Å; F704-I708 PolarHBondContact O-N 2.91Å; F704-L716 HydrophobicContact CB-CD2 4.34Å; F704-L716 HydrophobicContact CD1-CD1 3.36Å; F704-L716 HydrophobicContact CD1-CD2 4.21Å; F704-L716 HydrophobicContact CD1-CG 4.44Å; F704-L716 HydrophobicContact CE1-CD1 3.66Å; F704-L716 HydrophobicContact CG-CD1 4.31Å
705I69.4Low74.8Confident57 Ų5764.7 Ų64.729%0.29233%0.325SS..Hα-helixtrans-59.4-38.4-179.4-61178.2000111W700 R701 P702 N709W700-I705 HydrophobicContact CB-CG1 3.88Å; R701-I705 PolarHBondContact O-N 3.43Å; P702-I705 PolarHBondContact O-N 3.01Å; P702-I705 VanDerWaalsContact O-N 3.17Å; I705-N709 PolarHBondContact O-N 2.7Å; I705-N709 PolarHBondContact O-ND2 3.13Å
706Q69Low73.8Confident158 Ų15864.3 Ų64.374%0.73832%0.324SS*.Hα-helixtrans-69.7-43.7176.7-65.8179.6-0.700111.6F704 I708 N709 S710F704-Q706 PolarHBondContact O-N 3.07Å; Q706-I708 VanDerWaalsContact C-N 3.33Å; Q706-I708 PolarHBondContact O-N 2.89Å; Q706-N709 CarbonylContact O-C 3.41Å; Q706-N709 PolarHBondContact O-N 3.1Å; Q706-N709 VanDerWaalsContact O-N 3.13Å; Q706-S710 PolarHBondContact O-N 3.15Å; Q706-S710 VanDerWaalsContact O-N 3.14Å
707T68.1Low72.6Confident43 Ų4365.3 Ų65.326%0.26433%0.33SS..Hα-helixtrans-63.9-35177.3-41.70000112.6H703 F704 N709 S710 D712 R713 L716H703-T707 PolarHBondContact O-OG1 2.95Å; F704-T707 PolarHBondContact O-N 3.32Å; F704-T707 VanDerWaalsContact O-N 3.14Å; T707-N709 PolarHBondContact O-N 3.42Å; T707-S710 PolarHBondContact O-N 3.29Å; T707-S710 VanDerWaalsContact O-N 3.11Å; T707-S710 PolarHBondContact O-OG 3.48Å; T707-S710 VanDerWaalsContact O-OG 3.04Å; T707-D712 HydrophobicContact CG2-CB 4Å; T707-R713 PolarHBondContact O-N 3.05Å; T707-L716 HydrophobicContact CG2-CB 4.33Å; T707-L716 HydrophobicContact CG2-CD2 4.43Å
708I66Low71.5Confident10 Ų1069.4 Ų69.45%0.05135%0.349CS..Hα-helixtrans-62.5-33.8175.1-69.4162000111.2W700 F704 Q706 R713 L716 L779W700-I708 HydrophobicContact CB-CD1 4.3Å; W700-I708 HydrophobicContact CD2-CD1 3.33Å; W700-I708 HydrophobicContact CE3-CD1 3.6Å; W700-I708 HydrophobicContact CG-CD1 3.67Å; W700-I708 HydrophobicContact CH2-CD1 4.12Å; W700-I708 HydrophobicContact CZ2-CD1 3.93Å; W700-I708 HydrophobicContact CZ3-CD1 3.97Å; F704-I708 HydrophobicContact CB-CD1 4.44Å; F704-I708 WeakPolarHBondContact O-CD1 3.36Å; F704-I708 WeakPolarHBondContact O-CG1 3.28Å; F704-I708 PolarHBondContact O-N 2.91Å; Q706-I708 VanDerWaalsContact C-N 3.33Å; Q706-I708 PolarHBondContact O-N 2.89Å; I708-R713 WeakPolarHBondContact O-CD 3.33Å; I708-L716 HydrophobicContact CB-CD2 4.48Å; I708-L716 HydrophobicContact CD1-CD2 4.23Å; I708-L716 HydrophobicContact CG1-CD2 3.35Å; I708-L779 HydrophobicContact CG2-CD1 4.15Å
709N65.7Low70.7Confident105 Ų10571.3 Ų71.356%0.56136%0.362SS*.THydrogen-bonded Turntrans-89.3-2.3177.9-66-43000113.2I705 Q706 T707I705-N709 PolarHBondContact O-N 2.7Å; I705-N709 PolarHBondContact O-ND2 3.13Å; Q706-N709 CarbonylContact O-C 3.41Å; Q706-N709 PolarHBondContact O-N 3.1Å; Q706-N709 VanDerWaalsContact O-N 3.13Å; T707-N709 PolarHBondContact O-N 3.42Å
710S69.8Low70Confident43 Ų4369.2 Ų69.230%0.30136%0.355SS..SBendtrans-94176.5179.687.90000112.1Q706 T707 D712 R713Q706-S710 PolarHBondContact O-N 3.15Å; Q706-S710 VanDerWaalsContact O-N 3.14Å; T707-S710 PolarHBondContact O-N 3.29Å; T707-S710 VanDerWaalsContact O-N 3.11Å; T707-S710 PolarHBondContact O-OG 3.48Å; T707-S710 VanDerWaalsContact O-OG 3.04Å; S710-D712 PolarHBondContact O-N 3.28Å; S710-D712 WeakPolarHBondContact OG-CB 3.2Å; S710-D712 PolarHBondContact OG-N 3.39Å; S710-D712 PolarHBondContact OG-OD2 2.74Å; S710-R713 WeakPolarHBondContact O-CB 3.49Å; S710-R713 PolarHBondContact O-N 3.19Å
711K65.3Low69.2Low204 Ų20469.7 Ų69.789%0.88736%0.358SS*.THydrogen-bonded Turntrans-64.9-19.5171.9-67.8-176.5179.8178.60112.6R713K711-R713 PolarHBondContact O-N 2.76Å
712D68.7Low68.5Low95 Ų9569.6 Ų69.651%0.50836%0.363SS..THydrogen-bonded Turntrans-81.82.5-178.5-46.1-53.9000113T707 S710 V714 T715 L716T707-D712 HydrophobicContact CG2-CB 4Å; S710-D712 PolarHBondContact O-N 3.28Å; S710-D712 WeakPolarHBondContact OG-CB 3.2Å; S710-D712 PolarHBondContact OG-N 3.39Å; S710-D712 PolarHBondContact OG-OD2 2.74Å; D712-V714 PolarHBondContact O-N 2.68Å; D712-T715 WeakPolarHBondContact O-CB 3.25Å; D712-T715 PolarHBondContact O-N 3.14Å; D712-L716 PolarHBondContact O-N 2.85Å
713R65.6Low68Low71 Ų7169.7 Ų69.727%0.26837%0.366SS..Hα-helixtrans-49.7-42.8176.2179-175.2169.5168.80.8112.3T707 I708 S710 K711 T715 L716 V717 D755T707-R713 PolarHBondContact O-N 3.05Å; I708-R713 WeakPolarHBondContact O-CD 3.33Å; S710-R713 WeakPolarHBondContact O-CB 3.49Å; S710-R713 PolarHBondContact O-N 3.19Å; K711-R713 PolarHBondContact O-N 2.76Å; R713-T715 VanDerWaalsContact C-N 3.33Å; R713-T715 PolarHBondContact O-N 3.46Å; R713-L716 PolarHBondContact O-N 3.36Å; R713-V717 HydrophobicContact CG-CG2 4.26Å; R713-V717 WeakPolarHBondContact O-CB 3.28Å; R713-V717 VanDerWaalsContact O-CG2 3.25Å; R713-V717 WeakPolarHBondContact O-CG2 3.34Å; R713-V717 PolarHBondContact O-N 3.23Å; R713-D755 IonicContact CZ-OD1 2.82Å; R713-D755 IonicContact CZ-OD2 2.75Å; R713-D755 IonicContact NH1-OD2 3.79Å; R713-D755 IonicContact NH2-OD1 2.62Å; R713-D755 PolarHBondContact NH2-OD1 3.45Å; R713-D755 IonicContact NH2-OD2 3.43Å; R713-D755 PolarHBondContact NH2-OD2 2.77Å
714V65.5Low67.5Low74 Ų7468.6 Ų68.645%0.44837%0.365SS..Hα-helixtrans-60.5-46.3-179.9178.50000110.3D712 L716 V717 Q718 Y753D712-V714 PolarHBondContact O-N 2.68Å; V714-L716 PolarHBondContact O-N 3.25Å; V714-V717 PolarHBondContact O-N 3.29Å; V714-Q718 HydrophobicContact CG1-CG 4.43Å; V714-Q718 WeakPolarHBondContact O-CB 3.45Å; V714-Q718 VanDerWaalsContact O-CG 3.27Å; V714-Q718 WeakPolarHBondContact O-CG 3.28Å; V714-Q718 PolarHBondContact O-N 3.15Å; V714-Y753 HydrophobicContact CG1-CD2 4.25Å
715T68.9Low67Low87 Ų8768.7 Ų68.753%0.53437%0.367SS..Hα-helixtrans-63.7-41.5178.4-37.20000111.8D712 R713 Q718 S719D712-T715 WeakPolarHBondContact O-CB 3.25Å; D712-T715 PolarHBondContact O-N 3.14Å; R713-T715 VanDerWaalsContact C-N 3.33Å; R713-T715 PolarHBondContact O-N 3.46Å; T715-Q718 PolarHBondContact O-N 2.9Å; T715-S719 WeakPolarHBondContact O-CB 3.16Å; T715-S719 PolarHBondContact O-N 3.1Å
716L68.6Low66.6Low12 Ų1267.7 Ų67.76%0.06336%0.362CS..Hα-helixtrans-62-48.6175.2176.766000111.2F683 F704 T707 I708 D712 R713 V714 S719 I720F683-L716 HydrophobicContact CD1-CD1 3.93Å; F683-L716 HydrophobicContact CE1-CD1 3.76Å; F704-L716 HydrophobicContact CB-CD2 4.34Å; F704-L716 HydrophobicContact CD1-CD1 3.36Å; F704-L716 HydrophobicContact CD1-CD2 4.21Å; F704-L716 HydrophobicContact CD1-CG 4.44Å; F704-L716 HydrophobicContact CE1-CD1 3.66Å; F704-L716 HydrophobicContact CG-CD1 4.31Å; T707-L716 HydrophobicContact CG2-CB 4.33Å; T707-L716 HydrophobicContact CG2-CD2 4.43Å; I708-L716 HydrophobicContact CB-CD2 4.48Å; I708-L716 HydrophobicContact CD1-CD2 4.23Å; I708-L716 HydrophobicContact CG1-CD2 3.35Å; D712-L716 PolarHBondContact O-N 2.85Å; R713-L716 PolarHBondContact O-N 3.36Å; V714-L716 PolarHBondContact O-N 3.25Å; L716-S719 WeakPolarHBondContact O-CB 3.2Å; L716-S719 PolarHBondContact O-N 3Å; L716-S719 VanDerWaalsContact O-N 3.11Å; L716-S719 PolarHBondContact O-OG 3.22Å; L716-I720 PolarHBondContact O-N 3.38Å
717V65.2Low66.1Low20 Ų2065.5 Ų65.512%0.12136%0.355CS..Hα-helixtrans-64-44.4-179.8179.10000109.9R713 V714 S719 I720 F721 Y753R713-V717 HydrophobicContact CG-CG2 4.26Å; R713-V717 WeakPolarHBondContact O-CB 3.28Å; R713-V717 VanDerWaalsContact O-CG2 3.25Å; R713-V717 WeakPolarHBondContact O-CG2 3.34Å; R713-V717 PolarHBondContact O-N 3.23Å; V714-V717 PolarHBondContact O-N 3.29Å; V717-S719 PolarHBondContact O-N 3.27Å; V717-I720 WeakPolarHBondContact O-CB 3.35Å; V717-I720 PolarHBondContact O-N 3.04Å; V717-F721 HydrophobicContact CG1-CD2 3.71Å; V717-F721 HydrophobicContact CG1-CE2 3.4Å; V717-F721 VanDerWaalsContact CG1-CE2 3.4Å; V717-F721 WeakPolarHBondContact O-CD2 3.38Å; V717-F721 PolarHBondContact O-N 3.47Å; V717-Y753 HydrophobicContact CB-CD1 4.19Å; V717-Y753 HydrophobicContact CG1-CD1 3.37Å; V717-Y753 HydrophobicContact CG1-CE1 4.17Å; V717-Y753 HydrophobicContact CG1-CG 4.02Å
718Q66.8Low65.5Low88 Ų8866.2 Ų66.241%0.41137%0.371SS..Hα-helixtrans-53.8-40.9171.2-79.2173.4-17.100112.4V714 T715 I720 F721 S722 Y753V714-Q718 HydrophobicContact CG1-CG 4.43Å; V714-Q718 WeakPolarHBondContact O-CB 3.45Å; V714-Q718 VanDerWaalsContact O-CG 3.27Å; V714-Q718 WeakPolarHBondContact O-CG 3.28Å; V714-Q718 PolarHBondContact O-N 3.15Å; T715-Q718 PolarHBondContact O-N 2.9Å; Q718-I720 VanDerWaalsContact C-N 3.25Å; Q718-I720 PolarHBondContact O-N 3.2Å; Q718-F721 CarbonylContact O-C 3.49Å; Q718-F721 PolarHBondContact O-N 2.89Å; Q718-F721 VanDerWaalsContact O-N 3.1Å; Q718-S722 PolarHBondContact O-N 3.36Å; Q718-Y753 HydrophobicContact CG-CE1 4.07Å; Q718-Y753 HydrophobicContact CG-CE2 3.84Å; Q718-Y753 VanDerWaalsContact CG-CZ 3.5Å; Q718-Y753 WeakPolarHBondContact CG-OH 3.47Å
719S69.5Low65Low39 Ų3966.2 Ų66.227%0.27337%0.371SS..Hα-helixtrans-64.8-28178.381.10000113.3T715 L716 V717 S722 L725T715-S719 WeakPolarHBondContact O-CB 3.16Å; T715-S719 PolarHBondContact O-N 3.1Å; L716-S719 WeakPolarHBondContact O-CB 3.2Å; L716-S719 PolarHBondContact O-N 3Å; L716-S719 VanDerWaalsContact O-N 3.11Å; L716-S719 PolarHBondContact O-OG 3.22Å; V717-S719 PolarHBondContact O-N 3.27Å; S719-S722 PolarHBondContact O-OG 3.43Å; S719-L725 WeakPolarHBondContact O-CD1 3.43Å
720I69.3Low64.2Low5 Ų565.5 Ų65.53%0.02637%0.371CS..Hα-helixtrans-74.2-32.7174.6-62.4166.8000110.8L680 F683 W700 L716 V717 Q718 S722 L758L680-I720 HydrophobicContact CD2-CG2 4.05Å; F683-I720 HydrophobicContact CD1-CG1 4.21Å; F683-I720 HydrophobicContact CD2-CG1 3.9Å; F683-I720 HydrophobicContact CE1-CG1 4.08Å; F683-I720 HydrophobicContact CE2-CB 4.5Å; F683-I720 HydrophobicContact CE2-CG1 3.78Å; F683-I720 HydrophobicContact CG-CG1 4.11Å; F683-I720 HydrophobicContact CZ-CG1 3.86Å; W700-I720 HydrophobicContact CH2-CD1 3.52Å; W700-I720 HydrophobicContact CZ3-CD1 3.9Å; L716-I720 PolarHBondContact O-N 3.38Å; V717-I720 WeakPolarHBondContact O-CB 3.35Å; V717-I720 PolarHBondContact O-N 3.04Å; Q718-I720 VanDerWaalsContact C-N 3.25Å; Q718-I720 PolarHBondContact O-N 3.2Å; I720-S722 VanDerWaalsContact C-N 3.31Å; I720-L758 HydrophobicContact CG2-CD1 4.01Å
721F65.4Low63.2Low27 Ų2768.2 Ų68.212%0.11838%0.379CS..THydrogen-bonded Turntrans-91.918.3178.2-66.2-73.5000113.2V717 Q718 L726 L751 Y753 L761V717-F721 HydrophobicContact CG1-CD2 3.71Å; V717-F721 HydrophobicContact CG1-CE2 3.4Å; V717-F721 VanDerWaalsContact CG1-CE2 3.4Å; V717-F721 WeakPolarHBondContact O-CD2 3.38Å; V717-F721 PolarHBondContact O-N 3.47Å; Q718-F721 CarbonylContact O-C 3.49Å; Q718-F721 PolarHBondContact O-N 2.89Å; Q718-F721 VanDerWaalsContact O-N 3.1Å; F721-L726 HydrophobicContact CB-CD1 4.46Å; F721-L726 WeakPolarHBondContact O-CD1 3.42Å; F721-L751 HydrophobicContact CD1-CD2 4.42Å; F721-L751 HydrophobicContact CE1-CD2 4.15Å; F721-L751 HydrophobicContact CE2-CD2 4.36Å; F721-L751 HydrophobicContact CZ-CD2 4.15Å; F721-Y753 HydrophobicContact CD2-CD1 4.07Å; F721-Y753 AromaticContact CD2-CE1 3.8Å; F721-Y753 HydrophobicContact CD2-CE1 3.8Å; F721-Y753 HydrophobicContact CE2-CD1 4.15Å; F721-Y753 HydrophobicContact CE2-CE1 4.32Å; F721-L761 HydrophobicContact CD1-CD1 4.49Å; F721-L761 HydrophobicContact CD1-CD2 3.91Å; F721-L761 HydrophobicContact CE1-CB 3.79Å; F721-L761 HydrophobicContact CE1-CD1 4.16Å; F721-L761 HydrophobicContact CE1-CD2 3.53Å; F721-L761 HydrophobicContact CE1-CG 4Å; F721-L761 HydrophobicContact CZ-CB 4.42Å; F721-L761 HydrophobicContact CZ-CD2 4.48Å
722S67Low62.1Low38 Ų3867.5 Ų67.527%0.26638%0.379SS..  trans-65.6149.217567.40000110.6Q718 S719 I720 D724 L725 L726Q718-S722 PolarHBondContact O-N 3.36Å; S719-S722 PolarHBondContact O-OG 3.43Å; I720-S722 VanDerWaalsContact C-N 3.31Å; S722-D724 PolarHBondContact O-N 3.18Å; S722-L725 PolarHBondContact O-N 3.41Å; S722-L725 VanDerWaalsContact O-N 3.12Å; S722-L725 WeakPolarHBondContact OG-CG 3.5Å; S722-L726 WeakPolarHBondContact O-CG 3.3Å; S722-L726 PolarHBondContact O-N 2.92Å; S722-L726 VanDerWaalsContact O-N 3.1Å
723S64.4Low60.8Low96 Ų9664.7 Ų64.767%0.67137%0.369SS*.Hα-helixtrans-53.4-43.6179.8-1690000111.6L725 L726 D727S723-L725 VanDerWaalsContact C-N 3.27Å; S723-L725 PolarHBondContact O-N 3.09Å; S723-L726 CarbonylContact O-C 3.57Å; S723-L726 PolarHBondContact O-N 3.42Å; S723-L726 VanDerWaalsContact O-N 3.17Å; S723-D727 PolarHBondContact O-N 3.03Å
724D64.1Low59.7Low136 Ų13668.9 Ų68.973%0.72739%0.391SS*.Hα-helixtrans-62-32.7-177.8-50.5-22.9000113.2S722S722-D724 PolarHBondContact O-N 3.18Å
725L63.9Low58.5Low35 Ų3568.7 Ų68.718%0.18340%0.404CS..Hα-helixtrans-83.2-29.9178-68.3-177.2000112.5R679 F683 S719 S722 S723 D727 L729R679-L725 WeakPolarHBondContact CD-O 3.4Å; R679-L725 WeakPolarHBondContact O-CD2 2.97Å; F683-L725 HydrophobicContact CE2-CD1 3.65Å; F683-L725 HydrophobicContact CZ-CD1 4.2Å; S719-L725 WeakPolarHBondContact O-CD1 3.43Å; S722-L725 PolarHBondContact O-N 3.41Å; S722-L725 VanDerWaalsContact O-N 3.12Å; S722-L725 WeakPolarHBondContact OG-CG 3.5Å; S723-L725 VanDerWaalsContact C-N 3.27Å; S723-L725 PolarHBondContact O-N 3.09Å; L725-D727 VanDerWaalsContact C-N 3.32Å; L725-L729 WeakPolarHBondContact O-CD1 3.46Å; L725-L729 WeakPolarHBondContact O-CG 3.42Å
726L60.7Low57Low35 Ų3566.9 Ų66.918%0.18340%0.402CS..Hα-helixtrans-81.3-14.1176.9-65.3177.5000112.6F721 S722 S723 G728 L729 T730 L761F721-L726 HydrophobicContact CB-CD1 4.46Å; F721-L726 WeakPolarHBondContact O-CD1 3.42Å; S722-L726 WeakPolarHBondContact O-CG 3.3Å; S722-L726 PolarHBondContact O-N 2.92Å; S722-L726 VanDerWaalsContact O-N 3.1Å; S723-L726 CarbonylContact O-C 3.57Å; S723-L726 PolarHBondContact O-N 3.42Å; S723-L726 VanDerWaalsContact O-N 3.17Å; L726-G728 PolarHBondContact O-N 3.13Å; L726-L729 WeakPolarHBondContact O-CA 3.49Å; L726-L729 VanDerWaalsContact O-CB 3.28Å; L726-L729 WeakPolarHBondContact O-CB 3.47Å; L726-L729 PolarHBondContact O-N 3.07Å; L726-T730 PolarHBondContact O-N 3.17Å; L726-L761 HydrophobicContact CD2-CD1 3.99Å; L726-L761 HydrophobicContact CD2-CD2 3.66Å; L726-L761 HydrophobicContact CD2-CG 4.42Å
727D59.2Low55.8Low112 Ų11272 Ų7260%0.59943%0.426SS*.THydrogen-bonded Turntrans-66129.6179.6-159.412.8000112R679 S723 L725 L729R679-D727 PolarHBondContact NE-O 3.48Å; R679-D727 PolarHBondContact NH2-O 3.13Å; S723-D727 PolarHBondContact O-N 3.03Å; L725-D727 VanDerWaalsContact C-N 3.32Å; D727-L729 PolarHBondContact O-N 3.45Å
728G56.7Low54.4Low58 Ų5875.1 Ų75.160%0.59844%0.442SS*.THydrogen-bonded Turntrans74.5-7.5-166.500000115.4L726L726-G728 PolarHBondContact O-N 3.13Å
729L54.1Low53.1Low10 Ų1074.6 Ų74.65%0.05245%0.445CS..THydrogen-bonded Turntrans-93.8-23.8177.1-51.2-167.9000113.3L675 R679 L725 L726 D727 Q731 W765L675-L729 HydrophobicContact CD1-CD2 4.04Å; L675-L729 HydrophobicContact CD2-CD2 4.06Å; L675-L729 HydrophobicContact CG-CD2 4.04Å; R679-L729 HydrophobicContact CB-CD1 4.02Å; R679-L729 HydrophobicContact CG-CD1 4.02Å; R679-L729 HydrophobicContact CG-CD2 3.82Å; R679-L729 HydrophobicContact CG-CG 4.16Å; L725-L729 WeakPolarHBondContact O-CD1 3.46Å; L725-L729 WeakPolarHBondContact O-CG 3.42Å; L726-L729 WeakPolarHBondContact O-CA 3.49Å; L726-L729 VanDerWaalsContact O-CB 3.28Å; L726-L729 WeakPolarHBondContact O-CB 3.47Å; L726-L729 PolarHBondContact O-N 3.07Å; D727-L729 PolarHBondContact O-N 3.45Å; L729-Q731 PolarHBondContact O-N 3.38Å; L729-W765 HydrophobicContact CB-CD2 4.17Å; L729-W765 HydrophobicContact CB-CG 4.2Å; L729-W765 HydrophobicContact CB-CZ2 4.4Å; L729-W765 HydrophobicContact CD1-CD2 4.23Å; L729-W765 HydrophobicContact CD1-CE3 4.3Å; L729-W765 HydrophobicContact CD1-CH2 3.94Å; L729-W765 HydrophobicContact CD1-CZ2 3.92Å; L729-W765 HydrophobicContact CD1-CZ3 4.14Å; L729-W765 HydrophobicContact CD2-CD2 4.41Å; L729-W765 VanDerWaalsContact CD2-CE2 3.43Å; L729-W765 HydrophobicContact CD2-CH2 3.89Å; L729-W765 HydrophobicContact CD2-CZ2 3.14Å; L729-W765 HydrophobicContact CG-CH2 4.5Å; L729-W765 HydrophobicContact CG-CZ2 3.98Å
730T49.7Very low51.8Low91 Ų9179.8 Ų79.856%0.55847%0.469SS*.  trans-78.3118.5179.154.40000111.1L726L726-T730 PolarHBondContact O-N 3.17Å
731Q49.3Very low50.5Low100 Ų10084.5 Ų84.547%0.46749%0.494SS..  trans-74.1129.4154.7-82.3177.216.800107.6L729 A733L729-Q731 PolarHBondContact O-N 3.38Å; Q731-A733 PolarHBondContact O-N 3.06Å
732H41.1Very low49.2Very low189 Ų18986 Ų8688%0.87551%0.505SS*.  trans-63.190.1157.4-67.4-71.7000107
733A42.5Very low47.7Very low36 Ų3686.1 Ų86.130%0.29851%0.506SS..  trans-70.6132.3165.700000107.2Q731 G735 L738Q731-A733 PolarHBondContact O-N 3.06Å; A733-G735 PolarHBondContact O-N 3.38Å; A733-L738 HydrophobicContact CB-CD1 4.09Å; A733-L738 HydrophobicContact CB-CG 4.46Å
734E41.6Very low46.5Very low159 Ų15987.7 Ų87.774%0.74352%0.517SS*.  trans-53.2131.3165.7-71179.8169.300108G736 Q737E734-G736 PolarHBondContact O-N 2.92Å; E734-Q737 PolarHBondContact O-N 2.84Å
735G39.6Very low45.1Very low70 Ų7087.5 Ų87.572%0.72251%0.509SS*.THydrogen-bonded Turntrans-55.1-10.3-161.700000117.2A733A733-G735 PolarHBondContact O-N 3.38Å
736G38.5Very low43.6Very low48 Ų4891 Ų9150%0.49553%0.534SS..THydrogen-bonded Turntrans-85.2-19175.200000116E734 T739E734-G736 PolarHBondContact O-N 2.92Å; G736-T739 PolarHBondContact O-OG1 3.05Å
737Q43.9Very low42.4Very low119 Ų11993.4 Ų93.456%0.55655%0.554SS**Hα-helixtrans-81.4-27.7-175-71.1-1724.700113.9E734 L741E734-Q737 PolarHBondContact O-N 2.84Å; Q737-L741 PolarHBondContact O-N 2.97Å
738L35.2Very low41.2Very low86 Ų8693.2 Ų93.245%0.4555%0.553SS.*Hα-helixtrans-70.2-33.5-179.4-97.7152.3000112.5A733 V742 V764A733-L738 HydrophobicContact CB-CD1 4.09Å; A733-L738 HydrophobicContact CB-CG 4.46Å; L738-V742 HydrophobicContact CD2-CG2 4.34Å; L738-V742 PolarHBondContact O-N 3.22Å; L738-V764 HydrophobicContact CD2-CG1 4.2Å; L738-V764 HydrophobicContact CD2-CG2 4.41Å
739T38.8Very low40.1Very low78 Ų7897 Ų9748%0.47956%0.559SS.*Hα-helixtrans-65.9-38.4178.246.70000111.8G736 C743G736-T739 PolarHBondContact O-OG1 3.05Å; T739-C743 CarbonylContact O-C 3.6Å
740D43.7Very low39Very low148 Ų148100.5 Ų100.579%0.79158%0.582SS**Hα-helixtrans-78.7-32.5-177.6-76.1-5.7000113.3
741L40.2Very low38.4Very low104 Ų104100.8 Ų100.855%0.54558%0.58SS.*Hα-helixtrans-83.9-31.3-173.8-98.8148000114.3Q737Q737-L741 PolarHBondContact O-N 2.97Å
742V38.9Very low37.7Very low57 Ų57100.8 Ų100.835%0.34559%0.586SS.*Hα-helixtrans-110.1-29.8-169.4-176.10000113.4L738 V764L738-V742 HydrophobicContact CD2-CG2 4.34Å; L738-V742 PolarHBondContact O-N 3.22Å; V742-V764 HydrophobicContact CG2-CG2 3.53Å
743C35.6Very low37.7Very low42 Ų4295.5 Ų95.528%0.28456%0.559SS.*  trans-157.5118.5-175.4-89.40000112.9T739 K745T739-C743 CarbonylContact O-C 3.6Å; C743-K745 WeakPolarHBondContact CB-O 3.36Å; C743-K745 PolarHBondContact O-N 3.36Å
744S39.3Very low38Very low129 Ų12997.3 Ų97.390%0.90256%0.564SS**SBendtrans-66.26.5163.852.60000113.7
745K35.5Very low38.5Very low132 Ų13291.3 Ų91.357%0.57454%0.537SS*.SBendtrans-143.6120.6173.2-66.7-171.1178.6-177.90111.4C743 S747C743-K745 WeakPolarHBondContact CB-O 3.36Å; C743-K745 PolarHBondContact O-N 3.36Å; K745-S747 PolarHBondContact O-N 3Å; K745-S747 VanDerWaalsContact O-N 3.1Å
746P32.6Very low39.4Very low108 Ų10890.9 Ų90.970%0.70152%0.522SS*.G310 helixtrans-63.8-15.2177.6-15.526.8000114D748 L749P746-D748 PolarHBondContact O-N 3.04Å; P746-L749 WeakPolarHBondContact O-CB 3.4Å; P746-L749 PolarHBondContact O-N 3.28Å
747S35Very low40.6Very low86 Ų8689.1 Ų89.160%0.60150%0.502SS*.G310 helixtrans-71.1-11.5-175.454.80000114.5K745 L749K745-S747 PolarHBondContact O-N 3Å; K745-S747 VanDerWaalsContact O-N 3.1Å; S747-L749 VanDerWaalsContact C-N 3.28Å; S747-L749 PolarHBondContact O-N 2.96Å
748D33.9Very low41.7Very low107 Ų10784.2 Ų84.257%0.57248%0.48SS*.G310 helixtrans-92.417.4178.6-66-18000112.6P746 P750P746-D748 PolarHBondContact O-N 3.04Å; D748-P750 VanDerWaalsContact O-O 3.13Å
749L32.4Very low43.2Very low138 Ų13881.1 Ų81.172%0.72346%0.464SS*.  trans-79.3-2.2179.3-110.5115.9000118.8P746 S747 L751P746-L749 WeakPolarHBondContact O-CB 3.4Å; P746-L749 PolarHBondContact O-N 3.28Å; S747-L749 VanDerWaalsContact C-N 3.28Å; S747-L749 PolarHBondContact O-N 2.96Å; L749-L751 PolarHBondContact O-N 3.48Å
750P32.5Very low44.6Very low83 Ų8380.8 Ų80.854%0.53946%0.459SS..SBendtrans-64.6128152.92.913.8000104.8D748 V752D748-P750 VanDerWaalsContact O-O 3.13Å; P750-V752 HydrophobicContact CB-CG2 3.97Å; P750-V752 HydrophobicContact CG-CG2 4.16Å; P750-V752 PolarHBondContact O-N 3Å
751L35.8Very low45.7Very low97 Ų9775.8 Ų75.851%0.50843%0.433SS..  trans-56.678157.6-91.8131.7000107F721 L749 Y753F721-L751 HydrophobicContact CD1-CD2 4.42Å; F721-L751 HydrophobicContact CE1-CD2 4.15Å; F721-L751 HydrophobicContact CE2-CD2 4.36Å; F721-L751 HydrophobicContact CZ-CD2 4.15Å; L749-L751 PolarHBondContact O-N 3.48Å; L751-Y753 HydrophobicContact CB-CD1 4.46Å; L751-Y753 HydrophobicContact CB-CE1 4.2Å; L751-Y753 HydrophobicContact CD2-CE1 4.44Å; L751-Y753 VanDerWaalsContact O-CD2 3.31Å; L751-Y753 WeakPolarHBondContact O-CD2 3.28Å; L751-Y753 PolarHBondContact O-N 3.36Å
752V34.3Very low47.1Very low100 Ų10070.9 Ų70.961%0.60641%0.407SS*.  trans-69.992.8167.3179.70000102.2P750 N754 S757P750-V752 HydrophobicContact CB-CG2 3.97Å; P750-V752 HydrophobicContact CG-CG2 4.16Å; P750-V752 PolarHBondContact O-N 3Å; V752-N754 PolarHBondContact O-N 3.39Å; V752-S757 PolarHBondContact O-OG 3.05Å
753Y43Very low48.6Very low79 Ų7969.2 Ų69.231%0.3140%0.398SS..  trans-53.384-176.3-63.6-72.3000110.2V714 V717 Q718 F721 L751V714-Y753 HydrophobicContact CG1-CD2 4.25Å; V717-Y753 HydrophobicContact CB-CD1 4.19Å; V717-Y753 HydrophobicContact CG1-CD1 3.37Å; V717-Y753 HydrophobicContact CG1-CE1 4.17Å; V717-Y753 HydrophobicContact CG1-CG 4.02Å; Q718-Y753 HydrophobicContact CG-CE1 4.07Å; Q718-Y753 HydrophobicContact CG-CE2 3.84Å; Q718-Y753 VanDerWaalsContact CG-CZ 3.5Å; Q718-Y753 WeakPolarHBondContact CG-OH 3.47Å; F721-Y753 HydrophobicContact CD2-CD1 4.07Å; F721-Y753 AromaticContact CD2-CE1 3.8Å; F721-Y753 HydrophobicContact CD2-CE1 3.8Å; F721-Y753 HydrophobicContact CE2-CD1 4.15Å; F721-Y753 HydrophobicContact CE2-CE1 4.32Å; L751-Y753 HydrophobicContact CB-CD1 4.46Å; L751-Y753 HydrophobicContact CB-CE1 4.2Å; L751-Y753 HydrophobicContact CD2-CE1 4.44Å; L751-Y753 VanDerWaalsContact O-CD2 3.31Å; L751-Y753 WeakPolarHBondContact O-CD2 3.28Å; L751-Y753 PolarHBondContact O-N 3.36Å
754N48.3Very low50.1Low74 Ų7469.7 Ų69.740%0.39640%0.399SS..  trans-106.3166173.262.620.3000108.2V752 C756 S757V752-N754 PolarHBondContact O-N 3.39Å; N754-C756 PolarHBondContact O-N 2.92Å; N754-C756 VanDerWaalsContact O-N 3.08Å; N754-C756 VanDerWaalsContact OD1-C 3.32Å; N754-C756 WeakPolarHBondContact OD1-CA 3.42Å; N754-C756 VanDerWaalsContact OD1-CB 3.29Å; N754-C756 WeakPolarHBondContact OD1-CB 3.26Å; N754-C756 PolarHBondContact OD1-N 3.26Å; N754-S757 PolarHBondContact N-OG 3.28Å; N754-S757 WeakPolarHBondContact O-CB 3.01Å; N754-S757 PolarHBondContact O-N 2.96Å; N754-S757 PolarHBondContact O-OG 2.6Å; N754-S757 PolarHBondContact OD1-N 3.18Å; N754-S757 PolarHBondContact OD1-OG 3.12Å
755D51Low51.4Low32 Ų3264.9 Ų64.917%0.17136%0.361CS..Hα-helixtrans-57.2-26.3177.2-64.8-45.5000111.9R713 S757 Y776R713-D755 IonicContact CZ-OD1 2.82Å; R713-D755 IonicContact CZ-OD2 2.75Å; R713-D755 IonicContact NH1-OD2 3.79Å; R713-D755 IonicContact NH2-OD1 2.62Å; R713-D755 PolarHBondContact NH2-OD1 3.45Å; R713-D755 IonicContact NH2-OD2 3.43Å; R713-D755 PolarHBondContact NH2-OD2 2.77Å; D755-S757 VanDerWaalsContact C-N 3.34Å; D755-S757 PolarHBondContact O-N 3.27Å; D755-Y776 HydrophobicContact CB-CE1 3.63Å
756C58.4Low53Low62 Ų6258.6 Ų58.642%0.41933%0.334SS..Hα-helixtrans-72.6-19.3174.5-55.50000113.6N754 L758 V759 N760N754-C756 PolarHBondContact O-N 2.92Å; N754-C756 VanDerWaalsContact O-N 3.08Å; N754-C756 VanDerWaalsContact OD1-C 3.32Å; N754-C756 WeakPolarHBondContact OD1-CA 3.42Å; N754-C756 VanDerWaalsContact OD1-CB 3.29Å; N754-C756 WeakPolarHBondContact OD1-CB 3.26Å; N754-C756 PolarHBondContact OD1-N 3.26Å; C756-L758 PolarHBondContact O-N 3.25Å; C756-V759 PolarHBondContact O-N 3.1Å; C756-N760 VanDerWaalsContact O-CB 3.27Å; C756-N760 WeakPolarHBondContact O-CB 3.45Å; C756-N760 PolarHBondContact O-N 3.35Å; C756-N760 PolarHBondContact O-ND2 3.1Å; C756-N760 PolarHBondContact O-OD1 2.96Å
757S63.9Low54.9Low11 Ų1156.3 Ų56.38%0.07732%0.316CS..Hα-helixtrans-64.6-42.9-177.9-55.90000111.4V752 N754 D755 N760 L761V752-S757 PolarHBondContact O-OG 3.05Å; N754-S757 PolarHBondContact N-OG 3.28Å; N754-S757 WeakPolarHBondContact O-CB 3.01Å; N754-S757 PolarHBondContact O-N 2.96Å; N754-S757 PolarHBondContact O-OG 2.6Å; N754-S757 PolarHBondContact OD1-N 3.18Å; N754-S757 PolarHBondContact OD1-OG 3.12Å; D755-S757 VanDerWaalsContact C-N 3.34Å; D755-S757 PolarHBondContact O-N 3.27Å; S757-N760 PolarHBondContact O-N 2.88Å; S757-L761 WeakPolarHBondContact O-CB 3.36Å; S757-L761 PolarHBondContact O-N 3.32Å
758L66.8Low56.8Low16 Ų1658.4 Ų58.48%0.08432%0.315CS..Hα-helixtrans-65.2-42.7175178.762.9000110.8I611 F684 W700 I720 C756 N760 L761 L762I611-L758 HydrophobicContact CD1-CD2 3.77Å; I611-L758 HydrophobicContact CD1-CG 4.47Å; F684-L758 HydrophobicContact CE2-CD2 4.01Å; F684-L758 HydrophobicContact CZ-CD2 3.49Å; F684-L758 VanDerWaalsContact CZ-CD2 3.49Å; W700-L758 HydrophobicContact CH2-CD2 4.45Å; W700-L758 HydrophobicContact CZ2-CD2 4.24Å; I720-L758 HydrophobicContact CG2-CD1 4.01Å; C756-L758 PolarHBondContact O-N 3.25Å; L758-N760 VanDerWaalsContact C-N 3.32Å; L758-N760 PolarHBondContact O-N 3.45Å; L758-L761 WeakPolarHBondContact O-CB 3.41Å; L758-L761 PolarHBondContact O-N 2.92Å; L758-L762 HydrophobicContact CD1-CG 4.36Å; L758-L762 HydrophobicContact CG-CD1 4.32Å; L758-L762 HydrophobicContact CG-CG 4.49Å; L758-L762 WeakPolarHBondContact O-CG 3.34Å; L758-L762 PolarHBondContact O-N 3.17Å
759V68.1Low58.9Low21 Ų2155.3 Ų55.313%0.12730%0.296CS..Hα-helixtrans-62.4-40.9177.5178.70000111.2C756 L762 S763 I774 Y776C756-V759 PolarHBondContact O-N 3.1Å; V759-L762 PolarHBondContact O-N 3.32Å; V759-S763 WeakPolarHBondContact O-CB 3.37Å; V759-S763 PolarHBondContact O-N 3.38Å; V759-S763 PolarHBondContact O-OG 3.47Å; V759-I774 HydrophobicContact CG1-CB 3.77Å; V759-I774 HydrophobicContact CG1-CD1 4.02Å; V759-I774 HydrophobicContact CG1-CG1 4.45Å; V759-I774 HydrophobicContact CG1-CG2 3.94Å; V759-I774 WeakPolarHBondContact O-CD1 3.39Å; V759-Y776 HydrophobicContact CG2-CD2 3.97Å; V759-Y776 HydrophobicContact CG2-CG 3.99Å
760N66.9Low61.1Low70 Ų7048.8 Ų48.837%0.37426%0.262SS..Hα-helixtrans-67.6-36.3176.3-70.6-12.3000111.9C756 S757 L758 S763 V764C756-N760 VanDerWaalsContact O-CB 3.27Å; C756-N760 WeakPolarHBondContact O-CB 3.45Å; C756-N760 PolarHBondContact O-N 3.35Å; C756-N760 PolarHBondContact O-ND2 3.1Å; C756-N760 PolarHBondContact O-OD1 2.96Å; S757-N760 PolarHBondContact O-N 2.88Å; L758-N760 VanDerWaalsContact C-N 3.32Å; L758-N760 PolarHBondContact O-N 3.45Å; N760-S763 WeakPolarHBondContact CA-OG 2.93Å; N760-S763 PolarHBondContact O-OG 3.05Å; N760-V764 VanDerWaalsContact O-CG2 3.3Å; N760-V764 WeakPolarHBondContact O-CG2 3.43Å; N760-V764 PolarHBondContact O-N 3.37Å; N760-V764 VanDerWaalsContact O-N 3.14Å
761L67.3Low63.2Low44 Ų4448.2 Ų48.223%0.2325%0.254CS..Hα-helixtrans-65-50.4172.5-179.477.7000110.9F721 L726 S757 L758 S763 V764 W765F721-L761 HydrophobicContact CD1-CD1 4.49Å; F721-L761 HydrophobicContact CD1-CD2 3.91Å; F721-L761 HydrophobicContact CE1-CB 3.79Å; F721-L761 HydrophobicContact CE1-CD1 4.16Å; F721-L761 HydrophobicContact CE1-CD2 3.53Å; F721-L761 HydrophobicContact CE1-CG 4Å; F721-L761 HydrophobicContact CZ-CB 4.42Å; F721-L761 HydrophobicContact CZ-CD2 4.48Å; L726-L761 HydrophobicContact CD2-CD1 3.99Å; L726-L761 HydrophobicContact CD2-CD2 3.66Å; L726-L761 HydrophobicContact CD2-CG 4.42Å; S757-L761 WeakPolarHBondContact O-CB 3.36Å; S757-L761 PolarHBondContact O-N 3.32Å; L758-L761 WeakPolarHBondContact O-CB 3.41Å; L758-L761 PolarHBondContact O-N 2.92Å; L761-S763 PolarHBondContact O-N 3.05Å; L761-V764 PolarHBondContact O-N 3.46Å; L761-W765 WeakPolarHBondContact O-CB 3.38Å; L761-W765 PolarHBondContact O-N 3.22Å
762L70Confident64.8Low1 Ų147.7 Ų47.71%0.00525%0.251CS..Hα-helixtrans-59.8-37.2179.4-69.1178.6000111.4I611 L613 L680 L698 L758 V759 W765 A766 I774I611-L762 HydrophobicContact CD1-CD1 4.42Å; I611-L762 HydrophobicContact CG2-CD1 4.47Å; L613-L762 HydrophobicContact CD2-CD1 4.06Å; L680-L762 HydrophobicContact CD1-CD2 4.01Å; L698-L762 HydrophobicContact CD1-CD1 4.07Å; L758-L762 HydrophobicContact CD1-CG 4.36Å; L758-L762 HydrophobicContact CG-CD1 4.32Å; L758-L762 HydrophobicContact CG-CG 4.49Å; L758-L762 WeakPolarHBondContact O-CG 3.34Å; L758-L762 PolarHBondContact O-N 3.17Å; V759-L762 PolarHBondContact O-N 3.32Å; L762-W765 HydrophobicContact CD2-CE3 3.53Å; L762-W765 HydrophobicContact CD2-CZ3 3.6Å; L762-A766 PolarHBondContact O-N 3.35Å; L762-I774 HydrophobicContact CB-CD1 3.84Å
763S70Confident66.4Low21 Ų2147.6 Ų47.615%0.14725%0.253CS..Hα-helixtrans-67.5-39.6178.167.20000112.8V759 N760 L761 L772V759-S763 WeakPolarHBondContact O-CB 3.37Å; V759-S763 PolarHBondContact O-N 3.38Å; V759-S763 PolarHBondContact O-OG 3.47Å; N760-S763 WeakPolarHBondContact CA-OG 2.93Å; N760-S763 PolarHBondContact O-OG 3.05Å; L761-S763 PolarHBondContact O-N 3.05Å; S763-L772 VanDerWaalsContact CB-CD2 3.41Å
764V66.6Low67.3Low53 Ų5344.7 Ų44.732%0.32124%0.242SC..Hα-helixtrans-72.2-48.9175.6173.70000110.9L738 V742 N760 L761L738-V764 HydrophobicContact CD2-CG1 4.2Å; L738-V764 HydrophobicContact CD2-CG2 4.41Å; V742-V764 HydrophobicContact CG2-CG2 3.53Å; N760-V764 VanDerWaalsContact O-CG2 3.3Å; N760-V764 WeakPolarHBondContact O-CG2 3.43Å; N760-V764 PolarHBondContact O-N 3.37Å; N760-V764 VanDerWaalsContact O-N 3.14Å; L761-V764 PolarHBondContact O-N 3.46Å
765W66.8Low68Low27 Ų2745.5 Ų45.510%0.10225%0.247CC..Hα-helixtrans-60.8-53-175.6167.332.5000112.4F672 L675 L676 L680 L729 L761 L762F672-W765 HydrophobicContact CE2-CH2 4.25Å; F672-W765 HydrophobicContact CE2-CZ2 4.01Å; L675-W765 HydrophobicContact CD2-CZ2 3.85Å; L675-W765 HydrophobicContact CG-CZ2 4.08Å; L676-W765 HydrophobicContact CD2-CH2 3.31Å; L676-W765 HydrophobicContact CD2-CZ3 3.31Å; L676-W765 HydrophobicContact CG-CH2 3.95Å; L676-W765 HydrophobicContact CG-CZ3 4.38Å; L680-W765 HydrophobicContact CD1-CZ3 4.21Å; L729-W765 HydrophobicContact CB-CD2 4.17Å; L729-W765 HydrophobicContact CB-CG 4.2Å; L729-W765 HydrophobicContact CB-CZ2 4.4Å; L729-W765 HydrophobicContact CD1-CD2 4.23Å; L729-W765 HydrophobicContact CD1-CE3 4.3Å; L729-W765 HydrophobicContact CD1-CH2 3.94Å; L729-W765 HydrophobicContact CD1-CZ2 3.92Å; L729-W765 HydrophobicContact CD1-CZ3 4.14Å; L729-W765 HydrophobicContact CD2-CD2 4.41Å; L729-W765 VanDerWaalsContact CD2-CE2 3.43Å; L729-W765 HydrophobicContact CD2-CH2 3.89Å; L729-W765 HydrophobicContact CD2-CZ2 3.14Å; L729-W765 HydrophobicContact CG-CH2 4.5Å; L729-W765 HydrophobicContact CG-CZ2 3.98Å; L761-W765 WeakPolarHBondContact O-CB 3.38Å; L761-W765 PolarHBondContact O-N 3.22Å; L762-W765 HydrophobicContact CD2-CE3 3.53Å; L762-W765 HydrophobicContact CD2-CZ3 3.6Å
766A70.1Confident68.6Low1 Ų146 Ų461%0.00825%0.247CC..THydrogen-bonded Turntrans-105.525.7-167.700000112.2F672 L762 K768 F769 I770F672-A766 HydrophobicContact CE1-CB 4.44Å; F672-A766 HydrophobicContact CE2-CB 3.75Å; F672-A766 HydrophobicContact CZ-CB 3.43Å; F672-A766 VanDerWaalsContact CZ-CB 3.43Å; L762-A766 PolarHBondContact O-N 3.35Å; A766-K768 PolarHBondContact O-N 3.16Å; A766-K768 VanDerWaalsContact O-N 3.1Å; A766-F769 CarbonylContact O-C 3.45Å; A766-F769 WeakPolarHBondContact O-CA 3.45Å; A766-F769 PolarHBondContact O-N 2.87Å; A766-I770 HydrophobicContact CB-CD1 3.36Å; A766-I770 HydrophobicContact CB-CG1 3.79Å; A766-I770 PolarHBondContact O-N 3.41Å
767N72.6Confident68.6Low59 Ų5947.3 Ų47.332%0.31625%0.249SC..THydrogen-bonded Turntrans-54.1-32.6175.8-173.50.5000111.7K616 F769K616-N767 WeakPolarHBondContact CE-O 3.27Å; K616-N767 PolarHBondContact NZ-O 2.85Å; K616-N767 PolarHBondContact NZ-OD1 2.71Å; K616-N767 VanDerWaalsContact NZ-OD1 3.14Å; N767-F769 PolarHBondContact O-N 3.11Å
768K74.8Confident67.9Low131 Ų13150.6 Ų50.657%0.5727%0.266SS*.THydrogen-bonded Turntrans-67.1-23.3174.4-70.3-176-178.71690113.8A766A766-K768 PolarHBondContact O-N 3.16Å; A766-K768 VanDerWaalsContact O-N 3.1Å
769F76.8Confident66.8Low41 Ų4152.1 Ų52.118%0.1827%0.274CS..THydrogen-bonded Turntrans-109.8-27.9-172.8-65.1-94.7000114.9V615 K616 I619 P668 W671 F672 A766 N767V615-F769 WeakPolarHBondContact CA-O 3.46Å; K616-F769 PolarHBondContact N-O 3.42Å; I619-F769 VanDerWaalsContact CD1-CA 3.42Å; I619-F769 HydrophobicContact CD1-CB 3.91Å; I619-F769 HydrophobicContact CD1-CD1 3.36Å; I619-F769 HydrophobicContact CD1-CE1 4.12Å; I619-F769 HydrophobicContact CD1-CG 3.85Å; I619-F769 HydrophobicContact CG1-CD1 4.34Å; P668-F769 HydrophobicContact CB-CE1 4.04Å; W671-F769 HydrophobicContact CE3-CE1 4.28Å; W671-F769 AromaticContact CE3-CZ 3.99Å; W671-F769 HydrophobicContact CE3-CZ 3.99Å; W671-F769 HydrophobicContact CZ3-CE1 4.34Å; W671-F769 HydrophobicContact CZ3-CE2 4.13Å; W671-F769 AromaticContact CZ3-CZ 3.64Å; W671-F769 HydrophobicContact CZ3-CZ 3.64Å; F672-F769 HydrophobicContact CB-CD1 3.81Å; F672-F769 HydrophobicContact CB-CE1 3.97Å; F672-F769 HydrophobicContact CB-CG 4.42Å; F672-F769 HydrophobicContact CD1-CB 4.03Å; F672-F769 HydrophobicContact CD1-CD1 4.31Å; F672-F769 HydrophobicContact CD1-CG 4.28Å; F672-F769 HydrophobicContact CD2-CB 4.39Å; F672-F769 HydrophobicContact CD2-CD1 4.25Å; F672-F769 HydrophobicContact CD2-CD2 4.15Å; F672-F769 HydrophobicContact CD2-CG 4.02Å; F672-F769 HydrophobicContact CE1-CB 4.04Å; F672-F769 HydrophobicContact CE2-CB 4.42Å; F672-F769 HydrophobicContact CE2-CD2 4.42Å; F672-F769 HydrophobicContact CE2-CG 4.41Å; F672-F769 HydrophobicContact CG-CB 4.22Å; F672-F769 AromaticContact CG-CD1 3.86Å; F672-F769 HydrophobicContact CG-CD1 3.86Å; F672-F769 HydrophobicContact CG-CE1 4.38Å; F672-F769 AromaticContact CG-CG 3.98Å; F672-F769 HydrophobicContact CG-CG 3.98Å; F672-F769 HydrophobicContact CZ-CB 4.26Å; A766-F769 CarbonylContact O-C 3.45Å; A766-F769 WeakPolarHBondContact O-CA 3.45Å; A766-F769 PolarHBondContact O-N 2.87Å; N767-F769 PolarHBondContact O-N 3.11Å
770I80Confident65.3Low1 Ų154 Ų541%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-117.2134.3-168.6-57175.1000110.9L613 N614 K616 F672 A766 I774L613-I770 HydrophobicContact CB-CD1 3.95Å; L613-I770 HydrophobicContact CB-CG1 4.3Å; L613-I770 HydrophobicContact CB-CG2 4.23Å; L613-I770 HydrophobicContact CD1-CD1 3.73Å; L613-I770 HydrophobicContact CD2-CD1 4Å; L613-I770 HydrophobicContact CG-CD1 4.07Å; N614-I770 CarbonylContact O-C 3.59Å; N614-I770 VanDerWaalsContact O-CA 3.23Å; N614-I770 WeakPolarHBondContact O-CA 3.46Å; N614-I770 WeakPolarHBondContact O-CG2 3.2Å; K616-I770 WeakPolarHBondContact CE-O 3.4Å; F672-I770 HydrophobicContact CE1-CD1 4.14Å; F672-I770 HydrophobicContact CE1-CG1 4.13Å; F672-I770 HydrophobicContact CZ-CD1 4Å; F672-I770 HydrophobicContact CZ-CG1 4.31Å; A766-I770 HydrophobicContact CB-CD1 3.36Å; A766-I770 HydrophobicContact CB-CG1 3.79Å; A766-I770 PolarHBondContact O-N 3.41Å; I770-I774 HydrophobicContact CG2-CG1 4.18Å
771D76.1Confident63.5Low71 Ų7158 Ų5838%0.3831%0.307SS..EExtended strand (participates in β ladder)trans-82.7135.9167.4-82.3-35.2000110.7N614 K616N614-D771 HydrophobicContact CB-CB 4.37Å; N614-D771 PolarHBondContact O-N 3.34Å; K616-D771 WeakPolarHBondContact CA-OD2 3.21Å; K616-D771 WeakPolarHBondContact CG-OD1 3.45Å
772L68.7Low61.6Low86 Ų8659.3 Ų59.345%0.4533%0.331SS..EExtended strand (participates in β ladder)trans-92.5149.2177-60.5175.6000111.1S763 I774S763-L772 VanDerWaalsContact CB-CD2 3.41Å; L772-I774 HydrophobicContact CD2-CD1 4.36Å; L772-I774 HydrophobicContact CD2-CG1 4.14Å
773P68.5Low59.4Low99 Ų9964.1 Ų64.164%0.64336%0.356SS*.EExtended strand (participates in β ladder)cis-81.4154.22.133.5-35.1000113.4
774I61.2Low57.1Low17 Ų1772.9 Ų72.99%0.08739%0.392CS..EExtended strand (participates in β ladder)trans-75.3129.8170-67.8166.9000108.4I611 L613 V759 L762 I770 L772 Y776I611-I774 HydrophobicContact CG2-CG2 3.57Å; L613-I774 HydrophobicContact CD2-CB 4.47Å; L613-I774 HydrophobicContact CD2-CD1 3.92Å; L613-I774 HydrophobicContact CD2-CG1 3.93Å; L613-I774 HydrophobicContact CD2-CG2 3.75Å; V759-I774 HydrophobicContact CG1-CB 3.77Å; V759-I774 HydrophobicContact CG1-CD1 4.02Å; V759-I774 HydrophobicContact CG1-CG1 4.45Å; V759-I774 HydrophobicContact CG1-CG2 3.94Å; V759-I774 WeakPolarHBondContact O-CD1 3.39Å; L762-I774 HydrophobicContact CB-CD1 3.84Å; I770-I774 HydrophobicContact CG2-CG1 4.18Å; L772-I774 HydrophobicContact CD2-CD1 4.36Å; L772-I774 HydrophobicContact CD2-CG1 4.14Å; I774-Y776 PolarHBondContact O-N 3.2Å
775N64.3Low55Low91 Ų9176 Ų7649%0.48741%0.411SS..EExtended strand (participates in β ladder)trans-81.7118.7175.5-70.6-35.6000108.8V612V612-N775 HydrophobicContact CB-CB 4.28Å; V612-N775 PolarHBondContact N-O 3.13Å; V612-N775 PolarHBondContact O-N 3.49Å
776Y63.5Low52.8Low42 Ų4279.4 Ų79.417%0.16544%0.439CS..EExtended strand (participates in β ladder)trans-125.1123.8179.6-179.9-103.5000110I611 D755 V759 I774 N778I611-Y776 HydrophobicContact CD1-CD2 4.17Å; I611-Y776 HydrophobicContact CD1-CE2 4.2Å; I611-Y776 HydrophobicContact CG1-CD2 3.8Å; I611-Y776 HydrophobicContact CG1-CE2 4Å; D755-Y776 HydrophobicContact CB-CE1 3.63Å; V759-Y776 HydrophobicContact CG2-CD2 3.97Å; V759-Y776 HydrophobicContact CG2-CG 3.99Å; I774-Y776 PolarHBondContact O-N 3.2Å; Y776-N778 WeakPolarHBondContact CD1-OD1 3.45Å; Y776-N778 HydrophobicContact CE1-CB 4.49Å; Y776-N778 WeakPolarHBondContact CE1-OD1 3.49Å; Y776-N778 PolarHBondContact O-N 2.88Å
777N58.5Low50.6Low90 Ų9088.6 Ų88.648%0.48148%0.479SS..  trans-85.2106.8172.4-74.4-30.7000108.2I609 D610 L779I609-N777 PolarHBondContact O-ND2 3.26Å; D610-N777 PolarHBondContact O-N 3.32Å; N777-L779 PolarHBondContact O-N 3.32Å; N777-L779 VanDerWaalsContact O-N 3.09Å
778N49Very low48.1Very low81 Ų8195.5 Ų95.543%0.43351%0.506SS..  trans-57115.9175.8-80.6-16.2000110.9Y776 T780 N781Y776-N778 WeakPolarHBondContact CD1-OD1 3.45Å; Y776-N778 HydrophobicContact CE1-CB 4.49Å; Y776-N778 WeakPolarHBondContact CE1-OD1 3.49Å; Y776-N778 PolarHBondContact O-N 2.88Å; N778-T780 PolarHBondContact O-N 2.89Å; N778-T780 VanDerWaalsContact O-N 3.08Å; N778-N781 PolarHBondContact O-N 3.31Å
779L43.6Very low45.7Very low47 Ų4799.8 Ų99.825%0.24652%0.518CS..G310 helixtrans-56.7-21.2171.1-83.6151.8000112.5I708 N777 N781 G782I708-L779 HydrophobicContact CG2-CD1 4.15Å; N777-L779 PolarHBondContact O-N 3.32Å; N777-L779 VanDerWaalsContact O-N 3.09Å; L779-N781 PolarHBondContact O-N 3.06Å; L779-G782 PolarHBondContact O-N 3.41Å
780T36.4Very low43Very low61 Ų61107.3 Ų107.337%0.37455%0.551SS.*G310 helixtrans-68.8-12.4-179.353.40000114.8N778 G782 I783N778-T780 PolarHBondContact O-N 2.89Å; N778-T780 VanDerWaalsContact O-N 3.08Å; T780-G782 PolarHBondContact O-N 2.96Å; T780-I783 PolarHBondContact O-N 3.47Å
781N29.6Very low40.4Very low153 Ų153114.2 Ų114.282%0.81858%0.583SS**G310 helixtrans-67.7-11.1172.4-82.4-12.9000113.6N778 L779N778-N781 PolarHBondContact O-N 3.31Å; L779-N781 PolarHBondContact O-N 3.06Å
782G26.2Very low37.9Very low72 Ų72118.2 Ų118.274%0.74261%0.605SS**G310 helixtrans-79.2-18.6169.700000114.2L779 T780 K784L779-G782 PolarHBondContact O-N 3.41Å; T780-G782 PolarHBondContact O-N 2.96Å; G782-K784 PolarHBondContact O-N 2.94Å
783I24.4Very low35.9Very low103 Ų103121.6 Ų121.653%0.52862%0.622SS.*SBendtrans-96.6102.4179.3-53.2175.9000106.8T780 T785T780-I783 PolarHBondContact O-N 3.47Å; I783-T785 HydrophobicContact CG2-CG2 3.79Å; I783-T785 PolarHBondContact O-N 3.49Å
784K22.1Very low33.9Very low205 Ų205121.1 Ų121.189%0.89162%0.621SS**  trans-57.778.9163.4-72.7179.6178175.70108.7G782 S786G782-K784 PolarHBondContact O-N 2.94Å; K784-S786 PolarHBondContact O-N 2.91Å
785T22.6Very low32.3Very low119 Ų119128.9 Ų128.973%0.7366%0.656SS**  trans-72.991.4166.446.50000106.3I783I783-T785 HydrophobicContact CG2-CG2 3.79Å; I783-T785 PolarHBondContact O-N 3.49Å
786S20.1Very low30.7Very low98 Ų98132.9 Ų132.969%0.68567%0.669SS**  trans-48.8143158.650.10000109.4K784K784-S786 PolarHBondContact O-N 2.91Å
787K22.9Very low29.1Very low193 Ų193137.7 Ų137.784%0.83970%0.698SS**SBendtrans9695.2173.7-56.5178.3178.51760116.5
788K21.8Very low27.8Very low205 Ų205138.6 Ų138.689%0.89171%0.707SS**  37.8103.4127.3-71.6179.7175176.20116.2
789R22.8Very low27.2Very low220 Ų220139.8 Ų139.883%0.8372%0.717SS**  trans-138.999.8133.2-96.8-177.1179.3166.7-0.6109.4H791R789-H791 VanDerWaalsContact C-N 3.33Å; R789-H791 PolarHBondContact O-N 3.42Å
790K21.1Very low26.8Very low199 Ų199146 Ų14687%0.86574%0.742SS**  trans-61.796.1157.8-77179.3172.6-178.90106.9
791H25Very low26.6Very low147 Ų147153 Ų15368%0.68176%0.763SS**  trans-97.5103.5160.9-96.3-60000108.1R789 I793R789-H791 VanDerWaalsContact C-N 3.33Å; R789-H791 PolarHBondContact O-N 3.42Å; H791-I793 VanDerWaalsContact C-N 3.3Å; H791-I793 PolarHBondContact O-N 2.97Å
792N23.7Very low26.9Very low155 Ų155153.2 Ų153.283%0.82976%0.761SS**  trans-57.991166.1-73.2-22.8000108.8S794N792-S794 PolarHBondContact O-N 3.29Å
793I26Very low27.6Very low157 Ų157157.6 Ų157.681%0.80576%0.76SS**  trans-83.199.1163.2-66174.5000105.8H791H791-I793 VanDerWaalsContact C-N 3.3Å; H791-I793 PolarHBondContact O-N 2.97Å
794S26.3Very low28.3Very low89 Ų89158.7 Ų158.762%0.62277%0.767SS**  trans-52.3139-178.765.30000112.8N792 K796N792-S794 PolarHBondContact O-N 3.29Å; S794-K796 PolarHBondContact O-N 2.82Å
795E28Very low28.9Very low180 Ų180157.4 Ų157.484%0.84176%0.761SS**SBendtrans-63.926.5-178.4-65.1176.4129.400116.3
796K31.6Very low29.8Very low174 Ų174160 Ų16076%0.75776%0.762SS**  trans-92.6-1.1-172.5-89.3-176.8176.1177.90116.8S794S794-K796 PolarHBondContact O-N 2.82Å
797N30.2Very low30.8Very low144 Ų144163.4 Ų163.477%0.7777%0.765SS**SBendtrans-110.8-4.7-178.5-78.6-19.6000116.3T799N797-T799 VanDerWaalsContact C-N 3.35Å; N797-T799 PolarHBondContact O-N 3.01Å
798T31Very low31.5Very low108 Ų108164.5 Ų164.566%0.66376%0.764SS**Hα-helixtrans-78.2-14.7177.412.70000114
799T36.4Very low32.3Very low106 Ų106163.3 Ų163.365%0.6576%0.758SS**Hα-helixtrans-87.5-13.2-178.942.90000114.8N797N797-T799 VanDerWaalsContact C-N 3.35Å; N797-T799 PolarHBondContact O-N 3.01Å
800K35.1Very low33.2Very low177 Ų177160.1 Ų160.177%0.7776%0.757SS**Hα-helixtrans-82.6-29.8177.1-121.7176.5-177.1175.90113.2
801Y31.3Very low34.1Very low209 Ų209160.2 Ų160.282%0.8276%0.757SS**Hα-helixtrans-78.3-28.5-176.8-137.6-94.6000113.3
802M36.7Very low34.7Very low157 Ų157164 Ų16477%0.77378%0.776SS**Hα-helixtrans-74.8-26.3176.8-74.5-88-15500113.5
803K40Very low35.2Very low165 Ų165164.5 Ų164.572%0.71777%0.773SS**Hα-helixtrans-76.1-25.5-178.8-89.9-178.7175.1176.60114
804N38.8Very low35.7Very low126 Ų126164.8 Ų164.867%0.67477%0.771SS**Hα-helixtrans-79.8-16.7-179.8-84.9-3.4000114.5
805K35.6Very low36.3Very low177 Ų177169.1 Ų169.177%0.7778%0.779SS**Hα-helixtrans-79.9-26.7175.1-123.8178.5-177.3177.30113.3
806K40.7Very low36.7Very low173 Ų173168.4 Ų168.475%0.75278%0.776SS**Hα-helixtrans-76.6-24.6177.3-91.5-173.6174.4-178.10114.1
807K41.1Very low37.1Very low171 Ų171168.1 Ų168.174%0.74378%0.777SS**Hα-helixtrans-79.6-19.8177.3-84.9-171.8174.1-176.80114.7
808R38.3Very low37.5Very low215 Ų215169.7 Ų169.781%0.81178%0.777SS**Hα-helixtrans-83.5-22.4177.5-95-177.4168.1169.2-3.2114.3L810R808-L810 VanDerWaalsContact C-N 3.32Å; R808-L810 PolarHBondContact O-N 2.75Å
809K39.2Very low38Very low180 Ų180174.1 Ų174.178%0.78379%0.786SS**THydrogen-bonded Turntrans-86.36.3176.4-86.3-164.8171.5-166.60115.2
810L41.8Very low38.1Very low153 Ų153179.3 Ų179.380%0.80180%0.796SS**THydrogen-bonded Turntrans-117.710.7176-100.7148000112.1R808R808-L810 VanDerWaalsContact C-N 3.32Å; R808-L810 PolarHBondContact O-N 2.75Å
811K38.8Very low38.4Very low201 Ų201179.5 Ų179.587%0.87480%0.798SS**  trans-125.80.1171.6-90.1-166.3172.5-169.90113.8
812E37.8Very low39Very low227 Ų227176.8 Ų176.8100%1.06180%0.796SS**  trans-109.10153.2-73.3176.9171.800105.9

Retrieved 812 of 812 residues in 1822.3 ms (Link to these results)

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