NPL4_ORYSJ Loading...

NPL4-like protein

May be part of a complex that binds ubiquitinated proteins and that is necessary for the export of misfolded proteins from the ER to the cytoplasm, where they are degraded by the proteasome.

AlphaFold DB , UniProt , Accession Q9AS33, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 415 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
1M87.3Confident84.9Confident42 Ų4252.5 Ų52.521%0.20725%0.245CC..  0134.80175.3176.16500108.8L3 V16 P19 L68 L73M1-L3 HydrophobicContact CE-CD1 3.97Å; M1-L3 HydrophobicContact CE-CD2 3.76Å; M1-L3 HydrophobicContact CE-CG 3.95Å; M1-L3 HydrophobicContact CG-CD2 4.07Å; M1-L3 HydrophobicContact CG-CG 4.44Å; M1-L3 HydrophobicContact SD-CD2 3.86Å; M1-V16 HydrophobicContact CB-CB 4.47Å; M1-V16 HydrophobicContact CE-CB 4.38Å; M1-V16 HydrophobicContact CE-CG2 4.33Å; M1-V16 PolarHBondContact N-O 3.02Å; M1-V16 PolarHBondContact O-N 3.31Å; M1-P19 HydrophobicContact CB-CB 3.71Å; M1-P19 HydrophobicContact CB-CG 4.03Å; M1-P19 HydrophobicContact CE-CB 3.85Å; M1-P19 HydrophobicContact SD-CB 4.2Å; M1-L68 HydrophobicContact CE-CD1 4.49Å; M1-L73 HydrophobicContact CE-CB 4.21Å; M1-L73 HydrophobicContact SD-CB 4.07Å
2I87Confident85Confident65 Ų6548.8 Ų48.833%0.33323%0.228SC..EExtended strand (participates in β ladder)trans-99.5125.9173.2-56.5175.6000108.1R13 I14 N75 G76I2-R13 HydrophobicContact CG2-CB 4.03Å; I2-R13 HydrophobicContact CG2-CG 4.45Å; I2-I14 CarbonylContact C-O 3.42Å; I2-I14 WeakPolarHBondContact CA-O 3.32Å; I2-N75 WeakPolarHBondContact CA-OD1 3.08Å; I2-N75 VanDerWaalsContact CB-OD1 3.3Å; I2-N75 WeakPolarHBondContact CB-OD1 3.28Å; I2-N75 PolarHBondContact N-OD1 3.43Å; I2-N75 PolarHBondContact O-OD1 3.38Å; I2-G76 PolarHBondContact O-N 3.08Å
3L90.9Very high85Confident0 Ų056.7 Ų56.70%026%0.255CS..EExtended strand (participates in β ladder)trans-105.5146.2173.9-63.1178.8000110.1M1 I5 R13 I14 V16 L27 L73 V79M1-L3 HydrophobicContact CE-CD1 3.97Å; M1-L3 HydrophobicContact CE-CD2 3.76Å; M1-L3 HydrophobicContact CE-CG 3.95Å; M1-L3 HydrophobicContact CG-CD2 4.07Å; M1-L3 HydrophobicContact CG-CG 4.44Å; M1-L3 HydrophobicContact SD-CD2 3.86Å; L3-I5 HydrophobicContact CB-CD1 4.09Å; L3-R13 WeakPolarHBondContact O-CA 3.45Å; L3-I14 PolarHBondContact N-O 3.29Å; L3-I14 PolarHBondContact O-N 3.06Å; L3-V16 HydrophobicContact CD1-CG2 3.86Å; L3-V16 HydrophobicContact CG-CG2 4.19Å; L3-L27 HydrophobicContact CD1-CD1 3.88Å; L3-L27 HydrophobicContact CD1-CD2 3.93Å; L3-L73 HydrophobicContact CD1-CD1 4.07Å; L3-L73 HydrophobicContact CD2-CB 4.13Å; L3-L73 HydrophobicContact CD2-CD1 4.24Å; L3-L73 HydrophobicContact CD2-CD2 4.41Å; L3-V79 HydrophobicContact CD1-CG2 4.23Å
4R88.6Confident85.4Confident94 Ų9453.1 Ų53.136%0.35524%0.239SC..EExtended strand (participates in β ladder)trans-97.8108.2173.8-65.2-179.2-176.6-175.90.5108.7R6 T11 D12 G76 S77 F78 V79R4-R6 PolarHBondContact O-N 2.96Å; R4-T11 HydrophobicContact CB-CG2 3.86Å; R4-D12 CarbonylContact C-O 3.52Å; R4-D12 WeakPolarHBondContact CA-O 3.42Å; R4-G76 WeakPolarHBondContact CD-O 3.23Å; R4-S77 PolarHBondContact N-O 2.64Å; R4-F78 HydrophobicContact CB-CD1 3.58Å; R4-F78 HydrophobicContact CB-CE1 3.67Å; R4-F78 HydrophobicContact CB-CG 4.17Å; R4-F78 HydrophobicContact CB-CZ 4.31Å; R4-F78 HydrophobicContact CG-CE1 4.38Å; R4-F78 CarbonylContact O-C 3.39Å; R4-F78 VanDerWaalsContact O-CA 3.3Å; R4-F78 WeakPolarHBondContact O-CA 3.33Å; R4-V79 PolarHBondContact O-N 3.32Å
5I92.4Very high85.7Confident1 Ų155.3 Ų55.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-90.8103.8-179.7-49.1-53.6000108.3L3 T11 D12 I14 L27 I31 V79 L81L3-I5 HydrophobicContact CB-CD1 4.09Å; I5-T11 CarbonylContact O-C 3.57Å; I5-T11 WeakPolarHBondContact O-CA 3.42Å; I5-D12 HydrophobicContact CB-CB 4.33Å; I5-D12 PolarHBondContact N-O 3.11Å; I5-D12 PolarHBondContact O-N 3.44Å; I5-I14 HydrophobicContact CD1-CD1 4.4Å; I5-I14 HydrophobicContact CG1-CB 4.18Å; I5-I14 HydrophobicContact CG1-CD1 3.58Å; I5-I14 HydrophobicContact CG1-CG1 3.73Å; I5-L27 HydrophobicContact CD1-CD1 4.28Å; I5-I31 HydrophobicContact CD1-CD1 4.22Å; I5-I31 HydrophobicContact CD1-CG1 4.45Å; I5-I31 HydrophobicContact CG1-CD1 4.41Å; I5-I31 HydrophobicContact CG1-CG1 4.24Å; I5-I31 HydrophobicContact CG2-CD1 4.12Å; I5-I31 HydrophobicContact CG2-CG1 4.37Å; I5-V79 CarbonylContact C-O 3.53Å; I5-V79 VanDerWaalsContact CA-O 3.27Å; I5-V79 WeakPolarHBondContact CA-O 3.42Å; I5-V79 HydrophobicContact CD1-CB 3.85Å; I5-V79 HydrophobicContact CD1-CG1 4.49Å; I5-V79 HydrophobicContact CD1-CG2 4.38Å; I5-L81 HydrophobicContact CG2-CB 3.65Å; I5-L81 HydrophobicContact CG2-CD2 3.81Å; I5-L81 HydrophobicContact CG2-CG 4.37Å
6R86.8Confident86Confident71 Ų7151.9 Ų51.927%0.26824%0.242SC..EExtended strand (participates in β ladder)trans-94.7124.2-178.5-175.271.9174.8-172.5-2.7109.9R4 T11 L51 F78 V79 Y80 L81R4-R6 PolarHBondContact O-N 2.96Å; R6-T11 WeakPolarHBondContact CD-OG1 3.39Å; R6-T11 PolarHBondContact NH1-OG1 2.79Å; R6-L51 HydrophobicContact CG-CD1 3.84Å; R6-F78 HydrophobicContact CB-CD1 4.07Å; R6-F78 HydrophobicContact CB-CE1 4.48Å; R6-V79 PolarHBondContact N-O 2.88Å; R6-Y80 HydrophobicContact CB-CD1 3.78Å; R6-Y80 HydrophobicContact CB-CE1 3.96Å; R6-Y80 HydrophobicContact CG-CD1 4Å; R6-Y80 HydrophobicContact CG-CE1 4Å; R6-Y80 CarbonylContact O-C 3.57Å; R6-Y80 VanDerWaalsContact O-CA 3.3Å; R6-Y80 WeakPolarHBondContact O-CA 3.43Å; R6-L81 PolarHBondContact O-N 3.33Å
7S86.6Confident85.8Confident3 Ų355.5 Ų55.52%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-121.1-179.1172.171.10000110.5D9 G10 L81 Y83S7-D9 PolarHBondContact O-N 3.14Å; S7-D9 PolarHBondContact OG-N 3.06Å; S7-G10 PolarHBondContact N-O 3.32Å; S7-G10 PolarHBondContact O-N 3.46Å; S7-G10 PolarHBondContact OG-O 2.91Å; S7-L81 WeakPolarHBondContact CA-O 3.36Å; S7-L81 VanDerWaalsContact CB-O 3.32Å; S7-L81 WeakPolarHBondContact CB-O 3.32Å; S7-Y83 PolarHBondContact OG-OH 2.81Å
8R78.9Confident85.8Confident157 Ų15757.2 Ų57.259%0.59228%0.282SS*.THydrogen-bonded Turntrans-63.6-26172.1-71-174.3175.5169.92.8112.6L51 L52R8-L51 HydrophobicContact CG-CD2 4.4Å; R8-L51 PolarHBondContact NE-O 3.07Å; R8-L51 PolarHBondContact NH2-O 3.45Å; R8-L52 PolarHBondContact NH2-O 3.33Å
9D78.2Confident85.5Confident83 Ų8356.8 Ų56.844%0.44428%0.284SS..THydrogen-bonded Turntrans-92.1-6.7-174.8-58.9-5.6000113.1S7 Y83 R88S7-D9 PolarHBondContact O-N 3.14Å; S7-D9 PolarHBondContact OG-N 3.06Å; D9-Y83 PolarHBondContact OD2-OH 3.23Å; D9-R88 IonicContact OD2-CZ 3.92Å; D9-R88 IonicContact OD2-NH1 3.33Å; D9-R88 PolarHBondContact OD2-NH1 3.26Å
10G76.2Confident85.4Confident22 Ų2257.6 Ų57.623%0.22730%0.3CS..EExtended strand (participates in β ladder)trans143.5-167-178.900000114.6S7S7-G10 PolarHBondContact N-O 3.32Å; S7-G10 PolarHBondContact O-N 3.46Å; S7-G10 PolarHBondContact OG-O 2.91Å
11T81.7Confident85.6Confident39 Ų3958 Ų5824%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-118.3121.1178.6-44.80000111.5R4 I5 R6 F78R4-T11 HydrophobicContact CB-CG2 3.86Å; I5-T11 CarbonylContact O-C 3.57Å; I5-T11 WeakPolarHBondContact O-CA 3.42Å; R6-T11 WeakPolarHBondContact CD-OG1 3.39Å; R6-T11 PolarHBondContact NH1-OG1 2.79Å; T11-F78 HydrophobicContact CG2-CE1 4.03Å
12D85.3Confident85.9Confident9 Ų956.5 Ų56.55%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-97.7151.5171.4-77.5-77.1000112R4 I5 V35 R88R4-D12 CarbonylContact C-O 3.52Å; R4-D12 WeakPolarHBondContact CA-O 3.42Å; I5-D12 HydrophobicContact CB-CB 4.33Å; I5-D12 PolarHBondContact N-O 3.11Å; I5-D12 PolarHBondContact O-N 3.44Å; D12-V35 HydrophobicContact CB-CG2 3.94Å; D12-R88 IonicContact OD2-NH2 2.87Å; D12-R88 PolarHBondContact OD2-NH2 3.3Å
13R85.4Confident86.3Confident151 Ų15154.9 Ų54.957%0.5730%0.299SS*.EExtended strand (participates in β ladder)trans-105.7123.3171.4-67.1-178.2-176.1178.12.1110.1I2 L3I2-R13 HydrophobicContact CG2-CB 4.03Å; I2-R13 HydrophobicContact CG2-CG 4.45Å; L3-R13 WeakPolarHBondContact O-CA 3.45Å
14I90Very high86.5Confident6 Ų655 Ų553%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-118121.2178.2-63.9-169000110.3I2 L3 I5 L27 L30 I31 R34 V35I2-I14 CarbonylContact C-O 3.42Å; I2-I14 WeakPolarHBondContact CA-O 3.32Å; L3-I14 PolarHBondContact N-O 3.29Å; L3-I14 PolarHBondContact O-N 3.06Å; I5-I14 HydrophobicContact CD1-CD1 4.4Å; I5-I14 HydrophobicContact CG1-CB 4.18Å; I5-I14 HydrophobicContact CG1-CD1 3.58Å; I5-I14 HydrophobicContact CG1-CG1 3.73Å; I14-L27 HydrophobicContact CG2-CD1 4.29Å; I14-L30 HydrophobicContact CG2-CB 3.67Å; I14-L30 HydrophobicContact CG2-CD1 4.03Å; I14-L30 HydrophobicContact CG2-CG 4.41Å; I14-I31 HydrophobicContact CD1-CB 4.03Å; I14-I31 HydrophobicContact CD1-CG1 3.31Å; I14-R34 HydrophobicContact CD1-CB 4.33Å; I14-R34 HydrophobicContact CG1-CB 4.42Å; I14-R34 HydrophobicContact CG1-CG 4.36Å; I14-V35 HydrophobicContact CD1-CG2 4.28Å
15T90.2Very high86.9Confident87 Ų8750.6 Ų50.653%0.53428%0.284SS..EExtended strand (participates in β ladder)trans-83.1114.9172.2-56.50000109.8P17T15-P17 WeakPolarHBondContact O-CD 3.34Å
16V91Very high87.1Confident1 Ų153.1 Ų53.11%0.00630%0.297CS..  trans-87.9111.1168.3-175.80000108.3M1 L3 A22 L27 L30 L68M1-V16 HydrophobicContact CB-CB 4.47Å; M1-V16 HydrophobicContact CE-CB 4.38Å; M1-V16 HydrophobicContact CE-CG2 4.33Å; M1-V16 PolarHBondContact N-O 3.02Å; M1-V16 PolarHBondContact O-N 3.31Å; L3-V16 HydrophobicContact CD1-CG2 3.86Å; L3-V16 HydrophobicContact CG-CG2 4.19Å; V16-A22 HydrophobicContact CG1-CB 3.57Å; V16-L27 HydrophobicContact CG2-CD1 4.3Å; V16-L30 HydrophobicContact CG2-CD1 4.25Å; V16-L68 HydrophobicContact CG1-CD1 4.09Å; V16-L68 HydrophobicContact CG2-CD1 4.37Å
17P81.8Confident87.5Confident112 Ų11249.8 Ų49.873%0.72729%0.285SS*.SBendtrans-65.3-43.9-173.1-21.833.4000113.7T15T15-P17 WeakPolarHBondContact O-CD 3.34Å
18D85.9Confident88Confident87 Ų8750.5 Ų50.547%0.46529%0.288SS..  trans-123.187.5178.7-174.9-6.6000110.2A20 A21 A22D18-A20 PolarHBondContact O-N 2.92Å; D18-A20 PolarHBondContact OD1-N 3.48Å; D18-A21 PolarHBondContact O-N 3.37Å; D18-A21 PolarHBondContact OD1-N 3.06Å; D18-A21 VanDerWaalsContact OD2-CB 3.28Å; D18-A21 WeakPolarHBondContact OD2-CB 3.33Å; D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 3.24Å
19P80.8Confident88.8Confident49 Ų4949.8 Ų49.832%0.31829%0.285SS..THydrogen-bonded Turntrans-68.2-19.1-176.228.9-35.4000113.9M1M1-P19 HydrophobicContact CB-CB 3.71Å; M1-P19 HydrophobicContact CB-CG 4.03Å; M1-P19 HydrophobicContact CE-CB 3.85Å; M1-P19 HydrophobicContact SD-CB 4.2Å
20A84Confident89.5Confident73 Ų7348.3 Ų48.360%0.60328%0.277SS*.THydrogen-bonded Turntrans-79-36.9-179.300000111.7D18D18-A20 PolarHBondContact O-N 2.92Å; D18-A20 PolarHBondContact OD1-N 3.48Å
21A88.7Confident90.3Very high67 Ų6747.3 Ų47.355%0.55427%0.266SS*.THydrogen-bonded Turntrans-96.9-18.2179.400000114.2D18D18-A21 PolarHBondContact O-N 3.37Å; D18-A21 PolarHBondContact OD1-N 3.06Å; D18-A21 VanDerWaalsContact OD2-CB 3.28Å; D18-A21 WeakPolarHBondContact OD2-CB 3.33Å
22A93.4Very high90.9Very high9 Ų946.8 Ų46.87%0.07427%0.266CS..  trans-66142.4-176.600000113V16 D18 D26 L68V16-A22 HydrophobicContact CG1-CB 3.57Å; D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 3.24Å; A22-D26 HydrophobicContact CB-CB 4.36Å; A22-L68 HydrophobicContact CB-CD1 3.73Å; A22-L68 HydrophobicContact CB-CG 4.3Å; A22-L68 WeakPolarHBondContact O-CB 3.32Å; A22-L68 WeakPolarHBondContact O-CG 3.47Å; A22-L68 PolarHBondContact O-N 3.49Å
23T95.8Very high91Very high32 Ų3249.1 Ų49.120%0.19629%0.286CS..BIsolated β-bridgetrans-104.9168.517762.50000112.1G25 D26 L27 P64 A66T23-G25 PolarHBondContact O-N 3Å; T23-G25 PolarHBondContact OG1-N 2.93Å; T23-D26 PolarHBondContact N-OD2 3.35Å; T23-D26 WeakPolarHBondContact O-CB 3.5Å; T23-D26 PolarHBondContact O-N 3.16Å; T23-D26 VanDerWaalsContact O-N 3.14Å; T23-D26 PolarHBondContact OG1-N 3.33Å; T23-D26 VanDerWaalsContact OG1-N 3.14Å; T23-D26 PolarHBondContact OG1-OD2 3.35Å; T23-L27 PolarHBondContact O-N 2.88Å; T23-L27 VanDerWaalsContact O-N 3.07Å; T23-P64 VanDerWaalsContact CB-O 3.31Å; T23-P64 WeakPolarHBondContact CB-O 3.45Å; T23-P64 PolarHBondContact OG1-O 3.44Å; T23-A66 CarbonylContact C-O 3.58Å; T23-A66 VanDerWaalsContact CA-O 3.31Å; T23-A66 WeakPolarHBondContact CA-O 3.31Å
24V95.9Very high91Very high1 Ų147.4 Ų47.41%0.00628%0.28CS..Hα-helixtrans-56.1-38.7168.9173.40000110.7D26 L27 Q28 L61 D63 A66 L68 L71V24-D26 VanDerWaalsContact C-N 3.35Å; V24-D26 PolarHBondContact O-N 2.97Å; V24-L27 WeakPolarHBondContact O-CB 3.42Å; V24-L27 PolarHBondContact O-N 3.29Å; V24-Q28 HydrophobicContact CG1-CG 4.45Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 2.99Å; V24-L61 HydrophobicContact CG1-CB 3.92Å; V24-L61 HydrophobicContact CG2-CB 4.3Å; V24-L61 HydrophobicContact CG2-CD1 4.48Å; V24-D63 WeakPolarHBondContact CB-O 3.2Å; V24-A66 HydrophobicContact CG2-CB 4.06Å; V24-A66 PolarHBondContact N-O 3.13Å; V24-L68 HydrophobicContact CG2-CD2 4.11Å; V24-L71 HydrophobicContact CG2-CD1 3.93Å
25G95.9Very high90.7Very high3 Ų347.1 Ų47.13%0.03128%0.279CS..Hα-helixtrans-64.8-34.6176.200000113.6T23 R29 P64T23-G25 PolarHBondContact O-N 3Å; T23-G25 PolarHBondContact OG1-N 2.93Å; G25-R29 WeakPolarHBondContact O-CG 3.26Å; G25-R29 PolarHBondContact O-N 3.42Å; G25-R29 VanDerWaalsContact O-N 3.1Å; G25-P64 PolarHBondContact N-O 3.17Å
26D95.8Very high90.4Very high53 Ų5344 Ų4428%0.28326%0.259SS..Hα-helixtrans-65.3-44.3171.4-66.7-56.7000111.4A22 T23 V24 Q28 R29 L30A22-D26 HydrophobicContact CB-CB 4.36Å; T23-D26 PolarHBondContact N-OD2 3.35Å; T23-D26 WeakPolarHBondContact O-CB 3.5Å; T23-D26 PolarHBondContact O-N 3.16Å; T23-D26 VanDerWaalsContact O-N 3.14Å; T23-D26 PolarHBondContact OG1-N 3.33Å; T23-D26 VanDerWaalsContact OG1-N 3.14Å; T23-D26 PolarHBondContact OG1-OD2 3.35Å; V24-D26 VanDerWaalsContact C-N 3.35Å; V24-D26 PolarHBondContact O-N 2.97Å; D26-Q28 VanDerWaalsContact C-N 3.34Å; D26-Q28 PolarHBondContact O-N 3.38Å; D26-R29 PolarHBondContact O-N 2.92Å; D26-R29 IonicContact OD1-CZ 3.58Å; D26-R29 IonicContact OD1-NE 3.14Å; D26-R29 IonicContact OD1-NH2 2.63Å; D26-R29 PolarHBondContact OD1-NH2 2.99Å; D26-L30 WeakPolarHBondContact O-CG 3.45Å; D26-L30 PolarHBondContact O-N 3.09Å
27L95.5Very high90.4Very high1 Ų144 Ų441%0.00526%0.259CS..Hα-helixtrans-60.4-44.7176-179.558.3000111.4L3 I5 I14 V16 T23 V24 R29 L30 I31 L44 L68 V79L3-L27 HydrophobicContact CD1-CD1 3.88Å; L3-L27 HydrophobicContact CD1-CD2 3.93Å; I5-L27 HydrophobicContact CD1-CD1 4.28Å; I14-L27 HydrophobicContact CG2-CD1 4.29Å; V16-L27 HydrophobicContact CG2-CD1 4.3Å; T23-L27 PolarHBondContact O-N 2.88Å; T23-L27 VanDerWaalsContact O-N 3.07Å; V24-L27 WeakPolarHBondContact O-CB 3.42Å; V24-L27 PolarHBondContact O-N 3.29Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 2.89Å; L27-L30 WeakPolarHBondContact O-CB 3.16Å; L27-L30 PolarHBondContact O-N 3.24Å; L27-L30 VanDerWaalsContact O-N 3.15Å; L27-I31 HydrophobicContact CD1-CD1 4.35Å; L27-I31 HydrophobicContact CD1-CG1 4.4Å; L27-I31 HydrophobicContact CG-CD1 4.05Å; L27-I31 WeakPolarHBondContact O-CG1 3.42Å; L27-I31 PolarHBondContact O-N 3.32Å; L27-L44 HydrophobicContact CD2-CD1 4.46Å; L27-L68 HydrophobicContact CB-CD1 4.25Å; L27-L68 HydrophobicContact CB-CD2 4.26Å; L27-L68 HydrophobicContact CD2-CD2 4.09Å; L27-V79 HydrophobicContact CD2-CG1 4.39Å; L27-V79 HydrophobicContact CD2-CG2 4.34Å
28Q96.8Very high90.9Very high19 Ų1941.3 Ų41.39%0.08924%0.242CC..Hα-helixtrans-59.5-41.1176.6-73.4173.5-30.600112.2V24 D26 I31 A32 V39 Q42 L44V24-Q28 HydrophobicContact CG1-CG 4.45Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 2.99Å; D26-Q28 VanDerWaalsContact C-N 3.34Å; D26-Q28 PolarHBondContact O-N 3.38Å; Q28-I31 PolarHBondContact O-N 3.06Å; Q28-A32 WeakPolarHBondContact O-CB 3.45Å; Q28-A32 PolarHBondContact O-N 2.9Å; Q28-V39 HydrophobicContact CB-CG1 3.96Å; Q28-V39 HydrophobicContact CB-CG2 4.2Å; Q28-Q42 PolarHBondContact O-NE2 2.99Å; Q28-Q42 PolarHBondContact O-OE1 3.16Å; Q28-L44 HydrophobicContact CG-CD1 3.59Å
29R95.6Very high91.2Very high141 Ų14139.5 Ų39.553%0.53223%0.234SC..Hα-helixtrans-64.2-40.4174.5-76.6-173.5-71.7-88.97.1112.4G25 D26 L27 A32 A33G25-R29 WeakPolarHBondContact O-CG 3.26Å; G25-R29 PolarHBondContact O-N 3.42Å; G25-R29 VanDerWaalsContact O-N 3.1Å; D26-R29 PolarHBondContact O-N 2.92Å; D26-R29 IonicContact OD1-CZ 3.58Å; D26-R29 IonicContact OD1-NE 3.14Å; D26-R29 IonicContact OD1-NH2 2.63Å; D26-R29 PolarHBondContact OD1-NH2 2.99Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 2.89Å; R29-A32 PolarHBondContact O-N 3.06Å; R29-A33 WeakPolarHBondContact O-CB 3.37Å; R29-A33 PolarHBondContact O-N 2.93Å
30L94.6Very high91.8Very high53 Ų5343.1 Ų43.128%0.27726%0.257SS..Hα-helixtrans-64.8-40.5175.1-68.9171.4000111.7I14 V16 D26 L27 A33 R34I14-L30 HydrophobicContact CG2-CB 3.67Å; I14-L30 HydrophobicContact CG2-CD1 4.03Å; I14-L30 HydrophobicContact CG2-CG 4.41Å; V16-L30 HydrophobicContact CG2-CD1 4.25Å; D26-L30 WeakPolarHBondContact O-CG 3.45Å; D26-L30 PolarHBondContact O-N 3.09Å; L27-L30 WeakPolarHBondContact O-CB 3.16Å; L27-L30 PolarHBondContact O-N 3.24Å; L27-L30 VanDerWaalsContact O-N 3.15Å; L30-A33 PolarHBondContact O-N 2.88Å; L30-R34 WeakPolarHBondContact O-CB 3.46Å; L30-R34 PolarHBondContact O-N 2.99Å
31I93.1Very high92.2Very high0 Ų043 Ų430%025%0.247CC..Hα-helixtrans-61.5-46.7173.5-69.3170.1000110.3I5 I14 L27 Q28 A33 R34 V35 Q42 L44 L81I5-I31 HydrophobicContact CD1-CD1 4.22Å; I5-I31 HydrophobicContact CD1-CG1 4.45Å; I5-I31 HydrophobicContact CG1-CD1 4.41Å; I5-I31 HydrophobicContact CG1-CG1 4.24Å; I5-I31 HydrophobicContact CG2-CD1 4.12Å; I5-I31 HydrophobicContact CG2-CG1 4.37Å; I14-I31 HydrophobicContact CD1-CB 4.03Å; I14-I31 HydrophobicContact CD1-CG1 3.31Å; L27-I31 HydrophobicContact CD1-CD1 4.35Å; L27-I31 HydrophobicContact CD1-CG1 4.4Å; L27-I31 HydrophobicContact CG-CD1 4.05Å; L27-I31 WeakPolarHBondContact O-CG1 3.42Å; L27-I31 PolarHBondContact O-N 3.32Å; Q28-I31 PolarHBondContact O-N 3.06Å; I31-A33 VanDerWaalsContact C-N 3.28Å; I31-A33 PolarHBondContact O-N 2.93Å; I31-R34 PolarHBondContact O-N 2.81Å; I31-V35 HydrophobicContact CG2-CB 4.06Å; I31-V35 HydrophobicContact CG2-CG2 4.06Å; I31-V35 WeakPolarHBondContact O-CA 3.47Å; I31-V35 WeakPolarHBondContact O-CB 3.25Å; I31-V35 PolarHBondContact O-N 2.76Å; I31-Q42 HydrophobicContact CG2-CG 4.33Å; I31-L44 HydrophobicContact CD1-CD1 3.88Å; I31-L44 HydrophobicContact CD1-CD2 3.56Å; I31-L44 HydrophobicContact CD1-CG 4.36Å; I31-L81 HydrophobicContact CG2-CD2 3.62Å
32A92.4Very high92.5Very high28 Ų2840.5 Ų40.523%0.23122%0.223CC..Hα-helixtrans-60.7-39.5178.600000112Q28 R29 T36 V37 V39Q28-A32 WeakPolarHBondContact O-CB 3.45Å; Q28-A32 PolarHBondContact O-N 2.9Å; R29-A32 PolarHBondContact O-N 3.06Å; A32-T36 VanDerWaalsContact O-CA 3.28Å; A32-T36 WeakPolarHBondContact O-CA 3.45Å; A32-T36 PolarHBondContact O-N 3.27Å; A32-V37 VanDerWaalsContact CA-O 3.24Å; A32-V37 WeakPolarHBondContact CA-O 3.36Å; A32-V37 WeakPolarHBondContact CB-O 3.22Å; A32-V39 HydrophobicContact CB-CG2 3.86Å
33A88.3Confident92.6Very high58 Ų5845.9 Ų45.948%0.47924%0.241SC..Hα-helixtrans-71-33.2178.200000113.5R29 L30 I31 P93R29-A33 WeakPolarHBondContact O-CB 3.37Å; R29-A33 PolarHBondContact O-N 2.93Å; L30-A33 PolarHBondContact O-N 2.88Å; I31-A33 VanDerWaalsContact C-N 3.28Å; I31-A33 PolarHBondContact O-N 2.93Å; A33-P93 WeakPolarHBondContact O-CD 3.29Å; A33-P93 WeakPolarHBondContact O-CG 3.41Å
34R84.6Confident92.5Very high115 Ų11544.4 Ų44.443%0.43423%0.233SC..Hα-helixtrans-96.5-46.4-173.5-176.561.2173.8122.5-3113.8I14 L30 I31I14-R34 HydrophobicContact CD1-CB 4.33Å; I14-R34 HydrophobicContact CG1-CB 4.42Å; I14-R34 HydrophobicContact CG1-CG 4.36Å; L30-R34 WeakPolarHBondContact O-CB 3.46Å; L30-R34 PolarHBondContact O-N 2.99Å; I31-R34 PolarHBondContact O-N 2.81Å
35V84Confident92.4Very high1 Ų144.4 Ų44.41%0.00623%0.233CC..Hα-helixtrans-96.6-7-173.4-166.90000110.9D12 I14 I31 V37 L81 R88D12-V35 HydrophobicContact CB-CG2 3.94Å; I14-V35 HydrophobicContact CD1-CG2 4.28Å; I31-V35 HydrophobicContact CG2-CB 4.06Å; I31-V35 HydrophobicContact CG2-CG2 4.06Å; I31-V35 WeakPolarHBondContact O-CA 3.47Å; I31-V35 WeakPolarHBondContact O-CB 3.25Å; I31-V35 PolarHBondContact O-N 2.76Å; V35-V37 HydrophobicContact CB-CG2 4.49Å; V35-V37 HydrophobicContact CG1-CG2 4Å; V35-V37 PolarHBondContact O-N 3.16Å; V35-L81 HydrophobicContact CG1-CD2 4.19Å; V35-R88 VanDerWaalsContact CG1-NH2 3.33Å; V35-R88 PolarHBondContact O-NE 3.37Å
36T85.4Confident92.3Very high20 Ų2047.5 Ų47.512%0.12325%0.248CC..  trans62.917.3177.669.80000115.5A32 P38 S89 P92A32-T36 VanDerWaalsContact O-CA 3.28Å; A32-T36 WeakPolarHBondContact O-CA 3.45Å; A32-T36 PolarHBondContact O-N 3.27Å; T36-P38 WeakPolarHBondContact O-CD 3.37Å; T36-S89 WeakPolarHBondContact CB-O 3.26Å; T36-S89 PolarHBondContact O-N 3.33Å; T36-S89 PolarHBondContact OG1-O 3.4Å; T36-S89 VanDerWaalsContact OG1-O 3.08Å; T36-P92 HydrophobicContact CG2-CB 4.22Å; T36-P92 HydrophobicContact CG2-CG 4.5Å
37V89.6Confident92Very high1 Ų147.9 Ų47.91%0.00625%0.25CC..  trans-89.3118.2174.8-178.40000109.2A32 V35 V39 L41 Q42 Y83 A87 R88A32-V37 VanDerWaalsContact CA-O 3.24Å; A32-V37 WeakPolarHBondContact CA-O 3.36Å; A32-V37 WeakPolarHBondContact CB-O 3.22Å; V35-V37 HydrophobicContact CB-CG2 4.49Å; V35-V37 HydrophobicContact CG1-CG2 4Å; V35-V37 PolarHBondContact O-N 3.16Å; V37-V39 PolarHBondContact O-N 3.25Å; V37-L41 HydrophobicContact CG1-CB 4.42Å; V37-Q42 HydrophobicContact CB-CG 4.19Å; V37-Q42 HydrophobicContact CG1-CG 3.64Å; V37-Q42 PolarHBondContact O-NE2 3.24Å; V37-Y83 HydrophobicContact CG1-CD1 4.03Å; V37-Y83 HydrophobicContact CG1-CD2 4.45Å; V37-Y83 HydrophobicContact CG1-CG 3.81Å; V37-Y83 HydrophobicContact CG2-CD1 3.75Å; V37-Y83 HydrophobicContact CG2-CD2 4.05Å; V37-Y83 HydrophobicContact CG2-CE1 3.77Å; V37-Y83 HydrophobicContact CG2-CE2 4.06Å; V37-Y83 HydrophobicContact CG2-CG 3.9Å; V37-A87 HydrophobicContact CG1-CB 4.5Å; V37-R88 HydrophobicContact CG2-CG 3.82Å
38P91.8Very high91.5Very high56 Ų5651.2 Ų51.236%0.36427%0.272SS..  trans-56.6136177.6-25.734.3000112.2T36 P40 L41 Q42 A87T36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-P40 VanDerWaalsContact C-N 3.31Å; P38-P40 VanDerWaalsContact O-N 3.15Å; P38-L41 HydrophobicContact CB-CD1 4.33Å; P38-L41 HydrophobicContact CB-CG 4.42Å; P38-L41 HydrophobicContact CG-CD1 4.16Å; P38-L41 PolarHBondContact O-N 2.93Å; P38-Q42 PolarHBondContact O-N 2.77Å; P38-A87 WeakPolarHBondContact CD-O 3.39Å
39V93.8Very high91Very high50 Ų5051.3 Ų51.330%0.30328%0.276SS..G310 helixtrans-46.6-44.7-179174.90000113.8Q28 A32 V37 L41 Q42Q28-V39 HydrophobicContact CB-CG1 3.96Å; Q28-V39 HydrophobicContact CB-CG2 4.2Å; A32-V39 HydrophobicContact CB-CG2 3.86Å; V37-V39 PolarHBondContact O-N 3.25Å; V39-L41 PolarHBondContact O-N 3.32Å; V39-L41 VanDerWaalsContact O-N 3.13Å; V39-Q42 PolarHBondContact O-N 3.21Å; V39-Q42 VanDerWaalsContact O-N 3.14Å
40P92.8Very high90.7Very high124 Ų12444.6 Ų44.681%0.80525%0.25SS*.G310 helixtrans-64.2-18.6-179.6-22.134.7000114.8P38P38-P40 VanDerWaalsContact C-N 3.31Å; P38-P40 VanDerWaalsContact O-N 3.15Å
41L93.5Very high90.2Very high72 Ų7243.5 Ų43.538%0.37725%0.245SC..G310 helixtrans-98.1-5.7-178.9-59-179.1000112.6V37 P38 V39 Y83 P84 A87V37-L41 HydrophobicContact CG1-CB 4.42Å; P38-L41 HydrophobicContact CB-CD1 4.33Å; P38-L41 HydrophobicContact CB-CG 4.42Å; P38-L41 HydrophobicContact CG-CD1 4.16Å; P38-L41 PolarHBondContact O-N 2.93Å; V39-L41 PolarHBondContact O-N 3.32Å; V39-L41 VanDerWaalsContact O-N 3.13Å; L41-Y83 WeakPolarHBondContact O-CB 3.3Å; L41-P84 HydrophobicContact CD2-CG 4.47Å; L41-A87 HydrophobicContact CB-CB 4.21Å; L41-A87 HydrophobicContact CD1-CB 3.57Å
42Q94.6Very high89.5Confident14 Ų1447.5 Ų47.57%0.06527%0.266CS..  trans-81.2123.4179.9-62.6176.621.900110.8Q28 I31 V37 P38 V39 L81Q28-Q42 PolarHBondContact O-NE2 2.99Å; Q28-Q42 PolarHBondContact O-OE1 3.16Å; I31-Q42 HydrophobicContact CG2-CG 4.33Å; V37-Q42 HydrophobicContact CB-CG 4.19Å; V37-Q42 HydrophobicContact CG1-CG 3.64Å; V37-Q42 PolarHBondContact O-NE2 3.24Å; P38-Q42 PolarHBondContact O-N 2.77Å; V39-Q42 PolarHBondContact O-N 3.21Å; V39-Q42 VanDerWaalsContact O-N 3.14Å; Q42-L81 HydrophobicContact CB-CD1 3.85Å; Q42-L81 HydrophobicContact CG-CD1 3.96Å
43R93.8Very high88.4Confident121 Ų12152.1 Ų52.146%0.45729%0.293SS..EExtended strand (participates in β ladder)trans-107.5117.9162.9-61.1178.171155.7-1.1107.4L50 L60 L81 S82R43-L50 HydrophobicContact CB-CD1 4.34Å; R43-L50 WeakPolarHBondContact O-CD2 3.41Å; R43-L60 HydrophobicContact CB-CD2 4.17Å; R43-L81 WeakPolarHBondContact O-CA 3.45Å; R43-S82 WeakPolarHBondContact CB-O 3.42Å; R43-S82 PolarHBondContact N-O 2.78Å; R43-S82 PolarHBondContact O-N 3.18Å
44L95.1Very high87.4Confident2 Ų253.8 Ų53.81%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-109.8141.9-179.9-61.1-179.5000110.6L27 Q28 I31 L60 L61 V79 Y80 L81L27-L44 HydrophobicContact CD2-CD1 4.46Å; Q28-L44 HydrophobicContact CG-CD1 3.59Å; I31-L44 HydrophobicContact CD1-CD1 3.88Å; I31-L44 HydrophobicContact CD1-CD2 3.56Å; I31-L44 HydrophobicContact CD1-CG 4.36Å; L44-L60 CarbonylContact O-C 3.51Å; L44-L60 VanDerWaalsContact O-CA 3.32Å; L44-L60 WeakPolarHBondContact O-CA 3.42Å; L44-L61 HydrophobicContact CB-CB 4.15Å; L44-L61 HydrophobicContact CB-CD1 4.09Å; L44-L61 HydrophobicContact CB-CG 4.4Å; L44-L61 PolarHBondContact O-N 3.19Å; L44-V79 HydrophobicContact CB-CG1 4.36Å; L44-V79 HydrophobicContact CD2-CG1 4.26Å; L44-Y80 CarbonylContact C-O 3.43Å; L44-Y80 VanDerWaalsContact CA-O 3.32Å; L44-Y80 WeakPolarHBondContact CA-O 3.42Å; L44-L81 HydrophobicContact CD2-CB 3.88Å; L44-L81 HydrophobicContact CD2-CD1 3.58Å; L44-L81 HydrophobicContact CD2-CG 4.26Å
45S94.1Very high86.3Confident1 Ų149.7 Ų49.71%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-148.8158.9172-171.10000110.6D47 A59 Y80S45-D47 VanDerWaalsContact C-N 3.32Å; S45-D47 WeakPolarHBondContact OG-CB 3.37Å; S45-D47 PolarHBondContact OG-N 2.89Å; S45-A59 WeakPolarHBondContact CB-O 3.29Å; S45-A59 PolarHBondContact OG-O 3.22Å; S45-Y80 PolarHBondContact N-O 3.44Å; S45-Y80 PolarHBondContact O-N 3.38Å
46L92.9Very high85.2Confident67 Ų6754.7 Ų54.735%0.35133%0.332SS..SBendtrans-88.1-8.4165.3-54.2-175.5000111.8L61 L71 L73 V79 Y80L46-L61 HydrophobicContact CD2-CD1 4.34Å; L46-L71 HydrophobicContact CD1-CB 4.15Å; L46-L73 HydrophobicContact CD2-CD2 3.78Å; L46-V79 HydrophobicContact CD2-CG2 4.05Å; L46-Y80 WeakPolarHBondContact O-CE2 3.28Å
47D89.2Confident84.4Confident61 Ų6158.6 Ų58.633%0.32636%0.36SS..SBendtrans-90.8122.6-180-174.4-9.9000110.8S45 A49 L50 A58 Y80S45-D47 VanDerWaalsContact C-N 3.32Å; S45-D47 WeakPolarHBondContact OG-CB 3.37Å; S45-D47 PolarHBondContact OG-N 2.89Å; D47-A49 PolarHBondContact O-N 3.46Å; D47-A49 WeakPolarHBondContact OD1-CB 3.31Å; D47-A49 PolarHBondContact OD1-N 2.63Å; D47-L50 WeakPolarHBondContact O-CB 3.42Å; D47-L50 PolarHBondContact O-N 3.2Å; D47-A58 HydrophobicContact CB-CB 4.48Å; D47-Y80 VanDerWaalsContact C-CD2 3.43Å; D47-Y80 WeakPolarHBondContact O-CD2 3.45Å
48P86Confident84Confident71 Ų7159 Ų5946%0.46136%0.364SS..G310 helixtrans-58.2-24174.821.7-31.9000113.8L50 L51 Y80P48-L50 PolarHBondContact O-N 3.19Å; P48-L51 PolarHBondContact O-N 3.39Å; P48-Y80 HydrophobicContact CB-CD1 4.29Å; P48-Y80 HydrophobicContact CB-CD2 4.44Å; P48-Y80 HydrophobicContact CB-CE1 3.74Å; P48-Y80 HydrophobicContact CB-CE2 3.91Å; P48-Y80 HydrophobicContact CG-CE2 4.33Å
49A85Confident83.7Confident21 Ų2160 Ų6017%0.17438%0.376CS..G310 helixtrans-59.6-18.3179.500000113.4D47 L51 L52D47-A49 PolarHBondContact O-N 3.46Å; D47-A49 WeakPolarHBondContact OD1-CB 3.31Å; D47-A49 PolarHBondContact OD1-N 2.63Å; A49-L51 PolarHBondContact O-N 3.17Å; A49-L52 HydrophobicContact CB-CD1 4.12Å; A49-L52 WeakPolarHBondContact O-CB 3.27Å; A49-L52 PolarHBondContact O-N 3.46Å; A49-L52 VanDerWaalsContact O-N 3.09Å
50L89.5Confident83.7Confident0 Ų060.9 Ų60.90%038%0.379CS..G310 helixtrans-55.9-30.7173-179.762.1000113R43 D47 P48 A58 L60 Y80R43-L50 HydrophobicContact CB-CD1 4.34Å; R43-L50 WeakPolarHBondContact O-CD2 3.41Å; D47-L50 WeakPolarHBondContact O-CB 3.42Å; D47-L50 PolarHBondContact O-N 3.2Å; P48-L50 PolarHBondContact O-N 3.19Å; L50-A58 HydrophobicContact CB-CB 3.98Å; L50-A58 HydrophobicContact CD1-CB 4.33Å; L50-L60 HydrophobicContact CD1-CD2 3.65Å; L50-L60 HydrophobicContact CD2-CD2 4.45Å; L50-Y80 VanDerWaalsContact CD2-O 3.3Å; L50-Y80 WeakPolarHBondContact CD2-O 3.32Å
51L83.9Confident83.6Confident30 Ų3056.2 Ų56.216%0.15735%0.347CS..G310 helixtrans-84.4-13.8-178.7-58.2-174.6000113.1R6 R8 P48 A49 Y80 L81R6-L51 HydrophobicContact CG-CD1 3.84Å; R8-L51 HydrophobicContact CG-CD2 4.4Å; R8-L51 PolarHBondContact NE-O 3.07Å; R8-L51 PolarHBondContact NH2-O 3.45Å; P48-L51 PolarHBondContact O-N 3.39Å; A49-L51 PolarHBondContact O-N 3.17Å; L51-Y80 HydrophobicContact CD1-CD1 3.8Å; L51-Y80 HydrophobicContact CG-CD1 4.18Å; L51-L81 WeakPolarHBondContact CD2-O 3.15Å
52L79.5Confident83.3Confident84 Ų8456.8 Ų56.844%0.4436%0.362SS..SBendtrans-71.8154.7179.5-61.3174.6000111.3R8 A49 S54 S55R8-L52 PolarHBondContact NH2-O 3.33Å; A49-L52 HydrophobicContact CB-CD1 4.12Å; A49-L52 WeakPolarHBondContact O-CB 3.27Å; A49-L52 PolarHBondContact O-N 3.46Å; A49-L52 VanDerWaalsContact O-N 3.09Å; L52-S54 PolarHBondContact O-N 3.32Å; L52-S55 WeakPolarHBondContact O-CB 3.38Å; L52-S55 PolarHBondContact O-N 3.08Å
53P69.3Low83.2Confident126 Ų12660.6 Ų60.682%0.81838%0.383SS*.THydrogen-bonded Turntrans-60.3-30.8175.6-23.133.4000113.5S55P53-S55 VanDerWaalsContact C-N 3.32Å; P53-S55 PolarHBondContact O-N 3.43Å
54S66.7Low83.2Confident93 Ų9358 Ų5865%0.6538%0.382SS*.THydrogen-bonded Turntrans-92.536.9-178.466.60000113.4L52 A56L52-S54 PolarHBondContact O-N 3.32Å; S54-A56 PolarHBondContact O-N 2.93Å
55S62.4Low83.1Confident29 Ų2961.2 Ų61.220%0.20341%0.409CS..G310 helixtrans-66.213.9-167.872.40000116.3L52 P53 S57 A58L52-S55 WeakPolarHBondContact O-CB 3.38Å; L52-S55 PolarHBondContact O-N 3.08Å; P53-S55 VanDerWaalsContact C-N 3.32Å; P53-S55 PolarHBondContact O-N 3.43Å; S55-S57 PolarHBondContact O-N 2.89Å; S55-S57 VanDerWaalsContact O-N 3.14Å; S55-A58 PolarHBondContact O-N 3.45Å
56A60.5Low83.1Confident106 Ų10662.1 Ų62.188%0.87642%0.417SS*.G310 helixtrans-64.4-19.2-171.700000113.7S54S54-A56 PolarHBondContact O-N 2.93Å
57S69.2Low83.2Confident101 Ų10161.7 Ų61.771%0.70642%0.418SS*.G310 helixtrans-103.4-6.6-175.162.60000115.7S55 A59S55-S57 PolarHBondContact O-N 2.89Å; S55-S57 VanDerWaalsContact O-N 3.14Å; S57-A59 PolarHBondContact O-N 2.91Å
58A79.7Confident83.3Confident11 Ų1159 Ų599%0.09140%0.403CS..  trans-69.3126.5-174.700000111.1D47 L50 S55 L60D47-A58 HydrophobicContact CB-CB 4.48Å; L50-A58 HydrophobicContact CB-CB 3.98Å; L50-A58 HydrophobicContact CD1-CB 4.33Å; S55-A58 PolarHBondContact O-N 3.45Å; A58-L60 PolarHBondContact O-N 2.96Å; A58-L60 VanDerWaalsContact O-N 3.09Å
59A86.8Confident83.5Confident76 Ų7659.3 Ų59.363%0.62841%0.407SS*.  trans-68.2107.9178.500000110.3S45 S57S45-A59 WeakPolarHBondContact CB-O 3.29Å; S45-A59 PolarHBondContact OG-O 3.22Å; S57-A59 PolarHBondContact O-N 2.91Å
60L92.2Very high83.7Confident69 Ų6961.8 Ų61.836%0.36142%0.423SS..BIsolated β-bridgetrans-80.2144.2-178.2-60.8-179000111.7R43 L44 L50 A58 A62R43-L60 HydrophobicContact CB-CD2 4.17Å; L44-L60 CarbonylContact O-C 3.51Å; L44-L60 VanDerWaalsContact O-CA 3.32Å; L44-L60 WeakPolarHBondContact O-CA 3.42Å; L50-L60 HydrophobicContact CD1-CD2 3.65Å; L50-L60 HydrophobicContact CD2-CD2 4.45Å; A58-L60 PolarHBondContact O-N 2.96Å; A58-L60 VanDerWaalsContact O-N 3.09Å; L60-A62 PolarHBondContact O-N 3.43Å
61L92.6Very high83.7Confident26 Ų2663.2 Ų63.214%0.13643%0.431CS..  trans-75.675.7165.9-57.9179.4000109V24 L44 L46 L71 V79V24-L61 HydrophobicContact CG1-CB 3.92Å; V24-L61 HydrophobicContact CG2-CB 4.3Å; V24-L61 HydrophobicContact CG2-CD1 4.48Å; L44-L61 HydrophobicContact CB-CB 4.15Å; L44-L61 HydrophobicContact CB-CD1 4.09Å; L44-L61 HydrophobicContact CB-CG 4.4Å; L44-L61 PolarHBondContact O-N 3.19Å; L46-L61 HydrophobicContact CD2-CD1 4.34Å; L61-L71 HydrophobicContact CD1-CD1 3.78Å; L61-L71 HydrophobicContact CD2-CD1 3.78Å; L61-L71 HydrophobicContact CD2-CD2 3.61Å; L61-L71 HydrophobicContact CD2-CG 4.37Å; L61-L71 HydrophobicContact CG-CD1 4.42Å; L61-V79 HydrophobicContact CD1-CG1 4.48Å
62A87.1Confident83.9Confident84 Ų8473.1 Ų73.169%0.69447%0.466SS*.  trans-82.2-26.2-170.700000114.3L60 P64L60-A62 PolarHBondContact O-N 3.43Å; A62-P64 VanDerWaalsContact O-CD 3.29Å; A62-P64 WeakPolarHBondContact O-CD 3.33Å
63D92.2Very high84.4Confident93 Ų9370.5 Ų70.550%0.49745%0.453SS..  trans-90.4110.1-179.6178.812.6000111V24 A65 A66V24-D63 WeakPolarHBondContact CB-O 3.2Å; D63-A65 PolarHBondContact O-N 3.36Å; D63-A65 WeakPolarHBondContact OD1-CB 3.15Å; D63-A65 PolarHBondContact OD1-N 3.25Å; D63-A66 HydrophobicContact CB-CB 4.12Å; D63-A66 WeakPolarHBondContact O-CB 3.48Å; D63-A66 PolarHBondContact O-N 2.85Å; D63-A66 PolarHBondContact OD2-N 2.98Å
64P93.4Very high85.3Confident66 Ų6667.9 Ų67.943%0.42944%0.437SS..THydrogen-bonded Turntrans-66.8-21.2177.6-17.532.9000113.2T23 G25 A62 A66T23-P64 VanDerWaalsContact CB-O 3.31Å; T23-P64 WeakPolarHBondContact CB-O 3.45Å; T23-P64 PolarHBondContact OG1-O 3.44Å; G25-P64 PolarHBondContact N-O 3.17Å; A62-P64 VanDerWaalsContact O-CD 3.29Å; A62-P64 WeakPolarHBondContact O-CD 3.33Å; P64-A66 VanDerWaalsContact C-N 3.35Å
65A94Very high86.2Confident71 Ų7169 Ų6959%0.58744%0.436SS*.THydrogen-bonded Turntrans-83.9-10.7178.800000113D63D63-A65 PolarHBondContact O-N 3.36Å; D63-A65 WeakPolarHBondContact OD1-CB 3.15Å; D63-A65 PolarHBondContact OD1-N 3.25Å
66A94Very high87Confident20 Ų2068.8 Ų68.817%0.16544%0.438CS..SBendtrans-61.9127.9178.400000110.6T23 V24 D63 P64T23-A66 CarbonylContact C-O 3.58Å; T23-A66 VanDerWaalsContact CA-O 3.31Å; T23-A66 WeakPolarHBondContact CA-O 3.31Å; V24-A66 HydrophobicContact CG2-CB 4.06Å; V24-A66 PolarHBondContact N-O 3.13Å; D63-A66 HydrophobicContact CB-CB 4.12Å; D63-A66 WeakPolarHBondContact O-CB 3.48Å; D63-A66 PolarHBondContact O-N 2.85Å; D63-A66 PolarHBondContact OD2-N 2.98Å; P64-A66 VanDerWaalsContact C-N 3.35Å
67P93.4Very high88.4Confident58 Ų5864.9 Ų64.938%0.37740%0.404SS..BIsolated β-bridgetrans-72.8136.7179.829.3-33.9000110.4S69 S70P67-S69 PolarHBondContact O-N 2.81Å; P67-S70 WeakPolarHBondContact O-CB 3.32Å; P67-S70 PolarHBondContact O-N 3.44Å; P67-S70 PolarHBondContact O-OG 3.17Å
68L92Very high89.4Confident3 Ų363.9 Ų63.92%0.01639%0.387CS..G310 helixtrans-61.3-26.6178.2-66.6-176.7000112.4M1 V16 A22 V24 L27 S70 L71 L73M1-L68 HydrophobicContact CE-CD1 4.49Å; V16-L68 HydrophobicContact CG1-CD1 4.09Å; V16-L68 HydrophobicContact CG2-CD1 4.37Å; A22-L68 HydrophobicContact CB-CD1 3.73Å; A22-L68 HydrophobicContact CB-CG 4.3Å; A22-L68 WeakPolarHBondContact O-CB 3.32Å; A22-L68 WeakPolarHBondContact O-CG 3.47Å; A22-L68 PolarHBondContact O-N 3.49Å; V24-L68 HydrophobicContact CG2-CD2 4.11Å; L27-L68 HydrophobicContact CB-CD1 4.25Å; L27-L68 HydrophobicContact CB-CD2 4.26Å; L27-L68 HydrophobicContact CD2-CD2 4.09Å; L68-S70 PolarHBondContact O-N 3.35Å; L68-L71 HydrophobicContact CD2-CD1 3.87Å; L68-L71 WeakPolarHBondContact O-CB 3.39Å; L68-L71 PolarHBondContact O-N 2.86Å; L68-L73 HydrophobicContact CD2-CD1 4.33Å
69S89.4Confident90.1Very high78 Ų7863.3 Ų63.355%0.54538%0.383SS..G310 helixtrans-60.4-24.2174570000113.2P67 L71P67-S69 PolarHBondContact O-N 2.81Å; S69-L71 VanDerWaalsContact C-N 3.31Å
70S90.5Very high90.4Very high73 Ų7361.7 Ų61.751%0.5136%0.361SS..G310 helixtrans-75.2-18.8174.270.80000113.8P67 L68 R72P67-S70 WeakPolarHBondContact O-CB 3.32Å; P67-S70 PolarHBondContact O-N 3.44Å; P67-S70 PolarHBondContact O-OG 3.17Å; L68-S70 PolarHBondContact O-N 3.35Å; S70-R72 VanDerWaalsContact C-N 3.33Å; S70-R72 PolarHBondContact O-N 3.19Å
71L89.9Confident90.4Very high31 Ų3158.4 Ų58.416%0.16234%0.344CS..G310 helixtrans-88.76.2-172-61-177.3000114V24 L46 L61 L68 S69 L73V24-L71 HydrophobicContact CG2-CD1 3.93Å; L46-L71 HydrophobicContact CD1-CB 4.15Å; L61-L71 HydrophobicContact CD1-CD1 3.78Å; L61-L71 HydrophobicContact CD2-CD1 3.78Å; L61-L71 HydrophobicContact CD2-CD2 3.61Å; L61-L71 HydrophobicContact CD2-CG 4.37Å; L61-L71 HydrophobicContact CG-CD1 4.42Å; L68-L71 HydrophobicContact CD2-CD1 3.87Å; L68-L71 WeakPolarHBondContact O-CB 3.39Å; L68-L71 PolarHBondContact O-N 2.86Å; S69-L71 VanDerWaalsContact C-N 3.31Å; L71-L73 HydrophobicContact CB-CD1 3.99Å; L71-L73 HydrophobicContact CB-CG 3.88Å; L71-L73 HydrophobicContact CD1-CD1 4.2Å; L71-L73 PolarHBondContact O-N 2.99Å; L71-L73 VanDerWaalsContact O-N 3.11Å
72R86.5Confident90.4Very high237 Ų23758.2 Ų58.289%0.89435%0.345SS*.THydrogen-bonded Turntrans50.931.9-177.2-58.3-174.2-179.4-1710.7113.9S70S70-R72 VanDerWaalsContact C-N 3.33Å; S70-R72 PolarHBondContact O-N 3.19Å
73L90.1Very high90.6Very high30 Ų3055.6 Ų55.616%0.15732%0.317CS..  trans-77.1138.5177.8-65.1172.4000110.9M1 L3 L46 L68 L71 V79M1-L73 HydrophobicContact CE-CB 4.21Å; M1-L73 HydrophobicContact SD-CB 4.07Å; L3-L73 HydrophobicContact CD1-CD1 4.07Å; L3-L73 HydrophobicContact CD2-CB 4.13Å; L3-L73 HydrophobicContact CD2-CD1 4.24Å; L3-L73 HydrophobicContact CD2-CD2 4.41Å; L46-L73 HydrophobicContact CD2-CD2 3.78Å; L68-L73 HydrophobicContact CD2-CD1 4.33Å; L71-L73 HydrophobicContact CB-CD1 3.99Å; L71-L73 HydrophobicContact CB-CG 3.88Å; L71-L73 HydrophobicContact CD1-CD1 4.2Å; L71-L73 PolarHBondContact O-N 2.99Å; L71-L73 VanDerWaalsContact O-N 3.11Å; L73-V79 HydrophobicContact CD1-CG2 4.28Å; L73-V79 HydrophobicContact CD2-CG2 4.17Å
74S87.9Confident90.4Very high71 Ų7154.3 Ų54.350%0.49731%0.314SS..  trans-122.8171.9173.469.20000110.8G76 S77S74-G76 PolarHBondContact O-N 3.29Å; S74-S77 PolarHBondContact N-OG 3.29Å; S74-S77 WeakPolarHBondContact O-CB 3.32Å; S74-S77 PolarHBondContact O-N 2.93Å; S74-S77 PolarHBondContact O-OG 3.44Å; S74-S77 PolarHBondContact OG-OG 3.01Å; S74-S77 VanDerWaalsContact OG-OG 3.08Å
75N86.2Confident89.6Confident116 Ų11656.8 Ų56.862%0.6233%0.329SS*.THydrogen-bonded Turntrans-60.2123.6176.3-162.418.3000110.7I2I2-N75 WeakPolarHBondContact CA-OD1 3.08Å; I2-N75 VanDerWaalsContact CB-OD1 3.3Å; I2-N75 WeakPolarHBondContact CB-OD1 3.28Å; I2-N75 PolarHBondContact N-OD1 3.43Å; I2-N75 PolarHBondContact O-OD1 3.38Å
76G79.9Confident88.7Confident24 Ų2461 Ų6125%0.24734%0.342CS..THydrogen-bonded Turntrans90.4-2.7-175.200000115.1I2 R4 S74I2-G76 PolarHBondContact O-N 3.08Å; R4-G76 WeakPolarHBondContact CD-O 3.23Å; S74-G76 PolarHBondContact O-N 3.29Å
77S89.7Confident88.1Confident24 Ų2460.4 Ų60.417%0.16834%0.338CS..  trans-60.7145.6177.4-70.20000112.3R4 S74R4-S77 PolarHBondContact N-O 2.64Å; S74-S77 PolarHBondContact N-OG 3.29Å; S74-S77 WeakPolarHBondContact O-CB 3.32Å; S74-S77 PolarHBondContact O-N 2.93Å; S74-S77 PolarHBondContact O-OG 3.44Å; S74-S77 PolarHBondContact OG-OG 3.01Å; S74-S77 VanDerWaalsContact OG-OG 3.08Å
78F89.4Confident87.1Confident80 Ų8059.6 Ų59.635%0.35133%0.327SS..EExtended strand (participates in β ladder)trans-85.9139.4176.8-77-82.9000111.9R4 R6 T11 Y80R4-F78 HydrophobicContact CB-CD1 3.58Å; R4-F78 HydrophobicContact CB-CE1 3.67Å; R4-F78 HydrophobicContact CB-CG 4.17Å; R4-F78 HydrophobicContact CB-CZ 4.31Å; R4-F78 HydrophobicContact CG-CE1 4.38Å; R4-F78 CarbonylContact O-C 3.39Å; R4-F78 VanDerWaalsContact O-CA 3.3Å; R4-F78 WeakPolarHBondContact O-CA 3.33Å; R6-F78 HydrophobicContact CB-CD1 4.07Å; R6-F78 HydrophobicContact CB-CE1 4.48Å; T11-F78 HydrophobicContact CG2-CE1 4.03Å; F78-Y80 HydrophobicContact CB-CE2 4.19Å
79V94.2Very high86Confident0 Ų062.5 Ų62.50%035%0.348CS..EExtended strand (participates in β ladder)trans-127.6126.4165-179.30000106.6L3 R4 I5 R6 L27 L44 L46 L61 L73L3-V79 HydrophobicContact CD1-CG2 4.23Å; R4-V79 PolarHBondContact O-N 3.32Å; I5-V79 CarbonylContact C-O 3.53Å; I5-V79 VanDerWaalsContact CA-O 3.27Å; I5-V79 WeakPolarHBondContact CA-O 3.42Å; I5-V79 HydrophobicContact CD1-CB 3.85Å; I5-V79 HydrophobicContact CD1-CG1 4.49Å; I5-V79 HydrophobicContact CD1-CG2 4.38Å; R6-V79 PolarHBondContact N-O 2.88Å; L27-V79 HydrophobicContact CD2-CG1 4.39Å; L27-V79 HydrophobicContact CD2-CG2 4.34Å; L44-V79 HydrophobicContact CB-CG1 4.36Å; L44-V79 HydrophobicContact CD2-CG1 4.26Å; L46-V79 HydrophobicContact CD2-CG2 4.05Å; L61-V79 HydrophobicContact CD1-CG1 4.48Å; L73-V79 HydrophobicContact CD1-CG2 4.28Å; L73-V79 HydrophobicContact CD2-CG2 4.17Å
80Y93.3Very high84.4Confident42 Ų4264.7 Ų64.717%0.16536%0.363CS..EExtended strand (participates in β ladder)trans-89.7134-178.5-59.5-85.2000109.7R6 L44 S45 L46 D47 P48 L50 L51 F78R6-Y80 HydrophobicContact CB-CD1 3.78Å; R6-Y80 HydrophobicContact CB-CE1 3.96Å; R6-Y80 HydrophobicContact CG-CD1 4Å; R6-Y80 HydrophobicContact CG-CE1 4Å; R6-Y80 CarbonylContact O-C 3.57Å; R6-Y80 VanDerWaalsContact O-CA 3.3Å; R6-Y80 WeakPolarHBondContact O-CA 3.43Å; L44-Y80 CarbonylContact C-O 3.43Å; L44-Y80 VanDerWaalsContact CA-O 3.32Å; L44-Y80 WeakPolarHBondContact CA-O 3.42Å; S45-Y80 PolarHBondContact N-O 3.44Å; S45-Y80 PolarHBondContact O-N 3.38Å; L46-Y80 WeakPolarHBondContact O-CE2 3.28Å; D47-Y80 VanDerWaalsContact C-CD2 3.43Å; D47-Y80 WeakPolarHBondContact O-CD2 3.45Å; P48-Y80 HydrophobicContact CB-CD1 4.29Å; P48-Y80 HydrophobicContact CB-CD2 4.44Å; P48-Y80 HydrophobicContact CB-CE1 3.74Å; P48-Y80 HydrophobicContact CB-CE2 3.91Å; P48-Y80 HydrophobicContact CG-CE2 4.33Å; L50-Y80 VanDerWaalsContact CD2-O 3.3Å; L50-Y80 WeakPolarHBondContact CD2-O 3.32Å; L51-Y80 HydrophobicContact CD1-CD1 3.8Å; L51-Y80 HydrophobicContact CG-CD1 4.18Å; F78-Y80 HydrophobicContact CB-CE2 4.19Å
81L93.9Very high82.2Confident0 Ų068.4 Ų68.40%037%0.372CS..EExtended strand (participates in β ladder)trans-123.2120.9-176.7167.664.6000109.3I5 R6 S7 I31 V35 Q42 R43 L44 L51 Y83I5-L81 HydrophobicContact CG2-CB 3.65Å; I5-L81 HydrophobicContact CG2-CD2 3.81Å; I5-L81 HydrophobicContact CG2-CG 4.37Å; R6-L81 PolarHBondContact O-N 3.33Å; S7-L81 WeakPolarHBondContact CA-O 3.36Å; S7-L81 VanDerWaalsContact CB-O 3.32Å; S7-L81 WeakPolarHBondContact CB-O 3.32Å; I31-L81 HydrophobicContact CG2-CD2 3.62Å; V35-L81 HydrophobicContact CG1-CD2 4.19Å; Q42-L81 HydrophobicContact CB-CD1 3.85Å; Q42-L81 HydrophobicContact CG-CD1 3.96Å; R43-L81 WeakPolarHBondContact O-CA 3.45Å; L44-L81 HydrophobicContact CD2-CB 3.88Å; L44-L81 HydrophobicContact CD2-CD1 3.58Å; L44-L81 HydrophobicContact CD2-CG 4.26Å; L51-L81 WeakPolarHBondContact CD2-O 3.15Å; L81-Y83 HydrophobicContact CD1-CD1 4Å; L81-Y83 HydrophobicContact CD2-CD1 3.98Å; L81-Y83 HydrophobicContact CD2-CE1 3.81Å; L81-Y83 HydrophobicContact CG-CD1 3.66Å; L81-Y83 HydrophobicContact CG-CE1 3.83Å
82S91.8Very high80Confident22 Ų2270.9 Ų70.915%0.15439%0.39CS..EExtended strand (participates in β ladder)trans-115.3141.3169.8177.70000109.9R43R43-S82 WeakPolarHBondContact CB-O 3.42Å; R43-S82 PolarHBondContact N-O 2.78Å; R43-S82 PolarHBondContact O-N 3.18Å
83Y91.1Very high78Confident29 Ų2963.2 Ų63.211%0.11437%0.371CS..  trans-151.5161.1176.147.8-87.7000109.7S7 D9 V37 L41 L81 A87 R88S7-Y83 PolarHBondContact OG-OH 2.81Å; D9-Y83 PolarHBondContact OD2-OH 3.23Å; V37-Y83 HydrophobicContact CG1-CD1 4.03Å; V37-Y83 HydrophobicContact CG1-CD2 4.45Å; V37-Y83 HydrophobicContact CG1-CG 3.81Å; V37-Y83 HydrophobicContact CG2-CD1 3.75Å; V37-Y83 HydrophobicContact CG2-CD2 4.05Å; V37-Y83 HydrophobicContact CG2-CE1 3.77Å; V37-Y83 HydrophobicContact CG2-CE2 4.06Å; V37-Y83 HydrophobicContact CG2-CG 3.9Å; L41-Y83 WeakPolarHBondContact O-CB 3.3Å; L81-Y83 HydrophobicContact CD1-CD1 4Å; L81-Y83 HydrophobicContact CD2-CD1 3.98Å; L81-Y83 HydrophobicContact CD2-CE1 3.81Å; L81-Y83 HydrophobicContact CG-CD1 3.66Å; L81-Y83 HydrophobicContact CG-CE1 3.83Å; Y83-A87 HydrophobicContact CD2-CB 4Å; Y83-A87 HydrophobicContact CG-CB 4.44Å; Y83-R88 HydrophobicContact CE2-CG 3.93Å; Y83-R88 PolarHBondContact OH-NE 3.49Å; Y83-R88 PolarHBondContact OH-NH1 2.86Å; Y83-R88 VanDerWaalsContact OH-NH1 3.08Å
84P88Confident75.5Confident66 Ų6667.1 Ų67.143%0.42940%0.398SS..  trans-59.5144.9172.5-22.733.6000111.9L41 D86 A87L41-P84 HydrophobicContact CD2-CG 4.47Å; P84-D86 PolarHBondContact O-N 3.5Å; P84-A87 HydrophobicContact CB-CB 4.37Å; P84-A87 WeakPolarHBondContact O-CB 3.23Å; P84-A87 PolarHBondContact O-N 3.47Å
85P76.2Confident72.9Confident117 Ų11769.4 Ų69.476%0.7641%0.412SS*.G310 helixtrans-51.8-35.6-175.2-2733.9000114.7A87P85-A87 VanDerWaalsContact C-N 3.33Å; P85-A87 PolarHBondContact O-N 2.86Å
86D75.8Confident70.4Confident159 Ų15973.6 Ų73.685%0.8542%0.424SS*.G310 helixtrans-90.48.2-177.3-50.1-46.7000113.7P84P84-D86 PolarHBondContact O-N 3.5Å
87A80.4Confident68.2Low9 Ų976.9 Ų76.97%0.07445%0.449CS..G310 helixtrans-78.8-20.3-172.900000114.1V37 P38 L41 Y83 P84 P85 S89V37-A87 HydrophobicContact CG1-CB 4.5Å; P38-A87 WeakPolarHBondContact CD-O 3.39Å; L41-A87 HydrophobicContact CB-CB 4.21Å; L41-A87 HydrophobicContact CD1-CB 3.57Å; Y83-A87 HydrophobicContact CD2-CB 4Å; Y83-A87 HydrophobicContact CG-CB 4.44Å; P84-A87 HydrophobicContact CB-CB 4.37Å; P84-A87 WeakPolarHBondContact O-CB 3.23Å; P84-A87 PolarHBondContact O-N 3.47Å; P85-A87 VanDerWaalsContact C-N 3.33Å; P85-A87 PolarHBondContact O-N 2.86Å; A87-S89 PolarHBondContact O-N 3.18Å
88R73.9Confident65.7Low40 Ų4084 Ų8415%0.15148%0.484CS..SBendtrans-73.1116176.6-92.8-175.6162.9158.7-13.2109.9D9 D12 V35 V37 Y83 S90 E291D9-R88 IonicContact OD2-CZ 3.92Å; D9-R88 IonicContact OD2-NH1 3.33Å; D9-R88 PolarHBondContact OD2-NH1 3.26Å; D12-R88 IonicContact OD2-NH2 2.87Å; D12-R88 PolarHBondContact OD2-NH2 3.3Å; V35-R88 VanDerWaalsContact CG1-NH2 3.33Å; V35-R88 PolarHBondContact O-NE 3.37Å; V37-R88 HydrophobicContact CG2-CG 3.82Å; Y83-R88 HydrophobicContact CE2-CG 3.93Å; Y83-R88 PolarHBondContact OH-NE 3.49Å; Y83-R88 PolarHBondContact OH-NH1 2.86Å; Y83-R88 VanDerWaalsContact OH-NH1 3.08Å; R88-S90 PolarHBondContact O-N 3.21Å; R88-E291 IonicContact CZ-OE1 2.95Å; R88-E291 IonicContact CZ-OE2 2.68Å; R88-E291 IonicContact NE-OE1 3.06Å; R88-E291 IonicContact NE-OE2 3.16Å; R88-E291 IonicContact NH1-OE1 2.69Å; R88-E291 PolarHBondContact NH1-OE1 3.34Å; R88-E291 IonicContact NH1-OE2 3.9Å; R88-E291 IonicContact NH2-OE1 2.63Å; R88-E291 PolarHBondContact NH2-OE1 2.92Å
89S67.2Low63Low65 Ų6584.8 Ų84.846%0.45550%0.499SS..  trans-67.6122.5168.2166.80000108.8T36 A87 Q91T36-S89 WeakPolarHBondContact CB-O 3.26Å; T36-S89 PolarHBondContact O-N 3.33Å; T36-S89 PolarHBondContact OG1-O 3.4Å; T36-S89 VanDerWaalsContact OG1-O 3.08Å; A87-S89 PolarHBondContact O-N 3.18Å; S89-Q91 PolarHBondContact O-N 2.85Å
90S56.6Low60.3Low124 Ų12490.1 Ų90.187%0.86754%0.544SS*.SBendtrans-64.512.7-178.762.90000115.3R88R88-S90 PolarHBondContact O-N 3.21Å
91Q44.8Very low57.5Low151 Ų15192 Ų9271%0.70657%0.568SS**  trans-132.1112.6173.2-88.1-176.1-41.600109.7S89S89-Q91 PolarHBondContact O-N 2.85Å
92P44Very low54.6Low82 Ų8295.4 Ų95.453%0.53260%0.603SS.*PPolyproline II helixtrans-57.1143157.6-14.427.8000108.9T36T36-P92 HydrophobicContact CG2-CB 4.22Å; T36-P92 HydrophobicContact CG2-CG 4.5Å
93P43.7Very low52Low76 Ų7699.3 Ų99.349%0.49463%0.63SS.*PPolyproline II helixtrans-57.1139.417023.6-30.2000108.6A33A33-P93 WeakPolarHBondContact O-CD 3.29Å; A33-P93 WeakPolarHBondContact O-CG 3.41Å
94P37.3Very low49.5Very low113 Ų113108.9 Ų108.973%0.73467%0.673SS**PPolyproline II helixtrans-54.6144.3-179.722.6-32.1000108.9K96P94-K96 PolarHBondContact O-N 2.78Å
95P34.7Very low47.4Very low119 Ų119109.3 Ų109.377%0.77369%0.689SS**PPolyproline II helixtrans-50.8136.9176.321.8-31.3000107.8A97P95-A97 PolarHBondContact O-N 3.22Å
96K33.7Very low46.3Very low204 Ų204112.2 Ų112.289%0.88769%0.69SS**  trans-41.4113.9169.8-83.3-177.7176.8178.50105.9P94 L98P94-K96 PolarHBondContact O-N 2.78Å; K96-L98 PolarHBondContact O-N 2.8Å
97A32.6Very low45Very low93 Ų93113.7 Ų113.777%0.76969%0.689SS**  trans-45.7119174.600000104.9P95 S99P95-A97 PolarHBondContact O-N 3.22Å; A97-S99 VanDerWaalsContact C-N 3.26Å; A97-S99 PolarHBondContact O-N 3.47Å
98L37Very low43.7Very low173 Ų173117.6 Ų117.691%0.90671%0.707SS**  trans-48.2106174-80.4153.1000104.3K96 A100K96-L98 PolarHBondContact O-N 2.8Å; L98-A100 PolarHBondContact O-N 2.75Å
99S33.5Very low43.6Very low96 Ų96118.8 Ų118.867%0.67172%0.718SS**  trans-57.3122.3171.863.90000102.7A97 A101A97-S99 VanDerWaalsContact C-N 3.26Å; A97-S99 PolarHBondContact O-N 3.47Å; S99-A101 PolarHBondContact O-N 3.26Å
100A37Very low43.4Very low112 Ų112122 Ų12293%0.92673%0.728SS**  trans-6765.117200000108.1L98L98-A100 PolarHBondContact O-N 2.75Å
101A33.7Very low43.9Very low83 Ų83121.7 Ų121.769%0.68672%0.717SS**  trans-96.794175.200000105.6S99S99-A101 PolarHBondContact O-N 3.26Å
102G33.5Very low45Very low71 Ų71117.2 Ų117.273%0.73270%0.698SS**SBendtrans84.276150.600000117.1
103S37.7Very low46Very low103 Ų103118 Ų11872%0.7270%0.696SS**  -165.677.4119.255.10000109.3G105S103-G105 PolarHBondContact O-N 3.43Å
104F37.6Very low46.6Very low231 Ų231117.3 Ų117.3100%1.01369%0.688SS**THydrogen-bonded Turntrans-59.6100.4161.4-124-98.7000107
105G45Very low47.7Very low75 Ų75116 Ų11677%0.77369%0.687SS**THydrogen-bonded Turntrans156-20.4169.600000118.7S103S103-G105 PolarHBondContact O-N 3.43Å
106K52.2Low49.4Very low177 Ų177119.5 Ų119.577%0.7768%0.684SS**  trans-96.2105.4174.8-139.2179.9-177.1-170.40109.3M108K106-M108 PolarHBondContact O-N 3.19Å
107K48.6Very low51.7Low191 Ų191112.9 Ų112.983%0.8366%0.657SS**  trans-56.4108.5168.4-71.1180176.2179.40107.1T109K107-T109 PolarHBondContact O-N 2.97Å
108M52.9Low54.3Low90 Ų90110.1 Ų110.144%0.44363%0.629SS.*  trans-60.7120.7170.5-87.8176.596.600107.6K106 D112 L113K106-M108 PolarHBondContact O-N 3.19Å; M108-D112 WeakPolarHBondContact CA-OD2 3.4Å; M108-D112 HydrophobicContact CB-CB 4.29Å; M108-D112 HydrophobicContact CE-CB 4.31Å; M108-D112 HydrophobicContact CG-CB 4.22Å; M108-L113 HydrophobicContact CE-CD2 4.02Å
109T72.6Confident56.8Low65 Ų65107.8 Ų107.840%0.39961%0.608SS.*  trans-77.9164.1173.662.80000109.6K107 D111 D112 L113K107-T109 PolarHBondContact O-N 2.97Å; T109-D111 PolarHBondContact O-N 3.06Å; T109-D112 PolarHBondContact N-OD2 3.45Å; T109-D112 WeakPolarHBondContact O-CB 3.31Å; T109-D112 PolarHBondContact O-N 3.17Å; T109-D112 PolarHBondContact OG1-N 2.98Å; T109-D112 PolarHBondContact OG1-OD2 3.41Å; T109-L113 PolarHBondContact O-N 3.16Å
110M63.7Low59.7Low134 Ų134103.3 Ų103.366%0.6658%0.577SS**Hα-helixtrans-55-34.1170.5-174.463.6177.500111.1L113 I114M110-L113 WeakPolarHBondContact O-CB 3.46Å; M110-L113 PolarHBondContact O-N 2.84Å; M110-I114 HydrophobicContact CE-CD1 4.42Å; M110-I114 HydrophobicContact CG-CD1 4.03Å; M110-I114 VanDerWaalsContact O-CG1 3.32Å; M110-I114 WeakPolarHBondContact O-CG1 3.37Å; M110-I114 PolarHBondContact O-N 3.04Å
111D65.6Low62.3Low117 Ų117102.5 Ų102.563%0.62656%0.56SS**Hα-helixtrans-66-37.1176.2-55.4-37.6000112.4T109 L113 I114 A115T109-D111 PolarHBondContact O-N 3.06Å; D111-L113 VanDerWaalsContact C-N 3.29Å; D111-L113 PolarHBondContact O-N 2.87Å; D111-I114 PolarHBondContact O-N 3.05Å; D111-A115 WeakPolarHBondContact O-CB 3.35Å; D111-A115 PolarHBondContact O-N 2.95Å
112D68.4Low64.9Low57 Ų57105.6 Ų105.631%0.30555%0.554SS.*Hα-helixtrans-65.4-33.6174.8-67.9-37.8000111.8M108 T109 R116M108-D112 WeakPolarHBondContact CA-OD2 3.4Å; M108-D112 HydrophobicContact CB-CB 4.29Å; M108-D112 HydrophobicContact CE-CB 4.31Å; M108-D112 HydrophobicContact CG-CB 4.22Å; T109-D112 PolarHBondContact N-OD2 3.45Å; T109-D112 WeakPolarHBondContact O-CB 3.31Å; T109-D112 PolarHBondContact O-N 3.17Å; T109-D112 PolarHBondContact OG1-N 2.98Å; T109-D112 PolarHBondContact OG1-OD2 3.41Å; D112-R116 WeakPolarHBondContact O-CG 3.5Å; D112-R116 PolarHBondContact O-N 2.81Å
113L64.7Low67.6Low97 Ų97103.8 Ų103.851%0.50853%0.526SS..Hα-helixtrans-71.2-46.2175.1-70.9168.6000111.1M108 T109 M110 D111 A115 R116 Q117M108-L113 HydrophobicContact CE-CD2 4.02Å; T109-L113 PolarHBondContact O-N 3.16Å; M110-L113 WeakPolarHBondContact O-CB 3.46Å; M110-L113 PolarHBondContact O-N 2.84Å; D111-L113 VanDerWaalsContact C-N 3.29Å; D111-L113 PolarHBondContact O-N 2.87Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.79Å; L113-R116 PolarHBondContact O-N 3.32Å; L113-Q117 PolarHBondContact O-N 3.5Å
114I57.1Low70.1Confident62 Ų62106.8 Ų106.832%0.31853%0.529SS..Hα-helixtrans-60.3-42.6175.9-68.7165.8000110.9M110 D111 R116 Q117M110-I114 HydrophobicContact CE-CD1 4.42Å; M110-I114 HydrophobicContact CG-CD1 4.03Å; M110-I114 VanDerWaalsContact O-CG1 3.32Å; M110-I114 WeakPolarHBondContact O-CG1 3.37Å; M110-I114 PolarHBondContact O-N 3.04Å; D111-I114 PolarHBondContact O-N 3.05Å; I114-R116 PolarHBondContact O-N 3.09Å; I114-Q117 WeakPolarHBondContact O-CB 3.27Å; I114-Q117 PolarHBondContact O-N 2.66Å; I114-Q117 VanDerWaalsContact O-N 3.12Å
115A59.9Low72.7Confident85 Ų8598.8 Ų98.870%0.70251%0.505SS*.Hα-helixtrans-65.8-22.618000000113.4D111 L113D111-A115 WeakPolarHBondContact O-CB 3.35Å; D111-A115 PolarHBondContact O-N 2.95Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 2.79Å
116R71.1Confident75.1Confident193 Ų19396.8 Ų96.873%0.72848%0.479SS*.Hα-helixtrans-87.2-18.7174.5-76.8-177170.1-166.8-2.2113.5D112 L113 I114D112-R116 WeakPolarHBondContact O-CG 3.5Å; D112-R116 PolarHBondContact O-N 2.81Å; L113-R116 PolarHBondContact O-N 3.32Å; I114-R116 PolarHBondContact O-N 3.09Å
117Q80.9Confident77.2Confident66 Ų6691.6 Ų91.631%0.30846%0.459SS..SBendtrans-75.4125.6180-147.2-178.112.100109.6L113 I114 R119 V308 D313L113-Q117 PolarHBondContact O-N 3.5Å; I114-Q117 WeakPolarHBondContact O-CB 3.27Å; I114-Q117 PolarHBondContact O-N 2.66Å; I114-Q117 VanDerWaalsContact O-N 3.12Å; Q117-R119 PolarHBondContact O-N 3.2Å; Q117-V308 HydrophobicContact CG-CG2 3.53Å; Q117-D313 PolarHBondContact NE2-OD1 3.5Å
118I87.3Confident79.5Confident35 Ų3582.5 Ų82.518%0.17942%0.419CS..  trans-82.1114.9178.3-70.1155.1000108.5I278 L282 V307 V308I118-I278 HydrophobicContact CG2-CD1 4.22Å; I118-L282 HydrophobicContact CG2-CD2 3.72Å; I118-V307 HydrophobicContact CB-CG1 4.21Å; I118-V307 HydrophobicContact CG2-CG1 4.11Å; I118-V307 CarbonylContact O-C 3.59Å; I118-V307 WeakPolarHBondContact O-CA 3.21Å; I118-V308 PolarHBondContact O-N 3.32Å
119R91.1Very high81.5Confident124 Ų12480.3 Ų80.347%0.46842%0.416SS..EExtended strand (participates in β ladder)trans-97.5124.1177.7-60.3-174.9176.5-126.9-9.6109.6Q117 V308Q117-R119 PolarHBondContact O-N 3.2Å; R119-V308 CarbonylContact C-O 3.55Å; R119-V308 WeakPolarHBondContact CA-O 3.33Å; R119-V308 HydrophobicContact CG-CB 4.13Å; R119-V308 HydrophobicContact CG-CG2 4.27Å
120V93.6Very high82.7Confident2 Ų277.7 Ų77.71%0.01240%0.401CS..EExtended strand (participates in β ladder)trans-95.7103.1170.3-172.30000107.9I278 L282 V307 V308 A309 V317 F321 F322V120-I278 HydrophobicContact CG1-CG2 4.18Å; V120-I278 HydrophobicContact CG2-CG1 4.33Å; V120-L282 HydrophobicContact CG2-CD1 3.92Å; V120-V307 HydrophobicContact CG2-CB 4.17Å; V120-V307 HydrophobicContact CG2-CG2 4.05Å; V120-V308 PolarHBondContact N-O 3.44Å; V120-A309 HydrophobicContact CB-CB 4.2Å; V120-V317 HydrophobicContact CG1-CG1 3.95Å; V120-V317 HydrophobicContact CG2-CG2 4.33Å; V120-F321 HydrophobicContact CG1-CB 3.99Å; V120-F321 HydrophobicContact CG1-CD1 4.41Å; V120-F321 HydrophobicContact CG1-CG 4.46Å; V120-F322 HydrophobicContact CG1-CD1 4.28Å; V120-F322 HydrophobicContact CG1-CE1 3.6Å; V120-F322 HydrophobicContact CG1-CZ 4.37Å
121T90.5Very high84.3Confident94 Ų9471.3 Ų71.358%0.57737%0.369SS*.  trans-110.7149.2175.553.60000109.5Q123T121-Q123 PolarHBondContact O-N 3.15Å
122R88.8Confident85.9Confident149 Ų14965.8 Ų65.856%0.56234%0.34SS*.  trans-60.8135.6172.2-168.2175.2-1721624.4109.4
123Q91.1Very high87.3Confident32 Ų3263.5 Ų63.515%0.1533%0.327CS..  trans-90.6121.6171174.9177.8-27.700108.1T121 A125 V324T121-Q123 PolarHBondContact O-N 3.15Å; Q123-A125 VanDerWaalsContact CG-O 3.31Å; Q123-A125 WeakPolarHBondContact CG-O 3.32Å; Q123-A125 PolarHBondContact NE2-O 3.41Å; Q123-V324 HydrophobicContact CB-CG2 3.78Å; Q123-V324 HydrophobicContact CG-CG1 4.32Å; Q123-V324 HydrophobicContact CG-CG2 3.99Å
124E89.2Confident88.8Confident167 Ų16759 Ų5978%0.7830%0.304SS*.SBendtrans-74.9-32.7-171.9-64.1-59.6146.100113.3
125A92.6Very high90.7Very high62 Ų6261.3 Ų61.351%0.51231%0.308SS..SBendtrans-132.3137.4-177.700000111.3Q123Q123-A125 VanDerWaalsContact CG-O 3.31Å; Q123-A125 WeakPolarHBondContact CG-O 3.32Å; Q123-A125 PolarHBondContact NE2-O 3.41Å
126P95.7Very high92.4Very high33 Ų3360.4 Ų60.421%0.21429%0.292CS..  trans-69.2156.9171.331.2-36000110.4C128 Q274 V324 P325 V326P126-C128 VanDerWaalsContact C-N 3.26Å; P126-C128 WeakPolarHBondContact CB-O 3.41Å; P126-C128 WeakPolarHBondContact CG-O 3.44Å; P126-Q274 HydrophobicContact CB-CB 4.21Å; P126-V324 HydrophobicContact CB-CB 4.41Å; P126-V324 HydrophobicContact CB-CG1 3.78Å; P126-V324 HydrophobicContact CG-CG1 4.29Å; P126-P325 WeakPolarHBondContact CG-O 3.41Å; P126-V326 HydrophobicContact CB-CG2 3.81Å; P126-V326 HydrophobicContact CG-CG2 4.1Å
127L96.5Very high93.7Very high68 Ų6851.5 Ų51.536%0.35626%0.259SS..SBendtrans-74-23.3168.5-58.4177.5000111.6P249 E277L127-P249 HydrophobicContact CB-CB 4.48Å; L127-P249 WeakPolarHBondContact CB-O 3.48Å; L127-P249 HydrophobicContact CD1-CB 4Å; L127-E277 HydrophobicContact CD1-CG 4.04Å
128C96.4Very high94.3Very high0 Ų048.8 Ų48.80%025%0.248CC..SBendtrans-86.9118.4169.7177.30000110.5P126 A130 V170 E250 V252 V326P126-C128 VanDerWaalsContact C-N 3.26Å; P126-C128 WeakPolarHBondContact CB-O 3.41Å; P126-C128 WeakPolarHBondContact CG-O 3.44Å; C128-A130 PolarHBondContact SG-O 3.15Å; C128-V170 VanDerWaalsContact SG-CG2 3.53Å; C128-E250 HydrophobicContact CB-CB 4.13Å; C128-E250 WeakPolarHBondContact CB-O 3.45Å; C128-V252 HydrophobicContact CB-CG2 4.12Å; C128-V252 WeakPolarHBondContact SG-CG2 3.18Å; C128-V326 HydrophobicContact CB-CG1 4.42Å; C128-V326 HydrophobicContact CB-CG2 4.47Å
129A95.4Very high94.6Very high45 Ų4550.6 Ų50.637%0.37226%0.258SS..  trans-68.5-40.1-176.400000113T167 K168 E169A129-T167 WeakPolarHBondContact CB-O 3.07Å; A129-K168 HydrophobicContact CB-CB 4.25Å; A129-K168 PolarHBondContact N-O 2.87Å; A129-E169 HydrophobicContact CB-CG 4.23Å
130A97.1Very high94.8Very high9 Ų945.6 Ų45.67%0.07424%0.243CC..EExtended strand (participates in β ladder)trans-161.1156175.800000110.5C128 E169 V170 K327C128-A130 PolarHBondContact SG-O 3.15Å; A130-E169 HydrophobicContact CB-CG 4.1Å; A130-E169 WeakPolarHBondContact O-CA 3.45Å; A130-V170 PolarHBondContact O-N 3.46Å; A130-K327 CarbonylContact C-O 3.58Å; A130-K327 VanDerWaalsContact CA-O 3.29Å; A130-K327 WeakPolarHBondContact CA-O 3.39Å; A130-K327 HydrophobicContact CB-CB 4.05Å
131A98.1Very high94.8Very high0 Ų045.5 Ų45.50%024%0.243CC..EExtended strand (participates in β ladder)trans-112.9114.6172.200000109.5F133 V170 V252 A272 V326 K327 I328 S329A131-F133 HydrophobicContact CB-CE2 3.73Å; A131-F133 HydrophobicContact CB-CZ 4.07Å; A131-V170 CarbonylContact C-O 3.36Å; A131-V170 WeakPolarHBondContact CA-O 3.43Å; A131-V252 HydrophobicContact CB-CG1 3.91Å; A131-V252 HydrophobicContact CB-CG2 4.07Å; A131-A272 HydrophobicContact CB-CB 4.39Å; A131-V326 HydrophobicContact CB-CG1 3.99Å; A131-K327 PolarHBondContact N-O 3.28Å; A131-I328 WeakPolarHBondContact O-CA 3.1Å; A131-S329 PolarHBondContact O-N 3.36Å
132S98Very high94.8Very high2 Ų242.8 Ų42.81%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-99.1124.2174-167.60000110V170 F171 V172 S329 D330 H331S132-V170 PolarHBondContact N-O 3.27Å; S132-F171 CarbonylContact O-C 3.54Å; S132-F171 WeakPolarHBondContact O-CA 3.42Å; S132-V172 PolarHBondContact O-N 3.24Å; S132-S329 VanDerWaalsContact CA-O 3.31Å; S132-S329 WeakPolarHBondContact CA-O 3.33Å; S132-S329 WeakPolarHBondContact CA-OG 3.24Å; S132-S329 WeakPolarHBondContact CB-OG 3.48Å; S132-S329 PolarHBondContact OG-OG 3.11Å; S132-D330 PolarHBondContact OG-O 2.76Å; S132-H331 PolarHBondContact O-CE1 3.34Å; S132-H331 VanDerWaalsContact O-CE1 3.3Å; S132-H331 PolarHBondContact OG-ND1 3.22Å
133F97.9Very high94.9Very high8 Ų839 Ų394%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-104.6136.1179.7-62.3-95.4000111.2A131 R135 A138 L159 V172 A254 F270 I328 S329 D330 H331A131-F133 HydrophobicContact CB-CE2 3.73Å; A131-F133 HydrophobicContact CB-CZ 4.07Å; F133-R135 PolarHBondContact O-N 3.24Å; F133-A138 HydrophobicContact CB-CB 4.19Å; F133-L159 HydrophobicContact CE1-CD1 3.86Å; F133-L159 HydrophobicContact CE1-CD2 4.43Å; F133-L159 HydrophobicContact CZ-CD1 4.48Å; F133-V172 HydrophobicContact CD1-CB 3.93Å; F133-V172 HydrophobicContact CD1-CG1 4.09Å; F133-V172 HydrophobicContact CD1-CG2 4.06Å; F133-V172 HydrophobicContact CE1-CB 4.39Å; F133-V172 HydrophobicContact CE1-CG2 4.02Å; F133-A254 HydrophobicContact CE1-CB 3.97Å; F133-A254 HydrophobicContact CZ-CB 3.78Å; F133-F270 HydrophobicContact CE1-CE1 4.5Å; F133-I328 HydrophobicContact CD2-CG2 3.97Å; F133-I328 HydrophobicContact CE2-CG1 4.4Å; F133-I328 HydrophobicContact CE2-CG2 4.11Å; F133-S329 PolarHBondContact N-O 3.19Å; F133-D330 VanDerWaalsContact O-CA 3.3Å; F133-D330 WeakPolarHBondContact O-CA 3.34Å; F133-H331 PolarHBondContact O-N 2.76Å
134D97.7Very high94.9Very high2 Ų238.2 Ų38.21%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-60.6128.9168.9172.866.5000110.1D136 S137 A138 V172 H331 G333D134-D136 PolarHBondContact O-N 3.45Å; D134-D136 PolarHBondContact OD2-N 3.44Å; D134-S137 WeakPolarHBondContact OD2-CB 3.43Å; D134-S137 PolarHBondContact OD2-N 2.91Å; D134-A138 WeakPolarHBondContact O-CB 3.39Å; D134-A138 PolarHBondContact O-N 3.22Å; D134-V172 WeakPolarHBondContact CB-O 3.32Å; D134-V172 PolarHBondContact N-O 3.11Å; D134-H331 WeakPolarHBondContact CA-O 3.48Å; D134-H331 PolarHBondContact N-CE1 2.79Å; D134-G333 WeakPolarHBondContact OD1-CA 3.45Å; D134-G333 PolarHBondContact OD1-N 3.44Å
135R96.1Very high94.9Very high111 Ų11130.3 Ų30.342%0.41917%0.173SC..Hα-helixtrans-60.2-45.5-174.7-71.1-178.3-165.3110.710.5112.2F133 N139 D330 H331F133-R135 PolarHBondContact O-N 3.24Å; R135-N139 WeakPolarHBondContact O-CB 3.48Å; R135-N139 PolarHBondContact O-N 3.41Å; R135-D330 HydrophobicContact CG-CB 3.93Å; R135-D330 IonicContact CZ-OD1 3.42Å; R135-D330 IonicContact CZ-OD2 3.74Å; R135-D330 IonicContact NE-OD1 3.32Å; R135-D330 PolarHBondContact NE-OD1 2.69Å; R135-D330 IonicContact NE-OD2 2.88Å; R135-D330 PolarHBondContact NE-OD2 3.28Å; R135-D330 IonicContact NH2-OD1 2.74Å; R135-D330 PolarHBondContact NH2-OD1 3Å; R135-D330 IonicContact NH2-OD2 3.71Å; R135-H331 WeakPolarHBondContact CG-O 3.42Å; R135-H331 PolarHBondContact N-O 2.75Å
136D96.4Very high94.6Very high66 Ų6629.1 Ų29.135%0.35316%0.163SC..Hα-helixtrans-73.3-42.5-173.9-67.8-34.8000111.2D134 N139 A140 Q332D134-D136 PolarHBondContact O-N 3.45Å; D134-D136 PolarHBondContact OD2-N 3.44Å; D136-N139 PolarHBondContact O-N 2.94Å; D136-A140 VanDerWaalsContact O-CB 3.28Å; D136-A140 WeakPolarHBondContact O-CB 3.46Å; D136-A140 PolarHBondContact O-N 2.78Å; D136-Q332 PolarHBondContact OD2-NE2 2.89Å
137S96.6Very high94.1Very high6 Ų634.7 Ų34.74%0.04219%0.187CC..Hα-helixtrans-64.2-46.3175.4-178.10000111.9D134 A140 F141 F174 I175D134-S137 WeakPolarHBondContact OD2-CB 3.43Å; D134-S137 PolarHBondContact OD2-N 2.91Å; S137-A140 PolarHBondContact O-N 2.99Å; S137-F141 PolarHBondContact O-N 3.07Å; S137-F174 WeakPolarHBondContact OG-CA 3.36Å; S137-I175 PolarHBondContact OG-N 3.46Å
138A95Very high93.6Very high9 Ų935.2 Ų35.27%0.07420%0.196CC..Hα-helixtrans-64-43.8177.900000110.9F133 D134 F141 Q142 F270F133-A138 HydrophobicContact CB-CB 4.19Å; D134-A138 WeakPolarHBondContact O-CB 3.39Å; D134-A138 PolarHBondContact O-N 3.22Å; A138-F141 PolarHBondContact O-N 2.96Å; A138-Q142 VanDerWaalsContact O-CG 3.27Å; A138-Q142 WeakPolarHBondContact O-CG 3.22Å; A138-Q142 PolarHBondContact O-N 2.99Å; A138-Q142 PolarHBondContact O-NE2 2.83Å; A138-F270 HydrophobicContact CB-CE2 3.94Å; A138-F270 HydrophobicContact CB-CZ 3.97Å
139N93Very high93.1Very high73 Ų7337.1 Ų37.139%0.3921%0.206SC..Hα-helixtrans-61.8-43.1176-173.147.1000112R135 D136 F141 Q142 L143R135-N139 WeakPolarHBondContact O-CB 3.48Å; R135-N139 PolarHBondContact O-N 3.41Å; D136-N139 PolarHBondContact O-N 2.94Å; N139-F141 VanDerWaalsContact C-N 3.27Å; N139-F141 PolarHBondContact O-N 3.43Å; N139-Q142 PolarHBondContact O-N 3.41Å; N139-L143 WeakPolarHBondContact O-CB 3.2Å; N139-L143 WeakPolarHBondContact O-CG 3.41Å; N139-L143 PolarHBondContact O-N 2.82Å
140A94.4Very high92.5Very high19 Ų1938.2 Ų38.216%0.15722%0.215CC..Hα-helixtrans-62.8-31.9178.500000113.4D136 S137 H144 T337 I341 R344D136-A140 VanDerWaalsContact O-CB 3.28Å; D136-A140 WeakPolarHBondContact O-CB 3.46Å; D136-A140 PolarHBondContact O-N 2.78Å; S137-A140 PolarHBondContact O-N 2.99Å; A140-H144 PolarHBondContact O-N 3.29Å; A140-T337 HydrophobicContact CB-CG2 3.61Å; A140-I341 HydrophobicContact CB-CD1 4.07Å; A140-R344 PolarHBondContact O-NH1 2.89Å; A140-R344 PolarHBondContact O-NH2 3.15Å; A140-R344 VanDerWaalsContact O-NH2 3.09Å
141F94.6Very high91.9Very high1 Ų137.9 Ų37.90%0.00421%0.212CC..Hα-helixtrans-73.1-47.9172.5-172.8-98.5000111.5S137 A138 N139 L143 H144 V145 R155 I175 E177 V214 T216 V256S137-F141 PolarHBondContact O-N 3.07Å; A138-F141 PolarHBondContact O-N 2.96Å; N139-F141 VanDerWaalsContact C-N 3.27Å; N139-F141 PolarHBondContact O-N 3.43Å; F141-L143 PolarHBondContact O-N 3.35Å; F141-H144 PolarHBondContact O-N 2.8Å; F141-V145 HydrophobicContact CD1-CG2 4.33Å; F141-V145 HydrophobicContact CE1-CG2 4.07Å; F141-V145 HydrophobicContact CZ-CG2 4.25Å; F141-V145 VanDerWaalsContact O-CG2 3.31Å; F141-V145 WeakPolarHBondContact O-CG2 3.4Å; F141-V145 PolarHBondContact O-N 3.14Å; F141-V145 VanDerWaalsContact O-N 3.16Å; F141-R155 HydrophobicContact CZ-CB 4.33Å; F141-I175 HydrophobicContact CB-CD1 3.77Å; F141-I175 HydrophobicContact CD2-CD1 4.46Å; F141-I175 HydrophobicContact CD2-CG2 4.24Å; F141-I175 HydrophobicContact CG-CD1 4.09Å; F141-E177 HydrophobicContact CD2-CG 4.28Å; F141-E177 HydrophobicContact CE2-CG 4.15Å; F141-V214 HydrophobicContact CD1-CG2 4.33Å; F141-V214 HydrophobicContact CE1-CG1 4.27Å; F141-V214 HydrophobicContact CE1-CG2 3.79Å; F141-V214 HydrophobicContact CE2-CG1 4.3Å; F141-V214 HydrophobicContact CZ-CG1 4.06Å; F141-V214 HydrophobicContact CZ-CG2 4.26Å; F141-T216 HydrophobicContact CE1-CG2 3.66Å; F141-T216 HydrophobicContact CZ-CG2 3.83Å; F141-V256 HydrophobicContact CD1-CG2 3.98Å; F141-V256 HydrophobicContact CE1-CB 4.31Å; F141-V256 HydrophobicContact CE1-CG2 3.82Å
142Q91.3Very high91.2Very high37 Ų3741 Ų4117%0.17324%0.237CC..Hα-helixtrans-58-49178.1-69.617599.700112.4A138 N139 H144 V145 A146 V256 V268 F270A138-Q142 VanDerWaalsContact O-CG 3.27Å; A138-Q142 WeakPolarHBondContact O-CG 3.22Å; A138-Q142 PolarHBondContact O-N 2.99Å; A138-Q142 PolarHBondContact O-NE2 2.83Å; N139-Q142 PolarHBondContact O-N 3.41Å; Q142-H144 VanDerWaalsContact C-N 3.32Å; Q142-H144 PolarHBondContact O-N 3.28Å; Q142-V145 PolarHBondContact O-N 3.25Å; Q142-A146 VanDerWaalsContact O-CB 3.32Å; Q142-A146 WeakPolarHBondContact O-CB 3.47Å; Q142-A146 PolarHBondContact O-N 3.48Å; Q142-V256 HydrophobicContact CG-CG1 4.24Å; Q142-V268 HydrophobicContact CB-CB 4.46Å; Q142-V268 HydrophobicContact CB-CG1 3.98Å; Q142-V268 HydrophobicContact CG-CB 4.39Å; Q142-V268 HydrophobicContact CG-CG1 3.62Å; Q142-V268 PolarHBondContact OE1-O 2.83Å; Q142-F270 HydrophobicContact CG-CD2 4.38Å; Q142-F270 HydrophobicContact CG-CE2 3.51Å; Q142-F270 HydrophobicContact CG-CZ 4.11Å
143L90.2Very high90.7Very high70 Ų7043.1 Ų43.137%0.36625%0.25SS..Hα-helixtrans-59.8-41.2180-72.5174.7000111.8N139 F141 V145 A146 E147N139-L143 WeakPolarHBondContact O-CB 3.2Å; N139-L143 WeakPolarHBondContact O-CG 3.41Å; N139-L143 PolarHBondContact O-N 2.82Å; F141-L143 PolarHBondContact O-N 3.35Å; L143-V145 PolarHBondContact O-N 3.46Å; L143-A146 PolarHBondContact O-N 3.36Å; L143-E147 VanDerWaalsContact O-CB 3.22Å; L143-E147 WeakPolarHBondContact O-CB 3.47Å; L143-E147 WeakPolarHBondContact O-CG 3.47Å; L143-E147 PolarHBondContact O-N 3.48Å
144H91.2Very high90.4Very high15 Ų1543.2 Ų43.27%0.06925%0.251CS..Iπ-helixtrans-63.9-45177.5177.551.5000112.1A140 F141 Q142 S148 L149 R344A140-H144 PolarHBondContact O-N 3.29Å; F141-H144 PolarHBondContact O-N 2.8Å; Q142-H144 VanDerWaalsContact C-N 3.32Å; Q142-H144 PolarHBondContact O-N 3.28Å; H144-S148 VanDerWaalsContact ND1-CB 3.32Å; H144-S148 WeakPolarHBondContact ND1-CB 3.17Å; H144-S148 PolarHBondContact ND1-OG 2.59Å; H144-S148 VanDerWaalsContact ND1-OG 3.08Å; H144-S148 WeakPolarHBondContact O-CA 3.41Å; H144-S148 WeakPolarHBondContact O-CB 3.27Å; H144-S148 PolarHBondContact O-N 3.18Å; H144-S148 PolarHBondContact O-OG 3.31Å; H144-L149 PolarHBondContact O-N 2.95Å; H144-R344 WeakPolarHBondContact NE2-CG 3.43Å
145V89Confident90.2Very high0 Ų044.3 Ų44.30%026%0.255CS..Iπ-helixtrans-66.7-41.5-179.4177.40000110.9F141 Q142 L143 L149 A150 F151 T216F141-V145 HydrophobicContact CD1-CG2 4.33Å; F141-V145 HydrophobicContact CE1-CG2 4.07Å; F141-V145 HydrophobicContact CZ-CG2 4.25Å; F141-V145 VanDerWaalsContact O-CG2 3.31Å; F141-V145 WeakPolarHBondContact O-CG2 3.4Å; F141-V145 PolarHBondContact O-N 3.14Å; F141-V145 VanDerWaalsContact O-N 3.16Å; Q142-V145 PolarHBondContact O-N 3.25Å; L143-V145 PolarHBondContact O-N 3.46Å; V145-L149 CarbonylContact O-C 3.5Å; V145-L149 WeakPolarHBondContact O-CB 3.44Å; V145-L149 PolarHBondContact O-N 2.74Å; V145-A150 PolarHBondContact O-N 2.78Å; V145-F151 HydrophobicContact CB-CZ 4.4Å; V145-F151 HydrophobicContact CG1-CD1 3.5Å; V145-F151 VanDerWaalsContact CG1-CD1 3.5Å; V145-F151 HydrophobicContact CG1-CD2 4.02Å; V145-F151 HydrophobicContact CG1-CE1 3.47Å; V145-F151 VanDerWaalsContact CG1-CE1 3.47Å; V145-F151 HydrophobicContact CG1-CE2 3.98Å; V145-F151 HydrophobicContact CG1-CG 3.79Å; V145-F151 HydrophobicContact CG1-CZ 3.7Å; V145-F151 PolarHBondContact O-N 2.81Å; V145-T216 HydrophobicContact CB-CG2 4.14Å; V145-T216 HydrophobicContact CG1-CG2 3.6Å; V145-T216 HydrophobicContact CG2-CG2 3.46Å; V145-T216 VanDerWaalsContact CG2-CG2 3.46Å
146A85.7Confident90.3Very high37 Ų3739 Ų3931%0.30624%0.235SC..Iπ-helixtrans-70.5-53.2179.100000112.1Q142 L143 A150 F151 V268Q142-A146 VanDerWaalsContact O-CB 3.32Å; Q142-A146 WeakPolarHBondContact O-CB 3.47Å; Q142-A146 PolarHBondContact O-N 3.48Å; L143-A146 PolarHBondContact O-N 3.36Å; A146-A150 VanDerWaalsContact O-CA 3.28Å; A146-A150 WeakPolarHBondContact O-CA 3.45Å; A146-A150 PolarHBondContact O-N 2.95Å; A146-F151 HydrophobicContact CB-CE2 3.91Å; A146-V268 HydrophobicContact CB-CG2 4.3Å
147E85.5Confident90.3Very high151 Ų15135.9 Ų35.971%0.70622%0.218SC*.Iπ-helixtrans-84.3-39.5-170.6-60.8-177.5171.100113.1L143L143-E147 VanDerWaalsContact O-CB 3.22Å; L143-E147 WeakPolarHBondContact O-CB 3.47Å; L143-E147 WeakPolarHBondContact O-CG 3.47Å; L143-E147 PolarHBondContact O-N 3.48Å
148S86.2Confident90.4Very high79 Ų7935.6 Ų35.655%0.55222%0.216SC*.Iπ-helixtrans-90.6-30-174.9-48.70000113H144H144-S148 VanDerWaalsContact ND1-CB 3.32Å; H144-S148 WeakPolarHBondContact ND1-CB 3.17Å; H144-S148 PolarHBondContact ND1-OG 2.59Å; H144-S148 VanDerWaalsContact ND1-OG 3.08Å; H144-S148 WeakPolarHBondContact O-CA 3.41Å; H144-S148 WeakPolarHBondContact O-CB 3.27Å; H144-S148 PolarHBondContact O-N 3.18Å; H144-S148 PolarHBondContact O-OG 3.31Å
149L85.1Confident90.6Very high39 Ų3935.2 Ų35.220%0.20421%0.213CC..Hα-helixtrans-115.7-15.1-175.5-59.8-175.9000114.2H144 V145 F151 A152 R155H144-L149 PolarHBondContact O-N 2.95Å; V145-L149 CarbonylContact O-C 3.5Å; V145-L149 WeakPolarHBondContact O-CB 3.44Å; V145-L149 PolarHBondContact O-N 2.74Å; L149-F151 PolarHBondContact O-N 2.88Å; L149-A152 VanDerWaalsContact O-CB 3.26Å; L149-A152 WeakPolarHBondContact O-CB 3.33Å; L149-A152 PolarHBondContact O-N 3.32Å; L149-R155 HydrophobicContact CD1-CG 3.38Å
150A83.7Confident90.8Very high68 Ų6831.7 Ų31.756%0.56219%0.194SC*.THydrogen-bonded Turntrans48.133.1-173.500000113.2V145 A146 A152V145-A150 PolarHBondContact O-N 2.78Å; A146-A150 VanDerWaalsContact O-CA 3.28Å; A146-A150 WeakPolarHBondContact O-CA 3.45Å; A146-A150 PolarHBondContact O-N 2.95Å; A150-A152 PolarHBondContact O-N 2.79Å
151F83.3Confident91Very high2 Ų230.8 Ų30.81%0.00919%0.187CC..THydrogen-bonded Turntrans53.522.8-173.3-65.7-99.7000114.8V145 A146 L149 Q217 A218 V219 V256 L258 V268V145-F151 HydrophobicContact CB-CZ 4.4Å; V145-F151 HydrophobicContact CG1-CD1 3.5Å; V145-F151 VanDerWaalsContact CG1-CD1 3.5Å; V145-F151 HydrophobicContact CG1-CD2 4.02Å; V145-F151 HydrophobicContact CG1-CE1 3.47Å; V145-F151 VanDerWaalsContact CG1-CE1 3.47Å; V145-F151 HydrophobicContact CG1-CE2 3.98Å; V145-F151 HydrophobicContact CG1-CG 3.79Å; V145-F151 HydrophobicContact CG1-CZ 3.7Å; V145-F151 PolarHBondContact O-N 2.81Å; A146-F151 HydrophobicContact CB-CE2 3.91Å; L149-F151 PolarHBondContact O-N 2.88Å; F151-Q217 WeakPolarHBondContact CD1-O 3.15Å; F151-A218 WeakPolarHBondContact O-CA 3.39Å; F151-A218 WeakPolarHBondContact O-CB 3.12Å; F151-V219 HydrophobicContact CB-CB 4.49Å; F151-V219 HydrophobicContact CB-CG2 3.61Å; F151-V219 HydrophobicContact CG-CG2 4.34Å; F151-V219 PolarHBondContact O-N 2.78Å; F151-V256 HydrophobicContact CE1-CG1 4.13Å; F151-V256 HydrophobicContact CZ-CG1 4.31Å; F151-L258 HydrophobicContact CD1-CB 4.3Å; F151-L258 HydrophobicContact CD2-CB 3.95Å; F151-L258 HydrophobicContact CD2-CD1 4.38Å; F151-L258 HydrophobicContact CD2-CD2 4.2Å; F151-L258 HydrophobicContact CD2-CG 4.42Å; F151-L258 HydrophobicContact CE1-CB 4.26Å; F151-L258 HydrophobicContact CE2-CB 3.94Å; F151-L258 HydrophobicContact CE2-CD1 3.96Å; F151-L258 HydrophobicContact CE2-CG 4.39Å; F151-L258 HydrophobicContact CG-CB 4.15Å; F151-L258 HydrophobicContact CZ-CB 4.1Å; F151-V268 HydrophobicContact CE2-CG2 3.92Å; F151-V268 HydrophobicContact CZ-CB 4.43Å; F151-V268 HydrophobicContact CZ-CG1 3.8Å; F151-V268 HydrophobicContact CZ-CG2 3.78Å
152A84.5Confident91.2Very high65 Ų6536.1 Ų36.154%0.53721%0.207SC..SBendtrans-76.8-23.8179.300000113.1L149 A150L149-A152 VanDerWaalsContact O-CB 3.26Å; L149-A152 WeakPolarHBondContact O-CB 3.33Å; L149-A152 PolarHBondContact O-N 3.32Å; A150-A152 PolarHBondContact O-N 2.79Å
153T88.2Confident91.5Very high47 Ų4736.2 Ų36.229%0.28821%0.21SC..SBendtrans-133.9141.417858.30000110.3
154K91.4Very high91.8Very high10 Ų1035.7 Ų35.74%0.04321%0.207CC..  trans-65.6143175.4-69.1-166.3177.1166.60112.1G182 T183 E184 D185 V187 T216 E235K154-G182 VanDerWaalsContact O-CA 3.32Å; K154-G182 WeakPolarHBondContact O-CA 3.35Å; K154-T183 PolarHBondContact N-O 3.19Å; K154-E184 WeakPolarHBondContact CE-O 3.28Å; K154-E184 WeakPolarHBondContact CG-O 3.26Å; K154-D185 WeakPolarHBondContact CE-O 3.33Å; K154-D185 PolarHBondContact NZ-O 3.27Å; K154-V187 HydrophobicContact CB-CB 3.86Å; K154-V187 HydrophobicContact CB-CG1 4.32Å; K154-T216 WeakPolarHBondContact CA-OG1 3.48Å; K154-T216 WeakPolarHBondContact CG-O 3.49Å; K154-E235 WeakPolarHBondContact CE-OE1 3.45Å; K154-E235 IonicContact NZ-OE1 2.61Å; K154-E235 PolarHBondContact NZ-OE1 2.93Å
155R93.9Very high92Very high26 Ų2638.4 Ų38.410%0.09823%0.232CC..  trans-128.7159.8165.8-68.1-16384.187-2.2110F141 L149 E177 Q180 F215 T216 N343F141-R155 HydrophobicContact CZ-CB 4.33Å; L149-R155 HydrophobicContact CD1-CG 3.38Å; R155-E177 IonicContact CZ-OE2 3.38Å; R155-E177 IonicContact NE-OE2 2.79Å; R155-E177 PolarHBondContact NE-OE2 2.99Å; R155-E177 IonicContact NH2-OE2 3.11Å; R155-E177 PolarHBondContact NH2-OE2 2.7Å; R155-E177 VanDerWaalsContact NH2-OE2 3.11Å; R155-Q180 VanDerWaalsContact CA-OE1 3.31Å; R155-F215 CarbonylContact O-C 3.5Å; R155-F215 WeakPolarHBondContact O-CA 3.38Å; R155-T216 HydrophobicContact CB-CG2 4.26Å; R155-T216 PolarHBondContact N-OG1 2.91Å; R155-T216 PolarHBondContact O-N 3.38Å; R155-N343 PolarHBondContact NH2-O 3.01Å
156A96.4Very high92.4Very high0 Ų045.6 Ų45.60%027%0.271CS..EExtended strand (participates in β ladder)trans-145.6158.1174.900000112Q180 V187 L189 L213 V214 F215A156-Q180 PolarHBondContact O-NE2 2.92Å; A156-Q180 PolarHBondContact O-OE1 3.2Å; A156-V187 HydrophobicContact CB-CG1 3.73Å; A156-V187 HydrophobicContact CB-CG2 4.06Å; A156-L189 HydrophobicContact CB-CD2 3.8Å; A156-L213 HydrophobicContact CB-CD1 4.28Å; A156-V214 CarbonylContact C-O 3.56Å; A156-V214 WeakPolarHBondContact CA-O 3.31Å; A156-V214 VanDerWaalsContact CB-O 3.28Å; A156-V214 WeakPolarHBondContact CB-O 3.39Å; A156-F215 HydrophobicContact CB-CB 3.9Å
157G97.5Very high92.9Very high0 Ų047.1 Ų47.10%028%0.276CS..EExtended strand (participates in β ladder)trans-150.6152.4178.100000111.3Y176 L213 V214G157-Y176 CarbonylContact C-O 3.52Å; G157-Y176 WeakPolarHBondContact CA-O 3.48Å; G157-L213 CarbonylContact O-C 3.54Å; G157-L213 WeakPolarHBondContact O-CA 3.47Å; G157-L213 WeakPolarHBondContact O-CD1 3.46Å; G157-V214 PolarHBondContact N-O 3.24Å; G157-V214 WeakPolarHBondContact O-CG1 3.49Å; G157-V214 PolarHBondContact O-N 2.93Å
158F98.5Very high93.5Very high0 Ų044 Ų440%026%0.261CS..EExtended strand (participates in β ladder)trans-83.8132.8171.3-70.1-63.6000110Y160 I175 Y176 P178 L189 R191 R210 L213 L242F158-Y160 HydrophobicContact CB-CD2 4.14Å; F158-Y160 HydrophobicContact CB-CE2 3.6Å; F158-I175 WeakPolarHBondContact O-CA 3.48Å; F158-Y176 HydrophobicContact CB-CD1 4.41Å; F158-Y176 AromaticContact CD2-CD1 3.97Å; F158-Y176 HydrophobicContact CD2-CD1 3.97Å; F158-Y176 HydrophobicContact CD2-CE1 4.26Å; F158-Y176 PolarHBondContact N-O 3.37Å; F158-Y176 PolarHBondContact O-N 2.86Å; F158-P178 HydrophobicContact CD2-CG 4.15Å; F158-P178 HydrophobicContact CE2-CG 3.97Å; F158-L189 HydrophobicContact CE1-CD1 4.42Å; F158-L189 HydrophobicContact CE2-CD1 4.13Å; F158-L189 HydrophobicContact CZ-CD1 3.71Å; F158-R191 VanDerWaalsContact CE2-CZ 3.45Å; F158-R191 VanDerWaalsContact CZ-CZ 3.41Å; F158-R191 VanDerWaalsContact CZ-NH1 3.3Å; F158-R210 HydrophobicContact CB-CG 4.33Å; F158-R210 HydrophobicContact CD1-CG 4.41Å; F158-L213 HydrophobicContact CD1-CD1 4.45Å; F158-L213 HydrophobicContact CE1-CD1 4.4Å; F158-L242 HydrophobicContact CE1-CD1 4.05Å; F158-L242 HydrophobicContact CE1-CD2 3.89Å; F158-L242 HydrophobicContact CE1-CG 4.48Å; F158-L242 HydrophobicContact CZ-CD1 4.46Å; F158-L242 HydrophobicContact CZ-CD2 4.05Å
159L98.6Very high94Very high0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-87125.6177.3-55.4179.6000108.8F133 V172 I175 V211 G212 L213 V214 A254F133-L159 HydrophobicContact CE1-CD1 3.86Å; F133-L159 HydrophobicContact CE1-CD2 4.43Å; F133-L159 HydrophobicContact CZ-CD1 4.48Å; L159-V172 HydrophobicContact CB-CG1 3.88Å; L159-V172 HydrophobicContact CB-CG2 4.03Å; L159-V172 HydrophobicContact CD1-CG2 4.19Å; L159-V172 HydrophobicContact CD2-CG1 3.92Å; L159-V172 HydrophobicContact CG-CG1 4.37Å; L159-I175 HydrophobicContact CD2-CD1 4.23Å; L159-I175 HydrophobicContact CD2-CG1 3.75Å; L159-V211 HydrophobicContact CB-CG2 4.18Å; L159-V211 WeakPolarHBondContact O-CG2 3.18Å; L159-V211 PolarHBondContact O-N 2.98Å; L159-G212 PolarHBondContact N-O 2.91Å; L159-G212 PolarHBondContact O-N 3.18Å; L159-L213 WeakPolarHBondContact CD1-O 3.44Å; L159-V214 HydrophobicContact CD2-CB 3.76Å; L159-V214 HydrophobicContact CD2-CG1 3.66Å; L159-V214 HydrophobicContact CG-CB 4.32Å; L159-V214 HydrophobicContact CG-CG1 4.49Å; L159-A254 HydrophobicContact CD1-CB 4.14Å
160Y98.7Very high94.7Very high0 Ų041.6 Ų41.60%024%0.239CC..EExtended strand (participates in β ladder)trans-119.6141.1177.4-78.5-97.5000110.9F158 V172 D173 F174 Y176 V199 D200 A203 R209 R210F158-Y160 HydrophobicContact CB-CD2 4.14Å; F158-Y160 HydrophobicContact CB-CE2 3.6Å; Y160-V172 CarbonylContact O-C 3.58Å; Y160-D173 PolarHBondContact O-N 3.01Å; Y160-F174 HydrophobicContact CD1-CE2 4.26Å; Y160-F174 AromaticContact CD1-CZ 3.99Å; Y160-F174 HydrophobicContact CD1-CZ 3.99Å; Y160-F174 HydrophobicContact CD2-CD2 4.39Å; Y160-F174 AromaticContact CD2-CE2 3.73Å; Y160-F174 HydrophobicContact CD2-CE2 3.73Å; Y160-F174 HydrophobicContact CD2-CZ 4.28Å; Y160-F174 HydrophobicContact CG-CD2 4.33Å; Y160-F174 HydrophobicContact CG-CE1 4.44Å; Y160-F174 AromaticContact CG-CE2 3.52Å; Y160-F174 HydrophobicContact CG-CE2 3.52Å; Y160-F174 AromaticContact CG-CZ 3.6Å; Y160-F174 HydrophobicContact CG-CZ 3.6Å; Y160-F174 PolarHBondContact N-O 3.48Å; Y160-F174 PolarHBondContact O-N 3.38Å; Y160-Y176 HydrophobicContact CE2-CD1 4.32Å; Y160-V199 HydrophobicContact CD2-CG1 4.28Å; Y160-V199 HydrophobicContact CE1-CG1 3.94Å; Y160-V199 HydrophobicContact CE2-CG1 3.62Å; Y160-V199 VanDerWaalsContact CZ-CG1 3.43Å; Y160-D200 VanDerWaalsContact CE1-OD1 3.26Å; Y160-D200 WeakPolarHBondContact CE1-OD1 3.32Å; Y160-D200 PolarHBondContact OH-OD1 2.67Å; Y160-A203 HydrophobicContact CD1-CB 3.49Å; Y160-A203 VanDerWaalsContact CD1-CB 3.49Å; Y160-A203 HydrophobicContact CE1-CB 3.87Å; Y160-R209 WeakPolarHBondContact CA-O 3.33Å; Y160-R209 VanDerWaalsContact CD1-C 3.48Å; Y160-R210 HydrophobicContact CD1-CB 4.11Å; Y160-R210 HydrophobicContact CE1-CB 3.64Å; Y160-R210 HydrophobicContact CE1-CG 4.34Å; Y160-R210 HydrophobicContact CE2-CB 4.38Å; Y160-R210 HydrophobicContact CE2-CG 4.21Å
161G98.3Very high95.4Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans166.5-137.1178.200000111F171 M208 R209G161-F171 CarbonylContact C-O 3.56Å; G161-F171 WeakPolarHBondContact CA-O 3.44Å; G161-M208 CarbonylContact O-C 3.46Å; G161-M208 WeakPolarHBondContact O-CA 3.17Å; G161-M208 WeakPolarHBondContact O-CB 3.39Å; G161-R209 PolarHBondContact N-O 3.44Å; G161-R209 PolarHBondContact O-N 2.91Å
162R97.7Very high96.1Very high112 Ų11240.5 Ų40.542%0.42322%0.222SC..EExtended strand (participates in β ladder)trans-132.6154-169.1-63.9172.1-64.5118.74.6111.5V170 F171 D173 G207 M208R162-V170 CarbonylContact O-C 3.57Å; R162-V170 WeakPolarHBondContact O-CA 3.2Å; R162-F171 PolarHBondContact N-O 3.39Å; R162-F171 PolarHBondContact O-N 2.98Å; R162-D173 IonicContact NE-OD2 3.81Å; R162-G207 WeakPolarHBondContact CG-O 3.18Å; R162-M208 HydrophobicContact CG-CG 4.12Å
163V98Very high96.8Very high40 Ų4037.5 Ų37.524%0.24220%0.197CC..EExtended strand (participates in β ladder)trans-111.1123.5169-171.70000106.8A165 E169 V170 V211 I248 E250V163-A165 PolarHBondContact O-N 2.81Å; V163-E169 WeakPolarHBondContact CA-O 3.44Å; V163-V170 HydrophobicContact CG1-CG2 4.45Å; V163-V170 HydrophobicContact CG2-CG2 4.22Å; V163-V211 HydrophobicContact CG2-CG1 3.9Å; V163-I248 HydrophobicContact CG2-CD1 4.1Å; V163-E250 HydrophobicContact CG1-CB 3.92Å; V163-E250 HydrophobicContact CG1-CG 3.76Å
164D97.4Very high97.2Very high59 Ų5935.5 Ų35.532%0.31618%0.184SC..  trans-73122.9172.9-175.4-83.5000109.4D166 T167 K168 E169 F171D164-D166 VanDerWaalsContact C-N 3.28Å; D164-D166 PolarHBondContact O-N 2.86Å; D164-D166 PolarHBondContact OD1-N 2.88Å; D164-D166 VanDerWaalsContact OD1-N 3.13Å; D164-T167 WeakPolarHBondContact CB-OG1 3.24Å; D164-T167 WeakPolarHBondContact OD1-CB 3.18Å; D164-T167 PolarHBondContact OD1-N 2.81Å; D164-T167 PolarHBondContact OD1-OG1 2.95Å; D164-K168 VanDerWaalsContact O-CA 3.3Å; D164-K168 WeakPolarHBondContact O-CA 3.4Å; D164-K168 PolarHBondContact O-N 3.39Å; D164-E169 PolarHBondContact N-O 3.27Å; D164-F171 HydrophobicContact CB-CE2 4.22Å
165A95Very high97.6Very high71 Ų7135.3 Ų35.359%0.58718%0.184SC*.THydrogen-bonded Turntrans-68.5-28.9-169.800000113V163 K168V163-A165 PolarHBondContact O-N 2.81Å; A165-K168 WeakPolarHBondContact O-CE 3.49Å; A165-K168 PolarHBondContact O-NZ 3.31Å
166D96.3Very high97.8Very high151 Ų15134 Ų3481%0.80718%0.179SC*.THydrogen-bonded Turntrans-92.1-46.9-173.3-63.9-38.5000111.2D164D164-D166 VanDerWaalsContact C-N 3.28Å; D164-D166 PolarHBondContact O-N 2.86Å; D164-D166 PolarHBondContact OD1-N 2.88Å; D164-D166 VanDerWaalsContact OD1-N 3.13Å
167T96.9Very high97.8Very high69 Ų6934.1 Ų34.142%0.42318%0.179SC..THydrogen-bonded Turntrans-88.1-17.9-176.462.10000113.5A129 D164 E169A129-T167 WeakPolarHBondContact CB-O 3.07Å; D164-T167 WeakPolarHBondContact CB-OG1 3.24Å; D164-T167 WeakPolarHBondContact OD1-CB 3.18Å; D164-T167 PolarHBondContact OD1-N 2.81Å; D164-T167 PolarHBondContact OD1-OG1 2.95Å; T167-E169 PolarHBondContact O-N 2.78Å; T167-E169 PolarHBondContact OG1-N 3.09Å
168K97.3Very high97.7Very high87 Ų8734.1 Ų34.138%0.37818%0.179SC..  trans61.721.5-172.9-48.5-54-172.8-172.50113.7A129 D164 A165 E250A129-K168 HydrophobicContact CB-CB 4.25Å; A129-K168 PolarHBondContact N-O 2.87Å; D164-K168 VanDerWaalsContact O-CA 3.3Å; D164-K168 WeakPolarHBondContact O-CA 3.4Å; D164-K168 PolarHBondContact O-N 3.39Å; A165-K168 WeakPolarHBondContact O-CE 3.49Å; A165-K168 PolarHBondContact O-NZ 3.31Å; K168-E250 HydrophobicContact CB-CG 4.28Å; K168-E250 IonicContact NZ-OE1 3.11Å
169E98Very high97.6Very high67 Ų6735.6 Ų35.631%0.31319%0.189SC..EExtended strand (participates in β ladder)trans-80138.5172.5-64.9-174.116300110.4A129 A130 V163 D164 T167 F171A129-E169 HydrophobicContact CB-CG 4.23Å; A130-E169 HydrophobicContact CB-CG 4.1Å; A130-E169 WeakPolarHBondContact O-CA 3.45Å; V163-E169 WeakPolarHBondContact CA-O 3.44Å; D164-E169 PolarHBondContact N-O 3.27Å; T167-E169 PolarHBondContact O-N 2.78Å; T167-E169 PolarHBondContact OG1-N 3.09Å; E169-F171 HydrophobicContact CB-CE2 3.83Å; E169-F171 HydrophobicContact CB-CZ 4.4Å
170V98.6Very high97.4Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-99.6124174.9174.30000108.6C128 A130 A131 S132 R162 V163 V172 V211 E250 V252C128-V170 VanDerWaalsContact SG-CG2 3.53Å; A130-V170 PolarHBondContact O-N 3.46Å; A131-V170 CarbonylContact C-O 3.36Å; A131-V170 WeakPolarHBondContact CA-O 3.43Å; S132-V170 PolarHBondContact N-O 3.27Å; R162-V170 CarbonylContact O-C 3.57Å; R162-V170 WeakPolarHBondContact O-CA 3.2Å; V163-V170 HydrophobicContact CG1-CG2 4.45Å; V163-V170 HydrophobicContact CG2-CG2 4.22Å; V170-V172 HydrophobicContact CG1-CG2 4.16Å; V170-V211 HydrophobicContact CG1-CB 3.7Å; V170-V211 HydrophobicContact CG1-CG1 4.26Å; V170-V211 HydrophobicContact CG1-CG2 3.64Å; V170-E250 HydrophobicContact CG2-CB 3.88Å; V170-E250 VanDerWaalsContact CG2-O 3.3Å; V170-E250 WeakPolarHBondContact CG2-O 2.93Å; V170-V252 HydrophobicContact CB-CG2 4.13Å; V170-V252 HydrophobicContact CG1-CG2 4.3Å; V170-V252 HydrophobicContact CG2-CG2 4.06Å
171F98.5Very high97.2Very high44 Ų4440.8 Ų40.819%0.19322%0.219CC..EExtended strand (participates in β ladder)trans-103122.5171.7-67.1-95.5000108.1S132 G161 R162 D164 E169 H331S132-F171 CarbonylContact O-C 3.54Å; S132-F171 WeakPolarHBondContact O-CA 3.42Å; G161-F171 CarbonylContact C-O 3.56Å; G161-F171 WeakPolarHBondContact CA-O 3.44Å; R162-F171 PolarHBondContact N-O 3.39Å; R162-F171 PolarHBondContact O-N 2.98Å; D164-F171 HydrophobicContact CB-CE2 4.22Å; E169-F171 HydrophobicContact CB-CE2 3.83Å; E169-F171 HydrophobicContact CB-CZ 4.4Å; F171-H331 AromaticContact CD1-CE1 3.98Å; F171-H331 AromaticContact CD1-ND1 3.87Å
172V98.5Very high96.8Very high2 Ų242 Ų421%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-102.3111.3175.9177.60000108S132 F133 D134 L159 Y160 V170 V211 H331S132-V172 PolarHBondContact O-N 3.24Å; F133-V172 HydrophobicContact CD1-CB 3.93Å; F133-V172 HydrophobicContact CD1-CG1 4.09Å; F133-V172 HydrophobicContact CD1-CG2 4.06Å; F133-V172 HydrophobicContact CE1-CB 4.39Å; F133-V172 HydrophobicContact CE1-CG2 4.02Å; D134-V172 WeakPolarHBondContact CB-O 3.32Å; D134-V172 PolarHBondContact N-O 3.11Å; L159-V172 HydrophobicContact CB-CG1 3.88Å; L159-V172 HydrophobicContact CB-CG2 4.03Å; L159-V172 HydrophobicContact CD1-CG2 4.19Å; L159-V172 HydrophobicContact CD2-CG1 3.92Å; L159-V172 HydrophobicContact CG-CG1 4.37Å; Y160-V172 CarbonylContact O-C 3.58Å; V170-V172 HydrophobicContact CG1-CG2 4.16Å; V172-V211 HydrophobicContact CG2-CG2 4.04Å; V172-H331 PolarHBondContact O-CE1 2.83Å; V172-H331 VanDerWaalsContact O-CE1 3.25Å
173D98.3Very high96.5Very high3 Ų340.2 Ų40.22%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-96.2-25.7-175.4-71-79.2000112.4Y160 R162 M208 H331 P334Y160-D173 PolarHBondContact O-N 3.01Å; R162-D173 IonicContact NE-OD2 3.81Å; D173-M208 HydrophobicContact CB-CE 3.53Å; D173-M208 HydrophobicContact CB-SD 3.76Å; D173-M208 VanDerWaalsContact CG-CE 3.44Å; D173-M208 WeakPolarHBondContact OD2-CE 3.41Å; D173-H331 IonicContact OD1-NE2 3.29Å; D173-P334 WeakPolarHBondContact OD1-CD 3.47Å
174F98.3Very high95.8Very high5 Ų543.2 Ų43.22%0.02224%0.244CC..EExtended strand (participates in β ladder)trans-156.4163.8173.265.2-91.9000113S137 Y160 A203 L206 M208 L335 F372S137-F174 WeakPolarHBondContact OG-CA 3.36Å; Y160-F174 HydrophobicContact CD1-CE2 4.26Å; Y160-F174 AromaticContact CD1-CZ 3.99Å; Y160-F174 HydrophobicContact CD1-CZ 3.99Å; Y160-F174 HydrophobicContact CD2-CD2 4.39Å; Y160-F174 AromaticContact CD2-CE2 3.73Å; Y160-F174 HydrophobicContact CD2-CE2 3.73Å; Y160-F174 HydrophobicContact CD2-CZ 4.28Å; Y160-F174 HydrophobicContact CG-CD2 4.33Å; Y160-F174 HydrophobicContact CG-CE1 4.44Å; Y160-F174 AromaticContact CG-CE2 3.52Å; Y160-F174 HydrophobicContact CG-CE2 3.52Å; Y160-F174 AromaticContact CG-CZ 3.6Å; Y160-F174 HydrophobicContact CG-CZ 3.6Å; Y160-F174 PolarHBondContact N-O 3.48Å; Y160-F174 PolarHBondContact O-N 3.38Å; F174-A203 HydrophobicContact CZ-CB 4.07Å; F174-L206 HydrophobicContact CE1-CD1 4.45Å; F174-M208 HydrophobicContact CD1-SD 3.94Å; F174-M208 HydrophobicContact CE1-SD 3.63Å; F174-L335 HydrophobicContact CD1-CD1 3.81Å; F174-L335 HydrophobicContact CE1-CD1 4.41Å; F174-F372 HydrophobicContact CB-CB 4.15Å; F174-F372 HydrophobicContact CB-CD1 4.37Å; F174-F372 HydrophobicContact CB-CG 4.32Å; F174-F372 HydrophobicContact CD1-CB 4.24Å; F174-F372 HydrophobicContact CD1-CD2 4.41Å; F174-F372 HydrophobicContact CD1-CG 4.27Å; F174-F372 HydrophobicContact CD2-CB 4.06Å; F174-F372 AromaticContact CD2-CD1 3.36Å; F174-F372 HydrophobicContact CD2-CD1 3.36Å; F174-F372 AromaticContact CD2-CD2 3.64Å; F174-F372 HydrophobicContact CD2-CD2 3.64Å; F174-F372 AromaticContact CD2-CE1 3.65Å; F174-F372 HydrophobicContact CD2-CE1 3.65Å; F174-F372 AromaticContact CD2-CE2 3.91Å; F174-F372 HydrophobicContact CD2-CE2 3.91Å; F174-F372 AromaticContact CD2-CG 3.36Å; F174-F372 HydrophobicContact CD2-CG 3.36Å; F174-F372 AromaticContact CD2-CZ 3.91Å; F174-F372 HydrophobicContact CD2-CZ 3.91Å; F174-F372 HydrophobicContact CE1-CD2 4.1Å; F174-F372 HydrophobicContact CE1-CG 4.42Å; F174-F372 AromaticContact CE2-CD1 3.8Å; F174-F372 HydrophobicContact CE2-CD1 3.8Å; F174-F372 AromaticContact CE2-CD2 3.28Å; F174-F372 HydrophobicContact CE2-CD2 3.28Å; F174-F372 AromaticContact CE2-CE1 3.76Å; F174-F372 HydrophobicContact CE2-CE1 3.76Å; F174-F372 AromaticContact CE2-CE2 3.24Å; F174-F372 HydrophobicContact CE2-CE2 3.24Å; F174-F372 AromaticContact CE2-CG 3.57Å; F174-F372 HydrophobicContact CE2-CG 3.57Å; F174-F372 AromaticContact CE2-CZ 3.5Å; F174-F372 HydrophobicContact CE2-CZ 3.5Å; F174-F372 VanDerWaalsContact CE2-CZ 3.5Å; F174-F372 HydrophobicContact CG-CB 3.9Å; F174-F372 HydrophobicContact CG-CD1 4.02Å; F174-F372 HydrophobicContact CG-CD2 4.19Å; F174-F372 AromaticContact CG-CG 3.74Å; F174-F372 HydrophobicContact CG-CG 3.74Å; F174-F372 AromaticContact CZ-CD2 3.52Å; F174-F372 HydrophobicContact CZ-CD2 3.52Å; F174-F372 AromaticContact CZ-CE2 3.71Å; F174-F372 HydrophobicContact CZ-CE2 3.71Å; F174-F372 HydrophobicContact CZ-CG 4.09Å; F174-F372 HydrophobicContact CZ-CZ 4.39Å
175I98.3Very high95.3Very high5 Ų544.6 Ų44.63%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-117121.3177.5-58.3169.8000109S137 F141 F158 L159 E177 V214 H373S137-I175 PolarHBondContact OG-N 3.46Å; F141-I175 HydrophobicContact CB-CD1 3.77Å; F141-I175 HydrophobicContact CD2-CD1 4.46Å; F141-I175 HydrophobicContact CD2-CG2 4.24Å; F141-I175 HydrophobicContact CG-CD1 4.09Å; F158-I175 WeakPolarHBondContact O-CA 3.48Å; L159-I175 HydrophobicContact CD2-CD1 4.23Å; L159-I175 HydrophobicContact CD2-CG1 3.75Å; I175-E177 HydrophobicContact CG2-CG 4.38Å; I175-V214 HydrophobicContact CD1-CG1 4.34Å; I175-V214 HydrophobicContact CG2-CG1 3.9Å; I175-H373 PolarHBondContact O-CE1 2.69Å; I175-H373 VanDerWaalsContact O-CE1 3.24Å
176Y98.1Very high95Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-93.1122.6169.2164.9-120.8000109.5G157 F158 Y160 P178 E195 E196 V199 E342 F372 L376G157-Y176 CarbonylContact C-O 3.52Å; G157-Y176 WeakPolarHBondContact CA-O 3.48Å; F158-Y176 HydrophobicContact CB-CD1 4.41Å; F158-Y176 AromaticContact CD2-CD1 3.97Å; F158-Y176 HydrophobicContact CD2-CD1 3.97Å; F158-Y176 HydrophobicContact CD2-CE1 4.26Å; F158-Y176 PolarHBondContact N-O 3.37Å; F158-Y176 PolarHBondContact O-N 2.86Å; Y160-Y176 HydrophobicContact CE2-CD1 4.32Å; Y176-P178 HydrophobicContact CE1-CB 3.85Å; Y176-P178 VanDerWaalsContact O-CD 3.24Å; Y176-P178 WeakPolarHBondContact O-CD 3.3Å; Y176-E195 HydrophobicContact CE2-CG 4.37Å; Y176-E195 PolarHBondContact OH-OE1 3.37Å; Y176-E196 HydrophobicContact CE1-CG 3.83Å; Y176-V199 HydrophobicContact CD1-CB 4.48Å; Y176-V199 HydrophobicContact CD1-CG1 4.05Å; Y176-V199 HydrophobicContact CD1-CG2 4.07Å; Y176-V199 HydrophobicContact CD2-CG2 3.75Å; Y176-V199 HydrophobicContact CE1-CG2 4.09Å; Y176-V199 HydrophobicContact CE2-CG2 3.78Å; Y176-V199 HydrophobicContact CG-CG1 3.95Å; Y176-V199 HydrophobicContact CG-CG2 3.91Å; Y176-E342 WeakPolarHBondContact CD2-OE1 3.08Å; Y176-F372 HydrophobicContact CD2-CE1 4.38Å; Y176-F372 HydrophobicContact CD2-CZ 4.22Å; Y176-F372 HydrophobicContact CG-CZ 4.37Å; Y176-L376 HydrophobicContact CD2-CD2 4.09Å; Y176-L376 HydrophobicContact CE2-CD2 4.09Å
177E96.8Very high94.9Very high1 Ų136.6 Ų36.61%0.00520%0.2CC..  trans-99.198.6177.1-73.6-173.7-114.300109.8F141 R155 I175 N343 R344F141-E177 HydrophobicContact CD2-CG 4.28Å; F141-E177 HydrophobicContact CE2-CG 4.15Å; R155-E177 IonicContact CZ-OE2 3.38Å; R155-E177 IonicContact NE-OE2 2.79Å; R155-E177 PolarHBondContact NE-OE2 2.99Å; R155-E177 IonicContact NH2-OE2 3.11Å; R155-E177 PolarHBondContact NH2-OE2 2.7Å; R155-E177 VanDerWaalsContact NH2-OE2 3.11Å; I175-E177 HydrophobicContact CG2-CG 4.38Å; E177-N343 PolarHBondContact O-ND2 3.34Å; E177-R344 IonicContact OE1-CZ 3.14Å; E177-R344 IonicContact OE1-NE 2.79Å; E177-R344 PolarHBondContact OE1-NE 3.48Å; E177-R344 IonicContact OE1-NH2 2.66Å; E177-R344 PolarHBondContact OE1-NH2 3.39Å
178P96.4Very high94.8Very high0 Ų038.5 Ų38.50%020%0.204CC..  trans-64161.5178.630.3-37.8000111.2F158 Y176 Q180 L189F158-P178 HydrophobicContact CD2-CG 4.15Å; F158-P178 HydrophobicContact CE2-CG 3.97Å; Y176-P178 HydrophobicContact CE1-CB 3.85Å; Y176-P178 VanDerWaalsContact O-CD 3.24Å; Y176-P178 WeakPolarHBondContact O-CD 3.3Å; P178-Q180 WeakPolarHBondContact O-CG 3.38Å; P178-Q180 PolarHBondContact O-N 2.79Å; P178-Q180 PolarHBondContact O-NE2 2.97Å; P178-L189 HydrophobicContact CG-CB 4.46Å; P178-L189 HydrophobicContact CG-CD1 4.5Å; P178-L189 HydrophobicContact CG-CD2 3.9Å
179P95.3Very high94.7Very high31 Ų3135.3 Ų35.320%0.20119%0.191CC..SBendtrans-52.2132.1168.8-24.334.2000109.6M190 N343P179-M190 HydrophobicContact CB-CB 4.11Å; P179-M190 WeakPolarHBondContact O-CA 3.44Å; P179-M190 VanDerWaalsContact O-CB 3.31Å; P179-M190 WeakPolarHBondContact O-CB 3.44Å; P179-M190 PolarHBondContact O-N 3.25Å; P179-N343 WeakPolarHBondContact CD-ND2 3.18Å
180Q95.3Very high94.5Very high30 Ų3036.8 Ų36.814%0.1420%0.199CC..EExtended strand (participates in β ladder)trans-156.6156.7-168.963.6-169.9-79.400113R155 A156 P178 V187 Q188 L189R155-Q180 VanDerWaalsContact CA-OE1 3.31Å; A156-Q180 PolarHBondContact O-NE2 2.92Å; A156-Q180 PolarHBondContact O-OE1 3.2Å; P178-Q180 WeakPolarHBondContact O-CG 3.38Å; P178-Q180 PolarHBondContact O-N 2.79Å; P178-Q180 PolarHBondContact O-NE2 2.97Å; Q180-V187 HydrophobicContact CB-CG2 4.26Å; Q180-V187 VanDerWaalsContact OE1-CG2 3.32Å; Q180-Q188 CarbonylContact C-O 3.48Å; Q180-Q188 WeakPolarHBondContact CA-O 3.31Å; Q180-Q188 WeakPolarHBondContact CB-O 3.34Å; Q180-L189 HydrophobicContact CB-CD2 4.27Å
181V93.7Very high94.3Very high80 Ų8040.7 Ų40.749%0.48521%0.214SC..EExtended strand (participates in β ladder)trans-125.1118.5173.1-178.80000108.7Q188 M190V181-Q188 PolarHBondContact N-O 2.92Å; V181-Q188 PolarHBondContact O-N 3.29Å; V181-M190 HydrophobicContact CG2-SD 3.79Å
182G91.1Very high94.1Very high25 Ų2541.6 Ų41.626%0.25822%0.221SC..EExtended strand (participates in β ladder)trans-103.9141.7178.700000112.8K154 V186K154-G182 VanDerWaalsContact O-CA 3.32Å; K154-G182 WeakPolarHBondContact O-CA 3.35Å; G182-V186 CarbonylContact C-O 3.5Å; G182-V186 WeakPolarHBondContact CA-O 3.19Å
183T89.8Confident93.9Very high74 Ų7445.4 Ų45.445%0.45425%0.253SS..  trans-117.4-176.4160.768.70000109K154 D185 V186K154-T183 PolarHBondContact N-O 3.19Å; T183-D185 PolarHBondContact O-N 2.82Å; T183-D185 PolarHBondContact OG1-N 2.98Å; T183-V186 PolarHBondContact N-O 3.37Å; T183-V186 PolarHBondContact OG1-N 3.22Å; T183-V186 VanDerWaalsContact OG1-N 3.11Å; T183-V186 PolarHBondContact OG1-O 3.38Å
184E84.8Confident93.7Very high104 Ų10451.7 Ų51.749%0.48628%0.282SS..SBendtrans-58.4-37173.7-172.4177.7174.100112.2K154 A218K154-E184 WeakPolarHBondContact CE-O 3.28Å; K154-E184 WeakPolarHBondContact CG-O 3.26Å; E184-A218 HydrophobicContact CB-CB 4.49Å; E184-A218 HydrophobicContact CG-CB 3.78Å; E184-A218 WeakPolarHBondContact O-CB 3.26Å
185D85.5Confident93.6Very high88 Ų8853.2 Ų53.247%0.47129%0.289SS..SBendtrans-105.5-22.9-171.7-67.9-51.3000114.7K154 T183K154-D185 WeakPolarHBondContact CE-O 3.33Å; K154-D185 PolarHBondContact NZ-O 3.27Å; T183-D185 PolarHBondContact O-N 2.82Å; T183-D185 PolarHBondContact OG1-N 2.98Å
186V89.8Confident93.5Very high51 Ų5153.9 Ų53.931%0.30929%0.292SS..  trans-138139.9-169.1-177.40000110.7G182 T183G182-V186 CarbonylContact C-O 3.5Å; G182-V186 WeakPolarHBondContact CA-O 3.19Å; T183-V186 PolarHBondContact N-O 3.37Å; T183-V186 PolarHBondContact OG1-N 3.22Å; T183-V186 VanDerWaalsContact OG1-N 3.11Å; T183-V186 PolarHBondContact OG1-O 3.38Å
187V93.4Very high93.5Very high3 Ų355.9 Ų55.92%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-116.4119.2164.658.10000109.5K154 A156 Q180 L189 Q238K154-V187 HydrophobicContact CB-CB 3.86Å; K154-V187 HydrophobicContact CB-CG1 4.32Å; A156-V187 HydrophobicContact CB-CG1 3.73Å; A156-V187 HydrophobicContact CB-CG2 4.06Å; Q180-V187 HydrophobicContact CB-CG2 4.26Å; Q180-V187 VanDerWaalsContact OE1-CG2 3.32Å; V187-L189 HydrophobicContact CG2-CD2 4.23Å; V187-Q238 PolarHBondContact O-NE2 3.38Å
188Q94.2Very high93.5Very high108 Ų10857.7 Ų57.751%0.50532%0.316SS..EExtended strand (participates in β ladder)trans-96.1113.8175.4-176.9176.6-1.800109.6Q180 V181 M190Q180-Q188 CarbonylContact C-O 3.48Å; Q180-Q188 WeakPolarHBondContact CA-O 3.31Å; Q180-Q188 WeakPolarHBondContact CB-O 3.34Å; V181-Q188 PolarHBondContact N-O 2.92Å; V181-Q188 PolarHBondContact O-N 3.29Å; Q188-M190 PolarHBondContact O-N 2.86Å
189L95.6Very high93.6Very high20 Ų2057.7 Ų57.711%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-77.3118172-49.8-177.1000109.8A156 F158 P178 Q180 V187 R191 L242A156-L189 HydrophobicContact CB-CD2 3.8Å; F158-L189 HydrophobicContact CE1-CD1 4.42Å; F158-L189 HydrophobicContact CE2-CD1 4.13Å; F158-L189 HydrophobicContact CZ-CD1 3.71Å; P178-L189 HydrophobicContact CG-CB 4.46Å; P178-L189 HydrophobicContact CG-CD1 4.5Å; P178-L189 HydrophobicContact CG-CD2 3.9Å; Q180-L189 HydrophobicContact CB-CD2 4.27Å; V187-L189 HydrophobicContact CG2-CD2 4.23Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.47Å; L189-L242 HydrophobicContact CD1-CD1 4.05Å
190M95.1Very high93.7Very high98 Ų9859.6 Ų59.648%0.48332%0.324SS..  trans-87.372.3171.6-56.9178.165.400108.8P179 V181 Q188 D192P179-M190 HydrophobicContact CB-CB 4.11Å; P179-M190 WeakPolarHBondContact O-CA 3.44Å; P179-M190 VanDerWaalsContact O-CB 3.31Å; P179-M190 WeakPolarHBondContact O-CB 3.44Å; P179-M190 PolarHBondContact O-N 3.25Å; V181-M190 HydrophobicContact CG2-SD 3.79Å; Q188-M190 PolarHBondContact O-N 2.86Å; M190-D192 PolarHBondContact O-N 2.93Å
191R93.8Very high93.8Very high82 Ų8259.1 Ų59.131%0.30933%0.325SS..  trans-52.2124.2-176.6-53.9-63.1-45.2-94.9-150.8111.3F158 L189 E196 E245F158-R191 VanDerWaalsContact CE2-CZ 3.45Å; F158-R191 VanDerWaalsContact CZ-CZ 3.41Å; F158-R191 VanDerWaalsContact CZ-NH1 3.3Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.47Å; R191-E196 WeakPolarHBondContact CA-OE1 3.31Å; R191-E196 IonicContact CZ-OE1 2.84Å; R191-E196 IonicContact CZ-OE2 2.81Å; R191-E196 IonicContact NE-OE1 3.74Å; R191-E196 PolarHBondContact NE-OE1 3.03Å; R191-E196 IonicContact NE-OE2 3.72Å; R191-E196 PolarHBondContact NE-OE2 3.25Å; R191-E196 VanDerWaalsContact NE-OE2 3.17Å; R191-E196 IonicContact NH1-OE1 3.54Å; R191-E196 PolarHBondContact NH1-OE1 2.94Å; R191-E196 IonicContact NH1-OE2 3.02Å; R191-E196 PolarHBondContact NH1-OE2 3.46Å; R191-E196 IonicContact NH2-OE2 2.91Å; R191-E245 IonicContact NH2-OE1 3.58Å; R191-E245 PolarHBondContact NH2-OE1 2.83Å; R191-E245 VanDerWaalsContact NH2-OE1 3.09Å; R191-E245 IonicContact NH2-OE2 3.43Å
192D93.9Very high94Very high64 Ų6455.3 Ų55.334%0.34230%0.302SS..  trans-108.5109171.8-178.5-32.9000108.8M190 Q194 E195 E196M190-D192 PolarHBondContact O-N 2.93Å; D192-Q194 VanDerWaalsContact C-N 3.26Å; D192-Q194 PolarHBondContact O-N 3.19Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.5Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.32Å; D192-Q194 PolarHBondContact OD1-N 3.28Å; D192-E195 HydrophobicContact CB-CB 3.98Å; D192-E195 PolarHBondContact O-N 3.37Å; D192-E195 PolarHBondContact OD1-N 2.61Å; D192-E196 PolarHBondContact N-OE1 3.19Å; D192-E196 VanDerWaalsContact O-CB 3.26Å; D192-E196 WeakPolarHBondContact O-CB 3.39Å; D192-E196 WeakPolarHBondContact O-CG 3.3Å; D192-E196 PolarHBondContact O-N 3.05Å
193A94.7Very high94.4Very high82 Ų8254.1 Ų54.168%0.67829%0.29SS*.Hα-helixtrans-64.7-28.1-175.800000113.6A197A193-A197 VanDerWaalsContact O-CB 3.28Å; A193-A197 WeakPolarHBondContact O-CB 3.43Å; A193-A197 PolarHBondContact O-N 2.87Å; A193-A197 VanDerWaalsContact O-N 3.14Å
194Q94.5Very high94.8Very high134 Ų13457.9 Ų57.963%0.62630%0.302SS*.Hα-helixtrans-80.3-43.2179.9-176.2176.4-2.100111D192 R198D192-Q194 VanDerWaalsContact C-N 3.26Å; D192-Q194 PolarHBondContact O-N 3.19Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.5Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.32Å; D192-Q194 PolarHBondContact OD1-N 3.28Å; Q194-R198 PolarHBondContact O-N 2.73Å
195E95Very high95.4Very high37 Ų3753.6 Ų53.617%0.17329%0.286CS..Hα-helixtrans-63.6-45.5174.1-173.9161.590.800111.1Y176 D192 A197 R198 V199 L376Y176-E195 HydrophobicContact CE2-CG 4.37Å; Y176-E195 PolarHBondContact OH-OE1 3.37Å; D192-E195 HydrophobicContact CB-CB 3.98Å; D192-E195 PolarHBondContact O-N 3.37Å; D192-E195 PolarHBondContact OD1-N 2.61Å; E195-A197 VanDerWaalsContact C-N 3.33Å; E195-A197 PolarHBondContact O-N 3.14Å; E195-R198 WeakPolarHBondContact O-CA 3.17Å; E195-R198 VanDerWaalsContact O-CB 3.32Å; E195-R198 WeakPolarHBondContact O-CB 3.47Å; E195-R198 PolarHBondContact O-N 2.91Å; E195-V199 WeakPolarHBondContact O-CG2 3.42Å; E195-V199 PolarHBondContact O-N 3.29Å; E195-L376 HydrophobicContact CG-CD1 4.3Å
196E97.2Very high96Very high19 Ų1950 Ų509%0.08927%0.266CS..Hα-helixtrans-64.8-35.7178.7-73.7166.4-166.700113.1Y176 R191 D192 R198 V199 D200Y176-E196 HydrophobicContact CE1-CG 3.83Å; R191-E196 WeakPolarHBondContact CA-OE1 3.31Å; R191-E196 IonicContact CZ-OE1 2.84Å; R191-E196 IonicContact CZ-OE2 2.81Å; R191-E196 IonicContact NE-OE1 3.74Å; R191-E196 PolarHBondContact NE-OE1 3.03Å; R191-E196 IonicContact NE-OE2 3.72Å; R191-E196 PolarHBondContact NE-OE2 3.25Å; R191-E196 VanDerWaalsContact NE-OE2 3.17Å; R191-E196 IonicContact NH1-OE1 3.54Å; R191-E196 PolarHBondContact NH1-OE1 2.94Å; R191-E196 IonicContact NH1-OE2 3.02Å; R191-E196 PolarHBondContact NH1-OE2 3.46Å; R191-E196 IonicContact NH2-OE2 2.91Å; D192-E196 PolarHBondContact N-OE1 3.19Å; D192-E196 VanDerWaalsContact O-CB 3.26Å; D192-E196 WeakPolarHBondContact O-CB 3.39Å; D192-E196 WeakPolarHBondContact O-CG 3.3Å; D192-E196 PolarHBondContact O-N 3.05Å; E196-R198 PolarHBondContact O-N 2.94Å; E196-V199 PolarHBondContact O-N 3.09Å; E196-D200 WeakPolarHBondContact O-CB 3.47Å; E196-D200 PolarHBondContact O-N 3.05Å
197A96.9Very high96.3Very high42 Ų4249 Ų4935%0.34727%0.267SS..Hα-helixtrans-59.5-39.2171.800000111A193 E195 A201 I384A193-A197 VanDerWaalsContact O-CB 3.28Å; A193-A197 WeakPolarHBondContact O-CB 3.43Å; A193-A197 PolarHBondContact O-N 2.87Å; A193-A197 VanDerWaalsContact O-N 3.14Å; E195-A197 VanDerWaalsContact C-N 3.33Å; E195-A197 PolarHBondContact O-N 3.14Å; A197-A201 VanDerWaalsContact O-CB 3.3Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 2.93Å; A197-I384 VanDerWaalsContact C-CD1 3.5Å; A197-I384 HydrophobicContact CB-CD1 3.77Å; A197-I384 WeakPolarHBondContact O-CD1 3.48Å
198R97.4Very high96.6Very high39 Ų3949.5 Ų49.515%0.14727%0.269CS..Hα-helixtrans-66.9-44.1174.8-70-177.3-74.3-132-0.3111.5Q194 E195 E196 D200 A201 I202 L376 A379 I384Q194-R198 PolarHBondContact O-N 2.73Å; E195-R198 WeakPolarHBondContact O-CA 3.17Å; E195-R198 VanDerWaalsContact O-CB 3.32Å; E195-R198 WeakPolarHBondContact O-CB 3.47Å; E195-R198 PolarHBondContact O-N 2.91Å; E196-R198 PolarHBondContact O-N 2.94Å; R198-D200 VanDerWaalsContact C-N 3.34Å; R198-D200 PolarHBondContact O-N 3.09Å; R198-A201 PolarHBondContact O-N 3.11Å; R198-I202 VanDerWaalsContact O-CG1 3.27Å; R198-I202 WeakPolarHBondContact O-CG1 3.32Å; R198-I202 PolarHBondContact O-N 3.02Å; R198-L376 HydrophobicContact CB-CD1 4.4Å; R198-A379 HydrophobicContact CB-CB 4.48Å; R198-A379 VanDerWaalsContact CD-O 3.32Å; R198-A379 WeakPolarHBondContact CD-O 3.38Å; R198-I384 HydrophobicContact CG-CD1 3.94Å; R198-I384 HydrophobicContact CG-CG1 4.36Å
199V98.2Very high96.7Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-57.6-48.2175.6176.40000110.8Y160 Y176 E195 E196 A201 I202 A203 F372 L376Y160-V199 HydrophobicContact CD2-CG1 4.28Å; Y160-V199 HydrophobicContact CE1-CG1 3.94Å; Y160-V199 HydrophobicContact CE2-CG1 3.62Å; Y160-V199 VanDerWaalsContact CZ-CG1 3.43Å; Y176-V199 HydrophobicContact CD1-CB 4.48Å; Y176-V199 HydrophobicContact CD1-CG1 4.05Å; Y176-V199 HydrophobicContact CD1-CG2 4.07Å; Y176-V199 HydrophobicContact CD2-CG2 3.75Å; Y176-V199 HydrophobicContact CE1-CG2 4.09Å; Y176-V199 HydrophobicContact CE2-CG2 3.78Å; Y176-V199 HydrophobicContact CG-CG1 3.95Å; Y176-V199 HydrophobicContact CG-CG2 3.91Å; E195-V199 WeakPolarHBondContact O-CG2 3.42Å; E195-V199 PolarHBondContact O-N 3.29Å; E196-V199 PolarHBondContact O-N 3.09Å; V199-A201 VanDerWaalsContact C-N 3.35Å; V199-A201 PolarHBondContact O-N 3.17Å; V199-I202 PolarHBondContact O-N 3.02Å; V199-A203 WeakPolarHBondContact O-CB 3.36Å; V199-A203 PolarHBondContact O-N 3.4Å; V199-F372 HydrophobicContact CB-CZ 4.44Å; V199-F372 HydrophobicContact CG1-CE2 3.95Å; V199-F372 HydrophobicContact CG1-CZ 3.79Å; V199-F372 HydrophobicContact CG2-CE2 4.49Å; V199-F372 HydrophobicContact CG2-CZ 4.04Å; V199-L376 HydrophobicContact CG2-CD1 3.7Å; V199-L376 HydrophobicContact CG2-CD2 4.16Å
200D97.8Very high96.9Very high72 Ų7251.1 Ų51.139%0.38527%0.269SS..Hα-helixtrans-64.8-38178.5-75.4-16.5000111.9Y160 E196 R198 H204Y160-D200 VanDerWaalsContact CE1-OD1 3.26Å; Y160-D200 WeakPolarHBondContact CE1-OD1 3.32Å; Y160-D200 PolarHBondContact OH-OD1 2.67Å; E196-D200 WeakPolarHBondContact O-CB 3.47Å; E196-D200 PolarHBondContact O-N 3.05Å; R198-D200 VanDerWaalsContact C-N 3.34Å; R198-D200 PolarHBondContact O-N 3.09Å; D200-H204 WeakPolarHBondContact O-CB 3.41Å; D200-H204 PolarHBondContact O-N 3Å
201A98.1Very high97Very high19 Ų1946.5 Ų46.516%0.15725%0.246CC..Hα-helixtrans-65.6-41.7174.800000112A197 R198 V199 H204 G205 I384 V388A197-A201 VanDerWaalsContact O-CB 3.3Å; A197-A201 WeakPolarHBondContact O-CB 3.33Å; A197-A201 PolarHBondContact O-N 2.93Å; R198-A201 PolarHBondContact O-N 3.11Å; V199-A201 VanDerWaalsContact C-N 3.35Å; V199-A201 PolarHBondContact O-N 3.17Å; A201-H204 PolarHBondContact O-N 3.03Å; A201-G205 PolarHBondContact O-N 2.96Å; A201-I384 HydrophobicContact CB-CD1 4.26Å; A201-I384 HydrophobicContact CB-CG1 3.74Å; A201-V388 HydrophobicContact CB-CG1 4.01Å
202I98.5Very high97.3Very high1 Ų142.6 Ų42.61%0.00523%0.232CC..Hα-helixtrans-62.1-52.1175.2-70.1163.9000109.8R198 V199 H204 G205 L206 F372 L375 L376 A379 V388 T392R198-I202 VanDerWaalsContact O-CG1 3.27Å; R198-I202 WeakPolarHBondContact O-CG1 3.32Å; R198-I202 PolarHBondContact O-N 3.02Å; V199-I202 PolarHBondContact O-N 3.02Å; I202-H204 VanDerWaalsContact C-N 3.32Å; I202-H204 PolarHBondContact O-N 2.86Å; I202-G205 PolarHBondContact O-N 2.88Å; I202-L206 HydrophobicContact CG2-CD1 3.84Å; I202-L206 HydrophobicContact CG2-CG 4.47Å; I202-L206 VanDerWaalsContact O-CG 3.31Å; I202-L206 WeakPolarHBondContact O-CG 3.39Å; I202-L206 PolarHBondContact O-N 2.84Å; I202-F372 HydrophobicContact CG2-CD2 3.9Å; I202-F372 HydrophobicContact CG2-CE2 4.21Å; I202-L375 HydrophobicContact CD1-CB 4.27Å; I202-L375 HydrophobicContact CG2-CB 4.35Å; I202-L375 HydrophobicContact CG2-CD1 4.37Å; I202-L376 HydrophobicContact CD1-CB 4.24Å; I202-L376 HydrophobicContact CD1-CD1 4.24Å; I202-A379 HydrophobicContact CD1-CB 3.88Å; I202-A379 HydrophobicContact CG1-CB 4.45Å; I202-V388 HydrophobicContact CG1-CG1 3.69Å; I202-T392 HydrophobicContact CB-CG2 4.28Å; I202-T392 HydrophobicContact CG1-CG2 4.33Å; I202-T392 HydrophobicContact CG2-CG2 3.98Å
203A98.3Very high97.5Very high0 Ų039.5 Ų39.50%022%0.215CC..Hα-helixtrans-55.9-48.4178.400000111Y160 F174 V199 G205 L206 G207 M208Y160-A203 HydrophobicContact CD1-CB 3.49Å; Y160-A203 VanDerWaalsContact CD1-CB 3.49Å; Y160-A203 HydrophobicContact CE1-CB 3.87Å; F174-A203 HydrophobicContact CZ-CB 4.07Å; V199-A203 WeakPolarHBondContact O-CB 3.36Å; V199-A203 PolarHBondContact O-N 3.4Å; A203-G205 PolarHBondContact O-N 3.43Å; A203-L206 CarbonylContact O-C 3.54Å; A203-L206 WeakPolarHBondContact O-CA 3.48Å; A203-L206 WeakPolarHBondContact O-CB 3.35Å; A203-L206 PolarHBondContact O-N 2.88Å; A203-L206 VanDerWaalsContact O-N 3.09Å; A203-G207 PolarHBondContact O-N 3.3Å; A203-G207 VanDerWaalsContact O-N 3.11Å; A203-M208 CarbonylContact C-O 3.51Å; A203-M208 VanDerWaalsContact C-O 3.22Å; A203-M208 HydrophobicContact CB-CB 4.25Å; A203-M208 CarbonylContact O-C 3.55Å; A203-M208 WeakPolarHBondContact O-CA 3.4Å; A203-M208 WeakPolarHBondContact O-CB 3.49Å; A203-M208 PolarHBondContact O-N 2.79Å; A203-M208 VanDerWaalsContact O-O 3.08Å
204H97.9Very high97.6Very high152 Ų15235.6 Ų35.670%0.70418%0.183SC*.Hα-helixtrans-59-45.3179.7-173.276.4000112.2D200 A201 I202 L206 G207 M208D200-H204 WeakPolarHBondContact O-CB 3.41Å; D200-H204 PolarHBondContact O-N 3Å; A201-H204 PolarHBondContact O-N 3.03Å; I202-H204 VanDerWaalsContact C-N 3.32Å; I202-H204 PolarHBondContact O-N 2.86Å; H204-L206 VanDerWaalsContact C-N 3.27Å; H204-L206 PolarHBondContact O-N 3.25Å; H204-G207 WeakPolarHBondContact O-CA 3.49Å; H204-G207 PolarHBondContact O-N 2.81Å; H204-M208 PolarHBondContact N-O 3.17Å
205G97.6Very high97.6Very high14 Ų1429.3 Ų29.314%0.14415%0.153CC..Hα-helixtrans-65.5-29.2176.800000113.8A201 I202 A203 G207 T392 K396A201-G205 PolarHBondContact O-N 2.96Å; I202-G205 PolarHBondContact O-N 2.88Å; A203-G205 PolarHBondContact O-N 3.43Å; G205-G207 PolarHBondContact O-N 3.36Å; G205-T392 WeakPolarHBondContact CA-OG1 3.47Å; G205-K396 WeakPolarHBondContact O-CD 3.28Å
206L97.9Very high97.5Very high12 Ų1227.5 Ų27.56%0.06315%0.145CC..Hα-helixtrans-77-5.6169.9-64.1173.1000113.5F174 I202 A203 H204 M208 L335 T392 V395F174-L206 HydrophobicContact CE1-CD1 4.45Å; I202-L206 HydrophobicContact CG2-CD1 3.84Å; I202-L206 HydrophobicContact CG2-CG 4.47Å; I202-L206 VanDerWaalsContact O-CG 3.31Å; I202-L206 WeakPolarHBondContact O-CG 3.39Å; I202-L206 PolarHBondContact O-N 2.84Å; A203-L206 CarbonylContact O-C 3.54Å; A203-L206 WeakPolarHBondContact O-CA 3.48Å; A203-L206 WeakPolarHBondContact O-CB 3.35Å; A203-L206 PolarHBondContact O-N 2.88Å; A203-L206 VanDerWaalsContact O-N 3.09Å; H204-L206 VanDerWaalsContact C-N 3.27Å; H204-L206 PolarHBondContact O-N 3.25Å; L206-M208 VanDerWaalsContact C-N 3.33Å; L206-M208 HydrophobicContact CB-CE 4.44Å; L206-M208 HydrophobicContact CB-CG 4.19Å; L206-M208 HydrophobicContact CB-SD 4.03Å; L206-M208 HydrophobicContact CD1-SD 4.36Å; L206-L335 HydrophobicContact CD1-CD1 3.99Å; L206-L335 HydrophobicContact CD1-CD2 4.28Å; L206-L335 HydrophobicContact CD2-CD2 4.36Å; L206-T392 HydrophobicContact CG-CG2 4.35Å; L206-V395 HydrophobicContact CD2-CB 3.89Å; L206-V395 HydrophobicContact CD2-CG1 3.56Å
207G97.5Very high96.9Very high32 Ų3227.8 Ų27.833%0.3315%0.147SC..THydrogen-bonded Turntrans75.124.3-174.200000113.6R162 A203 H204 G205R162-G207 WeakPolarHBondContact CG-O 3.18Å; A203-G207 PolarHBondContact O-N 3.3Å; A203-G207 VanDerWaalsContact O-N 3.11Å; H204-G207 WeakPolarHBondContact O-CA 3.49Å; H204-G207 PolarHBondContact O-N 2.81Å; G205-G207 PolarHBondContact O-N 3.36Å
208M97.9Very high95.7Very high12 Ų1226.4 Ų26.46%0.05914%0.135CC..  trans-113.6170.2179.6-60.9171.8-177.700110G161 R162 D173 F174 A203 H204 L206 P334G161-M208 CarbonylContact O-C 3.46Å; G161-M208 WeakPolarHBondContact O-CA 3.17Å; G161-M208 WeakPolarHBondContact O-CB 3.39Å; R162-M208 HydrophobicContact CG-CG 4.12Å; D173-M208 HydrophobicContact CB-CE 3.53Å; D173-M208 HydrophobicContact CB-SD 3.76Å; D173-M208 VanDerWaalsContact CG-CE 3.44Å; D173-M208 WeakPolarHBondContact OD2-CE 3.41Å; F174-M208 HydrophobicContact CD1-SD 3.94Å; F174-M208 HydrophobicContact CE1-SD 3.63Å; A203-M208 CarbonylContact C-O 3.51Å; A203-M208 VanDerWaalsContact C-O 3.22Å; A203-M208 HydrophobicContact CB-CB 4.25Å; A203-M208 CarbonylContact O-C 3.55Å; A203-M208 WeakPolarHBondContact O-CA 3.4Å; A203-M208 WeakPolarHBondContact O-CB 3.49Å; A203-M208 PolarHBondContact O-N 2.79Å; A203-M208 VanDerWaalsContact O-O 3.08Å; H204-M208 PolarHBondContact N-O 3.17Å; L206-M208 VanDerWaalsContact C-N 3.33Å; L206-M208 HydrophobicContact CB-CE 4.44Å; L206-M208 HydrophobicContact CB-CG 4.19Å; L206-M208 HydrophobicContact CB-SD 4.03Å; L206-M208 HydrophobicContact CD1-SD 4.36Å; M208-P334 HydrophobicContact CE-CG 3.76Å
209R97.8Very high94Very high128 Ų12828.4 Ų28.448%0.48315%0.151SC..EExtended strand (participates in β ladder)trans-150.6166.7175.564.9-176.4-62.1166.23.7109.8Y160 G161 V211Y160-R209 WeakPolarHBondContact CA-O 3.33Å; Y160-R209 VanDerWaalsContact CD1-C 3.48Å; G161-R209 PolarHBondContact N-O 3.44Å; G161-R209 PolarHBondContact O-N 2.91Å; R209-V211 HydrophobicContact CG-CG1 3.86Å; R209-V211 PolarHBondContact O-N 2.8Å
210R98.4Very high91.9Very high35 Ų3529.8 Ų29.813%0.13217%0.165CC..EExtended strand (participates in β ladder)trans-64.9123.7167.9-166.6172.857167.2-3.1109.4F158 Y160 E245 W251F158-R210 HydrophobicContact CB-CG 4.33Å; F158-R210 HydrophobicContact CD1-CG 4.41Å; Y160-R210 HydrophobicContact CD1-CB 4.11Å; Y160-R210 HydrophobicContact CE1-CB 3.64Å; Y160-R210 HydrophobicContact CE1-CG 4.34Å; Y160-R210 HydrophobicContact CE2-CB 4.38Å; Y160-R210 HydrophobicContact CE2-CG 4.21Å; R210-E245 IonicContact CZ-OE1 2.72Å; R210-E245 VanDerWaalsContact CZ-OE1 3.29Å; R210-E245 IonicContact NH1-OE1 3.11Å; R210-E245 PolarHBondContact NH1-OE1 2.66Å; R210-E245 IonicContact NH2-OE1 3.23Å; R210-E245 PolarHBondContact NH2-OE1 3.17Å; R210-W251 HydrophobicContact CG-CH2 3.9Å; R210-W251 HydrophobicContact CG-CZ3 3.91Å
211V98.5Very high90Very high0 Ų028.1 Ų28.10%015%0.154CC..EExtended strand (participates in β ladder)trans-121.5-10.8-175.7-67.40000113.4L159 V163 V170 V172 R209 I248 W251 V252L159-V211 HydrophobicContact CB-CG2 4.18Å; L159-V211 WeakPolarHBondContact O-CG2 3.18Å; L159-V211 PolarHBondContact O-N 2.98Å; V163-V211 HydrophobicContact CG2-CG1 3.9Å; V170-V211 HydrophobicContact CG1-CB 3.7Å; V170-V211 HydrophobicContact CG1-CG1 4.26Å; V170-V211 HydrophobicContact CG1-CG2 3.64Å; V172-V211 HydrophobicContact CG2-CG2 4.04Å; R209-V211 HydrophobicContact CG-CG1 3.86Å; R209-V211 PolarHBondContact O-N 2.8Å; V211-I248 HydrophobicContact CB-CD1 4.14Å; V211-I248 HydrophobicContact CG1-CD1 4.19Å; V211-W251 WeakPolarHBondContact O-CA 3.21Å; V211-V252 PolarHBondContact O-N 3.38Å; V211-V252 VanDerWaalsContact O-N 3.12Å
212G98.4Very high87.7Confident0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-175.2-172-176.600000115.9L159 V252L159-G212 PolarHBondContact N-O 2.91Å; L159-G212 PolarHBondContact O-N 3.18Å; G212-V252 CarbonylContact C-O 3.56Å; G212-V252 WeakPolarHBondContact CA-O 3.4Å
213L98.2Very high85.2Confident0 Ų041.3 Ų41.30%022%0.218CC..EExtended strand (participates in β ladder)trans-128.8142.6174.2174.670.2000108.4A156 G157 F158 L159 F215 L242 W251 V252 T253 A254A156-L213 HydrophobicContact CB-CD1 4.28Å; G157-L213 CarbonylContact O-C 3.54Å; G157-L213 WeakPolarHBondContact O-CA 3.47Å; G157-L213 WeakPolarHBondContact O-CD1 3.46Å; F158-L213 HydrophobicContact CD1-CD1 4.45Å; F158-L213 HydrophobicContact CE1-CD1 4.4Å; L159-L213 WeakPolarHBondContact CD1-O 3.44Å; L213-F215 HydrophobicContact CD2-CD1 3.83Å; L213-F215 HydrophobicContact CD2-CE1 4.24Å; L213-F215 HydrophobicContact CG-CD1 4.18Å; L213-L242 HydrophobicContact CD1-CD1 3.8Å; L213-L242 HydrophobicContact CD2-CD1 3.56Å; L213-L242 HydrophobicContact CG-CD1 4.19Å; L213-W251 HydrophobicContact CB-CZ2 4.17Å; L213-V252 PolarHBondContact N-O 3.5Å; L213-T253 HydrophobicContact CD2-CG2 4.5Å; L213-T253 CarbonylContact O-C 3.55Å; L213-T253 VanDerWaalsContact O-CA 3.31Å; L213-T253 WeakPolarHBondContact O-CA 3.38Å; L213-A254 PolarHBondContact O-N 3.43Å
214V97.8Very high83.1Confident0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans-116.9141.8162.159.50000109F141 A156 G157 L159 I175 A254 V256 F270F141-V214 HydrophobicContact CD1-CG2 4.33Å; F141-V214 HydrophobicContact CE1-CG1 4.27Å; F141-V214 HydrophobicContact CE1-CG2 3.79Å; F141-V214 HydrophobicContact CE2-CG1 4.3Å; F141-V214 HydrophobicContact CZ-CG1 4.06Å; F141-V214 HydrophobicContact CZ-CG2 4.26Å; A156-V214 CarbonylContact C-O 3.56Å; A156-V214 WeakPolarHBondContact CA-O 3.31Å; A156-V214 VanDerWaalsContact CB-O 3.28Å; A156-V214 WeakPolarHBondContact CB-O 3.39Å; G157-V214 PolarHBondContact N-O 3.24Å; G157-V214 WeakPolarHBondContact O-CG1 3.49Å; G157-V214 PolarHBondContact O-N 2.93Å; L159-V214 HydrophobicContact CD2-CB 3.76Å; L159-V214 HydrophobicContact CD2-CG1 3.66Å; L159-V214 HydrophobicContact CG-CB 4.32Å; L159-V214 HydrophobicContact CG-CG1 4.49Å; I175-V214 HydrophobicContact CD1-CG1 4.34Å; I175-V214 HydrophobicContact CG2-CG1 3.9Å; V214-A254 CarbonylContact C-O 3.58Å; V214-A254 VanDerWaalsContact CA-O 3.28Å; V214-A254 WeakPolarHBondContact CA-O 3.46Å; V214-A254 HydrophobicContact CB-CB 4.05Å; V214-A254 HydrophobicContact CG2-CB 3.99Å; V214-V256 HydrophobicContact CG2-CG2 3.63Å; V214-F270 HydrophobicContact CG2-CE1 4.08Å
215F94.9Very high81.3Confident1 Ų144.7 Ų44.70%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-140.8157.7164.657.6-99.2000111.7R155 A156 L213 M231 E235 T253 A254 I255 V256R155-F215 CarbonylContact O-C 3.5Å; R155-F215 WeakPolarHBondContact O-CA 3.38Å; A156-F215 HydrophobicContact CB-CB 3.9Å; L213-F215 HydrophobicContact CD2-CD1 3.83Å; L213-F215 HydrophobicContact CD2-CE1 4.24Å; L213-F215 HydrophobicContact CG-CD1 4.18Å; F215-M231 HydrophobicContact CE1-CE 4.29Å; F215-M231 HydrophobicContact CZ-CE 3.77Å; F215-M231 HydrophobicContact CZ-CG 4.24Å; F215-M231 HydrophobicContact CZ-SD 3.89Å; F215-E235 HydrophobicContact CD2-CG 4.37Å; F215-E235 HydrophobicContact CE2-CB 4.04Å; F215-E235 HydrophobicContact CE2-CG 3.74Å; F215-E235 HydrophobicContact CZ-CB 3.82Å; F215-E235 HydrophobicContact CZ-CG 4.05Å; F215-T253 HydrophobicContact CD1-CG2 4.14Å; F215-T253 HydrophobicContact CE1-CG2 3.39Å; F215-T253 HydrophobicContact CZ-CG2 4.14Å; F215-A254 PolarHBondContact N-O 3.45Å; F215-I255 HydrophobicContact CE2-CD1 4.28Å; F215-I255 HydrophobicContact CE2-CG1 3.88Å; F215-I255 HydrophobicContact CE2-CG2 4.49Å; F215-I255 HydrophobicContact CZ-CD1 4.37Å; F215-I255 HydrophobicContact CZ-CG1 3.97Å; F215-I255 WeakPolarHBondContact O-CA 3.28Å; F215-V256 PolarHBondContact O-N 3.5Å
216T92.6Very high79.5Confident0 Ų046.1 Ų46.10%025%0.25CS..EExtended strand (participates in β ladder)trans-93.1149.8178.666.40000110.9F141 V145 K154 R155 V256F141-T216 HydrophobicContact CE1-CG2 3.66Å; F141-T216 HydrophobicContact CZ-CG2 3.83Å; V145-T216 HydrophobicContact CB-CG2 4.14Å; V145-T216 HydrophobicContact CG1-CG2 3.6Å; V145-T216 HydrophobicContact CG2-CG2 3.46Å; V145-T216 VanDerWaalsContact CG2-CG2 3.46Å; K154-T216 WeakPolarHBondContact CA-OG1 3.48Å; K154-T216 WeakPolarHBondContact CG-O 3.49Å; R155-T216 HydrophobicContact CB-CG2 4.26Å; R155-T216 PolarHBondContact N-OG1 2.91Å; R155-T216 PolarHBondContact O-N 3.38Å; T216-V256 CarbonylContact C-O 3.49Å; T216-V256 VanDerWaalsContact CA-O 3.32Å; T216-V256 WeakPolarHBondContact CA-O 3.4Å; T216-V256 HydrophobicContact CG2-CB 4.26Å
217Q84.8Confident78Confident25 Ų2547.2 Ų47.212%0.11727%0.265CS..PPolyproline II helixtrans-95.4133.4163.7-76.1-179.4-4.600109.7F151 T230 I255 V256 K257F151-Q217 WeakPolarHBondContact CD1-O 3.15Å; Q217-T230 PolarHBondContact NE2-O 2.77Å; Q217-I255 HydrophobicContact CG-CG2 3.6Å; Q217-V256 PolarHBondContact N-O 2.83Å; Q217-K257 HydrophobicContact CB-CB 4.43Å
218A71Confident76.9Confident13 Ų1353.1 Ų53.111%0.10728%0.284CS..PPolyproline II helixtrans-73150.5172.500000111.4F151 E184F151-A218 WeakPolarHBondContact O-CA 3.39Å; F151-A218 WeakPolarHBondContact O-CB 3.12Å; E184-A218 HydrophobicContact CB-CB 4.49Å; E184-A218 HydrophobicContact CG-CB 3.78Å; E184-A218 WeakPolarHBondContact O-CB 3.26Å
219V61.8Low76.2Confident80 Ų8054.2 Ų54.249%0.48529%0.287SS..THydrogen-bonded Turntrans-71.3134.1172.7174.30000108.8F151 L258F151-V219 HydrophobicContact CB-CB 4.49Å; F151-V219 HydrophobicContact CB-CG2 3.61Å; F151-V219 HydrophobicContact CG-CG2 4.34Å; F151-V219 PolarHBondContact O-N 2.78Å; V219-L258 HydrophobicContact CG2-CB 4.12Å; V219-L258 HydrophobicContact CG2-CD2 3.73Å
220G53.5Low75.6Confident29 Ų2950 Ų5030%0.29928%0.276SS..THydrogen-bonded Turntrans124.2-6.8-178.800000115.2K222 T223G220-K222 VanDerWaalsContact C-N 3.34Å; G220-K222 PolarHBondContact O-N 2.94Å; G220-T223 PolarHBondContact O-N 3.11Å; G220-T223 PolarHBondContact O-OG1 3.27Å
221R57.9Low75.3Confident38 Ų3848.3 Ų48.314%0.14327%0.27CS..G310 helixtrans-68-27.5-179.7-166.5168.1166.5163.8-15.5114.6T223 S224 Y229 T230 M231 E235R221-T223 PolarHBondContact O-N 2.82Å; R221-S224 PolarHBondContact O-OG 2.63Å; R221-Y229 HydrophobicContact CG-CE1 4.04Å; R221-Y229 VanDerWaalsContact CZ-CD2 3.47Å; R221-Y229 PolarHBondContact NE-O 2.74Å; R221-Y229 PolarHBondContact NH2-O 2.8Å; R221-T230 PolarHBondContact NH2-O 2.89Å; R221-M231 VanDerWaalsContact NH2-C 3.28Å; R221-M231 VanDerWaalsContact NH2-N 3.19Å; R221-E235 IonicContact CZ-OE2 2.63Å; R221-E235 IonicContact NH1-OE1 2.67Å; R221-E235 PolarHBondContact NH1-OE1 2.83Å; R221-E235 VanDerWaalsContact NH1-OE1 3.14Å; R221-E235 IonicContact NH1-OE2 2.97Å; R221-E235 PolarHBondContact NH1-OE2 3.43Å; R221-E235 IonicContact NH2-OE2 2.78Å; R221-E235 PolarHBondContact NH2-OE2 3.33Å
222K50.6Low75Confident176 Ų17648.7 Ų48.777%0.76527%0.272SS*.G310 helixtrans-71.7-16.1174.9-71.1-172176.5-178.40113.3G220G220-K222 VanDerWaalsContact C-N 3.34Å; G220-K222 PolarHBondContact O-N 2.94Å
223T46.4Very low74.8Confident121 Ų12149.1 Ų49.174%0.74228%0.275SS*.G310 helixtrans-95.81.3-17835.70000114.2G220 R221G220-T223 PolarHBondContact O-N 3.11Å; G220-T223 PolarHBondContact O-OG1 3.27Å; R221-T223 PolarHBondContact O-N 2.82Å
224S54.3Low74.6Confident44 Ų4452.5 Ų52.531%0.30829%0.287SS..SBendtrans-76.1141.3175.964.60000111.6R221 T226 G227R221-S224 PolarHBondContact O-OG 2.63Å; S224-T226 WeakPolarHBondContact CB-OG1 3.21Å; S224-T226 PolarHBondContact O-N 3.41Å; S224-T226 PolarHBondContact OG-OG1 3.11Å; S224-G227 PolarHBondContact O-N 3.33Å
225D59.8Low74.4Confident179 Ų17952.8 Ų52.896%0.95729%0.289SS*.THydrogen-bonded Turntrans-57.2-12.4174.4-67.5-28.6000113.4
226T60.6Low74.5Confident43 Ų4352.7 Ų52.726%0.26429%0.288SS..THydrogen-bonded Turntrans-83.9-8.9-175.952.80000114.3S224 P298 R299S224-T226 WeakPolarHBondContact CB-OG1 3.21Å; S224-T226 PolarHBondContact O-N 3.41Å; S224-T226 PolarHBondContact OG-OG1 3.11Å; T226-P298 HydrophobicContact CG2-CG 4.4Å; T226-R299 WeakPolarHBondContact O-CD 3.35Å; T226-R299 PolarHBondContact O-NE 2.93Å; T226-R299 VanDerWaalsContact O-NE 3.1Å; T226-R299 PolarHBondContact O-NH1 2.78Å
227G66Low74.7Confident35 Ų3553.8 Ų53.836%0.36129%0.294SS..  trans81.2179-178.900000114.3S224 Y229S224-G227 PolarHBondContact O-N 3.33Å; G227-Y229 VanDerWaalsContact O-CD1 3.29Å; G227-Y229 WeakPolarHBondContact O-CD1 3.38Å
228E73.7Confident75.3Confident157 Ų15754.6 Ų54.673%0.73430%0.298SS*.  trans-81.3140.7-173.5-171.2167.8-145.900112.5
229Y83.9Confident76.5Confident34 Ų3454 Ų5413%0.13329%0.292CS..  trans-155.7147.8176.756.9-78.3000110.7R221 G227 M231 P298 R299R221-Y229 HydrophobicContact CG-CE1 4.04Å; R221-Y229 VanDerWaalsContact CZ-CD2 3.47Å; R221-Y229 PolarHBondContact NE-O 2.74Å; R221-Y229 PolarHBondContact NH2-O 2.8Å; G227-Y229 VanDerWaalsContact O-CD1 3.29Å; G227-Y229 WeakPolarHBondContact O-CD1 3.38Å; Y229-M231 WeakPolarHBondContact CD2-O 3.34Å; Y229-P298 HydrophobicContact CE1-CB 4.36Å; Y229-P298 HydrophobicContact CE1-CG 3.92Å; Y229-P298 HydrophobicContact CE2-CB 3.92Å; Y229-P298 HydrophobicContact CE2-CG 4.38Å; Y229-R299 HydrophobicContact CD1-CG 3.7Å; Y229-R299 HydrophobicContact CE1-CG 4.48Å; Y229-R299 HydrophobicContact CG-CG 3.81Å
230T85.7Confident78.3Confident40 Ų4050.1 Ų50.125%0.24527%0.269CS..SBendtrans-77.7-48.3-174.2-520000113.2Q217 R221 I255 F273 L323Q217-T230 PolarHBondContact NE2-O 2.77Å; R221-T230 PolarHBondContact NH2-O 2.89Å; T230-I255 HydrophobicContact CG2-CD1 4.29Å; T230-F273 HydrophobicContact CG2-CD2 4.48Å; T230-F273 HydrophobicContact CG2-CE1 3.93Å; T230-F273 HydrophobicContact CG2-CE2 3.6Å; T230-F273 HydrophobicContact CG2-CZ 3.29Å; T230-L323 VanDerWaalsContact CB-CD1 3.48Å; T230-L323 HydrophobicContact CG2-CD1 3.69Å
231M91.3Very high80.4Confident0 Ų052.4 Ų52.40%027%0.272CS..SBendtrans-128.3138.4171.6-71.5-169.4-174.500110.7F215 R221 Y229 E235 V236 T253 I255 F273 M275 N319 L323F215-M231 HydrophobicContact CE1-CE 4.29Å; F215-M231 HydrophobicContact CZ-CE 3.77Å; F215-M231 HydrophobicContact CZ-CG 4.24Å; F215-M231 HydrophobicContact CZ-SD 3.89Å; R221-M231 VanDerWaalsContact NH2-C 3.28Å; R221-M231 VanDerWaalsContact NH2-N 3.19Å; Y229-M231 WeakPolarHBondContact CD2-O 3.34Å; M231-E235 VanDerWaalsContact CA-OE2 3.23Å; M231-E235 WeakPolarHBondContact CA-OE2 3.23Å; M231-E235 HydrophobicContact CB-CB 4.07Å; M231-E235 HydrophobicContact CG-CB 4.42Å; M231-V236 HydrophobicContact CB-CG2 3.72Å; M231-T253 HydrophobicContact CE-CG2 3.6Å; M231-I255 HydrophobicContact CE-CD1 3.51Å; M231-I255 HydrophobicContact CE-CG1 3.68Å; M231-I255 HydrophobicContact CG-CD1 3.58Å; M231-I255 HydrophobicContact SD-CD1 4.36Å; M231-F273 HydrophobicContact CE-CB 4.02Å; M231-F273 HydrophobicContact CE-CD2 3.8Å; M231-F273 HydrophobicContact CE-CG 4.19Å; M231-M275 HydrophobicContact CE-CE 3.83Å; M231-M275 HydrophobicContact SD-CE 3.64Å; M231-N319 PolarHBondContact O-ND2 2.72Å; M231-L323 HydrophobicContact CB-CD1 4.14Å; M231-L323 HydrophobicContact CB-CD2 4.1Å; M231-L323 HydrophobicContact CE-CD2 4.38Å; M231-L323 HydrophobicContact CG-CD1 4.19Å; M231-L323 HydrophobicContact CG-CD2 3.98Å; M231-L323 HydrophobicContact SD-CD2 3.59Å; M231-L323 VanDerWaalsContact SD-CD2 3.59Å
232S92.2Very high82.3Confident7 Ų751.1 Ų51.15%0.04927%0.268CS..  trans-69.9161.8170.678.40000110.6R234 E235 V236 P298S232-R234 PolarHBondContact O-N 3.23Å; S232-R234 PolarHBondContact OG-N 3.09Å; S232-E235 PolarHBondContact N-OE2 3.11Å; S232-E235 WeakPolarHBondContact O-CB 3.29Å; S232-E235 PolarHBondContact O-N 2.66Å; S232-E235 WeakPolarHBondContact OG-CG 3.03Å; S232-E235 PolarHBondContact OG-N 2.89Å; S232-E235 VanDerWaalsContact OG-N 3.08Å; S232-V236 WeakPolarHBondContact O-CG2 3.3Å; S232-V236 PolarHBondContact O-N 3.17Å; S232-P298 CarbonylContact C-O 3.49Å; S232-P298 VanDerWaalsContact CA-O 3.25Å; S232-P298 WeakPolarHBondContact CA-O 3.3Å
233N93.8Very high84.5Confident10 Ų1043.6 Ų43.65%0.05324%0.236CC..Hα-helixtrans-57.4-34.1173.255.115000112.3L237 I292 D297 P298 L300 N319N233-L237 VanDerWaalsContact O-CB 3.24Å; N233-L237 WeakPolarHBondContact O-CB 3.47Å; N233-L237 PolarHBondContact O-N 3.36Å; N233-I292 VanDerWaalsContact C-CD1 3.49Å; N233-I292 HydrophobicContact CB-CD1 4.08Å; N233-I292 WeakPolarHBondContact O-CD1 3.4Å; N233-I292 WeakPolarHBondContact OD1-CG2 3.38Å; N233-D297 PolarHBondContact ND2-O 2.91Å; N233-P298 PolarHBondContact N-O 3.47Å; N233-L300 VanDerWaalsContact CB-O 3.29Å; N233-L300 WeakPolarHBondContact CB-O 3.32Å; N233-L300 PolarHBondContact ND2-O 2.96Å; N233-N319 PolarHBondContact N-ND2 2.91Å; N233-N319 VanDerWaalsContact N-ND2 3.1Å
234R93.5Very high86.9Confident71 Ų7139 Ų3927%0.26821%0.21SC..Hα-helixtrans-66.7-42.5173.9-63-176.2175.9176.1-5.3111.8S232 Q238 I292 D294S232-R234 PolarHBondContact O-N 3.23Å; S232-R234 PolarHBondContact OG-N 3.09Å; R234-Q238 WeakPolarHBondContact O-CB 3.46Å; R234-Q238 PolarHBondContact O-N 2.78Å; R234-I292 HydrophobicContact CB-CD1 4.33Å; R234-I292 HydrophobicContact CG-CB 4.29Å; R234-I292 HydrophobicContact CG-CD1 3.81Å; R234-I292 HydrophobicContact CG-CG2 3.96Å; R234-D294 IonicContact CZ-OD1 3.36Å; R234-D294 IonicContact NH1-OD1 3.38Å; R234-D294 IonicContact NH2-OD1 3.59Å; R234-D294 PolarHBondContact NH2-OD1 3.28Å
235E94.7Very high88.9Confident5 Ų541 Ų412%0.02321%0.214CC..Hα-helixtrans-67.9-45.7177.1-71.5167.5170.300111.4K154 F215 R221 M231 S232 L237 Q238 A239K154-E235 WeakPolarHBondContact CE-OE1 3.45Å; K154-E235 IonicContact NZ-OE1 2.61Å; K154-E235 PolarHBondContact NZ-OE1 2.93Å; F215-E235 HydrophobicContact CD2-CG 4.37Å; F215-E235 HydrophobicContact CE2-CB 4.04Å; F215-E235 HydrophobicContact CE2-CG 3.74Å; F215-E235 HydrophobicContact CZ-CB 3.82Å; F215-E235 HydrophobicContact CZ-CG 4.05Å; R221-E235 IonicContact CZ-OE2 2.63Å; R221-E235 IonicContact NH1-OE1 2.67Å; R221-E235 PolarHBondContact NH1-OE1 2.83Å; R221-E235 VanDerWaalsContact NH1-OE1 3.14Å; R221-E235 IonicContact NH1-OE2 2.97Å; R221-E235 PolarHBondContact NH1-OE2 3.43Å; R221-E235 IonicContact NH2-OE2 2.78Å; R221-E235 PolarHBondContact NH2-OE2 3.33Å; M231-E235 VanDerWaalsContact CA-OE2 3.23Å; M231-E235 WeakPolarHBondContact CA-OE2 3.23Å; M231-E235 HydrophobicContact CB-CB 4.07Å; M231-E235 HydrophobicContact CG-CB 4.42Å; S232-E235 PolarHBondContact N-OE2 3.11Å; S232-E235 WeakPolarHBondContact O-CB 3.29Å; S232-E235 PolarHBondContact O-N 2.66Å; S232-E235 WeakPolarHBondContact OG-CG 3.03Å; S232-E235 PolarHBondContact OG-N 2.89Å; S232-E235 VanDerWaalsContact OG-N 3.08Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 2.7Å; E235-Q238 PolarHBondContact O-N 2.77Å; E235-A239 WeakPolarHBondContact O-CB 3.23Å; E235-A239 PolarHBondContact O-N 3.23Å
236V96.3Very high90.5Very high0 Ų033 Ų330%017%0.174CC..Hα-helixtrans-57.4-47.1174.4168.90000110.4M231 S232 A239 T240 M275 N319 F322 L323M231-V236 HydrophobicContact CB-CG2 3.72Å; S232-V236 WeakPolarHBondContact O-CG2 3.3Å; S232-V236 PolarHBondContact O-N 3.17Å; V236-A239 PolarHBondContact O-N 3.24Å; V236-T240 WeakPolarHBondContact O-CB 3.33Å; V236-T240 PolarHBondContact O-N 2.64Å; V236-T240 PolarHBondContact O-OG1 3.47Å; V236-M275 HydrophobicContact CG1-SD 4.39Å; V236-N319 HydrophobicContact CG2-CB 3.88Å; V236-F322 HydrophobicContact CG1-CB 4.39Å; V236-F322 HydrophobicContact CG1-CD2 3.94Å; V236-L323 HydrophobicContact CG2-CD2 4.26Å
237L97.2Very high91.9Very high23 Ų2334 Ų3412%0.1219%0.193CC..Hα-helixtrans-61.6-48.4179.3178.763.1000111.4N233 E235 T240 E241 F283 L288 T290 I292N233-L237 VanDerWaalsContact O-CB 3.24Å; N233-L237 WeakPolarHBondContact O-CB 3.47Å; N233-L237 PolarHBondContact O-N 3.36Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 2.7Å; L237-T240 PolarHBondContact O-N 2.96Å; L237-E241 WeakPolarHBondContact O-CB 3.44Å; L237-E241 PolarHBondContact O-N 2.65Å; L237-F283 HydrophobicContact CD1-CD2 4.13Å; L237-F283 HydrophobicContact CD1-CE2 4.23Å; L237-L288 HydrophobicContact CD1-CD2 3.92Å; L237-L288 HydrophobicContact CD1-CG 4.44Å; L237-T290 HydrophobicContact CD1-CG2 3.87Å; L237-T290 WeakPolarHBondContact CD2-O 3.2Å; L237-I292 HydrophobicContact CB-CD1 4.25Å; L237-I292 HydrophobicContact CD2-CD1 3.86Å; L237-I292 HydrophobicContact CD2-CG1 4.47Å
238Q96.9Very high93.3Very high41 Ų4133 Ų3319%0.19218%0.179CC..Hα-helixtrans-63.7-45.3179.4-177.4172.163.600111.9V187 R234 E235 T240 E241 L242V187-Q238 PolarHBondContact O-NE2 3.38Å; R234-Q238 WeakPolarHBondContact O-CB 3.46Å; R234-Q238 PolarHBondContact O-N 2.78Å; E235-Q238 PolarHBondContact O-N 2.77Å; Q238-T240 VanDerWaalsContact C-N 3.31Å; Q238-T240 PolarHBondContact O-N 2.76Å; Q238-E241 PolarHBondContact O-N 2.8Å; Q238-L242 HydrophobicContact CG-CD1 4Å; Q238-L242 WeakPolarHBondContact O-CB 3.4Å; Q238-L242 WeakPolarHBondContact O-CG 3.46Å; Q238-L242 PolarHBondContact O-N 3.45Å
239A97.7Very high94.3Very high0 Ų029 Ų290%017%0.167CC..Hα-helixtrans-60.2-42.3175.800000111.4E235 V236 L242 Q243 T253 M275E235-A239 WeakPolarHBondContact O-CB 3.23Å; E235-A239 PolarHBondContact O-N 3.23Å; V236-A239 PolarHBondContact O-N 3.24Å; A239-L242 PolarHBondContact O-N 2.77Å; A239-Q243 WeakPolarHBondContact O-CB 3.31Å; A239-Q243 PolarHBondContact O-N 2.85Å; A239-T253 HydrophobicContact CB-CG2 3.83Å; A239-M275 HydrophobicContact CB-CE 4.1Å; A239-M275 HydrophobicContact CB-CG 3.93Å; A239-M275 HydrophobicContact CB-SD 3.9Å
240T98Very high95Very high0 Ų028.5 Ų28.50%017%0.166CC..Hα-helixtrans-68.3-43.2179.4-59.90000112.1V236 L237 Q238 Q243 A244 M275 C279 V280 F283V236-T240 WeakPolarHBondContact O-CB 3.33Å; V236-T240 PolarHBondContact O-N 2.64Å; V236-T240 PolarHBondContact O-OG1 3.47Å; L237-T240 PolarHBondContact O-N 2.96Å; Q238-T240 VanDerWaalsContact C-N 3.31Å; Q238-T240 PolarHBondContact O-N 2.76Å; T240-Q243 PolarHBondContact O-N 3.47Å; T240-A244 VanDerWaalsContact O-CB 3.28Å; T240-A244 WeakPolarHBondContact O-CB 3.27Å; T240-A244 PolarHBondContact O-N 2.75Å; T240-M275 WeakPolarHBondContact OG1-CG 3.47Å; T240-C279 PolarHBondContact OG1-SG 3.22Å; T240-V280 HydrophobicContact CG2-CG2 4.21Å; T240-F283 HydrophobicContact CG2-CB 3.51Å; T240-F283 HydrophobicContact CG2-CD1 4.29Å; T240-F283 HydrophobicContact CG2-CG 3.9Å
241E97.4Very high95.6Very high76 Ų7626.6 Ų26.636%0.35515%0.154SC..Hα-helixtrans-59.5-47.6175.9178.3171.5-154.700110.7L237 Q238 A244 E245 F283L237-E241 WeakPolarHBondContact O-CB 3.44Å; L237-E241 PolarHBondContact O-N 2.65Å; Q238-E241 PolarHBondContact O-N 2.8Å; E241-A244 PolarHBondContact O-N 2.96Å; E241-E245 PolarHBondContact O-N 3.12Å; E241-F283 HydrophobicContact CB-CE1 4.31Å; E241-F283 HydrophobicContact CB-CE2 4.16Å; E241-F283 HydrophobicContact CB-CZ 3.77Å; E241-F283 HydrophobicContact CG-CE1 4.44Å; E241-F283 HydrophobicContact CG-CZ 3.8Å
242L97.5Very high95.9Very high11 Ų1126.6 Ų26.66%0.05815%0.154CC..Hα-helixtrans-72.4-36-178.4-68.4173.4000112.6F158 L189 L213 Q238 A239 A244 E245 G246 W251F158-L242 HydrophobicContact CE1-CD1 4.05Å; F158-L242 HydrophobicContact CE1-CD2 3.89Å; F158-L242 HydrophobicContact CE1-CG 4.48Å; F158-L242 HydrophobicContact CZ-CD1 4.46Å; F158-L242 HydrophobicContact CZ-CD2 4.05Å; L189-L242 HydrophobicContact CD1-CD1 4.05Å; L213-L242 HydrophobicContact CD1-CD1 3.8Å; L213-L242 HydrophobicContact CD2-CD1 3.56Å; L213-L242 HydrophobicContact CG-CD1 4.19Å; Q238-L242 HydrophobicContact CG-CD1 4Å; Q238-L242 WeakPolarHBondContact O-CB 3.4Å; Q238-L242 WeakPolarHBondContact O-CG 3.46Å; Q238-L242 PolarHBondContact O-N 3.45Å; A239-L242 PolarHBondContact O-N 2.77Å; L242-A244 VanDerWaalsContact C-N 3.33Å; L242-A244 PolarHBondContact O-N 2.98Å; L242-E245 PolarHBondContact O-N 2.77Å; L242-G246 PolarHBondContact O-N 2.82Å; L242-W251 HydrophobicContact CB-CZ2 4.11Å
243Q98Very high96.2Very high18 Ų1826.3 Ų26.38%0.08415%0.152CC..Hα-helixtrans-62.4-41170.7179163.4-32.800111.6A239 T240 E245 G246 W251 M275 V280A239-Q243 WeakPolarHBondContact O-CB 3.31Å; A239-Q243 PolarHBondContact O-N 2.85Å; T240-Q243 PolarHBondContact O-N 3.47Å; Q243-E245 VanDerWaalsContact C-N 3.3Å; Q243-E245 PolarHBondContact O-N 2.79Å; Q243-G246 PolarHBondContact O-N 2.76Å; Q243-W251 HydrophobicContact CB-CB 4.47Å; Q243-W251 VanDerWaalsContact CB-CD1 3.4Å; Q243-W251 HydrophobicContact CB-CD2 4.48Å; Q243-W251 HydrophobicContact CB-CG 3.89Å; Q243-W251 HydrophobicContact CG-CB 3.77Å; Q243-W251 HydrophobicContact CG-CG 3.74Å; Q243-M275 PolarHBondContact NE2-O 3.47Å; Q243-M275 VanDerWaalsContact OE1-CB 3.29Å; Q243-V280 HydrophobicContact CG-CG2 4.04Å
244A96.9Very high96.4Very high24 Ų2425.8 Ų25.820%0.19815%0.149CC..Hα-helixtrans-65.8-32.8175.500000112.6T240 E241 L242 V280 F283T240-A244 VanDerWaalsContact O-CB 3.28Å; T240-A244 WeakPolarHBondContact O-CB 3.27Å; T240-A244 PolarHBondContact O-N 2.75Å; E241-A244 PolarHBondContact O-N 2.96Å; L242-A244 VanDerWaalsContact C-N 3.33Å; L242-A244 PolarHBondContact O-N 2.98Å; A244-V280 HydrophobicContact CB-CG1 4.16Å; A244-F283 HydrophobicContact CB-CD1 3.89Å; A244-F283 HydrophobicContact CB-CE1 3.87Å
245E95.6Very high96.4Very high87 Ų8722.4 Ų22.441%0.40714%0.136SC..Hα-helixtrans-73.5-39.1174-172.4-170.512700112.6R191 R210 E241 L242 Q243 G247R191-E245 IonicContact NH2-OE1 3.58Å; R191-E245 PolarHBondContact NH2-OE1 2.83Å; R191-E245 VanDerWaalsContact NH2-OE1 3.09Å; R191-E245 IonicContact NH2-OE2 3.43Å; R210-E245 IonicContact CZ-OE1 2.72Å; R210-E245 VanDerWaalsContact CZ-OE1 3.29Å; R210-E245 IonicContact NH1-OE1 3.11Å; R210-E245 PolarHBondContact NH1-OE1 2.66Å; R210-E245 IonicContact NH2-OE1 3.23Å; R210-E245 PolarHBondContact NH2-OE1 3.17Å; E241-E245 PolarHBondContact O-N 3.12Å; L242-E245 PolarHBondContact O-N 2.77Å; Q243-E245 VanDerWaalsContact C-N 3.3Å; Q243-E245 PolarHBondContact O-N 2.79Å; E245-G247 PolarHBondContact O-N 2.77Å
246G93.2Very high96.3Very high11 Ų1122.2 Ų22.211%0.11314%0.135CC..Hα-helixtrans-60.8-29.3-173.300000114.7L242 Q243 I248 W251L242-G246 PolarHBondContact O-N 2.82Å; Q243-G246 PolarHBondContact O-N 2.76Å; G246-I248 PolarHBondContact O-N 2.77Å; G246-W251 VanDerWaalsContact CA-CZ3 3.47Å
247G89.8Confident95.8Very high63 Ų6323.9 Ų23.965%0.64914%0.143SC*.  trans68.518.1170.100000115.1E245E245-G247 PolarHBondContact O-N 2.77Å
248I95.6Very high95.1Very high14 Ų1425.4 Ų25.47%0.07215%0.15CC..  trans-116.2141.5170.860168.8000110.7V163 V211 G246 E250 W251V163-I248 HydrophobicContact CG2-CD1 4.1Å; V211-I248 HydrophobicContact CB-CD1 4.14Å; V211-I248 HydrophobicContact CG1-CD1 4.19Å; G246-I248 PolarHBondContact O-N 2.77Å; I248-E250 VanDerWaalsContact C-N 3.28Å; I248-E250 PolarHBondContact O-N 3.14Å; I248-W251 HydrophobicContact CD1-CB 4.5Å; I248-W251 HydrophobicContact CD1-CE3 4.37Å; I248-W251 HydrophobicContact CG1-CB 4.01Å; I248-W251 HydrophobicContact CG1-CE3 4.1Å
249P96.1Very high94Very high74 Ų7427.3 Ų27.348%0.48116%0.16SC..THydrogen-bonded Turntrans-61.2-35.5172.8-22.932.7000113.2L127 W251 Q274L127-P249 HydrophobicContact CB-CB 4.48Å; L127-P249 WeakPolarHBondContact CB-O 3.48Å; L127-P249 HydrophobicContact CD1-CB 4Å; P249-W251 VanDerWaalsContact C-N 3.26Å; P249-W251 PolarHBondContact O-N 3.08Å; P249-Q274 PolarHBondContact O-NE2 2.99Å
250E97.8Very high92.8Very high24 Ų2432 Ų3211%0.11219%0.188CC..THydrogen-bonded Turntrans-87.117.1-172.7-55.282.4177.400113.3C128 V163 K168 V170 I248 V252C128-E250 HydrophobicContact CB-CB 4.13Å; C128-E250 WeakPolarHBondContact CB-O 3.45Å; V163-E250 HydrophobicContact CG1-CB 3.92Å; V163-E250 HydrophobicContact CG1-CG 3.76Å; K168-E250 HydrophobicContact CB-CG 4.28Å; K168-E250 IonicContact NZ-OE1 3.11Å; V170-E250 HydrophobicContact CG2-CB 3.88Å; V170-E250 VanDerWaalsContact CG2-O 3.3Å; V170-E250 WeakPolarHBondContact CG2-O 2.93Å; I248-E250 VanDerWaalsContact C-N 3.28Å; I248-E250 PolarHBondContact O-N 3.14Å; E250-V252 PolarHBondContact O-N 3Å
251W98.5Very high91.4Very high0 Ų033.4 Ų33.40%020%0.203CC..  trans-54.8137-177.9-177-87.7000112.3R210 V211 L213 L242 Q243 G246 I248 P249 Q274R210-W251 HydrophobicContact CG-CH2 3.9Å; R210-W251 HydrophobicContact CG-CZ3 3.91Å; V211-W251 WeakPolarHBondContact O-CA 3.21Å; L213-W251 HydrophobicContact CB-CZ2 4.17Å; L242-W251 HydrophobicContact CB-CZ2 4.11Å; Q243-W251 HydrophobicContact CB-CB 4.47Å; Q243-W251 VanDerWaalsContact CB-CD1 3.4Å; Q243-W251 HydrophobicContact CB-CD2 4.48Å; Q243-W251 HydrophobicContact CB-CG 3.89Å; Q243-W251 HydrophobicContact CG-CB 3.77Å; Q243-W251 HydrophobicContact CG-CG 3.74Å; G246-W251 VanDerWaalsContact CA-CZ3 3.47Å; I248-W251 HydrophobicContact CD1-CB 4.5Å; I248-W251 HydrophobicContact CD1-CE3 4.37Å; I248-W251 HydrophobicContact CG1-CB 4.01Å; I248-W251 HydrophobicContact CG1-CE3 4.1Å; P249-W251 VanDerWaalsContact C-N 3.26Å; P249-W251 PolarHBondContact O-N 3.08Å; W251-Q274 WeakPolarHBondContact O-CG 3.46Å; W251-Q274 PolarHBondContact O-NE2 3.33Å
252V98.2Very high90.3Very high0 Ų038.6 Ų38.60%023%0.233CC..EExtended strand (participates in β ladder)trans-117137.7-179.61780000110.9C128 A131 V170 V211 G212 L213 E250 A272C128-V252 HydrophobicContact CB-CG2 4.12Å; C128-V252 WeakPolarHBondContact SG-CG2 3.18Å; A131-V252 HydrophobicContact CB-CG1 3.91Å; A131-V252 HydrophobicContact CB-CG2 4.07Å; V170-V252 HydrophobicContact CB-CG2 4.13Å; V170-V252 HydrophobicContact CG1-CG2 4.3Å; V170-V252 HydrophobicContact CG2-CG2 4.06Å; V211-V252 PolarHBondContact O-N 3.38Å; V211-V252 VanDerWaalsContact O-N 3.12Å; G212-V252 CarbonylContact C-O 3.56Å; G212-V252 WeakPolarHBondContact CA-O 3.4Å; L213-V252 PolarHBondContact N-O 3.5Å; E250-V252 PolarHBondContact O-N 3Å; V252-A272 HydrophobicContact CG1-CB 4.14Å
253T98.3Very high89.3Confident0 Ų044.3 Ų44.30%026%0.263CS..EExtended strand (participates in β ladder)trans-114115.7167.7-58.10000109L213 F215 M231 A239 F273L213-T253 HydrophobicContact CD2-CG2 4.5Å; L213-T253 CarbonylContact O-C 3.55Å; L213-T253 VanDerWaalsContact O-CA 3.31Å; L213-T253 WeakPolarHBondContact O-CA 3.38Å; F215-T253 HydrophobicContact CD1-CG2 4.14Å; F215-T253 HydrophobicContact CE1-CG2 3.39Å; F215-T253 HydrophobicContact CZ-CG2 4.14Å; M231-T253 HydrophobicContact CE-CG2 3.6Å; A239-T253 HydrophobicContact CB-CG2 3.83Å; T253-F273 WeakPolarHBondContact CA-O 3.23Å; T253-F273 PolarHBondContact N-O 2.82Å; T253-F273 PolarHBondContact O-N 3.04Å; T253-F273 VanDerWaalsContact O-O 3.13Å
254A97.6Very high87.8Confident0 Ų046.2 Ų46.20%029%0.288CS..EExtended strand (participates in β ladder)trans-98.5140.3177.800000111.1F133 L159 L213 V214 F215 F270 E271F133-A254 HydrophobicContact CE1-CB 3.97Å; F133-A254 HydrophobicContact CZ-CB 3.78Å; L159-A254 HydrophobicContact CD1-CB 4.14Å; L213-A254 PolarHBondContact O-N 3.43Å; V214-A254 CarbonylContact C-O 3.58Å; V214-A254 VanDerWaalsContact CA-O 3.28Å; V214-A254 WeakPolarHBondContact CA-O 3.46Å; V214-A254 HydrophobicContact CB-CB 4.05Å; V214-A254 HydrophobicContact CG2-CB 3.99Å; F215-A254 PolarHBondContact N-O 3.45Å; A254-F270 HydrophobicContact CB-CD1 4.19Å; A254-F270 HydrophobicContact CB-CE1 4.49Å; A254-E271 CarbonylContact C-O 3.22Å; A254-E271 VanDerWaalsContact CA-O 3.27Å; A254-E271 WeakPolarHBondContact CA-O 3.27Å
255I93.9Very high86.4Confident0 Ų047.9 Ų47.90%030%0.298CS..EExtended strand (participates in β ladder)trans-113.2130.8172.9-55.5-177.2000108.1F215 Q217 T230 M231 F270 E271 F273F215-I255 HydrophobicContact CE2-CD1 4.28Å; F215-I255 HydrophobicContact CE2-CG1 3.88Å; F215-I255 HydrophobicContact CE2-CG2 4.49Å; F215-I255 HydrophobicContact CZ-CD1 4.37Å; F215-I255 HydrophobicContact CZ-CG1 3.97Å; F215-I255 WeakPolarHBondContact O-CA 3.28Å; Q217-I255 HydrophobicContact CG-CG2 3.6Å; T230-I255 HydrophobicContact CG2-CD1 4.29Å; M231-I255 HydrophobicContact CE-CD1 3.51Å; M231-I255 HydrophobicContact CE-CG1 3.68Å; M231-I255 HydrophobicContact CG-CD1 3.58Å; M231-I255 HydrophobicContact SD-CD1 4.36Å; I255-F270 CarbonylContact O-C 3.57Å; I255-F270 WeakPolarHBondContact O-CA 3.34Å; I255-E271 HydrophobicContact CB-CB 4.43Å; I255-E271 PolarHBondContact N-O 2.85Å; I255-E271 PolarHBondContact O-N 3.23Å; I255-F273 HydrophobicContact CD1-CD2 3.92Å; I255-F273 HydrophobicContact CD1-CE2 3.75Å; I255-F273 HydrophobicContact CG1-CD2 4.22Å; I255-F273 HydrophobicContact CG1-CE2 4.32Å
256V92.1Very high85.2Confident0 Ų046 Ų460%030%0.302CS..EExtended strand (participates in β ladder)trans-106.9120170.7-176.30000109F141 Q142 F151 V214 F215 T216 Q217 V268 H269 F270F141-V256 HydrophobicContact CD1-CG2 3.98Å; F141-V256 HydrophobicContact CE1-CB 4.31Å; F141-V256 HydrophobicContact CE1-CG2 3.82Å; Q142-V256 HydrophobicContact CG-CG1 4.24Å; F151-V256 HydrophobicContact CE1-CG1 4.13Å; F151-V256 HydrophobicContact CZ-CG1 4.31Å; V214-V256 HydrophobicContact CG2-CG2 3.63Å; F215-V256 PolarHBondContact O-N 3.5Å; T216-V256 CarbonylContact C-O 3.49Å; T216-V256 VanDerWaalsContact CA-O 3.32Å; T216-V256 WeakPolarHBondContact CA-O 3.4Å; T216-V256 HydrophobicContact CG2-CB 4.26Å; Q217-V256 PolarHBondContact N-O 2.83Å; V256-V268 HydrophobicContact CG1-CG1 3.39Å; V256-H269 WeakPolarHBondContact CA-O 3.42Å; V256-F270 HydrophobicContact CG2-CD1 3.67Å; V256-F270 HydrophobicContact CG2-CD2 4.46Å; V256-F270 HydrophobicContact CG2-CE1 3.28Å; V256-F270 HydrophobicContact CG2-CE2 4.14Å; V256-F270 HydrophobicContact CG2-CG 4.26Å; V256-F270 HydrophobicContact CG2-CZ 3.54Å
257K85Confident84.3Confident36 Ų3649.8 Ų49.816%0.15732%0.32CS..EExtended strand (participates in β ladder)trans-127.7151.1-17860175.7-173167.80111Q217 E259 V268 H269 E271Q217-K257 HydrophobicContact CB-CB 4.43Å; K257-E259 WeakPolarHBondContact CE-OE1 3.48Å; K257-E259 IonicContact NZ-OE1 3.65Å; K257-E259 PolarHBondContact NZ-OE1 2.71Å; K257-V268 WeakPolarHBondContact O-CA 3.35Å; K257-H269 HydrophobicContact CG-CB 4.32Å; K257-H269 PolarHBondContact N-O 2.84Å; K257-H269 PolarHBondContact O-N 2.88Å; K257-E271 HydrophobicContact CD-CG 4.48Å; K257-E271 VanDerWaalsContact CE-OE1 3.23Å; K257-E271 WeakPolarHBondContact CE-OE1 3.3Å; K257-E271 IonicContact NZ-OE1 4Å; K257-E271 PolarHBondContact NZ-OE1 2.74Å
258L82.3Confident83.9Confident54 Ų5447.9 Ų47.928%0.28330%0.295SS..EExtended strand (participates in β ladder)trans-91.4116.9169.6-173.470.1000108.6F151 V219 V260 V268F151-L258 HydrophobicContact CD1-CB 4.3Å; F151-L258 HydrophobicContact CD2-CB 3.95Å; F151-L258 HydrophobicContact CD2-CD1 4.38Å; F151-L258 HydrophobicContact CD2-CD2 4.2Å; F151-L258 HydrophobicContact CD2-CG 4.42Å; F151-L258 HydrophobicContact CE1-CB 4.26Å; F151-L258 HydrophobicContact CE2-CB 3.94Å; F151-L258 HydrophobicContact CE2-CD1 3.96Å; F151-L258 HydrophobicContact CE2-CG 4.39Å; F151-L258 HydrophobicContact CG-CB 4.15Å; F151-L258 HydrophobicContact CZ-CB 4.1Å; V219-L258 HydrophobicContact CG2-CB 4.12Å; V219-L258 HydrophobicContact CG2-CD2 3.73Å; L258-V260 HydrophobicContact CD2-CG2 4.3Å; L258-V260 HydrophobicContact CG-CG2 4.4Å; L258-V268 HydrophobicContact CD1-CG2 4.01Å
259E75.1Confident83.2Confident82 Ų8250.1 Ų50.138%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-93.5122.6165.3-64.9-171175.800108.7K257 G266 D267 H269K257-E259 WeakPolarHBondContact CE-OE1 3.48Å; K257-E259 IonicContact NZ-OE1 3.65Å; K257-E259 PolarHBondContact NZ-OE1 2.71Å; E259-G266 CarbonylContact O-C 3.47Å; E259-G266 WeakPolarHBondContact O-CA 3.45Å; E259-D267 PolarHBondContact N-O 3.39Å; E259-D267 PolarHBondContact O-N 3.31Å; E259-H269 VanDerWaalsContact CG-CD2 3.47Å; E259-H269 WeakPolarHBondContact CG-CD2 3.32Å; E259-H269 IonicContact OE2-CD2 3.17Å; E259-H269 PolarHBondContact OE2-CD2 3.49Å; E259-H269 IonicContact OE2-NE2 3.53Å
260V72.9Confident82.9Confident97 Ų9748.3 Ų48.359%0.58829%0.29SS*.EExtended strand (participates in β ladder)trans-92.4115.7174.6-175.40000107.3L258 S265L258-V260 HydrophobicContact CD2-CG2 4.3Å; L258-V260 HydrophobicContact CG-CG2 4.4Å; V260-S265 CarbonylContact C-O 3.48Å; V260-S265 WeakPolarHBondContact CA-O 3.38Å
261G68.2Low82.6Confident31 Ų3149.7 Ų49.732%0.3230%0.297SS..  trans-69.1165.9173.300000112.4D263 G264 S265G261-D263 PolarHBondContact O-N 3.47Å; G261-G264 PolarHBondContact O-N 2.87Å; G261-S265 PolarHBondContact N-O 3.23Å
262D74.2Confident82.4Confident185 Ų18549.9 Ų49.999%0.98930%0.299SS*.THydrogen-bonded Turntrans-61.7-24.2-179.7-67-25.1000113.2G264D262-G264 VanDerWaalsContact C-N 3.28Å
263D75.7Confident82.4Confident130 Ų13050.8 Ų50.870%0.69530%0.302SS*.THydrogen-bonded Turntrans-84.10.1176.167.6-17.1000113.4G261 S265G261-D263 PolarHBondContact O-N 3.47Å; D263-S265 VanDerWaalsContact CG-OG 3.3Å; D263-S265 PolarHBondContact O-N 2.79Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 3.08Å; D263-S265 PolarHBondContact OD1-OG 3.49Å; D263-S265 PolarHBondContact OD2-OG 2.81Å
264G66.9Low82.4Confident58 Ų5850.9 Ų50.960%0.59830%0.303SS*.SBendtrans78.34.4-17500000113.8G261 D262G261-G264 PolarHBondContact O-N 2.87Å; D262-G264 VanDerWaalsContact C-N 3.28Å
265S68Low82.4Confident59 Ų5950.9 Ų50.941%0.41330%0.303SS..  trans-67.9136.8169.168.60000109.5V260 G261 D263V260-S265 CarbonylContact C-O 3.48Å; V260-S265 WeakPolarHBondContact CA-O 3.38Å; G261-S265 PolarHBondContact N-O 3.23Å; D263-S265 VanDerWaalsContact CG-OG 3.3Å; D263-S265 PolarHBondContact O-N 2.79Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 3.08Å; D263-S265 PolarHBondContact OD1-OG 3.49Å; D263-S265 PolarHBondContact OD2-OG 2.81Å
266G69.9Low82.5Confident48 Ų4850.9 Ų50.950%0.49530%0.303SS..EExtended strand (participates in β ladder)trans-100.2115.8174.400000109.3E259E259-G266 CarbonylContact O-C 3.47Å; E259-G266 WeakPolarHBondContact O-CA 3.45Å
267D74Confident82.7Confident91 Ų9156.3 Ų56.349%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-100.6138.8170.1-163.811.5000109.9E259 H269E259-D267 PolarHBondContact N-O 3.39Å; E259-D267 PolarHBondContact O-N 3.31Å; D267-H269 WeakPolarHBondContact CB-NE2 3.11Å; D267-H269 IonicContact OD2-CE1 3.9Å; D267-H269 PolarHBondContact OD2-CE1 2.82Å; D267-H269 IonicContact OD2-NE2 2.71Å; D267-H269 PolarHBondContact OD2-NE2 2.82Å; D267-H269 VanDerWaalsContact OD2-NE2 3.11Å
268V81.3Confident83.2Confident22 Ų2256.1 Ų56.113%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-98.1120.5-179.2-1770000108.2Q142 A146 F151 V256 K257 L258Q142-V268 HydrophobicContact CB-CB 4.46Å; Q142-V268 HydrophobicContact CB-CG1 3.98Å; Q142-V268 HydrophobicContact CG-CB 4.39Å; Q142-V268 HydrophobicContact CG-CG1 3.62Å; Q142-V268 PolarHBondContact OE1-O 2.83Å; A146-V268 HydrophobicContact CB-CG2 4.3Å; F151-V268 HydrophobicContact CE2-CG2 3.92Å; F151-V268 HydrophobicContact CZ-CB 4.43Å; F151-V268 HydrophobicContact CZ-CG1 3.8Å; F151-V268 HydrophobicContact CZ-CG2 3.78Å; V256-V268 HydrophobicContact CG1-CG1 3.39Å; K257-V268 WeakPolarHBondContact O-CA 3.35Å; L258-V268 HydrophobicContact CD1-CG2 4.01Å
269H81.8Confident84Confident61 Ų6153.5 Ų53.528%0.28232%0.315SS..EExtended strand (participates in β ladder)trans-116.9142.5-178-67.5-75.1000112V256 K257 E259 D267V256-H269 WeakPolarHBondContact CA-O 3.42Å; K257-H269 HydrophobicContact CG-CB 4.32Å; K257-H269 PolarHBondContact N-O 2.84Å; K257-H269 PolarHBondContact O-N 2.88Å; E259-H269 VanDerWaalsContact CG-CD2 3.47Å; E259-H269 WeakPolarHBondContact CG-CD2 3.32Å; E259-H269 IonicContact OE2-CD2 3.17Å; E259-H269 PolarHBondContact OE2-CD2 3.49Å; E259-H269 IonicContact OE2-NE2 3.53Å; D267-H269 WeakPolarHBondContact CB-NE2 3.11Å; D267-H269 IonicContact OD2-CE1 3.9Å; D267-H269 PolarHBondContact OD2-CE1 2.82Å; D267-H269 IonicContact OD2-NE2 2.71Å; D267-H269 PolarHBondContact OD2-NE2 2.82Å; D267-H269 VanDerWaalsContact OD2-NE2 3.11Å
270F88.8Confident85Confident36 Ų3650.2 Ų50.216%0.15830%0.3CS..EExtended strand (participates in β ladder)trans-92.1136.8165.9-81.4-96000110.5F133 A138 Q142 V214 A254 I255 V256 I328F133-F270 HydrophobicContact CE1-CE1 4.5Å; A138-F270 HydrophobicContact CB-CE2 3.94Å; A138-F270 HydrophobicContact CB-CZ 3.97Å; Q142-F270 HydrophobicContact CG-CD2 4.38Å; Q142-F270 HydrophobicContact CG-CE2 3.51Å; Q142-F270 HydrophobicContact CG-CZ 4.11Å; V214-F270 HydrophobicContact CG2-CE1 4.08Å; A254-F270 HydrophobicContact CB-CD1 4.19Å; A254-F270 HydrophobicContact CB-CE1 4.49Å; I255-F270 CarbonylContact O-C 3.57Å; I255-F270 WeakPolarHBondContact O-CA 3.34Å; V256-F270 HydrophobicContact CG2-CD1 3.67Å; V256-F270 HydrophobicContact CG2-CD2 4.46Å; V256-F270 HydrophobicContact CG2-CE1 3.28Å; V256-F270 HydrophobicContact CG2-CE2 4.14Å; V256-F270 HydrophobicContact CG2-CG 4.26Å; V256-F270 HydrophobicContact CG2-CZ 3.54Å; F270-I328 HydrophobicContact CB-CD1 3.94Å; F270-I328 VanDerWaalsContact O-CD1 3.23Å; F270-I328 WeakPolarHBondContact O-CD1 3.3Å
271E91.4Very high86.1Confident53 Ų5351.2 Ų51.225%0.24830%0.297CS..EExtended strand (participates in β ladder)trans-118.6149.9159-63.4-175.316300109.1A254 I255 K257 F273A254-E271 CarbonylContact C-O 3.22Å; A254-E271 VanDerWaalsContact CA-O 3.27Å; A254-E271 WeakPolarHBondContact CA-O 3.27Å; I255-E271 HydrophobicContact CB-CB 4.43Å; I255-E271 PolarHBondContact N-O 2.85Å; I255-E271 PolarHBondContact O-N 3.23Å; K257-E271 HydrophobicContact CD-CG 4.48Å; K257-E271 VanDerWaalsContact CE-OE1 3.23Å; K257-E271 WeakPolarHBondContact CE-OE1 3.3Å; K257-E271 IonicContact NZ-OE1 4Å; K257-E271 PolarHBondContact NZ-OE1 2.74Å; E271-F273 HydrophobicContact CB-CD2 4.38Å; E271-F273 HydrophobicContact CB-CE2 3.51Å; E271-F273 HydrophobicContact CB-CZ 4.06Å; E271-F273 WeakPolarHBondContact OE2-CE2 3.4Å
272A95.7Very high87.4Confident5 Ų549.9 Ų49.94%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-130.4133.9-17800000109.4A131 V252 V326 I328A131-A272 HydrophobicContact CB-CB 4.39Å; V252-A272 HydrophobicContact CG1-CB 4.14Å; A272-V326 HydrophobicContact CB-CB 3.99Å; A272-V326 HydrophobicContact CB-CG1 4.44Å; A272-V326 PolarHBondContact O-N 3.32Å; A272-I328 HydrophobicContact CB-CD1 3.78Å; A272-I328 HydrophobicContact CB-CG1 3.61Å
273F97Very high88.5Confident19 Ų1942.6 Ų42.68%0.08324%0.242CC..EExtended strand (participates in β ladder)trans-136.4154.2-179.2-59.6-85.4000109.8T230 M231 T253 I255 E271 M275 L323 V324 P325T230-F273 HydrophobicContact CG2-CD2 4.48Å; T230-F273 HydrophobicContact CG2-CE1 3.93Å; T230-F273 HydrophobicContact CG2-CE2 3.6Å; T230-F273 HydrophobicContact CG2-CZ 3.29Å; M231-F273 HydrophobicContact CE-CB 4.02Å; M231-F273 HydrophobicContact CE-CD2 3.8Å; M231-F273 HydrophobicContact CE-CG 4.19Å; T253-F273 WeakPolarHBondContact CA-O 3.23Å; T253-F273 PolarHBondContact N-O 2.82Å; T253-F273 PolarHBondContact O-N 3.04Å; T253-F273 VanDerWaalsContact O-O 3.13Å; I255-F273 HydrophobicContact CD1-CD2 3.92Å; I255-F273 HydrophobicContact CD1-CE2 3.75Å; I255-F273 HydrophobicContact CG1-CD2 4.22Å; I255-F273 HydrophobicContact CG1-CE2 4.32Å; E271-F273 HydrophobicContact CB-CD2 4.38Å; E271-F273 HydrophobicContact CB-CE2 3.51Å; E271-F273 HydrophobicContact CB-CZ 4.06Å; E271-F273 WeakPolarHBondContact OE2-CE2 3.4Å; F273-M275 HydrophobicContact CB-CE 4.32Å; F273-L323 HydrophobicContact CD1-CB 3.96Å; F273-L323 HydrophobicContact CE1-CB 4.47Å; F273-V324 CarbonylContact C-O 3.58Å; F273-V324 WeakPolarHBondContact CA-O 3.13Å; F273-P325 HydrophobicContact CD1-CB 4.44Å; F273-P325 HydrophobicContact CD1-CG 4.38Å; F273-P325 HydrophobicContact CE1-CB 4.36Å; F273-P325 HydrophobicContact CE1-CG 4.21Å
274Q97.8Very high89.4Confident1 Ų142.6 Ų42.61%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-112.8137161.9179.5170.385.800107.9P126 P249 W251 S276 V324 V326P126-Q274 HydrophobicContact CB-CB 4.21Å; P249-Q274 PolarHBondContact O-NE2 2.99Å; W251-Q274 WeakPolarHBondContact O-CG 3.46Å; W251-Q274 PolarHBondContact O-NE2 3.33Å; Q274-S276 PolarHBondContact O-N 2.9Å; Q274-V324 HydrophobicContact CB-CB 4.49Å; Q274-V324 PolarHBondContact N-O 2.89Å; Q274-V324 WeakPolarHBondContact O-CB 3.33Å; Q274-V324 PolarHBondContact O-N 2.85Å; Q274-V326 HydrophobicContact CB-CG2 3.99Å
275M97.9Very high90.8Very high0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-67.7133170.6-60.9-61100.900108.3M231 V236 A239 T240 Q243 F273 V280 F322 L323M231-M275 HydrophobicContact CE-CE 3.83Å; M231-M275 HydrophobicContact SD-CE 3.64Å; V236-M275 HydrophobicContact CG1-SD 4.39Å; A239-M275 HydrophobicContact CB-CE 4.1Å; A239-M275 HydrophobicContact CB-CG 3.93Å; A239-M275 HydrophobicContact CB-SD 3.9Å; T240-M275 WeakPolarHBondContact OG1-CG 3.47Å; Q243-M275 PolarHBondContact NE2-O 3.47Å; Q243-M275 VanDerWaalsContact OE1-CB 3.29Å; F273-M275 HydrophobicContact CB-CE 4.32Å; M275-V280 HydrophobicContact CB-CG2 4.17Å; M275-F322 CarbonylContact C-O 3.57Å; M275-F322 WeakPolarHBondContact CA-O 3.3Å; M275-L323 HydrophobicContact CE-CD2 3.49Å; M275-L323 VanDerWaalsContact CE-CD2 3.49Å; M275-L323 HydrophobicContact SD-CD2 4.1Å
276S97.2Very high92Very high0 Ų043.1 Ų43.10%023%0.228CC..  trans-59.5150.6-178.470.40000111.2Q274 I278 C279 V280 F322Q274-S276 PolarHBondContact O-N 2.9Å; S276-I278 PolarHBondContact O-N 2.94Å; S276-I278 WeakPolarHBondContact OG-CG2 3.4Å; S276-C279 WeakPolarHBondContact O-CB 3.22Å; S276-C279 PolarHBondContact O-N 3.06Å; S276-C279 PolarHBondContact OG-N 2.88Å; S276-V280 PolarHBondContact O-N 3.01Å; S276-V280 VanDerWaalsContact O-N 3.12Å; S276-F322 PolarHBondContact N-O 2.77Å
277E96.3Very high93.3Very high115 Ų11541 Ų4154%0.53721%0.205SC..Hα-helixtrans-57.4-35.3179.5-67.9-173.681.900111.5L127 V280 K281L127-E277 HydrophobicContact CD1-CG 4.04Å; E277-V280 PolarHBondContact O-N 3.01Å; E277-K281 VanDerWaalsContact O-CB 3.29Å; E277-K281 WeakPolarHBondContact O-CB 3.31Å; E277-K281 PolarHBondContact O-N 2.9Å
278I95.6Very high94.3Very high31 Ų3136.8 Ų36.816%0.15918%0.182CC..Hα-helixtrans-67.2-38.3176.1-171.459.1000111.9I118 V120 S276 K281 L282I118-I278 HydrophobicContact CG2-CD1 4.22Å; V120-I278 HydrophobicContact CG1-CG2 4.18Å; V120-I278 HydrophobicContact CG2-CG1 4.33Å; S276-I278 PolarHBondContact O-N 2.94Å; S276-I278 WeakPolarHBondContact OG-CG2 3.4Å; I278-K281 HydrophobicContact CD1-CD 4.35Å; I278-K281 PolarHBondContact O-N 2.98Å; I278-L282 HydrophobicContact CD1-CG 4.36Å; I278-L282 HydrophobicContact CG1-CD1 4.23Å; I278-L282 HydrophobicContact CG1-CG 4.33Å; I278-L282 WeakPolarHBondContact O-CB 3.47Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å; I278-L282 PolarHBondContact O-N 3.18Å
279C97.4Very high95Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-61-50.3175.2-166.60000111.1T240 S276 K281 L282 F283 F322T240-C279 PolarHBondContact OG1-SG 3.22Å; S276-C279 WeakPolarHBondContact O-CB 3.22Å; S276-C279 PolarHBondContact O-N 3.06Å; S276-C279 PolarHBondContact OG-N 2.88Å; C279-K281 VanDerWaalsContact C-N 3.27Å; C279-K281 PolarHBondContact O-N 3.08Å; C279-L282 PolarHBondContact O-N 3.45Å; C279-F283 PolarHBondContact O-N 3.14Å; C279-F322 HydrophobicContact CB-CB 3.79Å; C279-F322 HydrophobicContact CB-CD1 3.44Å; C279-F322 VanDerWaalsContact CB-CD1 3.44Å; C279-F322 HydrophobicContact CB-CD2 4.46Å; C279-F322 HydrophobicContact CB-CE1 4.07Å; C279-F322 HydrophobicContact CB-CG 3.66Å; C279-F322 WeakPolarHBondContact SG-CG 3.44Å
280V97Very high95.7Very high13 Ų1336.6 Ų36.68%0.07918%0.183CC..Hα-helixtrans-60.7-38.3177.71770000111.4T240 Q243 A244 M275 S276 E277 K284T240-V280 HydrophobicContact CG2-CG2 4.21Å; Q243-V280 HydrophobicContact CG-CG2 4.04Å; A244-V280 HydrophobicContact CB-CG1 4.16Å; M275-V280 HydrophobicContact CB-CG2 4.17Å; S276-V280 PolarHBondContact O-N 3.01Å; S276-V280 VanDerWaalsContact O-N 3.12Å; E277-V280 PolarHBondContact O-N 3.01Å; V280-K284 HydrophobicContact CG1-CD 4.05Å; V280-K284 HydrophobicContact CG1-CG 4.5Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 WeakPolarHBondContact O-CG 3.38Å; V280-K284 PolarHBondContact O-N 3.13Å
281K95.3Very high95.9Very high118 Ų11838 Ų3851%0.51319%0.19SC..Hα-helixtrans-65.4-48.6175.2-176.4-179.8179.2-177.20111.8E277 I278 C279 F283 K284 D285E277-K281 VanDerWaalsContact O-CB 3.29Å; E277-K281 WeakPolarHBondContact O-CB 3.31Å; E277-K281 PolarHBondContact O-N 2.9Å; I278-K281 HydrophobicContact CD1-CD 4.35Å; I278-K281 PolarHBondContact O-N 2.98Å; C279-K281 VanDerWaalsContact C-N 3.27Å; C279-K281 PolarHBondContact O-N 3.08Å; K281-F283 PolarHBondContact O-N 2.87Å; K281-K284 PolarHBondContact O-N 2.78Å; K281-D285 VanDerWaalsContact O-CB 3.31Å; K281-D285 WeakPolarHBondContact O-CB 3.37Å; K281-D285 VanDerWaalsContact O-CG 3.29Å; K281-D285 PolarHBondContact O-N 2.71Å
282L96.2Very high95.9Very high2 Ų237.2 Ų37.21%0.0119%0.188CC..Hα-helixtrans-56.7-40.8176.9-71.3168.9000111.3I118 V120 I278 C279 G286 V287 L288 M303 V307 F322I118-L282 HydrophobicContact CG2-CD2 3.72Å; V120-L282 HydrophobicContact CG2-CD1 3.92Å; I278-L282 HydrophobicContact CD1-CG 4.36Å; I278-L282 HydrophobicContact CG1-CD1 4.23Å; I278-L282 HydrophobicContact CG1-CG 4.33Å; I278-L282 WeakPolarHBondContact O-CB 3.47Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å; I278-L282 PolarHBondContact O-N 3.18Å; C279-L282 PolarHBondContact O-N 3.45Å; L282-G286 PolarHBondContact O-N 2.84Å; L282-V287 HydrophobicContact CB-CB 4.29Å; L282-V287 HydrophobicContact CD2-CB 3.78Å; L282-V287 HydrophobicContact CD2-CG1 3.54Å; L282-V287 HydrophobicContact CD2-CG2 4.39Å; L282-V287 WeakPolarHBondContact O-CA 3.37Å; L282-V287 WeakPolarHBondContact O-CB 3.29Å; L282-V287 PolarHBondContact O-N 3.4Å; L282-L288 HydrophobicContact CB-CB 4.28Å; L282-L288 PolarHBondContact O-N 2.83Å; L282-L288 VanDerWaalsContact O-N 3.09Å; L282-M303 HydrophobicContact CD1-SD 4.05Å; L282-M303 HydrophobicContact CD2-SD 4.46Å; L282-V307 HydrophobicContact CD2-CG1 4.31Å; L282-F322 HydrophobicContact CD1-CE1 3.76Å; L282-F322 HydrophobicContact CD1-CZ 3.82Å
283F97.1Very high95.6Very high33 Ų3338.6 Ų38.615%0.14520%0.202CC..Hα-helixtrans-63.7-51.9173.7173.4-103.6000112.5L237 T240 E241 A244 C279 K281 D285 G286 L288 T290L237-F283 HydrophobicContact CD1-CD2 4.13Å; L237-F283 HydrophobicContact CD1-CE2 4.23Å; T240-F283 HydrophobicContact CG2-CB 3.51Å; T240-F283 HydrophobicContact CG2-CD1 4.29Å; T240-F283 HydrophobicContact CG2-CG 3.9Å; E241-F283 HydrophobicContact CB-CE1 4.31Å; E241-F283 HydrophobicContact CB-CE2 4.16Å; E241-F283 HydrophobicContact CB-CZ 3.77Å; E241-F283 HydrophobicContact CG-CE1 4.44Å; E241-F283 HydrophobicContact CG-CZ 3.8Å; A244-F283 HydrophobicContact CB-CD1 3.89Å; A244-F283 HydrophobicContact CB-CE1 3.87Å; C279-F283 PolarHBondContact O-N 3.14Å; K281-F283 PolarHBondContact O-N 2.87Å; F283-D285 VanDerWaalsContact C-N 3.26Å; F283-D285 PolarHBondContact O-N 3.23Å; F283-G286 PolarHBondContact O-N 3.29Å; F283-L288 HydrophobicContact CB-CB 4.43Å; F283-L288 HydrophobicContact CB-CD2 4.09Å; F283-L288 HydrophobicContact CD2-CD2 4.39Å; F283-T290 HydrophobicContact CE2-CG2 4.33Å
284K95.3Very high95.1Very high130 Ų13044.7 Ų44.757%0.56524%0.236SC*.Hα-helixtrans-61.1-35-179.6-75.6175.9179.51750112.8V280 K281 G286V280-K284 HydrophobicContact CG1-CD 4.05Å; V280-K284 HydrophobicContact CG1-CG 4.5Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 WeakPolarHBondContact O-CG 3.38Å; V280-K284 PolarHBondContact O-N 3.13Å; K281-K284 PolarHBondContact O-N 2.78Å; K284-G286 PolarHBondContact O-N 3.41Å
285D94.8Very high94.6Very high95 Ų9554.6 Ų54.651%0.50828%0.279SS..THydrogen-bonded Turntrans-80-2.2177.8-68.4-7.9000112.6K281 F283 V287K281-D285 VanDerWaalsContact O-CB 3.31Å; K281-D285 WeakPolarHBondContact O-CB 3.37Å; K281-D285 VanDerWaalsContact O-CG 3.29Å; K281-D285 PolarHBondContact O-N 2.71Å; F283-D285 VanDerWaalsContact C-N 3.26Å; F283-D285 PolarHBondContact O-N 3.23Å; D285-V287 HydrophobicContact CB-CG2 3.79Å; D285-V287 PolarHBondContact O-N 2.8Å
286G95Very high94.2Very high32 Ų3256.5 Ų56.533%0.3329%0.289SS..THydrogen-bonded Turntrans66.625.4-178.400000113.5L282 F283 K284 R304L282-G286 PolarHBondContact O-N 2.84Å; F283-G286 PolarHBondContact O-N 3.29Å; K284-G286 PolarHBondContact O-N 3.41Å; G286-R304 WeakPolarHBondContact O-CD 3.49Å
287V95.4Very high93.9Very high3 Ų358.5 Ų58.52%0.01830%0.3CS..  trans-87.9-40.4178.8-178.30000111.2L282 D285 E289 M303 R304 K305 V307L282-V287 HydrophobicContact CB-CB 4.29Å; L282-V287 HydrophobicContact CD2-CB 3.78Å; L282-V287 HydrophobicContact CD2-CG1 3.54Å; L282-V287 HydrophobicContact CD2-CG2 4.39Å; L282-V287 WeakPolarHBondContact O-CA 3.37Å; L282-V287 WeakPolarHBondContact O-CB 3.29Å; L282-V287 PolarHBondContact O-N 3.4Å; D285-V287 HydrophobicContact CB-CG2 3.79Å; D285-V287 PolarHBondContact O-N 2.8Å; V287-E289 PolarHBondContact O-N 3.24Å; V287-M303 HydrophobicContact CG1-CB 4.44Å; V287-M303 HydrophobicContact CG1-SD 4.25Å; V287-M303 CarbonylContact O-C 3.56Å; V287-M303 WeakPolarHBondContact O-CA 3.17Å; V287-R304 PolarHBondContact O-N 3.13Å; V287-K305 HydrophobicContact CG1-CD 4.36Å; V287-K305 HydrophobicContact CG1-CG 3.84Å; V287-K305 HydrophobicContact CG2-CD 4.3Å; V287-V307 HydrophobicContact CG1-CG1 4.27Å
288L96.2Very high93.6Very high3 Ų354.2 Ų54.22%0.01628%0.282CS..BIsolated β-bridgetrans-64128.2172.5-176.964.4000109L237 L282 F283 M303L237-L288 HydrophobicContact CD1-CD2 3.92Å; L237-L288 HydrophobicContact CD1-CG 4.44Å; L282-L288 HydrophobicContact CB-CB 4.28Å; L282-L288 PolarHBondContact O-N 2.83Å; L282-L288 VanDerWaalsContact O-N 3.09Å; F283-L288 HydrophobicContact CB-CB 4.43Å; F283-L288 HydrophobicContact CB-CD2 4.09Å; F283-L288 HydrophobicContact CD2-CD2 4.39Å; L288-M303 HydrophobicContact CD1-CE 3.41Å; L288-M303 VanDerWaalsContact CD1-CE 3.41Å; L288-M303 HydrophobicContact CD1-SD 4.3Å
289E95.9Very high93.4Very high35 Ų3557 Ų5716%0.16429%0.29CS..  trans-69134.6173.4-17554.7-104.800109.5V287 E291 K302 R304V287-E289 PolarHBondContact O-N 3.24Å; E289-E291 WeakPolarHBondContact CG-O 3.47Å; E289-E291 PolarHBondContact OE1-N 2.99Å; E289-E291 VanDerWaalsContact OE1-N 3.14Å; E289-K302 HydrophobicContact CB-CB 3.73Å; E289-K302 WeakPolarHBondContact CB-O 3.21Å; E289-K302 HydrophobicContact CG-CB 4.22Å; E289-K302 PolarHBondContact N-O 2.83Å; E289-R304 VanDerWaalsContact CD-NH1 3.27Å; E289-R304 IonicContact OE1-CZ 2.7Å; E289-R304 IonicContact OE1-NE 3.81Å; E289-R304 IonicContact OE1-NH1 2.77Å; E289-R304 PolarHBondContact OE1-NH1 2.94Å; E289-R304 IonicContact OE1-NH2 3.82Å; E289-R304 PolarHBondContact OE1-NH2 2.84Å; E289-R304 WeakPolarHBondContact OE2-CG 3.44Å; E289-R304 IonicContact OE2-CZ 3.72Å; E289-R304 IonicContact OE2-NE 2.97Å; E289-R304 IonicContact OE2-NH1 3.47Å; E289-R304 PolarHBondContact OE2-NH1 3.32Å; E289-R304 IonicContact OE2-NH2 3.59Å
290T95.7Very high93.2Very high44 Ų4459 Ų5927%0.2730%0.301SS..  trans-108.2-16.2-175.8550000112.3L237 F283 R304L237-T290 HydrophobicContact CD1-CG2 3.87Å; L237-T290 WeakPolarHBondContact CD2-O 3.2Å; F283-T290 HydrophobicContact CE2-CG2 4.33Å; T290-R304 PolarHBondContact OG1-NH2 2.98Å
291E93.5Very high93.2Very high65 Ų6558.6 Ų58.630%0.30430%0.299SS..  trans-92.6111.3174.5-65.6172.5-158.100108.8R88 E289R88-E291 IonicContact CZ-OE1 2.95Å; R88-E291 IonicContact CZ-OE2 2.68Å; R88-E291 IonicContact NE-OE1 3.06Å; R88-E291 IonicContact NE-OE2 3.16Å; R88-E291 IonicContact NH1-OE1 2.69Å; R88-E291 PolarHBondContact NH1-OE1 3.34Å; R88-E291 IonicContact NH1-OE2 3.9Å; R88-E291 IonicContact NH2-OE1 2.63Å; R88-E291 PolarHBondContact NH2-OE1 2.92Å; E289-E291 WeakPolarHBondContact CG-O 3.47Å; E289-E291 PolarHBondContact OE1-N 2.99Å; E289-E291 VanDerWaalsContact OE1-N 3.14Å
292I91.9Very high93.3Very high38 Ų3856.2 Ų56.220%0.19529%0.288CS..  trans-112.3113.3-177.4-60.3170.7000108.9N233 R234 L237 D296N233-I292 VanDerWaalsContact C-CD1 3.49Å; N233-I292 HydrophobicContact CB-CD1 4.08Å; N233-I292 WeakPolarHBondContact O-CD1 3.4Å; N233-I292 WeakPolarHBondContact OD1-CG2 3.38Å; R234-I292 HydrophobicContact CB-CD1 4.33Å; R234-I292 HydrophobicContact CG-CB 4.29Å; R234-I292 HydrophobicContact CG-CD1 3.81Å; R234-I292 HydrophobicContact CG-CG2 3.96Å; L237-I292 HydrophobicContact CB-CD1 4.25Å; L237-I292 HydrophobicContact CD2-CD1 3.86Å; L237-I292 HydrophobicContact CD2-CG1 4.47Å; I292-D296 HydrophobicContact CG2-CB 4.27Å
293G90Very high93.3Very high34 Ų3456.4 Ų56.435%0.35129%0.289SS..  trans-74.5154.5177.800000112.6K295 D296G293-K295 PolarHBondContact O-N 2.83Å; G293-D296 PolarHBondContact N-OD2 2.96Å; G293-D296 VanDerWaalsContact O-CB 3.32Å; G293-D296 WeakPolarHBondContact O-CB 3.47Å; G293-D296 PolarHBondContact O-N 3.43Å; G293-D296 VanDerWaalsContact O-N 3.09Å
294D85.8Confident93.2Very high146 Ų14658.4 Ų58.478%0.78130%0.296SS*.THydrogen-bonded Turntrans-65.2-18.5179.3-64.6-37000113.9R234R234-D294 IonicContact CZ-OD1 3.36Å; R234-D294 IonicContact NH1-OD1 3.38Å; R234-D294 IonicContact NH2-OD1 3.59Å; R234-D294 PolarHBondContact NH2-OD1 3.28Å
295K87Confident93.1Very high209 Ų20956.9 Ų56.991%0.90929%0.289SS*.THydrogen-bonded Turntrans-96.1-0.5177.4-62.6-176-179.5179.10113.3G293G293-K295 PolarHBondContact O-N 2.83Å
296D90Very high93Very high40 Ų4058 Ų5821%0.21429%0.291CS..SBendtrans-73.3141.9-178.8-68.2-10.4000109.8I292 G293 P298 K302I292-D296 HydrophobicContact CG2-CB 4.27Å; G293-D296 PolarHBondContact N-OD2 2.96Å; G293-D296 VanDerWaalsContact O-CB 3.32Å; G293-D296 WeakPolarHBondContact O-CB 3.47Å; G293-D296 PolarHBondContact O-N 3.43Å; G293-D296 VanDerWaalsContact O-N 3.09Å; D296-P298 WeakPolarHBondContact O-CD 3.29Å; D296-P298 VanDerWaalsContact O-N 3.15Å; D296-K302 IonicContact OD1-NZ 3.58Å; D296-K302 PolarHBondContact OD1-NZ 3.19Å; D296-K302 IonicContact OD2-NZ 3.86Å; D296-K302 PolarHBondContact OD2-NZ 3.29Å
297D90.4Very high92.9Very high42 Ų4256.5 Ų56.523%0.22528%0.276CS..  trans-62.7117.1176.4-170.9-28000109.2N233 R299 L300N233-D297 PolarHBondContact ND2-O 2.91Å; D297-R299 PolarHBondContact O-N 3.1Å; D297-R299 VanDerWaalsContact O-N 3.09Å; D297-R299 VanDerWaalsContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CB 3.48Å; D297-R299 VanDerWaalsContact OD1-CG 3.25Å; D297-R299 WeakPolarHBondContact OD1-CG 3.42Å; D297-R299 IonicContact OD1-CZ 3.17Å; D297-R299 PolarHBondContact OD1-N 3.09Å; D297-R299 IonicContact OD1-NE 2.65Å; D297-R299 PolarHBondContact OD1-NE 3.24Å; D297-R299 IonicContact OD1-NH2 3.09Å; D297-R299 IonicContact OD2-CZ 3.53Å; D297-R299 IonicContact OD2-NE 2.7Å; D297-R299 PolarHBondContact OD2-NE 3.06Å; D297-R299 VanDerWaalsContact OD2-NE 3.16Å; D297-R299 IonicContact OD2-NH2 3.7Å; D297-R299 PolarHBondContact OD2-NH2 2.81Å; D297-L300 HydrophobicContact CB-CB 4.39Å; D297-L300 HydrophobicContact CB-CD1 4.17Å; D297-L300 HydrophobicContact CB-CG 4.2Å; D297-L300 PolarHBondContact O-N 2.82Å; D297-L300 VanDerWaalsContact O-N 3.1Å
298P91.1Very high92.7Very high25 Ų2557 Ų5716%0.16228%0.278CS..THydrogen-bonded Turntrans-63.9-18-176.627.2-35.7000112.7T226 Y229 S232 N233 D296 L300 N319T226-P298 HydrophobicContact CG2-CG 4.4Å; Y229-P298 HydrophobicContact CE1-CB 4.36Å; Y229-P298 HydrophobicContact CE1-CG 3.92Å; Y229-P298 HydrophobicContact CE2-CB 3.92Å; Y229-P298 HydrophobicContact CE2-CG 4.38Å; S232-P298 CarbonylContact C-O 3.49Å; S232-P298 VanDerWaalsContact CA-O 3.25Å; S232-P298 WeakPolarHBondContact CA-O 3.3Å; N233-P298 PolarHBondContact N-O 3.47Å; D296-P298 WeakPolarHBondContact O-CD 3.29Å; D296-P298 VanDerWaalsContact O-N 3.15Å; P298-L300 VanDerWaalsContact C-N 3.3Å; P298-N319 PolarHBondContact O-ND2 2.8Å
299R90.6Very high92.5Very high91 Ų9157.4 Ų57.434%0.34328%0.283SS..THydrogen-bonded Turntrans-78.3-17179.5-53.3176.4-70.1178.53.8113.1T226 Y229 D297 N319T226-R299 WeakPolarHBondContact O-CD 3.35Å; T226-R299 PolarHBondContact O-NE 2.93Å; T226-R299 VanDerWaalsContact O-NE 3.1Å; T226-R299 PolarHBondContact O-NH1 2.78Å; Y229-R299 HydrophobicContact CD1-CG 3.7Å; Y229-R299 HydrophobicContact CE1-CG 4.48Å; Y229-R299 HydrophobicContact CG-CG 3.81Å; D297-R299 PolarHBondContact O-N 3.1Å; D297-R299 VanDerWaalsContact O-N 3.09Å; D297-R299 VanDerWaalsContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CB 3.48Å; D297-R299 VanDerWaalsContact OD1-CG 3.25Å; D297-R299 WeakPolarHBondContact OD1-CG 3.42Å; D297-R299 IonicContact OD1-CZ 3.17Å; D297-R299 PolarHBondContact OD1-N 3.09Å; D297-R299 IonicContact OD1-NE 2.65Å; D297-R299 PolarHBondContact OD1-NE 3.24Å; D297-R299 IonicContact OD1-NH2 3.09Å; D297-R299 IonicContact OD2-CZ 3.53Å; D297-R299 IonicContact OD2-NE 2.7Å; D297-R299 PolarHBondContact OD2-NE 3.06Å; D297-R299 VanDerWaalsContact OD2-NE 3.16Å; D297-R299 IonicContact OD2-NH2 3.7Å; D297-R299 PolarHBondContact OD2-NH2 2.81Å; R299-N319 WeakPolarHBondContact O-CB 3.33Å; R299-N319 PolarHBondContact O-N 2.96Å; R299-N319 PolarHBondContact O-ND2 2.89Å; R299-N319 PolarHBondContact O-OD1 2.77Å
300L94Very high92Very high41 Ų4158.6 Ų58.622%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-117.2132.2-170.7-56.7-178.8000111N233 D297 P298 E316 V317 D318N233-L300 VanDerWaalsContact CB-O 3.29Å; N233-L300 WeakPolarHBondContact CB-O 3.32Å; N233-L300 PolarHBondContact ND2-O 2.96Å; D297-L300 HydrophobicContact CB-CB 4.39Å; D297-L300 HydrophobicContact CB-CD1 4.17Å; D297-L300 HydrophobicContact CB-CG 4.2Å; D297-L300 PolarHBondContact O-N 2.82Å; D297-L300 VanDerWaalsContact O-N 3.1Å; P298-L300 VanDerWaalsContact C-N 3.3Å; L300-E316 HydrophobicContact CB-CB 4.36Å; L300-E316 HydrophobicContact CD1-CB 4.28Å; L300-V317 WeakPolarHBondContact CA-O 3.46Å; L300-D318 HydrophobicContact CD2-CB 4.23Å
301S96.7Very high91.5Very high5 Ų559.9 Ų59.94%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-97.3122.6170-74.20000109.9M303 E316 V317 N319S301-M303 VanDerWaalsContact O-CE 3.25Å; S301-M303 WeakPolarHBondContact O-CE 3.38Å; S301-E316 WeakPolarHBondContact O-CA 3.44Å; S301-V317 PolarHBondContact N-O 3.25Å; S301-V317 PolarHBondContact O-N 3.09Å; S301-N319 WeakPolarHBondContact CB-OD1 3.46Å; S301-N319 PolarHBondContact N-OD1 3.14Å; S301-N319 PolarHBondContact OG-OD1 3.34Å
302K97.6Very high91.4Very high68 Ų6864.3 Ų64.330%0.29635%0.345SS..EExtended strand (participates in β ladder)trans-78.9148.8179.2-73.4174.3-178.1175.70112.1E289 D296 M315 E316E289-K302 HydrophobicContact CB-CB 3.73Å; E289-K302 WeakPolarHBondContact CB-O 3.21Å; E289-K302 HydrophobicContact CG-CB 4.22Å; E289-K302 PolarHBondContact N-O 2.83Å; D296-K302 IonicContact OD1-NZ 3.58Å; D296-K302 PolarHBondContact OD1-NZ 3.19Å; D296-K302 IonicContact OD2-NZ 3.86Å; D296-K302 PolarHBondContact OD2-NZ 3.29Å; K302-M315 CarbonylContact C-O 3.58Å; K302-M315 WeakPolarHBondContact CA-O 3.29Å; K302-E316 WeakPolarHBondContact CE-OE1 3.3Å; K302-E316 HydrophobicContact CG-CG 3.87Å
303M96Very high91.4Very high6 Ų666.6 Ų66.63%0.0336%0.357CS..EExtended strand (participates in β ladder)trans-115.9145.8177.2-56.3-62.5128.700110L282 V287 L288 S301 K305 V307 M315 V317 F322L282-M303 HydrophobicContact CD1-SD 4.05Å; L282-M303 HydrophobicContact CD2-SD 4.46Å; V287-M303 HydrophobicContact CG1-CB 4.44Å; V287-M303 HydrophobicContact CG1-SD 4.25Å; V287-M303 CarbonylContact O-C 3.56Å; V287-M303 WeakPolarHBondContact O-CA 3.17Å; L288-M303 HydrophobicContact CD1-CE 3.41Å; L288-M303 VanDerWaalsContact CD1-CE 3.41Å; L288-M303 HydrophobicContact CD1-SD 4.3Å; S301-M303 VanDerWaalsContact O-CE 3.25Å; S301-M303 WeakPolarHBondContact O-CE 3.38Å; M303-K305 VanDerWaalsContact C-N 3.27Å; M303-K305 VanDerWaalsContact CB-O 3.26Å; M303-K305 WeakPolarHBondContact CB-O 3.25Å; M303-K305 PolarHBondContact O-N 3.01Å; M303-V307 HydrophobicContact CB-CG1 4.48Å; M303-V307 HydrophobicContact CG-CG1 4.18Å; M303-V307 HydrophobicContact CG-CG2 3.88Å; M303-M315 PolarHBondContact N-O 2.99Å; M303-M315 WeakPolarHBondContact O-CE 3.46Å; M303-V317 HydrophobicContact CE-CB 4.18Å; M303-V317 HydrophobicContact CE-CG2 4Å; M303-V317 HydrophobicContact CG-CG2 4.12Å; M303-F322 HydrophobicContact CE-CE2 4.07Å; M303-F322 HydrophobicContact CE-CZ 3.84Å
304R94.1Very high91.7Very high75 Ų7567 Ų6728%0.28335%0.353SS..EExtended strand (participates in β ladder)trans-78.4-10.8175.3-61.6-168.1-173.7-88.16.9113.6G286 V287 E289 T290G286-R304 WeakPolarHBondContact O-CD 3.49Å; V287-R304 PolarHBondContact O-N 3.13Å; E289-R304 VanDerWaalsContact CD-NH1 3.27Å; E289-R304 IonicContact OE1-CZ 2.7Å; E289-R304 IonicContact OE1-NE 3.81Å; E289-R304 IonicContact OE1-NH1 2.77Å; E289-R304 PolarHBondContact OE1-NH1 2.94Å; E289-R304 IonicContact OE1-NH2 3.82Å; E289-R304 PolarHBondContact OE1-NH2 2.84Å; E289-R304 WeakPolarHBondContact OE2-CG 3.44Å; E289-R304 IonicContact OE2-CZ 3.72Å; E289-R304 IonicContact OE2-NE 2.97Å; E289-R304 IonicContact OE2-NH1 3.47Å; E289-R304 PolarHBondContact OE2-NH1 3.32Å; E289-R304 IonicContact OE2-NH2 3.59Å; T290-R304 PolarHBondContact OG1-NH2 2.98Å
305K92.5Very high92.1Very high97 Ų9764.4 Ų64.442%0.42234%0.337SS..EExtended strand (participates in β ladder)trans-150.5161.9176.465.3-175.2-176.6-1720109.7V287 M303 V307V287-K305 HydrophobicContact CG1-CD 4.36Å; V287-K305 HydrophobicContact CG1-CG 3.84Å; V287-K305 HydrophobicContact CG2-CD 4.3Å; M303-K305 VanDerWaalsContact C-N 3.27Å; M303-K305 VanDerWaalsContact CB-O 3.26Å; M303-K305 WeakPolarHBondContact CB-O 3.25Å; M303-K305 PolarHBondContact O-N 3.01Å; K305-V307 PolarHBondContact O-N 2.87Å
306E92.7Very high92.6Very high120 Ų12058.4 Ų58.456%0.56131%0.312SS*.EExtended strand (participates in β ladder)trans-62.3133.7-178.1-169.4170.7-124.300111.6D313 M315E306-D313 HydrophobicContact CG-CB 3.83Å; E306-D313 WeakPolarHBondContact OE1-CB 3.45Å; E306-M315 HydrophobicContact CB-SD 4.24Å; E306-M315 PolarHBondContact N-SD 3.32Å
307V94.2Very high92.8Very high0 Ų056.6 Ų56.60%030%0.302CS..EExtended strand (participates in β ladder)trans-129.9158174.6-58.10000109.2I118 V120 L282 V287 M303 K305 D313 T314 V317I118-V307 HydrophobicContact CB-CG1 4.21Å; I118-V307 HydrophobicContact CG2-CG1 4.11Å; I118-V307 CarbonylContact O-C 3.59Å; I118-V307 WeakPolarHBondContact O-CA 3.21Å; V120-V307 HydrophobicContact CG2-CB 4.17Å; V120-V307 HydrophobicContact CG2-CG2 4.05Å; L282-V307 HydrophobicContact CD2-CG1 4.31Å; V287-V307 HydrophobicContact CG1-CG1 4.27Å; M303-V307 HydrophobicContact CB-CG1 4.48Å; M303-V307 HydrophobicContact CG-CG1 4.18Å; M303-V307 HydrophobicContact CG-CG2 3.88Å; K305-V307 PolarHBondContact O-N 2.87Å; V307-D313 WeakPolarHBondContact O-CA 3.18Å; V307-T314 HydrophobicContact CG2-CG2 4.17Å; V307-T314 PolarHBondContact N-O 3.46Å; V307-T314 PolarHBondContact O-N 2.84Å; V307-V317 HydrophobicContact CG2-CG2 3.67Å
308V91.8Very high92.9Very high12 Ų1257.8 Ų57.87%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-95.4114172.3-167.60000109.2Q117 I118 R119 V120 K312 D313Q117-V308 HydrophobicContact CG-CG2 3.53Å; I118-V308 PolarHBondContact O-N 3.32Å; R119-V308 CarbonylContact C-O 3.55Å; R119-V308 WeakPolarHBondContact CA-O 3.33Å; R119-V308 HydrophobicContact CG-CB 4.13Å; R119-V308 HydrophobicContact CG-CG2 4.27Å; V120-V308 PolarHBondContact N-O 3.44Å; V308-K312 CarbonylContact C-O 3.49Å; V308-K312 VanDerWaalsContact CA-O 3.29Å; V308-K312 WeakPolarHBondContact CA-O 3.44Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.24Å
309A90.7Very high93.1Very high13 Ų1356.6 Ų56.611%0.10730%0.301CS..EExtended strand (participates in β ladder)trans-124.2134.9171.100000109.4V120 G311 K312 T314 V317V120-A309 HydrophobicContact CB-CB 4.2Å; A309-G311 PolarHBondContact O-N 2.86Å; A309-G311 VanDerWaalsContact O-N 3.11Å; A309-K312 PolarHBondContact N-O 2.69Å; A309-K312 PolarHBondContact O-N 3.5Å; A309-T314 HydrophobicContact CB-CG2 3.83Å; A309-V317 HydrophobicContact CB-CG1 4.25Å; A309-V317 HydrophobicContact CB-CG2 4.1Å
310G85.3Confident93Very high59 Ų5955.8 Ų55.861%0.60830%0.304SS*.THydrogen-bonded Turntrans58.126.9-177.700000114.5K312G310-K312 VanDerWaalsContact C-N 3.32Å; G310-K312 PolarHBondContact O-N 2.91Å
311G86.6Confident92.9Very high72 Ų7256.7 Ų56.774%0.74231%0.306SS*.THydrogen-bonded Turntrans77.710-177.700000115.2A309A309-G311 PolarHBondContact O-N 2.86Å; A309-G311 VanDerWaalsContact O-N 3.11Å
312K89.7Confident92.9Very high158 Ų15856.5 Ų56.569%0.68731%0.305SS*.EExtended strand (participates in β ladder)trans-120.6143.7177-62.2179.3-176.1175.50110.7V308 A309 G310V308-K312 CarbonylContact C-O 3.49Å; V308-K312 VanDerWaalsContact CA-O 3.29Å; V308-K312 WeakPolarHBondContact CA-O 3.44Å; A309-K312 PolarHBondContact N-O 2.69Å; A309-K312 PolarHBondContact O-N 3.5Å; G310-K312 VanDerWaalsContact C-N 3.32Å; G310-K312 PolarHBondContact O-N 2.91Å
313D93.1Very high92.8Very high85 Ų8553.6 Ų53.646%0.45529%0.292SS..EExtended strand (participates in β ladder)trans-69.5127.9166.7-67.2-45.1000109.6Q117 E306 V307 V308Q117-D313 PolarHBondContact NE2-OD1 3.5Å; E306-D313 HydrophobicContact CG-CB 3.83Å; E306-D313 WeakPolarHBondContact OE1-CB 3.45Å; V307-D313 WeakPolarHBondContact O-CA 3.18Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.24Å
314T95Very high92.8Very high42 Ų4253.4 Ų53.426%0.25829%0.291SS..EExtended strand (participates in β ladder)trans-151.3157.1-175-174.30000111.6V307 A309 E316 V317V307-T314 HydrophobicContact CG2-CG2 4.17Å; V307-T314 PolarHBondContact N-O 3.46Å; V307-T314 PolarHBondContact O-N 2.84Å; A309-T314 HydrophobicContact CB-CG2 3.83Å; T314-E316 WeakPolarHBondContact CG2-O 3.18Å; T314-E316 PolarHBondContact OG1-N 3.39Å; T314-E316 PolarHBondContact OG1-O 3.21Å; T314-V317 HydrophobicContact CG2-CG2 4.43Å
315M96Very high92.8Very high92 Ų9253.4 Ų53.445%0.45330%0.301SS..EExtended strand (participates in β ladder)trans-102.1-5170-65.5-66.5-74.400112K302 M303 E306K302-M315 CarbonylContact C-O 3.58Å; K302-M315 WeakPolarHBondContact CA-O 3.29Å; M303-M315 PolarHBondContact N-O 2.99Å; M303-M315 WeakPolarHBondContact O-CE 3.46Å; E306-M315 HydrophobicContact CB-SD 4.24Å; E306-M315 PolarHBondContact N-SD 3.32Å
316E96.1Very high93Very high84 Ų8449.3 Ų49.339%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-131.9131.4-177.6-70179.5161.600109.2L300 S301 K302 T314L300-E316 HydrophobicContact CB-CB 4.36Å; L300-E316 HydrophobicContact CD1-CB 4.28Å; S301-E316 WeakPolarHBondContact O-CA 3.44Å; K302-E316 WeakPolarHBondContact CE-OE1 3.3Å; K302-E316 HydrophobicContact CG-CG 3.87Å; T314-E316 WeakPolarHBondContact CG2-O 3.18Å; T314-E316 PolarHBondContact OG1-N 3.39Å; T314-E316 PolarHBondContact OG1-O 3.21Å
317V95.4Very high93.1Very high1 Ų151.3 Ų51.31%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-119.4131.1-178.6-178.70000108.4V120 L300 S301 M303 V307 A309 T314 N319 F321 F322V120-V317 HydrophobicContact CG1-CG1 3.95Å; V120-V317 HydrophobicContact CG2-CG2 4.33Å; L300-V317 WeakPolarHBondContact CA-O 3.46Å; S301-V317 PolarHBondContact N-O 3.25Å; S301-V317 PolarHBondContact O-N 3.09Å; M303-V317 HydrophobicContact CE-CB 4.18Å; M303-V317 HydrophobicContact CE-CG2 4Å; M303-V317 HydrophobicContact CG-CG2 4.12Å; V307-V317 HydrophobicContact CG2-CG2 3.67Å; A309-V317 HydrophobicContact CB-CG1 4.25Å; A309-V317 HydrophobicContact CB-CG2 4.1Å; T314-V317 HydrophobicContact CG2-CG2 4.43Å; V317-N319 PolarHBondContact O-N 3.18Å; V317-F321 HydrophobicContact CG1-CB 3.94Å; V317-F321 HydrophobicContact CG1-CD2 4.29Å; V317-F321 HydrophobicContact CG1-CG 4.27Å; V317-F322 HydrophobicContact CB-CE2 4.14Å; V317-F322 HydrophobicContact CB-CZ 3.89Å; V317-F322 HydrophobicContact CG1-CE1 4.09Å; V317-F322 HydrophobicContact CG1-CE2 4.02Å; V317-F322 HydrophobicContact CG1-CZ 3.64Å; V317-F322 HydrophobicContact CG2-CZ 4.37Å
318D92.3Very high93.1Very high67 Ų6754.8 Ų54.836%0.35831%0.309SS..EExtended strand (participates in β ladder)trans-60.3130171.6-172.1-51.2000110.1L300 D320 F321L300-D318 HydrophobicContact CD2-CB 4.23Å; D318-D320 PolarHBondContact O-N 2.67Å; D318-D320 VanDerWaalsContact O-N 3.1Å; D318-D320 WeakPolarHBondContact OD1-CB 3.44Å; D318-D320 PolarHBondContact OD1-N 3.36Å; D318-F321 HydrophobicContact CB-CD2 4.02Å; D318-F321 HydrophobicContact CB-CE2 4.32Å; D318-F321 WeakPolarHBondContact O-CB 3.28Å; D318-F321 PolarHBondContact O-N 3.41Å
319N94.2Very high93.3Very high1 Ų156.7 Ų56.71%0.00532%0.323CS..G310 helixtrans-56.3-28.4-176.3-68.7-15.6000112.7M231 N233 V236 P298 R299 S301 V317 F321 F322 L323M231-N319 PolarHBondContact O-ND2 2.72Å; N233-N319 PolarHBondContact N-ND2 2.91Å; N233-N319 VanDerWaalsContact N-ND2 3.1Å; V236-N319 HydrophobicContact CG2-CB 3.88Å; P298-N319 PolarHBondContact O-ND2 2.8Å; R299-N319 WeakPolarHBondContact O-CB 3.33Å; R299-N319 PolarHBondContact O-N 2.96Å; R299-N319 PolarHBondContact O-ND2 2.89Å; R299-N319 PolarHBondContact O-OD1 2.77Å; S301-N319 WeakPolarHBondContact CB-OD1 3.46Å; S301-N319 PolarHBondContact N-OD1 3.14Å; S301-N319 PolarHBondContact OG-OD1 3.34Å; V317-N319 PolarHBondContact O-N 3.18Å; N319-F321 PolarHBondContact O-N 2.9Å; N319-F321 VanDerWaalsContact O-N 3.17Å; N319-F322 WeakPolarHBondContact O-CA 3.32Å; N319-F322 WeakPolarHBondContact O-CB 3.35Å; N319-F322 PolarHBondContact O-N 2.95Å; N319-L323 WeakPolarHBondContact O-CG 3.46Å; N319-L323 PolarHBondContact O-N 3.22Å
320D88.9Confident93.5Very high74 Ų7460.5 Ų60.540%0.39634%0.341SS..G310 helixtrans-61.7-24179.1-76.9-6.5000113.2D318 F322 L323D318-D320 PolarHBondContact O-N 2.67Å; D318-D320 VanDerWaalsContact O-N 3.1Å; D318-D320 WeakPolarHBondContact OD1-CB 3.44Å; D318-D320 PolarHBondContact OD1-N 3.36Å; D320-F322 PolarHBondContact O-N 3.38Å; D320-L323 PolarHBondContact O-N 3.28Å
321F91.8Very high94.1Very high60 Ų6058.9 Ų58.926%0.26332%0.318SS..G310 helixtrans-65.9-20.4171.7-79.4-93.4000112.9V120 V317 D318 N319V120-F321 HydrophobicContact CG1-CB 3.99Å; V120-F321 HydrophobicContact CG1-CD1 4.41Å; V120-F321 HydrophobicContact CG1-CG 4.46Å; V317-F321 HydrophobicContact CG1-CB 3.94Å; V317-F321 HydrophobicContact CG1-CD2 4.29Å; V317-F321 HydrophobicContact CG1-CG 4.27Å; D318-F321 HydrophobicContact CB-CD2 4.02Å; D318-F321 HydrophobicContact CB-CE2 4.32Å; D318-F321 WeakPolarHBondContact O-CB 3.28Å; D318-F321 PolarHBondContact O-N 3.41Å; N319-F321 PolarHBondContact O-N 2.9Å; N319-F321 VanDerWaalsContact O-N 3.17Å
322F97.2Very high94.6Very high0 Ų060.4 Ų60.40%031%0.306CS..THydrogen-bonded Turntrans-97.4-14.1-179-57.9-38000113.5V120 V236 M275 S276 C279 L282 M303 V317 N319 D320V120-F322 HydrophobicContact CG1-CD1 4.28Å; V120-F322 HydrophobicContact CG1-CE1 3.6Å; V120-F322 HydrophobicContact CG1-CZ 4.37Å; V236-F322 HydrophobicContact CG1-CB 4.39Å; V236-F322 HydrophobicContact CG1-CD2 3.94Å; M275-F322 CarbonylContact C-O 3.57Å; M275-F322 WeakPolarHBondContact CA-O 3.3Å; S276-F322 PolarHBondContact N-O 2.77Å; C279-F322 HydrophobicContact CB-CB 3.79Å; C279-F322 HydrophobicContact CB-CD1 3.44Å; C279-F322 VanDerWaalsContact CB-CD1 3.44Å; C279-F322 HydrophobicContact CB-CD2 4.46Å; C279-F322 HydrophobicContact CB-CE1 4.07Å; C279-F322 HydrophobicContact CB-CG 3.66Å; C279-F322 WeakPolarHBondContact SG-CG 3.44Å; L282-F322 HydrophobicContact CD1-CE1 3.76Å; L282-F322 HydrophobicContact CD1-CZ 3.82Å; M303-F322 HydrophobicContact CE-CE2 4.07Å; M303-F322 HydrophobicContact CE-CZ 3.84Å; V317-F322 HydrophobicContact CB-CE2 4.14Å; V317-F322 HydrophobicContact CB-CZ 3.89Å; V317-F322 HydrophobicContact CG1-CE1 4.09Å; V317-F322 HydrophobicContact CG1-CE2 4.02Å; V317-F322 HydrophobicContact CG1-CZ 3.64Å; V317-F322 HydrophobicContact CG2-CZ 4.37Å; N319-F322 WeakPolarHBondContact O-CA 3.32Å; N319-F322 WeakPolarHBondContact O-CB 3.35Å; N319-F322 PolarHBondContact O-N 2.95Å; D320-F322 PolarHBondContact O-N 3.38Å
323L94.9Very high94.8Very high8 Ų853.5 Ų53.54%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-94119.2-177-52-177.1000110.6T230 M231 V236 F273 M275 N319 D320T230-L323 VanDerWaalsContact CB-CD1 3.48Å; T230-L323 HydrophobicContact CG2-CD1 3.69Å; M231-L323 HydrophobicContact CB-CD1 4.14Å; M231-L323 HydrophobicContact CB-CD2 4.1Å; M231-L323 HydrophobicContact CE-CD2 4.38Å; M231-L323 HydrophobicContact CG-CD1 4.19Å; M231-L323 HydrophobicContact CG-CD2 3.98Å; M231-L323 HydrophobicContact SD-CD2 3.59Å; M231-L323 VanDerWaalsContact SD-CD2 3.59Å; V236-L323 HydrophobicContact CG2-CD2 4.26Å; F273-L323 HydrophobicContact CD1-CB 3.96Å; F273-L323 HydrophobicContact CE1-CB 4.47Å; M275-L323 HydrophobicContact CE-CD2 3.49Å; M275-L323 VanDerWaalsContact CE-CD2 3.49Å; M275-L323 HydrophobicContact SD-CD2 4.1Å; N319-L323 WeakPolarHBondContact O-CG 3.46Å; N319-L323 PolarHBondContact O-N 3.22Å; D320-L323 PolarHBondContact O-N 3.28Å
324V96.1Very high94.8Very high1 Ų153 Ų531%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-110.2106.9174.3-165.50000108.3Q123 P126 F273 Q274Q123-V324 HydrophobicContact CB-CG2 3.78Å; Q123-V324 HydrophobicContact CG-CG1 4.32Å; Q123-V324 HydrophobicContact CG-CG2 3.99Å; P126-V324 HydrophobicContact CB-CB 4.41Å; P126-V324 HydrophobicContact CB-CG1 3.78Å; P126-V324 HydrophobicContact CG-CG1 4.29Å; F273-V324 CarbonylContact C-O 3.58Å; F273-V324 WeakPolarHBondContact CA-O 3.13Å; Q274-V324 HydrophobicContact CB-CB 4.49Å; Q274-V324 PolarHBondContact N-O 2.89Å; Q274-V324 WeakPolarHBondContact O-CB 3.33Å; Q274-V324 PolarHBondContact O-N 2.85Å
325P94.5Very high94.9Very high75 Ų7551.5 Ų51.549%0.48727%0.271SS..EExtended strand (participates in β ladder)trans-60.2138-177.3-23.733.6000112.5P126 F273P126-P325 WeakPolarHBondContact CG-O 3.41Å; F273-P325 HydrophobicContact CD1-CB 4.44Å; F273-P325 HydrophobicContact CD1-CG 4.38Å; F273-P325 HydrophobicContact CE1-CB 4.36Å; F273-P325 HydrophobicContact CE1-CG 4.21Å
326V96.1Very high95Very high11 Ų1149.4 Ų49.47%0.06727%0.266CS..  trans-115.8135.2178.1178.40000108.8P126 C128 A131 A272 Q274P126-V326 HydrophobicContact CB-CG2 3.81Å; P126-V326 HydrophobicContact CG-CG2 4.1Å; C128-V326 HydrophobicContact CB-CG1 4.42Å; C128-V326 HydrophobicContact CB-CG2 4.47Å; A131-V326 HydrophobicContact CB-CG1 3.99Å; A272-V326 HydrophobicContact CB-CB 3.99Å; A272-V326 HydrophobicContact CB-CG1 4.44Å; A272-V326 PolarHBondContact O-N 3.32Å; Q274-V326 HydrophobicContact CB-CG2 3.99Å
327K94.7Very high94.9Very high162 Ų16247.4 Ų47.470%0.70426%0.259SS*.EExtended strand (participates in β ladder)trans-65.8141.4177-65.3178.2-176.7174.20110.3A130 A131A130-K327 CarbonylContact C-O 3.58Å; A130-K327 VanDerWaalsContact CA-O 3.29Å; A130-K327 WeakPolarHBondContact CA-O 3.39Å; A130-K327 HydrophobicContact CB-CB 4.05Å; A131-K327 PolarHBondContact N-O 3.28Å
328I94.7Very high94.8Very high74 Ų7449.2 Ų49.238%0.37928%0.278SS..EExtended strand (participates in β ladder)trans-108.1140.4178.7-60.3178.4000110.2A131 F133 F270 A272A131-I328 WeakPolarHBondContact O-CA 3.1Å; F133-I328 HydrophobicContact CD2-CG2 3.97Å; F133-I328 HydrophobicContact CE2-CG1 4.4Å; F133-I328 HydrophobicContact CE2-CG2 4.11Å; F270-I328 HydrophobicContact CB-CD1 3.94Å; F270-I328 VanDerWaalsContact O-CD1 3.23Å; F270-I328 WeakPolarHBondContact O-CD1 3.3Å; A272-I328 HydrophobicContact CB-CD1 3.78Å; A272-I328 HydrophobicContact CB-CG1 3.61Å
329S95.3Very high95Very high52 Ų5246.4 Ų46.436%0.36426%0.262SS..EExtended strand (participates in β ladder)trans-137.7177.1164.864.50000110.1A131 S132 F133A131-S329 PolarHBondContact O-N 3.36Å; S132-S329 VanDerWaalsContact CA-O 3.31Å; S132-S329 WeakPolarHBondContact CA-O 3.33Å; S132-S329 WeakPolarHBondContact CA-OG 3.24Å; S132-S329 WeakPolarHBondContact CB-OG 3.48Å; S132-S329 PolarHBondContact OG-OG 3.11Å; F133-S329 PolarHBondContact N-O 3.19Å
330D95.6Very high95Very high92 Ų9249.3 Ų49.349%0.49228%0.282SS..EExtended strand (participates in β ladder)trans-121.9161172.974.713.2000111.6S132 F133 R135S132-D330 PolarHBondContact OG-O 2.76Å; F133-D330 VanDerWaalsContact O-CA 3.3Å; F133-D330 WeakPolarHBondContact O-CA 3.34Å; R135-D330 HydrophobicContact CG-CB 3.93Å; R135-D330 IonicContact CZ-OD1 3.42Å; R135-D330 IonicContact CZ-OD2 3.74Å; R135-D330 IonicContact NE-OD1 3.32Å; R135-D330 PolarHBondContact NE-OD1 2.69Å; R135-D330 IonicContact NE-OD2 2.88Å; R135-D330 PolarHBondContact NE-OD2 3.28Å; R135-D330 IonicContact NH2-OD1 2.74Å; R135-D330 PolarHBondContact NH2-OD1 3Å; R135-D330 IonicContact NH2-OD2 3.71Å
331H97.2Very high95.4Very high26 Ų2646.8 Ų46.812%0.1227%0.268CS..EExtended strand (participates in β ladder)trans-149.7174169.566.7-78.8000110.6S132 F133 D134 R135 F171 V172 D173S132-H331 PolarHBondContact O-CE1 3.34Å; S132-H331 VanDerWaalsContact O-CE1 3.3Å; S132-H331 PolarHBondContact OG-ND1 3.22Å; F133-H331 PolarHBondContact O-N 2.76Å; D134-H331 WeakPolarHBondContact CA-O 3.48Å; D134-H331 PolarHBondContact N-CE1 2.79Å; R135-H331 WeakPolarHBondContact CG-O 3.42Å; R135-H331 PolarHBondContact N-O 2.75Å; F171-H331 AromaticContact CD1-CE1 3.98Å; F171-H331 AromaticContact CD1-ND1 3.87Å; V172-H331 PolarHBondContact O-CE1 2.83Å; V172-H331 VanDerWaalsContact O-CE1 3.25Å; D173-H331 IonicContact OD1-NE2 3.29Å
332Q97.4Very high95.5Very high103 Ų10345 Ų4548%0.48126%0.26SS..  trans-105.4116.3166.7-172.371.348.300108.5D136D136-Q332 PolarHBondContact OD2-NE2 2.89Å
333G93.9Very high95.3Very high13 Ų1347.7 Ų47.713%0.13427%0.274CS..  trans-75171.2178.200000112.9D134 L335D134-G333 WeakPolarHBondContact OD1-CA 3.45Å; D134-G333 PolarHBondContact OD1-N 3.44Å; G333-L335 VanDerWaalsContact C-N 3.34Å
334P94.3Very high95.1Very high75 Ų7550.3 Ų50.349%0.48728%0.284SS..SBendtrans-81.1-14.2-17832.8-34.6000113.7D173 M208D173-P334 WeakPolarHBondContact OD1-CD 3.47Å; M208-P334 HydrophobicContact CE-CG 3.76Å
335L97.4Very high94.5Very high11 Ų1153.6 Ų53.66%0.05832%0.318CS..SBendtrans-95.8149.3-178.1-56.3179000110.2F174 L206 G333 S370 F372 V395F174-L335 HydrophobicContact CD1-CD1 3.81Å; F174-L335 HydrophobicContact CE1-CD1 4.41Å; L206-L335 HydrophobicContact CD1-CD1 3.99Å; L206-L335 HydrophobicContact CD1-CD2 4.28Å; L206-L335 HydrophobicContact CD2-CD2 4.36Å; G333-L335 VanDerWaalsContact C-N 3.34Å; L335-S370 CarbonylContact C-O 3.6Å; L335-S370 VanDerWaalsContact CA-O 3.3Å; L335-S370 WeakPolarHBondContact CA-O 3.39Å; L335-F372 HydrophobicContact CD1-CB 3.98Å; L335-V395 HydrophobicContact CD2-CG1 3.92Å
336S96.6Very high93.9Very high48 Ų4856.9 Ų56.934%0.33633%0.332SS..  trans-84.1150166.3600000110.7S370 D371S336-S370 PolarHBondContact N-O 2.82Å; S336-S370 PolarHBondContact OG-O 3.33Å; S336-D371 WeakPolarHBondContact O-CA 3.43Å; S336-D371 WeakPolarHBondContact O-CB 3.45Å
337T94.5Very high93.4Very high41 Ų4162 Ų6225%0.25237%0.365SS..  trans-116.682.3169.5-47.50000108.9A140A140-T337 HydrophobicContact CB-CG2 3.61Å
338G92.4Very high93.1Very high39 Ų3955.7 Ų55.740%0.40234%0.34SS..  trans-137.1-7.5-178.600000114.2R359 D371G338-R359 PolarHBondContact O-NH2 2.87Å; G338-D371 PolarHBondContact N-OD2 2.92Å
339F96.5Very high92.8Very high8 Ų854.6 Ų54.64%0.03534%0.342CS..SBendtrans-85.9147.1174.3-160.9-107.4000111.4I341 V348 A352 L353 H356 D371 H373 L374 L377F339-I341 PolarHBondContact O-N 3.36Å; F339-V348 HydrophobicContact CE1-CG1 3.58Å; F339-V348 HydrophobicContact CZ-CG1 3.77Å; F339-A352 HydrophobicContact CE2-CB 4.11Å; F339-A352 HydrophobicContact CZ-CB 4.16Å; F339-L353 HydrophobicContact CE2-CB 4.39Å; F339-L353 HydrophobicContact CE2-CD1 4.46Å; F339-L353 HydrophobicContact CZ-CB 4.47Å; F339-H356 HydrophobicContact CD2-CB 3.84Å; F339-H356 AromaticContact CD2-CG 3.9Å; F339-H356 HydrophobicContact CE2-CB 4.17Å; F339-D371 HydrophobicContact CB-CB 4.39Å; F339-D371 VanDerWaalsContact CB-CG 3.43Å; F339-D371 WeakPolarHBondContact CB-OD1 3.28Å; F339-D371 VanDerWaalsContact CB-OD2 3.27Å; F339-D371 WeakPolarHBondContact CB-OD2 3.36Å; F339-D371 PolarHBondContact N-OD2 2.84Å; F339-H373 HydrophobicContact CB-CB 4.39Å; F339-H373 VanDerWaalsContact CD1-C 3.49Å; F339-H373 HydrophobicContact CD1-CB 3.99Å; F339-L374 HydrophobicContact CB-CB 4.12Å; F339-L374 HydrophobicContact CD1-CB 4.01Å; F339-L374 VanDerWaalsContact CD1-N 3.33Å; F339-L374 HydrophobicContact CD2-CB 4.04Å; F339-L374 HydrophobicContact CD2-CD1 4.11Å; F339-L374 HydrophobicContact CD2-CG 4.31Å; F339-L374 HydrophobicContact CE1-CB 4.45Å; F339-L374 HydrophobicContact CE2-CD1 4.43Å; F339-L374 HydrophobicContact CE2-CG 4.46Å; F339-L374 HydrophobicContact CG-CB 3.77Å; F339-L377 HydrophobicContact CE1-CB 4.16Å; F339-L377 HydrophobicContact CE1-CD2 3.83Å; F339-L377 HydrophobicContact CZ-CD2 3.53Å
340P95.4Very high92.5Very high63 Ų6354.2 Ų54.241%0.40934%0.335SS..PPolyproline II helixtrans-60135.6174.8-24.936.3000112.3V348 A352P340-V348 HydrophobicContact CB-CG1 4.09Å; P340-V348 HydrophobicContact CB-CG2 4.18Å; P340-V348 HydrophobicContact CG-CG1 4.47Å; P340-A352 HydrophobicContact CG-CB 3.89Å
341I96Very high92.3Very high20 Ų2053.5 Ų53.510%0.10334%0.337CS..PPolyproline II helixtrans-87.6134.8-178.5-60.2-177000109.8A140 F339 R344A140-I341 HydrophobicContact CB-CD1 4.07Å; F339-I341 PolarHBondContact O-N 3.36Å; I341-R344 VanDerWaalsContact CD1-CZ 3.48Å; I341-R344 VanDerWaalsContact CD1-NH2 3.33Å; I341-R344 HydrophobicContact CG2-CG 4.31Å
342E94.1Very high92.2Very high23 Ų2353.1 Ų53.111%0.10734%0.338CS..THydrogen-bonded Turntrans-60.7163.517868-72.816600113.5Y176 R344 H373 L376Y176-E342 WeakPolarHBondContact CD2-OE1 3.08Å; E342-R344 PolarHBondContact O-N 2.86Å; E342-H373 IonicContact OE1-CE1 3.66Å; E342-H373 IonicContact OE1-ND1 3.41Å; E342-H373 PolarHBondContact OE1-ND1 2.98Å; E342-H373 IonicContact OE2-CE1 3.7Å; E342-H373 IonicContact OE2-CG 3.69Å; E342-H373 IonicContact OE2-ND1 2.75Å; E342-H373 PolarHBondContact OE2-ND1 3.32Å; E342-L376 HydrophobicContact CG-CD2 4.27Å
343N93.5Very high92Very high56 Ų5648.2 Ų48.230%0.29932%0.316SS..THydrogen-bonded Turntrans60.613.7172.4-57.8-47.5000116R155 E177 P179R155-N343 PolarHBondContact NH2-O 3.01Å; E177-N343 PolarHBondContact O-ND2 3.34Å; P179-N343 WeakPolarHBondContact CD-ND2 3.18Å
344R91.9Very high92.1Very high63 Ų6352.8 Ų52.824%0.23833%0.332CS..SBendtrans-95.827.8177-64.3-172.4176.4-174.3-2.8114.5A140 H144 E177 I341 E342A140-R344 PolarHBondContact O-NH1 2.89Å; A140-R344 PolarHBondContact O-NH2 3.15Å; A140-R344 VanDerWaalsContact O-NH2 3.09Å; H144-R344 WeakPolarHBondContact NE2-CG 3.43Å; E177-R344 IonicContact OE1-CZ 3.14Å; E177-R344 IonicContact OE1-NE 2.79Å; E177-R344 PolarHBondContact OE1-NE 3.48Å; E177-R344 IonicContact OE1-NH2 2.66Å; E177-R344 PolarHBondContact OE1-NH2 3.39Å; I341-R344 VanDerWaalsContact CD1-CZ 3.48Å; I341-R344 VanDerWaalsContact CD1-NH2 3.33Å; I341-R344 HydrophobicContact CG2-CG 4.31Å; E342-R344 PolarHBondContact O-N 2.86Å
345G82.6Confident92.2Very high70 Ų7052.6 Ų52.672%0.72233%0.332SS*.SBendtrans114.6-68.117600000113.3
346N81.6Confident92.1Very high145 Ų14552.5 Ų52.578%0.77533%0.331SS*.SBendtrans-93.5136.9177.2-68.4-40.5000111
347P85.4Confident92.1Very high117 Ų11750.9 Ų50.976%0.7632%0.319SS*.  trans-56.2141.6169.4-23.933.8000111.5A349P347-A349 PolarHBondContact O-N 3.25Å
348V88.7Confident92.1Very high30 Ų3053.4 Ų53.418%0.18233%0.331CS..  trans-70.8113.1177.7-174.90000109.4F339 P340 A352 L377F339-V348 HydrophobicContact CE1-CG1 3.58Å; F339-V348 HydrophobicContact CZ-CG1 3.77Å; P340-V348 HydrophobicContact CB-CG1 4.09Å; P340-V348 HydrophobicContact CB-CG2 4.18Å; P340-V348 HydrophobicContact CG-CG1 4.47Å; V348-A352 HydrophobicContact CG1-CB 4.1Å; V348-L377 HydrophobicContact CG1-CD2 4.24Å
349A87.7Confident92.3Very high51 Ų5158.6 Ų58.642%0.42134%0.338SS..  trans-78.4151.1-179.200000112.3P347 S351 A352P347-A349 PolarHBondContact O-N 3.25Å; A349-S351 PolarHBondContact O-N 3.1Å; A349-S351 VanDerWaalsContact O-N 3.16Å; A349-A352 WeakPolarHBondContact O-CB 3.09Å; A349-A352 PolarHBondContact O-N 3.21Å
350M89.3Confident92.2Very high44 Ų4458.8 Ų58.822%0.21734%0.341CS..Hα-helixtrans-59.2-27175-68.5-58.9130.200113.2A352 L353 K354 L377 F381M350-A352 PolarHBondContact O-N 3.07Å; M350-A352 VanDerWaalsContact O-N 3.17Å; M350-L353 VanDerWaalsContact O-CB 3.26Å; M350-L353 WeakPolarHBondContact O-CB 3.36Å; M350-L353 PolarHBondContact O-N 3.46Å; M350-K354 PolarHBondContact O-N 3.14Å; M350-L377 HydrophobicContact CE-CD1 3.52Å; M350-L377 HydrophobicContact CE-CD2 3.81Å; M350-L377 HydrophobicContact CE-CG 3.73Å; M350-L377 HydrophobicContact SD-CD2 4.21Å; M350-F381 HydrophobicContact CE-CE2 3.66Å; M350-F381 HydrophobicContact CE-CZ 3.89Å; M350-F381 HydrophobicContact SD-CE2 4.31Å
351S91.9Very high92.1Very high77 Ų7763 Ų6354%0.53835%0.353SS..Hα-helixtrans-59.4-26.3172.659.40000113.4A349 S355A349-S351 PolarHBondContact O-N 3.1Å; A349-S351 VanDerWaalsContact O-N 3.16Å; S351-S355 WeakPolarHBondContact O-CB 3.36Å; S351-S355 PolarHBondContact O-N 3.47Å; S351-S355 PolarHBondContact O-OG 2.69Å
352A94Very high92.1Very high18 Ų1869.1 Ų69.115%0.14938%0.381CS..Hα-helixtrans-68.4-37.3173.400000111.7F339 P340 V348 A349 M350 S355 H356F339-A352 HydrophobicContact CE2-CB 4.11Å; F339-A352 HydrophobicContact CZ-CB 4.16Å; P340-A352 HydrophobicContact CG-CB 3.89Å; V348-A352 HydrophobicContact CG1-CB 4.1Å; A349-A352 WeakPolarHBondContact O-CB 3.09Å; A349-A352 PolarHBondContact O-N 3.21Å; M350-A352 PolarHBondContact O-N 3.07Å; M350-A352 VanDerWaalsContact O-N 3.17Å; A352-S355 PolarHBondContact O-N 3.35Å; A352-H356 WeakPolarHBondContact O-CB 3.41Å; A352-H356 PolarHBondContact O-N 2.94Å
353L95.3Very high92.2Very high1 Ų171.1 Ų71.11%0.00539%0.392CS..Hα-helixtrans-59.5-49.8175.1-176.460.9000110.5F339 M350 S355 H356 L357 L374 V378 I409 L412 A413F339-L353 HydrophobicContact CE2-CB 4.39Å; F339-L353 HydrophobicContact CE2-CD1 4.46Å; F339-L353 HydrophobicContact CZ-CB 4.47Å; M350-L353 VanDerWaalsContact O-CB 3.26Å; M350-L353 WeakPolarHBondContact O-CB 3.36Å; M350-L353 PolarHBondContact O-N 3.46Å; L353-S355 PolarHBondContact O-N 2.87Å; L353-H356 PolarHBondContact O-N 3.47Å; L353-L357 HydrophobicContact CD1-CD1 4.28Å; L353-L357 HydrophobicContact CD1-CG 4.37Å; L353-L357 HydrophobicContact CG-CD1 4.2Å; L353-L357 VanDerWaalsContact O-CG 3.32Å; L353-L357 WeakPolarHBondContact O-CG 3.36Å; L353-L357 PolarHBondContact O-N 3.14Å; L353-L374 HydrophobicContact CD1-CD1 3.73Å; L353-L374 HydrophobicContact CD1-CD2 4.15Å; L353-L374 HydrophobicContact CD1-CG 3.72Å; L353-V378 HydrophobicContact CD1-CG2 4.42Å; L353-V378 HydrophobicContact CD2-CG2 4.4Å; L353-I409 HydrophobicContact CD2-CG2 4.46Å; L353-L412 HydrophobicContact CD2-CB 4.01Å; L353-A413 HydrophobicContact CB-CB 4.4Å; L353-A413 HydrophobicContact CD2-CB 4.05Å; L353-A413 HydrophobicContact CG-CB 3.94Å
354K95.1Very high92.4Very high109 Ų10972.4 Ų72.447%0.47440%0.404SS..Hα-helixtrans-57.2-51.3175.2-171.7172.4-178.4170.10112.6M350 H356 L357 D358 A413M350-K354 PolarHBondContact O-N 3.14Å; K354-H356 VanDerWaalsContact C-N 3.26Å; K354-H356 PolarHBondContact O-N 3.27Å; K354-L357 PolarHBondContact O-N 2.86Å; K354-D358 WeakPolarHBondContact O-CB 3.25Å; K354-D358 PolarHBondContact O-N 2.88Å; K354-A413 HydrophobicContact CB-CB 4.14Å; K354-A413 WeakPolarHBondContact CB-O 3.47Å
355S95.6Very high92.7Very high70 Ų7070.2 Ų70.249%0.4940%0.396SS..Hα-helixtrans-59.5-38-178.4-57.30000112.1S351 A352 L353 R359S351-S355 WeakPolarHBondContact O-CB 3.36Å; S351-S355 PolarHBondContact O-N 3.47Å; S351-S355 PolarHBondContact O-OG 2.69Å; A352-S355 PolarHBondContact O-N 3.35Å; L353-S355 PolarHBondContact O-N 2.87Å; S355-R359 WeakPolarHBondContact O-CB 3.27Å; S355-R359 PolarHBondContact O-N 3.1Å; S355-R359 VanDerWaalsContact O-N 3.14Å
356H96.7Very high93.4Very high10 Ų1067.4 Ų67.45%0.04637%0.365CS..Hα-helixtrans-68.7-47.8176.8-177.390.1000112.3F339 A352 L353 K354 D358 R359 A360 R368 L374F339-H356 HydrophobicContact CD2-CB 3.84Å; F339-H356 AromaticContact CD2-CG 3.9Å; F339-H356 HydrophobicContact CE2-CB 4.17Å; A352-H356 WeakPolarHBondContact O-CB 3.41Å; A352-H356 PolarHBondContact O-N 2.94Å; L353-H356 PolarHBondContact O-N 3.47Å; K354-H356 VanDerWaalsContact C-N 3.26Å; K354-H356 PolarHBondContact O-N 3.27Å; H356-D358 VanDerWaalsContact C-N 3.33Å; H356-D358 PolarHBondContact O-N 3.23Å; H356-R359 PolarHBondContact ND1-NH2 2.93Å; H356-R359 PolarHBondContact O-N 3.38Å; H356-A360 PolarHBondContact O-N 3.28Å; H356-A360 VanDerWaalsContact O-N 3.07Å; H356-R368 PolarHBondContact CD2-O 3.31Å; H356-R368 VanDerWaalsContact CD2-O 3.32Å; H356-R368 PolarHBondContact NE2-O 2.82Å; H356-L374 WeakPolarHBondContact CD2-CD1 3.45Å
357L95.7Very high94.1Very high14 Ų1464.9 Ų64.97%0.07335%0.347CS..Hα-helixtrans-62.2-40.4178.4-67176.8000112L353 K354 A360 K361 R368 I369 I409 A413L353-L357 HydrophobicContact CD1-CD1 4.28Å; L353-L357 HydrophobicContact CD1-CG 4.37Å; L353-L357 HydrophobicContact CG-CD1 4.2Å; L353-L357 VanDerWaalsContact O-CG 3.32Å; L353-L357 WeakPolarHBondContact O-CG 3.36Å; L353-L357 PolarHBondContact O-N 3.14Å; K354-L357 PolarHBondContact O-N 2.86Å; L357-A360 CarbonylContact O-C 3.54Å; L357-A360 PolarHBondContact O-N 3.43Å; L357-K361 PolarHBondContact O-N 3.16Å; L357-R368 HydrophobicContact CD2-CB 3.92Å; L357-I369 HydrophobicContact CD2-CG2 4.22Å; L357-I409 HydrophobicContact CD1-CG2 4.02Å; L357-A413 HydrophobicContact CD1-CB 3.98Å
358D95Very high94.7Very high93 Ų9361.9 Ų61.950%0.49732%0.32SS..Hα-helixtrans-65.1-41.6177.7-77.6-22.9000112.1K354 H356 A360 K361K354-D358 WeakPolarHBondContact O-CB 3.25Å; K354-D358 PolarHBondContact O-N 2.88Å; H356-D358 VanDerWaalsContact C-N 3.33Å; H356-D358 PolarHBondContact O-N 3.23Å; D358-A360 VanDerWaalsContact C-N 3.31Å; D358-A360 PolarHBondContact O-N 2.8Å; D358-K361 WeakPolarHBondContact O-CB 3.35Å; D358-K361 WeakPolarHBondContact O-CD 3.46Å; D358-K361 VanDerWaalsContact O-CG 3.23Å; D358-K361 WeakPolarHBondContact O-CG 3.44Å; D358-K361 PolarHBondContact O-N 2.95Å
359R95.6Very high95.1Very high149 Ų14960.5 Ų60.556%0.56231%0.312SS*.Hα-helixtrans-63.6-37.8175.9-179.6175.856.2-133.91.2111.8G338 S355 H356 H362G338-R359 PolarHBondContact O-NH2 2.87Å; S355-R359 WeakPolarHBondContact O-CB 3.27Å; S355-R359 PolarHBondContact O-N 3.1Å; S355-R359 VanDerWaalsContact O-N 3.14Å; H356-R359 PolarHBondContact ND1-NH2 2.93Å; H356-R359 PolarHBondContact O-N 3.38Å; R359-H362 PolarHBondContact O-ND1 3.45Å
360A94.3Very high95.6Very high12 Ų1258.2 Ų58.210%0.09929%0.293CS..THydrogen-bonded Turntrans-91.110-179.700000114H356 L357 D358 H362 L363 R368H356-A360 PolarHBondContact O-N 3.28Å; H356-A360 VanDerWaalsContact O-N 3.07Å; L357-A360 CarbonylContact O-C 3.54Å; L357-A360 PolarHBondContact O-N 3.43Å; D358-A360 VanDerWaalsContact C-N 3.31Å; D358-A360 PolarHBondContact O-N 2.8Å; A360-H362 PolarHBondContact O-N 3.31Å; A360-L363 HydrophobicContact CB-CD1 4.37Å; A360-L363 WeakPolarHBondContact O-CB 3.4Å; A360-L363 PolarHBondContact O-N 2.96Å; A360-R368 HydrophobicContact CB-CB 3.98Å; A360-R368 HydrophobicContact CB-CG 3.79Å; A360-R368 WeakPolarHBondContact O-CD 3.47Å; A360-R368 WeakPolarHBondContact O-CG 3.49Å; A360-R368 PolarHBondContact O-NE 2.68Å
361K94.8Very high96Very high151 Ų15156.1 Ų56.166%0.65728%0.282SS*.THydrogen-bonded Turntrans-55.9-22.8-173.671.4-176.3178.7-176.90115.7L357 D358 L363 R368L357-K361 PolarHBondContact O-N 3.16Å; D358-K361 WeakPolarHBondContact O-CB 3.35Å; D358-K361 WeakPolarHBondContact O-CD 3.46Å; D358-K361 VanDerWaalsContact O-CG 3.23Å; D358-K361 WeakPolarHBondContact O-CG 3.44Å; D358-K361 PolarHBondContact O-N 2.95Å; K361-L363 VanDerWaalsContact C-N 3.29Å; K361-R368 PolarHBondContact O-NH2 3.39Å
362H95.7Very high96.3Very high148 Ų14852.6 Ų52.669%0.68526%0.257SS*.THydrogen-bonded Turntrans-79.1-12.6179.263.8-81.8000113R359 A360R359-H362 PolarHBondContact O-ND1 3.45Å; A360-H362 PolarHBondContact O-N 3.31Å
363L96.6Very high96.5Very high66 Ų6652.1 Ų52.135%0.34625%0.252SS..SBendtrans-94.6159.7179-58.5176.6000111.4A360 K361 K367 R368A360-L363 HydrophobicContact CB-CD1 4.37Å; A360-L363 WeakPolarHBondContact O-CB 3.4Å; A360-L363 PolarHBondContact O-N 2.96Å; K361-L363 VanDerWaalsContact C-N 3.29Å; L363-K367 HydrophobicContact CB-CB 4.03Å; L363-K367 HydrophobicContact CD1-CB 4.37Å; L363-R368 HydrophobicContact CB-CG 4.3Å; L363-R368 PolarHBondContact O-NE 2.65Å; L363-R368 PolarHBondContact O-NH2 3.23Å
364P96.6Very high96.6Very high83 Ų8352 Ų5254%0.53925%0.252SS..  trans-58.6147.2167.4-22.834.1000111.6V366 K367 R368P364-V366 VanDerWaalsContact C-N 3.28Å; P364-V366 HydrophobicContact CB-CG1 4.41Å; P364-V366 PolarHBondContact O-N 2.81Å; P364-V366 VanDerWaalsContact O-N 3.16Å; P364-K367 WeakPolarHBondContact O-CB 3.35Å; P364-K367 PolarHBondContact O-N 3.1Å; P364-R368 PolarHBondContact O-N 3.1Å
365F97.5Very high96.7Very high17 Ų1747 Ų478%0.07523%0.23CC..Hα-helixtrans-52-43.5-174.7-169.1-86.8000113.3K367 R368 I369 V401 Q406 I409 E410F365-K367 VanDerWaalsContact C-N 3.26Å; F365-K367 PolarHBondContact O-N 2.85Å; F365-R368 WeakPolarHBondContact O-CB 3.33Å; F365-R368 PolarHBondContact O-N 2.85Å; F365-I369 HydrophobicContact CD1-CD1 4.46Å; F365-I369 HydrophobicContact CD1-CG2 4.22Å; F365-I369 HydrophobicContact CE1-CD1 4.23Å; F365-I369 HydrophobicContact CE1-CG2 3.69Å; F365-I369 HydrophobicContact CZ-CG2 4.05Å; F365-I369 PolarHBondContact O-N 3.41Å; F365-V401 HydrophobicContact CD1-CB 3.93Å; F365-V401 HydrophobicContact CD1-CG1 4.12Å; F365-V401 HydrophobicContact CD1-CG2 3.97Å; F365-V401 HydrophobicContact CE1-CB 4.44Å; F365-V401 HydrophobicContact CE1-CG1 4.12Å; F365-Q406 HydrophobicContact CD1-CG 3.74Å; F365-Q406 HydrophobicContact CD2-CB 4.38Å; F365-Q406 HydrophobicContact CD2-CG 4.19Å; F365-Q406 HydrophobicContact CE1-CB 4.23Å; F365-Q406 HydrophobicContact CE1-CG 3.83Å; F365-Q406 HydrophobicContact CE2-CB 4.09Å; F365-Q406 HydrophobicContact CE2-CG 4.27Å; F365-Q406 HydrophobicContact CG-CG 3.93Å; F365-Q406 HydrophobicContact CZ-CB 4.01Å; F365-Q406 HydrophobicContact CZ-CG 4.11Å; F365-I409 HydrophobicContact CE1-CD1 4.01Å; F365-I409 HydrophobicContact CZ-CB 4.03Å; F365-I409 HydrophobicContact CZ-CD1 4.14Å; F365-I409 HydrophobicContact CZ-CG2 3.98Å; F365-E410 HydrophobicContact CE2-CG 4.15Å
366V97.7Very high96.8Very high11 Ų1144.2 Ų44.27%0.06721%0.209CC..Hα-helixtrans-56.2-38.6177.768.30000112.7P364 I369 S370 C394 V395 S399 V401P364-V366 VanDerWaalsContact C-N 3.28Å; P364-V366 HydrophobicContact CB-CG1 4.41Å; P364-V366 PolarHBondContact O-N 2.81Å; P364-V366 VanDerWaalsContact O-N 3.16Å; V366-I369 VanDerWaalsContact O-CG1 3.31Å; V366-I369 WeakPolarHBondContact O-CG1 3.49Å; V366-I369 PolarHBondContact O-N 3.18Å; V366-S370 PolarHBondContact O-N 2.98Å; V366-S370 VanDerWaalsContact O-N 3.17Å; V366-S370 PolarHBondContact O-OG 3.26Å; V366-C394 WeakPolarHBondContact CG2-O 3.33Å; V366-V395 HydrophobicContact CG2-CG2 4.39Å; V366-S399 WeakPolarHBondContact CB-O 3.31Å; V366-S399 WeakPolarHBondContact CG2-O 3.46Å; V366-V401 HydrophobicContact CB-CG2 3.93Å; V366-V401 HydrophobicContact CG2-CG2 4.15Å
367K97.4Very high96.7Very high92 Ų9245.3 Ų45.340%0.422%0.215SC..Hα-helixtrans-70.8-32.5177-74.6-69-174.4-163.50112.2L363 P364 F365 I369 S370 Q398L363-K367 HydrophobicContact CB-CB 4.03Å; L363-K367 HydrophobicContact CD1-CB 4.37Å; P364-K367 WeakPolarHBondContact O-CB 3.35Å; P364-K367 PolarHBondContact O-N 3.1Å; F365-K367 VanDerWaalsContact C-N 3.26Å; F365-K367 PolarHBondContact O-N 2.85Å; K367-I369 VanDerWaalsContact C-N 3.29Å; K367-I369 PolarHBondContact O-N 3.12Å; K367-S370 PolarHBondContact O-N 2.83Å; K367-Q398 VanDerWaalsContact NZ-CD 3.27Å
368R97Very high96.7Very high54 Ų5444.7 Ų44.720%0.20421%0.212CC..Hα-helixtrans-65.7-34.8177.6-50.2-175.2-163.6167.66112H356 L357 A360 K361 L363 P364 F365H356-R368 PolarHBondContact CD2-O 3.31Å; H356-R368 VanDerWaalsContact CD2-O 3.32Å; H356-R368 PolarHBondContact NE2-O 2.82Å; L357-R368 HydrophobicContact CD2-CB 3.92Å; A360-R368 HydrophobicContact CB-CB 3.98Å; A360-R368 HydrophobicContact CB-CG 3.79Å; A360-R368 WeakPolarHBondContact O-CD 3.47Å; A360-R368 WeakPolarHBondContact O-CG 3.49Å; A360-R368 PolarHBondContact O-NE 2.68Å; K361-R368 PolarHBondContact O-NH2 3.39Å; L363-R368 HydrophobicContact CB-CG 4.3Å; L363-R368 PolarHBondContact O-NE 2.65Å; L363-R368 PolarHBondContact O-NH2 3.23Å; P364-R368 PolarHBondContact O-N 3.1Å; F365-R368 WeakPolarHBondContact O-CB 3.33Å; F365-R368 PolarHBondContact O-N 2.85Å
369I97.1Very high96.8Very high0 Ų040.4 Ų40.40%019%0.19CC..THydrogen-bonded Turntrans-95.60.9-179.768.6163.1000113.6L357 F365 V366 K367 D371 L374 L375 L391 V395 V401 I409L357-I369 HydrophobicContact CD2-CG2 4.22Å; F365-I369 HydrophobicContact CD1-CD1 4.46Å; F365-I369 HydrophobicContact CD1-CG2 4.22Å; F365-I369 HydrophobicContact CE1-CD1 4.23Å; F365-I369 HydrophobicContact CE1-CG2 3.69Å; F365-I369 HydrophobicContact CZ-CG2 4.05Å; F365-I369 PolarHBondContact O-N 3.41Å; V366-I369 VanDerWaalsContact O-CG1 3.31Å; V366-I369 WeakPolarHBondContact O-CG1 3.49Å; V366-I369 PolarHBondContact O-N 3.18Å; K367-I369 VanDerWaalsContact C-N 3.29Å; K367-I369 PolarHBondContact O-N 3.12Å; I369-D371 PolarHBondContact O-N 3.5Å; I369-L374 HydrophobicContact CB-CD2 3.94Å; I369-L374 HydrophobicContact CG2-CD2 4.13Å; I369-L375 WeakPolarHBondContact O-CG 3.19Å; I369-L391 HydrophobicContact CD1-CD1 3.57Å; I369-L391 HydrophobicContact CD1-CD2 4.48Å; I369-L391 HydrophobicContact CD1-CG 4.06Å; I369-V395 HydrophobicContact CD1-CG2 4.02Å; I369-V395 HydrophobicContact CG1-CG2 4.06Å; I369-V401 HydrophobicContact CD1-CG2 3.9Å; I369-I409 HydrophobicContact CG2-CD1 4.36Å
370S97.9Very high96.6Very high3 Ų335.6 Ų35.62%0.02118%0.182CC..  trans-76.250.1-179.5-65.40000111.7L335 S336 V366 K367 Q398L335-S370 CarbonylContact C-O 3.6Å; L335-S370 VanDerWaalsContact CA-O 3.3Å; L335-S370 WeakPolarHBondContact CA-O 3.39Å; S336-S370 PolarHBondContact N-O 2.82Å; S336-S370 PolarHBondContact OG-O 3.33Å; V366-S370 PolarHBondContact O-N 2.98Å; V366-S370 VanDerWaalsContact O-N 3.17Å; V366-S370 PolarHBondContact O-OG 3.26Å; K367-S370 PolarHBondContact O-N 2.83Å; S370-Q398 PolarHBondContact OG-NE2 2.96Å
371D98Very high96.6Very high0 Ų040.2 Ų40.20%020%0.2CC..  trans-130.2126.7177.7-178-55.7000107.8S336 G338 F339 I369 H373 L374 L375S336-D371 WeakPolarHBondContact O-CA 3.43Å; S336-D371 WeakPolarHBondContact O-CB 3.45Å; G338-D371 PolarHBondContact N-OD2 2.92Å; F339-D371 HydrophobicContact CB-CB 4.39Å; F339-D371 VanDerWaalsContact CB-CG 3.43Å; F339-D371 WeakPolarHBondContact CB-OD1 3.28Å; F339-D371 VanDerWaalsContact CB-OD2 3.27Å; F339-D371 WeakPolarHBondContact CB-OD2 3.36Å; F339-D371 PolarHBondContact N-OD2 2.84Å; I369-D371 PolarHBondContact O-N 3.5Å; D371-H373 PolarHBondContact O-N 3.2Å; D371-H373 PolarHBondContact OD1-N 2.63Å; D371-L374 HydrophobicContact CB-CB 3.89Å; D371-L374 PolarHBondContact O-N 3.32Å; D371-L374 PolarHBondContact OD1-N 3.42Å; D371-L375 VanDerWaalsContact O-CG 3.29Å; D371-L375 WeakPolarHBondContact O-CG 3.47Å; D371-L375 PolarHBondContact O-N 2.96Å
372F98.4Very high96.6Very high3 Ų334 Ų341%0.01317%0.174CC..Hα-helixtrans-59.4-45.1-176.4163.2-104.6000112.4F174 Y176 V199 I202 L335 L374 L375 L376F174-F372 HydrophobicContact CB-CB 4.15Å; F174-F372 HydrophobicContact CB-CD1 4.37Å; F174-F372 HydrophobicContact CB-CG 4.32Å; F174-F372 HydrophobicContact CD1-CB 4.24Å; F174-F372 HydrophobicContact CD1-CD2 4.41Å; F174-F372 HydrophobicContact CD1-CG 4.27Å; F174-F372 HydrophobicContact CD2-CB 4.06Å; F174-F372 AromaticContact CD2-CD1 3.36Å; F174-F372 HydrophobicContact CD2-CD1 3.36Å; F174-F372 AromaticContact CD2-CD2 3.64Å; F174-F372 HydrophobicContact CD2-CD2 3.64Å; F174-F372 AromaticContact CD2-CE1 3.65Å; F174-F372 HydrophobicContact CD2-CE1 3.65Å; F174-F372 AromaticContact CD2-CE2 3.91Å; F174-F372 HydrophobicContact CD2-CE2 3.91Å; F174-F372 AromaticContact CD2-CG 3.36Å; F174-F372 HydrophobicContact CD2-CG 3.36Å; F174-F372 AromaticContact CD2-CZ 3.91Å; F174-F372 HydrophobicContact CD2-CZ 3.91Å; F174-F372 HydrophobicContact CE1-CD2 4.1Å; F174-F372 HydrophobicContact CE1-CG 4.42Å; F174-F372 AromaticContact CE2-CD1 3.8Å; F174-F372 HydrophobicContact CE2-CD1 3.8Å; F174-F372 AromaticContact CE2-CD2 3.28Å; F174-F372 HydrophobicContact CE2-CD2 3.28Å; F174-F372 AromaticContact CE2-CE1 3.76Å; F174-F372 HydrophobicContact CE2-CE1 3.76Å; F174-F372 AromaticContact CE2-CE2 3.24Å; F174-F372 HydrophobicContact CE2-CE2 3.24Å; F174-F372 AromaticContact CE2-CG 3.57Å; F174-F372 HydrophobicContact CE2-CG 3.57Å; F174-F372 AromaticContact CE2-CZ 3.5Å; F174-F372 HydrophobicContact CE2-CZ 3.5Å; F174-F372 VanDerWaalsContact CE2-CZ 3.5Å; F174-F372 HydrophobicContact CG-CB 3.9Å; F174-F372 HydrophobicContact CG-CD1 4.02Å; F174-F372 HydrophobicContact CG-CD2 4.19Å; F174-F372 AromaticContact CG-CG 3.74Å; F174-F372 HydrophobicContact CG-CG 3.74Å; F174-F372 AromaticContact CZ-CD2 3.52Å; F174-F372 HydrophobicContact CZ-CD2 3.52Å; F174-F372 AromaticContact CZ-CE2 3.71Å; F174-F372 HydrophobicContact CZ-CE2 3.71Å; F174-F372 HydrophobicContact CZ-CG 4.09Å; F174-F372 HydrophobicContact CZ-CZ 4.39Å; Y176-F372 HydrophobicContact CD2-CE1 4.38Å; Y176-F372 HydrophobicContact CD2-CZ 4.22Å; Y176-F372 HydrophobicContact CG-CZ 4.37Å; V199-F372 HydrophobicContact CB-CZ 4.44Å; V199-F372 HydrophobicContact CG1-CE2 3.95Å; V199-F372 HydrophobicContact CG1-CZ 3.79Å; V199-F372 HydrophobicContact CG2-CE2 4.49Å; V199-F372 HydrophobicContact CG2-CZ 4.04Å; I202-F372 HydrophobicContact CG2-CD2 3.9Å; I202-F372 HydrophobicContact CG2-CE2 4.21Å; L335-F372 HydrophobicContact CD1-CB 3.98Å; F372-L374 VanDerWaalsContact C-N 3.31Å; F372-L374 PolarHBondContact O-N 3.06Å; F372-L375 PolarHBondContact O-N 3.08Å; F372-L376 HydrophobicContact CE1-CD2 4.32Å; F372-L376 HydrophobicContact CZ-CB 4.46Å; F372-L376 HydrophobicContact CZ-CD2 4.04Å; F372-L376 WeakPolarHBondContact O-CB 3.4Å; F372-L376 PolarHBondContact O-N 2.73Å
373H97.8Very high96.6Very high8 Ų830.7 Ų30.74%0.03716%0.161CC..Hα-helixtrans-70.6-32.3-175.7-61-77.2000111.1I175 F339 E342 D371 L376 L377I175-H373 PolarHBondContact O-CE1 2.69Å; I175-H373 VanDerWaalsContact O-CE1 3.24Å; F339-H373 HydrophobicContact CB-CB 4.39Å; F339-H373 VanDerWaalsContact CD1-C 3.49Å; F339-H373 HydrophobicContact CD1-CB 3.99Å; E342-H373 IonicContact OE1-CE1 3.66Å; E342-H373 IonicContact OE1-ND1 3.41Å; E342-H373 PolarHBondContact OE1-ND1 2.98Å; E342-H373 IonicContact OE2-CE1 3.7Å; E342-H373 IonicContact OE2-CG 3.69Å; E342-H373 IonicContact OE2-ND1 2.75Å; E342-H373 PolarHBondContact OE2-ND1 3.32Å; D371-H373 PolarHBondContact O-N 3.2Å; D371-H373 PolarHBondContact OD1-N 2.63Å; H373-L376 PolarHBondContact O-N 3.18Å; H373-L377 PolarHBondContact O-N 3.3Å; H373-L377 VanDerWaalsContact O-N 3.13Å
374L97.3Very high96.5Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-63.6-49.1169.3-175.4155.8000111.1F339 L353 H356 I369 D371 F372 L376 L377 V378F339-L374 HydrophobicContact CB-CB 4.12Å; F339-L374 HydrophobicContact CD1-CB 4.01Å; F339-L374 VanDerWaalsContact CD1-N 3.33Å; F339-L374 HydrophobicContact CD2-CB 4.04Å; F339-L374 HydrophobicContact CD2-CD1 4.11Å; F339-L374 HydrophobicContact CD2-CG 4.31Å; F339-L374 HydrophobicContact CE1-CB 4.45Å; F339-L374 HydrophobicContact CE2-CD1 4.43Å; F339-L374 HydrophobicContact CE2-CG 4.46Å; F339-L374 HydrophobicContact CG-CB 3.77Å; L353-L374 HydrophobicContact CD1-CD1 3.73Å; L353-L374 HydrophobicContact CD1-CD2 4.15Å; L353-L374 HydrophobicContact CD1-CG 3.72Å; H356-L374 WeakPolarHBondContact CD2-CD1 3.45Å; I369-L374 HydrophobicContact CB-CD2 3.94Å; I369-L374 HydrophobicContact CG2-CD2 4.13Å; D371-L374 HydrophobicContact CB-CB 3.89Å; D371-L374 PolarHBondContact O-N 3.32Å; D371-L374 PolarHBondContact OD1-N 3.42Å; F372-L374 VanDerWaalsContact C-N 3.31Å; F372-L374 PolarHBondContact O-N 3.06Å; L374-L376 PolarHBondContact O-N 2.8Å; L374-L377 PolarHBondContact O-N 2.7Å; L374-V378 HydrophobicContact CD2-CG2 3.92Å; L374-V378 WeakPolarHBondContact O-CG2 3.49Å; L374-V378 PolarHBondContact O-N 2.78Å
375L97.8Very high96.4Very high4 Ų435 Ų352%0.02117%0.171CC..Hα-helixtrans-60.7-36.4179.3-70.2169.2000111.4I202 I369 D371 F372 V378 A379 L391 T392 V395I202-L375 HydrophobicContact CD1-CB 4.27Å; I202-L375 HydrophobicContact CG2-CB 4.35Å; I202-L375 HydrophobicContact CG2-CD1 4.37Å; I369-L375 WeakPolarHBondContact O-CG 3.19Å; D371-L375 VanDerWaalsContact O-CG 3.29Å; D371-L375 WeakPolarHBondContact O-CG 3.47Å; D371-L375 PolarHBondContact O-N 2.96Å; F372-L375 PolarHBondContact O-N 3.08Å; L375-V378 PolarHBondContact O-N 3.27Å; L375-A379 WeakPolarHBondContact O-CB 3.49Å; L375-A379 PolarHBondContact O-N 2.98Å; L375-L391 HydrophobicContact CD2-CD2 3.88Å; L375-L391 HydrophobicContact CD2-CG 4.24Å; L375-T392 HydrophobicContact CD1-CG2 4.39Å; L375-V395 HydrophobicContact CD1-CG2 4.31Å; L375-V395 HydrophobicContact CD2-CG2 4.35Å
376L97.1Very high96.2Very high11 Ų1137 Ų376%0.05819%0.19CC..Hα-helixtrans-63.7-44.7175.9-177.857.6000111.7Y176 E195 R198 V199 I202 E342 F372 H373 L374 A379 A380Y176-L376 HydrophobicContact CD2-CD2 4.09Å; Y176-L376 HydrophobicContact CE2-CD2 4.09Å; E195-L376 HydrophobicContact CG-CD1 4.3Å; R198-L376 HydrophobicContact CB-CD1 4.4Å; V199-L376 HydrophobicContact CG2-CD1 3.7Å; V199-L376 HydrophobicContact CG2-CD2 4.16Å; I202-L376 HydrophobicContact CD1-CB 4.24Å; I202-L376 HydrophobicContact CD1-CD1 4.24Å; E342-L376 HydrophobicContact CG-CD2 4.27Å; F372-L376 HydrophobicContact CE1-CD2 4.32Å; F372-L376 HydrophobicContact CZ-CB 4.46Å; F372-L376 HydrophobicContact CZ-CD2 4.04Å; F372-L376 WeakPolarHBondContact O-CB 3.4Å; F372-L376 PolarHBondContact O-N 2.73Å; H373-L376 PolarHBondContact O-N 3.18Å; L374-L376 PolarHBondContact O-N 2.8Å; L376-A379 PolarHBondContact O-N 3Å; L376-A380 PolarHBondContact O-N 3.35Å
377L95.7Very high96.2Very high32 Ų3238.5 Ų38.517%0.16820%0.198CC..Hα-helixtrans-61-47.2175.3-174.569.3000111.6F339 V348 M350 H373 L374 A379 A380F339-L377 HydrophobicContact CE1-CB 4.16Å; F339-L377 HydrophobicContact CE1-CD2 3.83Å; F339-L377 HydrophobicContact CZ-CD2 3.53Å; V348-L377 HydrophobicContact CG1-CD2 4.24Å; M350-L377 HydrophobicContact CE-CD1 3.52Å; M350-L377 HydrophobicContact CE-CD2 3.81Å; M350-L377 HydrophobicContact CE-CG 3.73Å; M350-L377 HydrophobicContact SD-CD2 4.21Å; H373-L377 PolarHBondContact O-N 3.3Å; H373-L377 VanDerWaalsContact O-N 3.13Å; L374-L377 PolarHBondContact O-N 2.7Å; L377-A379 VanDerWaalsContact C-N 3.35Å; L377-A380 VanDerWaalsContact O-CB 3.31Å; L377-A380 WeakPolarHBondContact O-CB 3.41Å; L377-A380 PolarHBondContact O-N 2.84Å
378V95.7Very high96.2Very high1 Ų134.3 Ų34.31%0.00618%0.18CC..Hα-helixtrans-65.6-39179.5172.60000111L353 L374 L375 A380 F381 L382 L391 I409L353-V378 HydrophobicContact CD1-CG2 4.42Å; L353-V378 HydrophobicContact CD2-CG2 4.4Å; L374-V378 HydrophobicContact CD2-CG2 3.92Å; L374-V378 WeakPolarHBondContact O-CG2 3.49Å; L374-V378 PolarHBondContact O-N 2.78Å; L375-V378 PolarHBondContact O-N 3.27Å; V378-A380 PolarHBondContact O-N 3.07Å; V378-A380 VanDerWaalsContact O-N 3.08Å; V378-F381 PolarHBondContact O-N 2.97Å; V378-L382 HydrophobicContact CG1-CD1 3.7Å; V378-L382 HydrophobicContact CG1-CG 4.1Å; V378-L391 HydrophobicContact CG1-CD2 4.24Å; V378-I409 HydrophobicContact CG1-CD1 4.26Å; V378-I409 HydrophobicContact CG1-CG1 3.88Å; V378-I409 HydrophobicContact CG2-CG1 4.37Å
379A96Very high96.1Very high3 Ų334 Ų343%0.02519%0.185CC..Hα-helixtrans-61.8-17.617900000113.5R198 I202 L375 L376 L377 F381 L382 V388R198-A379 HydrophobicContact CB-CB 4.48Å; R198-A379 VanDerWaalsContact CD-O 3.32Å; R198-A379 WeakPolarHBondContact CD-O 3.38Å; I202-A379 HydrophobicContact CD1-CB 3.88Å; I202-A379 HydrophobicContact CG1-CB 4.45Å; L375-A379 WeakPolarHBondContact O-CB 3.49Å; L375-A379 PolarHBondContact O-N 2.98Å; L376-A379 PolarHBondContact O-N 3Å; L377-A379 VanDerWaalsContact C-N 3.35Å; A379-F381 PolarHBondContact O-N 3.17Å; A379-L382 PolarHBondContact O-N 2.63Å; A379-V388 HydrophobicContact CB-CG2 3.79Å
380A93.3Very high96.1Very high48 Ų4835.9 Ų35.940%0.39720%0.2SC..THydrogen-bonded Turntrans-63.7-22171.200000113.2L376 L377 V378L376-A380 PolarHBondContact O-N 3.35Å; L377-A380 VanDerWaalsContact O-CB 3.31Å; L377-A380 WeakPolarHBondContact O-CB 3.41Å; L377-A380 PolarHBondContact O-N 2.84Å; V378-A380 PolarHBondContact O-N 3.07Å; V378-A380 VanDerWaalsContact O-N 3.08Å
381F93.4Very high96.1Very high110 Ų11035.9 Ų35.948%0.48220%0.2SC..THydrogen-bonded Turntrans-110.65.4-177.6-57.2-86.2000113.7M350 V378 A379 L412M350-F381 HydrophobicContact CE-CE2 3.66Å; M350-F381 HydrophobicContact CE-CZ 3.89Å; M350-F381 HydrophobicContact SD-CE2 4.31Å; V378-F381 PolarHBondContact O-N 2.97Å; A379-F381 PolarHBondContact O-N 3.17Å; F381-L412 HydrophobicContact CB-CD1 4.01Å; F381-L412 HydrophobicContact CB-CD2 4.33Å; F381-L412 HydrophobicContact CD1-CD2 3.92Å; F381-L412 HydrophobicContact CD2-CD1 3.88Å; F381-L412 HydrophobicContact CD2-CD2 4.08Å; F381-L412 HydrophobicContact CE1-CD2 4.22Å; F381-L412 HydrophobicContact CE2-CD2 4.38Å; F381-L412 HydrophobicContact CG-CD1 4.03Å; F381-L412 HydrophobicContact CG-CD2 3.84Å; F381-L412 HydrophobicContact CZ-CD2 4.45Å
382L94.5Very high96.1Very high20 Ų2036 Ų3611%0.10520%0.201CC..SBendtrans-116.3154.4-175-68-173.3000111.6V378 A379 I384 D387 V388 L391 L408V378-L382 HydrophobicContact CG1-CD1 3.7Å; V378-L382 HydrophobicContact CG1-CG 4.1Å; A379-L382 PolarHBondContact O-N 2.63Å; L382-I384 PolarHBondContact O-N 3.27Å; L382-D387 HydrophobicContact CB-CB 3.79Å; L382-D387 HydrophobicContact CD1-CB 4.23Å; L382-D387 HydrophobicContact CD2-CB 4.11Å; L382-D387 HydrophobicContact CG-CB 4.26Å; L382-V388 HydrophobicContact CB-CG2 4.07Å; L382-L391 HydrophobicContact CD1-CD2 3.88Å; L382-L408 HydrophobicContact CD2-CD1 3.93Å; L382-L408 HydrophobicContact CD2-CD2 3.81Å
383D95.3Very high96.1Very high79 Ų7937.6 Ų37.642%0.42222%0.215SC..  trans-70.4124.2169.9-175.8-88.9000110.6K385 A386 D387 V388D383-K385 PolarHBondContact O-N 3.29Å; D383-K385 WeakPolarHBondContact OD1-CA 3.31Å; D383-K385 WeakPolarHBondContact OD1-CB 3.28Å; D383-K385 PolarHBondContact OD1-N 2.76Å; D383-A386 HydrophobicContact CB-CB 4.4Å; D383-A386 PolarHBondContact OD1-N 3.03Å; D383-D387 HydrophobicContact CB-CB 4.49Å; D383-D387 WeakPolarHBondContact CB-OD2 3.2Å; D383-D387 PolarHBondContact N-OD2 3.45Å; D383-D387 WeakPolarHBondContact O-CB 3.49Å; D383-D387 PolarHBondContact O-N 2.91Å; D383-V388 PolarHBondContact O-N 2.85Å; D383-V388 VanDerWaalsContact O-N 3.07Å
384I94.7Very high96.1Very high57 Ų5737.9 Ų37.929%0.29222%0.217SC..THydrogen-bonded Turntrans-64.6-24.5-176.7-168174.2000113.6A197 R198 A201 L382 P389A197-I384 VanDerWaalsContact C-CD1 3.5Å; A197-I384 HydrophobicContact CB-CD1 3.77Å; A197-I384 WeakPolarHBondContact O-CD1 3.48Å; R198-I384 HydrophobicContact CG-CD1 3.94Å; R198-I384 HydrophobicContact CG-CG1 4.36Å; A201-I384 HydrophobicContact CB-CD1 4.26Å; A201-I384 HydrophobicContact CB-CG1 3.74Å; L382-I384 PolarHBondContact O-N 3.27Å; I384-P389 WeakPolarHBondContact O-CD 3.14Å
385K94.5Very high96.1Very high183 Ų18338 Ų3880%0.79622%0.218SC*.THydrogen-bonded Turntrans-96.1-30.2-175.6-61.2-175.6180176.80112.7D383D383-K385 PolarHBondContact O-N 3.29Å; D383-K385 WeakPolarHBondContact OD1-CA 3.31Å; D383-K385 WeakPolarHBondContact OD1-CB 3.28Å; D383-K385 PolarHBondContact OD1-N 2.76Å
386A94.7Very high96.1Very high58 Ų5843.3 Ų43.348%0.47924%0.241SC..THydrogen-bonded Turntrans-106.6-56.8-176.700000112.3D383 A390D383-A386 HydrophobicContact CB-CB 4.4Å; D383-A386 PolarHBondContact OD1-N 3.03Å; A386-A390 WeakPolarHBondContact O-CB 3.5Å; A386-A390 PolarHBondContact O-N 2.74Å
387D96.7Very high96.1Very high43 Ų4348.3 Ų48.323%0.2327%0.268CS..Hα-helixtrans-80.8-44.4-167.5-64.1-43.3000112.6L382 D383 A390 L391 Y405L382-D387 HydrophobicContact CB-CB 3.79Å; L382-D387 HydrophobicContact CD1-CB 4.23Å; L382-D387 HydrophobicContact CD2-CB 4.11Å; L382-D387 HydrophobicContact CG-CB 4.26Å; D383-D387 HydrophobicContact CB-CB 4.49Å; D383-D387 WeakPolarHBondContact CB-OD2 3.2Å; D383-D387 PolarHBondContact N-OD2 3.45Å; D383-D387 WeakPolarHBondContact O-CB 3.49Å; D383-D387 PolarHBondContact O-N 2.91Å; D387-A390 PolarHBondContact O-N 3.47Å; D387-L391 WeakPolarHBondContact O-CB 3.25Å; D387-L391 PolarHBondContact O-N 3.09Å; D387-Y405 HydrophobicContact CB-CE1 3.86Å; D387-Y405 VanDerWaalsContact OD1-CE1 3.32Å; D387-Y405 WeakPolarHBondContact OD1-CE1 3.46Å; D387-Y405 PolarHBondContact OD1-OH 3.12Å
388V97Very high96.2Very high3 Ų349.8 Ų49.82%0.01827%0.274CS..Hα-helixtrans-59.5-48.5179.9172.10000111.6A201 I202 A379 L382 D383 A390 L391 T392A201-V388 HydrophobicContact CB-CG1 4.01Å; I202-V388 HydrophobicContact CG1-CG1 3.69Å; A379-V388 HydrophobicContact CB-CG2 3.79Å; L382-V388 HydrophobicContact CB-CG2 4.07Å; D383-V388 PolarHBondContact O-N 2.85Å; D383-V388 VanDerWaalsContact O-N 3.07Å; V388-A390 VanDerWaalsContact C-N 3.35Å; V388-A390 PolarHBondContact O-N 3.32Å; V388-L391 PolarHBondContact O-N 2.91Å; V388-T392 HydrophobicContact CG1-CG2 4.46Å; V388-T392 WeakPolarHBondContact O-CB 3.19Å; V388-T392 WeakPolarHBondContact O-CG2 3.29Å; V388-T392 PolarHBondContact O-N 2.86Å; V388-T392 PolarHBondContact O-OG1 2.79Å
389P96.2Very high96.3Very high49 Ų4952.1 Ų52.132%0.31829%0.29SS..Hα-helixtrans-62.7-37.4175.5-25.136.9000113.4I384 T392 A393I384-P389 WeakPolarHBondContact O-CD 3.14Å; P389-T392 WeakPolarHBondContact CA-OG1 3.15Å; P389-T392 PolarHBondContact O-OG1 3.38Å; P389-A393 WeakPolarHBondContact O-CB 3.26Å; P389-A393 PolarHBondContact O-N 3.42Å
390A96.7Very high96.4Very high38 Ų3858 Ų5831%0.31433%0.325SS..Hα-helixtrans-65.8-45.6178.700000111.9A386 D387 V388 C394 Y405A386-A390 WeakPolarHBondContact O-CB 3.5Å; A386-A390 PolarHBondContact O-N 2.74Å; D387-A390 PolarHBondContact O-N 3.47Å; V388-A390 VanDerWaalsContact C-N 3.35Å; V388-A390 PolarHBondContact O-N 3.32Å; A390-C394 PolarHBondContact O-N 3.11Å; A390-C394 PolarHBondContact O-SG 2.94Å; A390-Y405 HydrophobicContact CB-CE2 4.21Å
391L97.6Very high96.5Very high4 Ų455.8 Ų55.82%0.02131%0.307CS..Hα-helixtrans-67-45179.8-170.965.2000111.6I369 L375 V378 L382 D387 V388 C394 V395 V401 Y405 I409I369-L391 HydrophobicContact CD1-CD1 3.57Å; I369-L391 HydrophobicContact CD1-CD2 4.48Å; I369-L391 HydrophobicContact CD1-CG 4.06Å; L375-L391 HydrophobicContact CD2-CD2 3.88Å; L375-L391 HydrophobicContact CD2-CG 4.24Å; V378-L391 HydrophobicContact CG1-CD2 4.24Å; L382-L391 HydrophobicContact CD1-CD2 3.88Å; D387-L391 WeakPolarHBondContact O-CB 3.25Å; D387-L391 PolarHBondContact O-N 3.09Å; V388-L391 PolarHBondContact O-N 2.91Å; L391-C394 WeakPolarHBondContact O-CB 3.36Å; L391-C394 PolarHBondContact O-N 2.78Å; L391-C394 VanDerWaalsContact O-N 3.15Å; L391-V395 PolarHBondContact O-N 2.76Å; L391-V395 VanDerWaalsContact O-N 3.15Å; L391-V401 HydrophobicContact CD1-CG1 3.87Å; L391-Y405 HydrophobicContact CD1-CG 4.47Å; L391-I409 HydrophobicContact CD1-CD1 4.24Å; L391-I409 HydrophobicContact CD2-CD1 4.16Å
392T98.2Very high96.7Very high2 Ų253.6 Ų53.61%0.01230%0.304CS..Hα-helixtrans-70.6-31179.350.80000113.2I202 G205 L206 L375 V388 P389 C394 V395 K396I202-T392 HydrophobicContact CB-CG2 4.28Å; I202-T392 HydrophobicContact CG1-CG2 4.33Å; I202-T392 HydrophobicContact CG2-CG2 3.98Å; G205-T392 WeakPolarHBondContact CA-OG1 3.47Å; L206-T392 HydrophobicContact CG-CG2 4.35Å; L375-T392 HydrophobicContact CD1-CG2 4.39Å; V388-T392 HydrophobicContact CG1-CG2 4.46Å; V388-T392 WeakPolarHBondContact O-CB 3.19Å; V388-T392 WeakPolarHBondContact O-CG2 3.29Å; V388-T392 PolarHBondContact O-N 2.86Å; V388-T392 PolarHBondContact O-OG1 2.79Å; P389-T392 WeakPolarHBondContact CA-OG1 3.15Å; P389-T392 PolarHBondContact O-OG1 3.38Å; T392-C394 VanDerWaalsContact C-N 3.26Å; T392-C394 PolarHBondContact O-N 3.29Å; T392-V395 PolarHBondContact O-N 2.86Å; T392-K396 WeakPolarHBondContact O-CB 3.44Å; T392-K396 PolarHBondContact O-N 3.5Å
393A97.3Very high96.8Very high37 Ų3759.6 Ų59.631%0.30633%0.331SS..Hα-helixtrans-61.8-35.6169.400000112P389 N397P389-A393 WeakPolarHBondContact O-CB 3.26Å; P389-A393 PolarHBondContact O-N 3.42Å; A393-N397 WeakPolarHBondContact O-CB 3.43Å; A393-N397 PolarHBondContact O-N 3.25Å; A393-N397 PolarHBondContact O-ND2 3.03Å; A393-N397 VanDerWaalsContact O-ND2 3.11Å
394C98.1Very high96.8Very high13 Ų1358.4 Ų58.49%0.08834%0.338CS..Hα-helixtrans-65.3-43.9173.5-61.50000111.3V366 A390 L391 T392 Q398 S399 V401V366-C394 WeakPolarHBondContact CG2-O 3.33Å; A390-C394 PolarHBondContact O-N 3.11Å; A390-C394 PolarHBondContact O-SG 2.94Å; L391-C394 WeakPolarHBondContact O-CB 3.36Å; L391-C394 PolarHBondContact O-N 2.78Å; L391-C394 VanDerWaalsContact O-N 3.15Å; T392-C394 VanDerWaalsContact C-N 3.26Å; T392-C394 PolarHBondContact O-N 3.29Å; C394-Q398 CarbonylContact O-C 3.58Å; C394-Q398 VanDerWaalsContact O-CA 3.23Å; C394-Q398 WeakPolarHBondContact O-CA 3.45Å; C394-Q398 PolarHBondContact O-N 2.83Å; C394-S399 WeakPolarHBondContact CA-OG 3.35Å; C394-S399 PolarHBondContact O-N 2.71Å; C394-V401 HydrophobicContact CB-CG2 4.04Å
395V98.1Very high96.9Very high3 Ų357.9 Ų57.92%0.01833%0.333CS..Hα-helixtrans-62.8-46.7176.3173.10000111.3L206 L335 V366 I369 L375 L391 T392 N397 Q398L206-V395 HydrophobicContact CD2-CB 3.89Å; L206-V395 HydrophobicContact CD2-CG1 3.56Å; L335-V395 HydrophobicContact CD2-CG1 3.92Å; V366-V395 HydrophobicContact CG2-CG2 4.39Å; I369-V395 HydrophobicContact CD1-CG2 4.02Å; I369-V395 HydrophobicContact CG1-CG2 4.06Å; L375-V395 HydrophobicContact CD1-CG2 4.31Å; L375-V395 HydrophobicContact CD2-CG2 4.35Å; L391-V395 PolarHBondContact O-N 2.76Å; L391-V395 VanDerWaalsContact O-N 3.15Å; T392-V395 PolarHBondContact O-N 2.86Å; V395-N397 PolarHBondContact O-N 3.32Å; V395-Q398 PolarHBondContact O-N 2.99Å; V395-Q398 PolarHBondContact O-NE2 3.48Å
396K97.6Very high97Very high115 Ų11551.6 Ų51.650%0.531%0.306SS..Hα-helixtrans-58.3-47.9178.5-175.7-177.7-177.7176.90112.3G205 T392 Q398G205-K396 WeakPolarHBondContact O-CD 3.28Å; T392-K396 WeakPolarHBondContact O-CB 3.44Å; T392-K396 PolarHBondContact O-N 3.5Å; K396-Q398 VanDerWaalsContact C-N 3.31Å
397N97.5Very high97Very high116 Ų11653.5 Ų53.562%0.6231%0.308SS*.Hα-helixtrans-88.1-1.8-176.8-61.9-38.7000113.1A393 V395 S399A393-N397 WeakPolarHBondContact O-CB 3.43Å; A393-N397 PolarHBondContact O-N 3.25Å; A393-N397 PolarHBondContact O-ND2 3.03Å; A393-N397 VanDerWaalsContact O-ND2 3.11Å; V395-N397 PolarHBondContact O-N 3.32Å; N397-S399 PolarHBondContact O-N 2.85Å
398Q97.5Very high96.9Very high63 Ų6354.5 Ų54.529%0.29431%0.313SS..THydrogen-bonded Turntrans50.438.6-173.7-64.8-68.6-47.300112.5K367 S370 C394 V395 K396K367-Q398 VanDerWaalsContact NZ-CD 3.27Å; S370-Q398 PolarHBondContact OG-NE2 2.96Å; C394-Q398 CarbonylContact O-C 3.58Å; C394-Q398 VanDerWaalsContact O-CA 3.23Å; C394-Q398 WeakPolarHBondContact O-CA 3.45Å; C394-Q398 PolarHBondContact O-N 2.83Å; V395-Q398 PolarHBondContact O-N 2.99Å; V395-Q398 PolarHBondContact O-NE2 3.48Å; K396-Q398 VanDerWaalsContact C-N 3.31Å
399S97.4Very high96.9Very high50 Ų5054.4 Ų54.435%0.3531%0.312SS..PPolyproline II helixtrans-91.1168.6-17966.20000111.9V366 C394 N397 V401V366-S399 WeakPolarHBondContact CB-O 3.31Å; V366-S399 WeakPolarHBondContact CG2-O 3.46Å; C394-S399 WeakPolarHBondContact CA-OG 3.35Å; C394-S399 PolarHBondContact O-N 2.71Å; N397-S399 PolarHBondContact O-N 2.85Å; S399-V401 PolarHBondContact O-N 3.35Å
400V97.3Very high96.8Very high127 Ų12756.5 Ų56.577%0.7732%0.318SS*.PPolyproline II helixtrans-61.8127.6176.9-178.30000109.8
401V97.2Very high96.6Very high2 Ų258.7 Ų58.71%0.01233%0.331CS..PPolyproline II helixtrans-75.5128.9173.81770000108.5F365 V366 I369 L391 C394 S399 Q406F365-V401 HydrophobicContact CD1-CB 3.93Å; F365-V401 HydrophobicContact CD1-CG1 4.12Å; F365-V401 HydrophobicContact CD1-CG2 3.97Å; F365-V401 HydrophobicContact CE1-CB 4.44Å; F365-V401 HydrophobicContact CE1-CG1 4.12Å; V366-V401 HydrophobicContact CB-CG2 3.93Å; V366-V401 HydrophobicContact CG2-CG2 4.15Å; I369-V401 HydrophobicContact CD1-CG2 3.9Å; L391-V401 HydrophobicContact CD1-CG1 3.87Å; C394-V401 HydrophobicContact CB-CG2 4.04Å; S399-V401 PolarHBondContact O-N 3.35Å; V401-Q406 HydrophobicContact CB-CG 4.12Å; V401-Q406 HydrophobicContact CG1-CG 3.91Å; V401-Q406 PolarHBondContact O-NE2 3.19Å
402P96.8Very high96.4Very high64 Ų6459.9 Ų59.942%0.41634%0.337SS..PPolyproline II helixtrans-53.3139.7176.1-26.932.9000112.8G404 Y405 Q406P402-G404 PolarHBondContact O-N 2.91Å; P402-G404 VanDerWaalsContact O-N 3.16Å; P402-Y405 HydrophobicContact CB-CD2 3.89Å; P402-Y405 HydrophobicContact CB-CE2 4.43Å; P402-Y405 HydrophobicContact CG-CD2 3.89Å; P402-Y405 HydrophobicContact CG-CE2 4.22Å; P402-Y405 PolarHBondContact O-N 3.44Å; P402-Q406 PolarHBondContact O-N 3.28Å
403E95.8Very high96.1Very high145 Ų14560.1 Ų60.168%0.67834%0.339SS*.Hα-helixtrans-53.7-38.9-175.1-174.4177.7-167.900113Y405 Q406 L407E403-Y405 VanDerWaalsContact C-N 3.31Å; E403-Y405 PolarHBondContact O-N 2.71Å; E403-Q406 WeakPolarHBondContact O-CB 3.47Å; E403-Q406 PolarHBondContact O-N 2.84Å; E403-Q406 VanDerWaalsContact O-N 3.09Å; E403-L407 HydrophobicContact CG-CD1 4.15Å; E403-L407 HydrophobicContact CG-CG 4.36Å; E403-L407 WeakPolarHBondContact O-CG 3.49Å; E403-L407 PolarHBondContact O-N 3.37Å
404G95.8Very high95.7Very high55 Ų5561.2 Ų61.257%0.56735%0.354SS*.Hα-helixtrans-58-39.7176.900000113.6P402 L408P402-G404 PolarHBondContact O-N 2.91Å; P402-G404 VanDerWaalsContact O-N 3.16Å; G404-L408 WeakPolarHBondContact O-CB 3.37Å; G404-L408 PolarHBondContact O-N 2.65Å
405Y96.5Very high94.8Very high46 Ų4666.1 Ų66.118%0.1840%0.396CS..Hα-helixtrans-72.9-35.1175.3-67.6-57.9000112D387 A390 L391 P402 E403 L408 I409D387-Y405 HydrophobicContact CB-CE1 3.86Å; D387-Y405 VanDerWaalsContact OD1-CE1 3.32Å; D387-Y405 WeakPolarHBondContact OD1-CE1 3.46Å; D387-Y405 PolarHBondContact OD1-OH 3.12Å; A390-Y405 HydrophobicContact CB-CE2 4.21Å; L391-Y405 HydrophobicContact CD1-CG 4.47Å; P402-Y405 HydrophobicContact CB-CD2 3.89Å; P402-Y405 HydrophobicContact CB-CE2 4.43Å; P402-Y405 HydrophobicContact CG-CD2 3.89Å; P402-Y405 HydrophobicContact CG-CE2 4.22Å; P402-Y405 PolarHBondContact O-N 3.44Å; E403-Y405 VanDerWaalsContact C-N 3.31Å; E403-Y405 PolarHBondContact O-N 2.71Å; Y405-L408 PolarHBondContact O-N 2.98Å; Y405-I409 WeakPolarHBondContact O-CB 3.29Å; Y405-I409 WeakPolarHBondContact O-CD1 3.21Å; Y405-I409 VanDerWaalsContact O-CG1 3.25Å; Y405-I409 WeakPolarHBondContact O-CG1 3.42Å; Y405-I409 PolarHBondContact O-N 3.23Å
406Q96.2Very high94.6Very high50 Ų5069.3 Ų69.323%0.23441%0.414CS..Hα-helixtrans-61.1-51175.3-58.3-169.622.100110.5F365 V401 P402 E403 L408 I409 E410F365-Q406 HydrophobicContact CD1-CG 3.74Å; F365-Q406 HydrophobicContact CD2-CB 4.38Å; F365-Q406 HydrophobicContact CD2-CG 4.19Å; F365-Q406 HydrophobicContact CE1-CB 4.23Å; F365-Q406 HydrophobicContact CE1-CG 3.83Å; F365-Q406 HydrophobicContact CE2-CB 4.09Å; F365-Q406 HydrophobicContact CE2-CG 4.27Å; F365-Q406 HydrophobicContact CG-CG 3.93Å; F365-Q406 HydrophobicContact CZ-CB 4.01Å; F365-Q406 HydrophobicContact CZ-CG 4.11Å; V401-Q406 HydrophobicContact CB-CG 4.12Å; V401-Q406 HydrophobicContact CG1-CG 3.91Å; V401-Q406 PolarHBondContact O-NE2 3.19Å; P402-Q406 PolarHBondContact O-N 3.28Å; E403-Q406 WeakPolarHBondContact O-CB 3.47Å; E403-Q406 PolarHBondContact O-N 2.84Å; E403-Q406 VanDerWaalsContact O-N 3.09Å; Q406-L408 VanDerWaalsContact C-N 3.32Å; Q406-L408 PolarHBondContact O-N 3.25Å; Q406-I409 PolarHBondContact O-N 2.95Å; Q406-E410 WeakPolarHBondContact O-CB 3.44Å; Q406-E410 WeakPolarHBondContact O-CG 3.32Å; Q406-E410 PolarHBondContact O-N 3.39Å
407L95.3Very high94.5Very high99 Ų9966.9 Ų66.952%0.51841%0.41SS..Hα-helixtrans-60.5-39.9178.1-68.8173.7000112.3E403 S411E403-L407 HydrophobicContact CG-CD1 4.15Å; E403-L407 HydrophobicContact CG-CG 4.36Å; E403-L407 WeakPolarHBondContact O-CG 3.49Å; E403-L407 PolarHBondContact O-N 3.37Å; L407-S411 WeakPolarHBondContact O-CB 3.41Å; L407-S411 PolarHBondContact O-N 3.24Å
408L95.1Very high94.3Very high64 Ų6464.2 Ų64.234%0.33540%0.398SS..Hα-helixtrans-62.4-48.6176.7-178.1151.9000111.2L382 G404 Y405 Q406 S411 L412L382-L408 HydrophobicContact CD2-CD1 3.93Å; L382-L408 HydrophobicContact CD2-CD2 3.81Å; G404-L408 WeakPolarHBondContact O-CB 3.37Å; G404-L408 PolarHBondContact O-N 2.65Å; Y405-L408 PolarHBondContact O-N 2.98Å; Q406-L408 VanDerWaalsContact C-N 3.32Å; Q406-L408 PolarHBondContact O-N 3.25Å; L408-S411 WeakPolarHBondContact O-CB 3.47Å; L408-S411 PolarHBondContact O-N 3.05Å; L408-L412 HydrophobicContact CD2-CD1 3.64Å; L408-L412 HydrophobicContact CD2-CG 4.24Å; L408-L412 WeakPolarHBondContact O-CG 3.44Å; L408-L412 PolarHBondContact O-N 3.2Å
409I95.7Very high94.1Very high1 Ų164.2 Ų64.21%0.00540%0.404CS..Hα-helixtrans-66.6-41.2-178.8-68.7166.6000111L353 L357 F365 I369 V378 L391 Y405 Q406 S411 L412 A413L353-I409 HydrophobicContact CD2-CG2 4.46Å; L357-I409 HydrophobicContact CD1-CG2 4.02Å; F365-I409 HydrophobicContact CE1-CD1 4.01Å; F365-I409 HydrophobicContact CZ-CB 4.03Å; F365-I409 HydrophobicContact CZ-CD1 4.14Å; F365-I409 HydrophobicContact CZ-CG2 3.98Å; I369-I409 HydrophobicContact CG2-CD1 4.36Å; V378-I409 HydrophobicContact CG1-CD1 4.26Å; V378-I409 HydrophobicContact CG1-CG1 3.88Å; V378-I409 HydrophobicContact CG2-CG1 4.37Å; L391-I409 HydrophobicContact CD1-CD1 4.24Å; L391-I409 HydrophobicContact CD2-CD1 4.16Å; Y405-I409 WeakPolarHBondContact O-CB 3.29Å; Y405-I409 WeakPolarHBondContact O-CD1 3.21Å; Y405-I409 VanDerWaalsContact O-CG1 3.25Å; Y405-I409 WeakPolarHBondContact O-CG1 3.42Å; Y405-I409 PolarHBondContact O-N 3.23Å; Q406-I409 PolarHBondContact O-N 2.95Å; I409-S411 VanDerWaalsContact C-N 3.32Å; I409-L412 PolarHBondContact O-N 3.44Å; I409-A413 WeakPolarHBondContact O-CB 3.42Å; I409-A413 PolarHBondContact O-N 3.34Å
410E94.4Very high93.9Very high92 Ų9265.1 Ų65.143%0.4341%0.408SS..Hα-helixtrans-65.9-35.8175.6-71.5179165.300112F365 Q406 A413 G414F365-E410 HydrophobicContact CE2-CG 4.15Å; Q406-E410 WeakPolarHBondContact O-CB 3.44Å; Q406-E410 WeakPolarHBondContact O-CG 3.32Å; Q406-E410 PolarHBondContact O-N 3.39Å; E410-A413 PolarHBondContact O-N 3.23Å; E410-G414 PolarHBondContact O-N 3.21Å
411S93.8Very high93.7Very high84 Ų8461 Ų6159%0.58738%0.384SS*.Hα-helixtrans-65.1-44.5173.2-175.40000111.8L407 L408 I409 A413 G414 A415L407-S411 WeakPolarHBondContact O-CB 3.41Å; L407-S411 PolarHBondContact O-N 3.24Å; L408-S411 WeakPolarHBondContact O-CB 3.47Å; L408-S411 PolarHBondContact O-N 3.05Å; I409-S411 VanDerWaalsContact C-N 3.32Å; S411-A413 VanDerWaalsContact C-N 3.26Å; S411-A413 PolarHBondContact O-N 2.99Å; S411-G414 PolarHBondContact O-N 3.01Å; S411-A415 PolarHBondContact O-N 2.95Å; S411-A415 VanDerWaalsContact O-N 3.11Å
412L93.2Very high93.4Very high29 Ų2965.2 Ų65.215%0.15241%0.41CS..Hα-helixtrans-60.1-36.4173.6-70.9175.4000112.1L353 F381 L408 I409 G414L353-L412 HydrophobicContact CD2-CB 4.01Å; F381-L412 HydrophobicContact CB-CD1 4.01Å; F381-L412 HydrophobicContact CB-CD2 4.33Å; F381-L412 HydrophobicContact CD1-CD2 3.92Å; F381-L412 HydrophobicContact CD2-CD1 3.88Å; F381-L412 HydrophobicContact CD2-CD2 4.08Å; F381-L412 HydrophobicContact CE1-CD2 4.22Å; F381-L412 HydrophobicContact CE2-CD2 4.38Å; F381-L412 HydrophobicContact CG-CD1 4.03Å; F381-L412 HydrophobicContact CG-CD2 3.84Å; F381-L412 HydrophobicContact CZ-CD2 4.45Å; L408-L412 HydrophobicContact CD2-CD1 3.64Å; L408-L412 HydrophobicContact CD2-CG 4.24Å; L408-L412 WeakPolarHBondContact O-CG 3.44Å; L408-L412 PolarHBondContact O-N 3.2Å; I409-L412 PolarHBondContact O-N 3.44Å; L412-G414 VanDerWaalsContact C-N 3.31Å
413A91.4Very high93.2Very high8 Ų865.3 Ų65.37%0.06641%0.41CS..Hα-helixtrans-72.1-24.517600000113.2L353 K354 L357 I409 E410 S411L353-A413 HydrophobicContact CB-CB 4.4Å; L353-A413 HydrophobicContact CD2-CB 4.05Å; L353-A413 HydrophobicContact CG-CB 3.94Å; K354-A413 HydrophobicContact CB-CB 4.14Å; K354-A413 WeakPolarHBondContact CB-O 3.47Å; L357-A413 HydrophobicContact CD1-CB 3.98Å; I409-A413 WeakPolarHBondContact O-CB 3.42Å; I409-A413 PolarHBondContact O-N 3.34Å; E410-A413 PolarHBondContact O-N 3.23Å; S411-A413 VanDerWaalsContact C-N 3.26Å; S411-A413 PolarHBondContact O-N 2.99Å
414G88.1Confident93Very high59 Ų5958.7 Ų58.761%0.60839%0.388SS*.Hα-helixtrans-87.1-17.6179.100000114.9E410 S411 L412E410-G414 PolarHBondContact O-N 3.21Å; S411-G414 PolarHBondContact O-N 3.01Å; L412-G414 VanDerWaalsContact C-N 3.31Å
415A79.9Confident92.7Very high117 Ų11759 Ų5997%0.96737%0.371SS*.  trans-76.30177.100000111.8S411S411-A415 PolarHBondContact O-N 2.95Å; S411-A415 VanDerWaalsContact O-N 3.11Å

Retrieved 415 of 415 residues in 1277 ms (Link to these results)

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