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Isoform 2 of NPL4-like protein AlphaSync

Canonical isoform description: 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 Q9AS33-2 (canonical: Q9AS33), Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 351 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
1M89.2Confident87.5Confident45 Ų4558.1 Ų58.122%0.22228%0.279CS..  0138.70178.8178.566.400109.2L3 V16 P19 L73 S74 N75M1-L3 HydrophobicContact CE-CD1 3.82Å; M1-L3 HydrophobicContact CE-CD2 3.51Å; M1-L3 HydrophobicContact CE-CG 3.69Å; M1-L3 HydrophobicContact CG-CD2 4.45Å; M1-L3 HydrophobicContact SD-CD2 4.06Å; M1-V16 PolarHBondContact N-O 3.38Å; M1-V16 PolarHBondContact O-N 3.47Å; M1-P19 HydrophobicContact CB-CB 3.81Å; M1-P19 HydrophobicContact CB-CG 4.12Å; M1-P19 HydrophobicContact CE-CB 4.45Å; M1-L73 HydrophobicContact CE-CB 4.13Å; M1-L73 HydrophobicContact SD-CB 4.35Å; M1-S74 VanDerWaalsContact SD-C 3.54Å; M1-N75 HydrophobicContact CG-CB 4.34Å
2I89.6Confident87.6Confident61 Ų6156.7 Ų56.731%0.31327%0.274SS..EExtended strand (participates in β ladder)trans-98.7127.1173.8-57.1174.7000109.2R13 I14 N75 G76I2-R13 HydrophobicContact CG2-CB 4.18Å; I2-I14 WeakPolarHBondContact CA-O 3.22Å; I2-N75 WeakPolarHBondContact CA-OD1 3.49Å; I2-N75 WeakPolarHBondContact CB-OD1 3.24Å; I2-N75 PolarHBondContact N-OD1 2.76Å; I2-N75 PolarHBondContact O-OD1 2.83Å; I2-G76 PolarHBondContact O-N 2.92Å
3L92.2Very high87.6Confident0 Ų066.4 Ų66.40%031%0.306CS..EExtended strand (participates in β ladder)trans-108.8143.6173.5-66.5177.5000110.5M1 I5 I14 V16 L27 L73 V79M1-L3 HydrophobicContact CE-CD1 3.82Å; M1-L3 HydrophobicContact CE-CD2 3.51Å; M1-L3 HydrophobicContact CE-CG 3.69Å; M1-L3 HydrophobicContact CG-CD2 4.45Å; M1-L3 HydrophobicContact SD-CD2 4.06Å; L3-I5 HydrophobicContact CB-CD1 4.18Å; L3-I14 PolarHBondContact N-O 3.01Å; L3-I14 PolarHBondContact O-N 2.87Å; L3-V16 HydrophobicContact CD1-CG2 3.95Å; L3-V16 HydrophobicContact CG-CG2 4.33Å; L3-L27 HydrophobicContact CD1-CD1 3.93Å; L3-L27 HydrophobicContact CD1-CD2 4.02Å; L3-L73 HydrophobicContact CD1-CD1 4.24Å; L3-L73 HydrophobicContact CD2-CB 4.35Å; L3-L73 HydrophobicContact CD2-CD1 4.38Å; L3-L73 HydrophobicContact CD2-CD2 4.1Å; L3-V79 HydrophobicContact CD1-CG2 4.28Å
4R91.5Very high87.8Confident94 Ų9462.1 Ų62.136%0.35529%0.287SS..EExtended strand (participates in β ladder)trans-99.3107.4175.9-62.9176.771.9174.22.5109R6 T11 D12 G76 S77 F78 V79R4-R6 PolarHBondContact O-N 3.05Å; R4-T11 HydrophobicContact CB-CG2 3.99Å; R4-D12 CarbonylContact C-O 3.53Å; R4-G76 WeakPolarHBondContact CD-O 3.4Å; R4-S77 PolarHBondContact N-O 3.24Å; R4-F78 HydrophobicContact CB-CD1 3.66Å; R4-F78 HydrophobicContact CB-CE1 3.77Å; R4-F78 HydrophobicContact CB-CG 4.24Å; R4-F78 HydrophobicContact CB-CZ 4.42Å; R4-F78 VanDerWaalsContact O-CA 3.31Å; R4-F78 WeakPolarHBondContact O-CA 3.14Å; R4-V79 PolarHBondContact O-N 2.79Å
5I93.4Very high88.1Confident0 Ų064.1 Ų64.10%031%0.305CS..EExtended strand (participates in β ladder)trans-89.7105.8-179.7-48.7-53.1000109L3 T11 D12 I14 L27 I31 V79 L81L3-I5 HydrophobicContact CB-CD1 4.18Å; I5-T11 CarbonylContact O-C 3.5Å; I5-T11 VanDerWaalsContact O-CA 3.29Å; I5-T11 WeakPolarHBondContact O-CA 3.45Å; I5-D12 HydrophobicContact CB-CB 4.41Å; I5-D12 PolarHBondContact N-O 2.78Å; I5-D12 PolarHBondContact O-N 2.81Å; I5-I14 HydrophobicContact CD1-CD1 4.39Å; I5-I14 HydrophobicContact CG1-CB 4.21Å; I5-I14 HydrophobicContact CG1-CD1 3.56Å; I5-I14 HydrophobicContact CG1-CG1 3.74Å; I5-L27 HydrophobicContact CD1-CD1 4.29Å; I5-I31 HydrophobicContact CD1-CD1 4.23Å; I5-I31 HydrophobicContact CD1-CG1 4.49Å; I5-I31 HydrophobicContact CG1-CD1 4.42Å; I5-I31 HydrophobicContact CG1-CG1 4.27Å; I5-I31 HydrophobicContact CG2-CD1 4.25Å; I5-I31 HydrophobicContact CG2-CG1 4.48Å; I5-V79 CarbonylContact C-O 3.56Å; I5-V79 VanDerWaalsContact CA-O 3.26Å; I5-V79 WeakPolarHBondContact CA-O 3.5Å; I5-V79 HydrophobicContact CD1-CB 3.8Å; I5-V79 HydrophobicContact CD1-CG1 4.45Å; I5-V79 HydrophobicContact CD1-CG2 4.33Å; I5-L81 HydrophobicContact CG2-CB 3.59Å; I5-L81 HydrophobicContact CG2-CD2 3.88Å; I5-L81 HydrophobicContact CG2-CG 4.37Å
6R89.9Confident88.4Confident122 Ų12260.1 Ų60.146%0.4629%0.286SS..EExtended strand (participates in β ladder)trans-96.1123.1179.8-171.3164.5176.4171.82.2110.4R4 L51 F78 V79 Y80 L81R4-R6 PolarHBondContact O-N 3.05Å; R6-L51 HydrophobicContact CB-CD1 4.48Å; R6-L51 HydrophobicContact CG-CD1 3.87Å; R6-F78 HydrophobicContact CB-CD1 4.08Å; R6-F78 HydrophobicContact CB-CE1 4.38Å; R6-V79 PolarHBondContact N-O 3.46Å; R6-Y80 HydrophobicContact CB-CD1 3.95Å; R6-Y80 HydrophobicContact CB-CE1 4.13Å; R6-Y80 HydrophobicContact CG-CD1 4.33Å; R6-Y80 HydrophobicContact CG-CE1 4.34Å; R6-Y80 CarbonylContact O-C 3.49Å; R6-Y80 WeakPolarHBondContact O-CA 3.4Å; R6-L81 PolarHBondContact O-N 3.38Å
7S90.3Very high88.2Confident7 Ų763.2 Ų63.25%0.04931%0.313CS..EExtended strand (participates in β ladder)trans-121.9-179.617671.10000110.8D9 G10 L81 Y83S7-D9 PolarHBondContact O-N 2.98Å; S7-D9 PolarHBondContact OG-N 3.22Å; S7-G10 PolarHBondContact N-O 2.83Å; S7-G10 PolarHBondContact OG-O 2.98Å; S7-L81 WeakPolarHBondContact CA-O 3.44Å; S7-L81 WeakPolarHBondContact CB-O 3.22Å; S7-Y83 PolarHBondContact OG-OH 2.86Å
8R82Confident88.2Confident124 Ų12464.6 Ų64.647%0.46832%0.321SS..THydrogen-bonded Turntrans-64.3-22.1170.158.2154.5169.1-103.9-30.3113.7Y83 P84 P85R8-Y83 PolarHBondContact NH1-O 3.36Å; R8-Y83 PolarHBondContact NH2-O 2.95Å; R8-P84 PolarHBondContact NH2-O 3.42Å; R8-P85 VanDerWaalsContact NH2-N 3.14Å
9D77.8Confident88Confident91 Ų9163.8 Ų63.849%0.48732%0.322SS..THydrogen-bonded Turntrans-97.3-1.9-174.3-57.3-29.4000112.4S7 Y83 R88S7-D9 PolarHBondContact O-N 2.98Å; S7-D9 PolarHBondContact OG-N 3.22Å; D9-Y83 PolarHBondContact OD2-OH 2.83Å; D9-R88 IonicContact OD2-CZ 3.96Å; D9-R88 IonicContact OD2-NE 2.69Å; D9-R88 PolarHBondContact OD2-NE 2.94Å; D9-R88 IonicContact OD2-NH2 3.89Å
10G81.2Confident87.9Confident33 Ų3364.6 Ų64.634%0.3434%0.338SS..EExtended strand (participates in β ladder)trans139.1-166.3-178.700000113.5S7S7-G10 PolarHBondContact N-O 2.83Å; S7-G10 PolarHBondContact OG-O 2.98Å
11T85.3Confident87.9Confident62 Ų6264.6 Ų64.638%0.3835%0.347SS..EExtended strand (participates in β ladder)trans-120.1119.5177.5-56.30000110.5R4 I5 F78R4-T11 HydrophobicContact CB-CG2 3.99Å; I5-T11 CarbonylContact O-C 3.5Å; I5-T11 VanDerWaalsContact O-CA 3.29Å; I5-T11 WeakPolarHBondContact O-CA 3.45Å; T11-F78 HydrophobicContact CG2-CE1 4.04Å
12D88.3Confident88Confident41 Ų4162.9 Ų62.922%0.21934%0.34CS..EExtended strand (participates in β ladder)trans-98.6143.8175.7-71.9-75.9000110.7R4 I5 V35 R88R4-D12 CarbonylContact C-O 3.53Å; I5-D12 HydrophobicContact CB-CB 4.41Å; I5-D12 PolarHBondContact N-O 2.78Å; I5-D12 PolarHBondContact O-N 2.81Å; D12-V35 HydrophobicContact CB-CG2 4Å; D12-R88 IonicContact OD2-NH2 2.75Å
13R87.9Confident88.3Confident183 Ų18361.4 Ų61.469%0.69134%0.335SS*.EExtended strand (participates in β ladder)trans-98.1124.1171.9-66.3-177.3-177177.51.7109.2I2I2-R13 HydrophobicContact CG2-CB 4.18Å
14I90.5Very high88.5Confident7 Ų761.5 Ų61.54%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-117.8122.9177.7-64-169.4000109.8I2 L3 I5 L27 L30 I31 R34 V35I2-I14 WeakPolarHBondContact CA-O 3.22Å; L3-I14 PolarHBondContact N-O 3.01Å; L3-I14 PolarHBondContact O-N 2.87Å; I5-I14 HydrophobicContact CD1-CD1 4.39Å; I5-I14 HydrophobicContact CG1-CB 4.21Å; I5-I14 HydrophobicContact CG1-CD1 3.56Å; I5-I14 HydrophobicContact CG1-CG1 3.74Å; I14-L27 HydrophobicContact CG2-CD1 4.37Å; I14-L30 HydrophobicContact CG2-CB 3.69Å; I14-L30 HydrophobicContact CG2-CD1 3.99Å; I14-L30 HydrophobicContact CG2-CG 4.4Å; I14-I31 HydrophobicContact CD1-CB 4.09Å; I14-I31 HydrophobicContact CD1-CG1 3.33Å; I14-R34 HydrophobicContact CD1-CB 4.43Å; I14-R34 HydrophobicContact CG1-CG 4.48Å; I14-V35 HydrophobicContact CD1-CG2 4.39Å
15T92.5Very high88.7Confident91 Ų9157.4 Ų57.456%0.55832%0.322SS*.EExtended strand (participates in β ladder)trans-85.5119.6172.7-56.80000109.6P17T15-P17 WeakPolarHBondContact O-CD 3.26Å
16V92.3Very high88.7Confident1 Ų159.8 Ų59.81%0.00634%0.335CS..  trans-93.7111.8171.2-176.70000108.2M1 L3 A22 L27 L30 L68M1-V16 PolarHBondContact N-O 3.38Å; M1-V16 PolarHBondContact O-N 3.47Å; L3-V16 HydrophobicContact CD1-CG2 3.95Å; L3-V16 HydrophobicContact CG-CG2 4.33Å; V16-A22 HydrophobicContact CG1-CB 3.54Å; V16-L27 HydrophobicContact CG2-CD1 4.43Å; V16-L30 HydrophobicContact CG2-CD1 4.2Å; V16-L68 HydrophobicContact CG1-CD1 4.03Å; V16-L68 HydrophobicContact CG2-CD1 4.33Å
17P85.8Confident89Confident113 Ų11354 Ų5473%0.73431%0.313SS*.SBendtrans-64.1-48.3-172.2-23.834.3000113.9T15 P19T15-P17 WeakPolarHBondContact O-CD 3.26Å; P17-P19 WeakPolarHBondContact O-CD 3.32Å
18D88.4Confident89.2Confident87 Ų8754.9 Ų54.947%0.46532%0.316SS..  trans-120.387.2178.9-175.4-7.2000110A20 A21 A22D18-A20 PolarHBondContact O-N 2.9Å; D18-A20 PolarHBondContact OD1-N 3.4Å; D18-A20 VanDerWaalsContact OD1-N 3.15Å; D18-A21 HydrophobicContact CB-CB 4.48Å; D18-A21 PolarHBondContact O-N 3.19Å; D18-A21 PolarHBondContact OD1-N 3.28Å; D18-A21 VanDerWaalsContact OD2-CB 3.28Å; D18-A21 WeakPolarHBondContact OD2-CB 3.38Å; D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 3.24Å
19P83.4Confident89.8Confident51 Ų5156 Ų5633%0.33132%0.32SS..THydrogen-bonded Turntrans-67.5-17.6-177.128.7-35000113.5M1 P17M1-P19 HydrophobicContact CB-CB 3.81Å; M1-P19 HydrophobicContact CB-CG 4.12Å; M1-P19 HydrophobicContact CE-CB 4.45Å; P17-P19 WeakPolarHBondContact O-CD 3.32Å
20A85.5Confident90.6Very high78 Ų7854.1 Ų54.165%0.64531%0.31SS*.THydrogen-bonded Turntrans-78.9-36.5179.700000111.6D18D18-A20 PolarHBondContact O-N 2.9Å; D18-A20 PolarHBondContact OD1-N 3.4Å; D18-A20 VanDerWaalsContact OD1-N 3.15Å
21A89.4Confident91.2Very high65 Ų6552.6 Ų52.654%0.53729%0.294SS..THydrogen-bonded Turntrans-96.8-16.4178.200000114.4D18D18-A21 HydrophobicContact CB-CB 4.48Å; D18-A21 PolarHBondContact O-N 3.19Å; D18-A21 PolarHBondContact OD1-N 3.28Å; D18-A21 VanDerWaalsContact OD2-CB 3.28Å; D18-A21 WeakPolarHBondContact OD2-CB 3.38Å
22A91.7Very high91.5Very high9 Ų951 Ų517%0.07429%0.288CS..  trans-67.5141.3-175.400000113.2V16 D18 D26 L68V16-A22 HydrophobicContact CG1-CB 3.54Å; D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 3.24Å; A22-D26 HydrophobicContact CB-CB 4.38Å; A22-L68 HydrophobicContact CB-CD1 3.7Å; A22-L68 HydrophobicContact CB-CG 4.23Å; A22-L68 WeakPolarHBondContact O-CB 3.38Å; A22-L68 WeakPolarHBondContact O-CG 3.36Å; A22-L68 PolarHBondContact O-N 3.42Å
23T95.6Very high91.5Very high31 Ų3153.2 Ų53.219%0.1931%0.311CS..BIsolated β-bridgetrans-106.1168.3176.763.20000112G25 D26 L27 P64 A66T23-G25 PolarHBondContact O-N 3.46Å; T23-G25 PolarHBondContact OG1-N 2.97Å; T23-D26 WeakPolarHBondContact CB-OD2 3.37Å; T23-D26 PolarHBondContact N-OD2 3.42Å; T23-D26 WeakPolarHBondContact O-CB 3.13Å; T23-D26 PolarHBondContact O-N 3.06Å; T23-D26 VanDerWaalsContact O-N 3.13Å; T23-D26 PolarHBondContact OG1-N 2.96Å; T23-D26 VanDerWaalsContact OG1-N 3.17Å; T23-D26 PolarHBondContact OG1-OD2 2.83Å; T23-L27 PolarHBondContact O-N 3.5Å; T23-L27 VanDerWaalsContact O-N 3.11Å; T23-P64 VanDerWaalsContact CB-O 3.31Å; T23-P64 WeakPolarHBondContact CB-O 3.35Å; T23-P64 PolarHBondContact OG1-O 2.89Å; T23-A66 CarbonylContact C-O 3.57Å; T23-A66 VanDerWaalsContact CA-O 3.3Å; T23-A66 WeakPolarHBondContact CA-O 3.4Å
24V95.5Very high91.5Very high2 Ų252.8 Ų52.81%0.01231%0.31CS..Hα-helixtrans-56.5-36.8169172.90000110.8D26 L27 Q28 L61 D63 A66 L68 L71V24-D26 PolarHBondContact O-N 3.04Å; V24-L27 WeakPolarHBondContact O-CB 3.06Å; V24-L27 PolarHBondContact O-N 2.83Å; V24-Q28 WeakPolarHBondContact O-CG 3.37Å; V24-Q28 PolarHBondContact O-N 3.17Å; V24-L61 HydrophobicContact CG1-CB 4.07Å; V24-L61 HydrophobicContact CG2-CB 4.42Å; V24-D63 WeakPolarHBondContact CB-O 3.46Å; V24-A66 HydrophobicContact CG2-CB 4.03Å; V24-A66 PolarHBondContact N-O 3.39Å; V24-L68 HydrophobicContact CG2-CD2 4.17Å; V24-L71 HydrophobicContact CG2-CD1 4.12Å
25G95.4Very high91.2Very high7 Ų752.6 Ų52.67%0.07231%0.309CS..Hα-helixtrans-64.4-36.2175.600000113.4T23 Q28 R29 P64T23-G25 PolarHBondContact O-N 3.46Å; T23-G25 PolarHBondContact OG1-N 2.97Å; G25-Q28 PolarHBondContact O-N 3.02Å; G25-R29 WeakPolarHBondContact O-CG 3.45Å; G25-R29 PolarHBondContact O-N 2.76Å; G25-P64 PolarHBondContact N-O 3.47Å
26D95Very high90.9Very high51 Ų5150 Ų5027%0.27329%0.293SS..Hα-helixtrans-64.3-44.8172.2-64.5-54.5000111.4A22 T23 V24 Q28 R29 L30A22-D26 HydrophobicContact CB-CB 4.38Å; T23-D26 WeakPolarHBondContact CB-OD2 3.37Å; T23-D26 PolarHBondContact N-OD2 3.42Å; T23-D26 WeakPolarHBondContact O-CB 3.13Å; T23-D26 PolarHBondContact O-N 3.06Å; T23-D26 VanDerWaalsContact O-N 3.13Å; T23-D26 PolarHBondContact OG1-N 2.96Å; T23-D26 VanDerWaalsContact OG1-N 3.17Å; T23-D26 PolarHBondContact OG1-OD2 2.83Å; V24-D26 PolarHBondContact O-N 3.04Å; D26-Q28 VanDerWaalsContact C-N 3.33Å; D26-Q28 PolarHBondContact O-N 2.75Å; D26-R29 WeakPolarHBondContact O-CB 3.42Å; D26-R29 PolarHBondContact O-N 2.85Å; D26-R29 IonicContact OD1-CZ 3.88Å; D26-R29 IonicContact OD1-NE 3.4Å; D26-R29 IonicContact OD1-NH2 2.64Å; D26-R29 PolarHBondContact OD1-NH2 3.37Å; D26-L30 WeakPolarHBondContact O-CG 3.34Å; D26-L30 PolarHBondContact O-N 3.42Å
27L94.9Very high90.8Very high1 Ų150 Ų501%0.00529%0.293CS..Hα-helixtrans-59.9-43.5176179.759000111.5L3 I5 I14 V16 T23 V24 R29 L30 I31 L44 L68 V79L3-L27 HydrophobicContact CD1-CD1 3.93Å; L3-L27 HydrophobicContact CD1-CD2 4.02Å; I5-L27 HydrophobicContact CD1-CD1 4.29Å; I14-L27 HydrophobicContact CG2-CD1 4.37Å; V16-L27 HydrophobicContact CG2-CD1 4.43Å; T23-L27 PolarHBondContact O-N 3.5Å; T23-L27 VanDerWaalsContact O-N 3.11Å; V24-L27 WeakPolarHBondContact O-CB 3.06Å; V24-L27 PolarHBondContact O-N 2.83Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 2.79Å; L27-L30 PolarHBondContact O-N 2.89Å; L27-I31 HydrophobicContact CD1-CD1 4.29Å; L27-I31 HydrophobicContact CD1-CG1 4.39Å; L27-I31 HydrophobicContact CG-CD1 4.03Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.28Å; L27-I31 PolarHBondContact O-N 3.39Å; L27-L44 HydrophobicContact CD2-CD1 4.35Å; L27-L44 HydrophobicContact CG-CD1 4.48Å; L27-L68 HydrophobicContact CB-CD1 4.38Å; L27-L68 HydrophobicContact CB-CD2 4.3Å; L27-L68 HydrophobicContact CD2-CD2 4.16Å; L27-V79 HydrophobicContact CD2-CG1 4.46Å; L27-V79 HydrophobicContact CD2-CG2 4.39Å
28Q95.8Very high91Very high25 Ų2546.8 Ų46.812%0.11727%0.272CS..Hα-helixtrans-61.1-41176.6-73.4173.7-30.400112.4V24 G25 D26 I31 A32 V39 Q42 L44V24-Q28 WeakPolarHBondContact O-CG 3.37Å; V24-Q28 PolarHBondContact O-N 3.17Å; G25-Q28 PolarHBondContact O-N 3.02Å; D26-Q28 VanDerWaalsContact C-N 3.33Å; D26-Q28 PolarHBondContact O-N 2.75Å; Q28-I31 PolarHBondContact O-N 2.77Å; Q28-A32 WeakPolarHBondContact O-CB 3.46Å; Q28-A32 PolarHBondContact O-N 2.8Å; Q28-V39 HydrophobicContact CB-CG1 3.91Å; Q28-V39 HydrophobicContact CB-CG2 4.16Å; Q28-V39 HydrophobicContact CG-CG1 4.46Å; Q28-Q42 VanDerWaalsContact CA-OE1 3.22Å; Q28-Q42 PolarHBondContact O-NE2 3.24Å; Q28-Q42 PolarHBondContact O-OE1 3.25Å; Q28-L44 HydrophobicContact CG-CD1 3.69Å
29R94.6Very high91.2Very high147 Ų14745 Ų4556%0.55526%0.264SS*.Hα-helixtrans-62.8-42.3174.5-76.4-173-77.1-97.66.1111.9G25 D26 L27 A32 A33G25-R29 WeakPolarHBondContact O-CG 3.45Å; G25-R29 PolarHBondContact O-N 2.76Å; D26-R29 WeakPolarHBondContact O-CB 3.42Å; D26-R29 PolarHBondContact O-N 2.85Å; D26-R29 IonicContact OD1-CZ 3.88Å; D26-R29 IonicContact OD1-NE 3.4Å; D26-R29 IonicContact OD1-NH2 2.64Å; D26-R29 PolarHBondContact OD1-NH2 3.37Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 2.79Å; R29-A32 PolarHBondContact O-N 2.79Å; R29-A33 PolarHBondContact O-N 3.37Å
30L93.9Very high91.7Very high52 Ų5248.3 Ų48.327%0.27229%0.286SS..Hα-helixtrans-63.5-41.4175.4-68.5171.2000111.8I14 V16 D26 L27 A32 A33 R34I14-L30 HydrophobicContact CG2-CB 3.69Å; I14-L30 HydrophobicContact CG2-CD1 3.99Å; I14-L30 HydrophobicContact CG2-CG 4.4Å; V16-L30 HydrophobicContact CG2-CD1 4.2Å; D26-L30 WeakPolarHBondContact O-CG 3.34Å; D26-L30 PolarHBondContact O-N 3.42Å; L27-L30 PolarHBondContact O-N 2.89Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A33 PolarHBondContact O-N 3.4Å; L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 PolarHBondContact O-N 2.86Å
31I93.1Very high92Very high0 Ų048 Ų480%027%0.273CS..Hα-helixtrans-62.7-41.8174-68.9169.4000110.7I5 I14 L27 Q28 A33 R34 V35 T36 Q42 L44 L81I5-I31 HydrophobicContact CD1-CD1 4.23Å; I5-I31 HydrophobicContact CD1-CG1 4.49Å; I5-I31 HydrophobicContact CG1-CD1 4.42Å; I5-I31 HydrophobicContact CG1-CG1 4.27Å; I5-I31 HydrophobicContact CG2-CD1 4.25Å; I5-I31 HydrophobicContact CG2-CG1 4.48Å; I14-I31 HydrophobicContact CD1-CB 4.09Å; I14-I31 HydrophobicContact CD1-CG1 3.33Å; L27-I31 HydrophobicContact CD1-CD1 4.29Å; L27-I31 HydrophobicContact CD1-CG1 4.39Å; L27-I31 HydrophobicContact CG-CD1 4.03Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.28Å; L27-I31 PolarHBondContact O-N 3.39Å; Q28-I31 PolarHBondContact O-N 2.77Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 PolarHBondContact O-N 2.92Å; I31-R34 PolarHBondContact O-N 3.36Å; I31-V35 HydrophobicContact CG2-CB 4.07Å; I31-V35 HydrophobicContact CG2-CG2 4.05Å; I31-V35 WeakPolarHBondContact O-CA 3.48Å; I31-V35 VanDerWaalsContact O-CB 3.3Å; I31-V35 WeakPolarHBondContact O-CB 3.18Å; I31-V35 PolarHBondContact O-N 2.78Å; I31-T36 PolarHBondContact O-N 2.9Å; I31-Q42 HydrophobicContact CG2-CG 4.27Å; I31-L44 HydrophobicContact CD1-CD1 3.89Å; I31-L44 HydrophobicContact CD1-CD2 3.53Å; I31-L44 HydrophobicContact CD1-CG 4.37Å; I31-L81 HydrophobicContact CG2-CD1 4.42Å; I31-L81 HydrophobicContact CG2-CD2 3.65Å
32A92.5Very high92.2Very high30 Ų3045.6 Ų45.625%0.24825%0.25CS..Hα-helixtrans-63.3-41.8177.900000111.8Q28 R29 L30 T36 V37 V39Q28-A32 WeakPolarHBondContact O-CB 3.46Å; Q28-A32 PolarHBondContact O-N 2.8Å; R29-A32 PolarHBondContact O-N 2.79Å; L30-A32 VanDerWaalsContact C-N 3.34Å; A32-T36 VanDerWaalsContact O-CA 3.25Å; A32-T36 WeakPolarHBondContact O-CA 3.17Å; A32-T36 PolarHBondContact O-N 3.08Å; A32-V37 VanDerWaalsContact CA-O 3.27Å; A32-V37 WeakPolarHBondContact CA-O 3.32Å; A32-V37 WeakPolarHBondContact CB-O 3.4Å; A32-V39 HydrophobicContact CB-CG2 3.91Å
33A89Confident92.3Very high87 Ų8752.7 Ų52.772%0.71928%0.275SS*.Hα-helixtrans-68.3-37.9177.700000113.1R29 L30 I31R29-A33 PolarHBondContact O-N 3.37Å; L30-A33 PolarHBondContact O-N 3.4Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 PolarHBondContact O-N 2.92Å
34R86.3Confident92.2Very high174 Ų17451.3 Ų51.366%0.65727%0.267SS*.Hα-helixtrans-93-46.4-173.7-174.262.3174-173.3-0.4114.1I14 L30 I31I14-R34 HydrophobicContact CD1-CB 4.43Å; I14-R34 HydrophobicContact CG1-CG 4.48Å; L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 PolarHBondContact O-N 2.86Å; I31-R34 PolarHBondContact O-N 3.36Å
35V85.1Confident92.1Very high3 Ų351.2 Ų51.22%0.01827%0.266CS..Hα-helixtrans-95-7.5-173.9-166.40000111.1D12 I14 I31 V37 L81 R88D12-V35 HydrophobicContact CB-CG2 4Å; I14-V35 HydrophobicContact CD1-CG2 4.39Å; I31-V35 HydrophobicContact CG2-CB 4.07Å; I31-V35 HydrophobicContact CG2-CG2 4.05Å; I31-V35 WeakPolarHBondContact O-CA 3.48Å; I31-V35 VanDerWaalsContact O-CB 3.3Å; I31-V35 WeakPolarHBondContact O-CB 3.18Å; I31-V35 PolarHBondContact O-N 2.78Å; V35-V37 HydrophobicContact CG1-CG2 4.07Å; V35-V37 PolarHBondContact O-N 2.82Å; V35-L81 HydrophobicContact CG1-CD2 4.1Å; V35-R88 VanDerWaalsContact CG1-NH2 3.32Å
36T86.1Confident92Very high36 Ų3654 Ų5422%0.22128%0.279CS..  trans63.317.817970.50000114.7I31 A32 P38 R88 S89 S90I31-T36 PolarHBondContact O-N 2.9Å; A32-T36 VanDerWaalsContact O-CA 3.25Å; A32-T36 WeakPolarHBondContact O-CA 3.17Å; A32-T36 PolarHBondContact O-N 3.08Å; T36-P38 WeakPolarHBondContact O-CD 3.42Å; T36-R88 CarbonylContact O-C 3.52Å; T36-R88 WeakPolarHBondContact O-CA 3.18Å; T36-S89 PolarHBondContact O-N 3.42Å; T36-S90 PolarHBondContact OG1-OG 2.87Å; T36-S90 VanDerWaalsContact OG1-OG 3.13Å
37V89.2Confident91.8Very high0 Ų054.3 Ų54.30%028%0.281CS..  trans-90.2117.5174.2-177.60000109.1A32 V35 V39 L41 Q42 Y83 A87 R88A32-V37 VanDerWaalsContact CA-O 3.27Å; A32-V37 WeakPolarHBondContact CA-O 3.32Å; A32-V37 WeakPolarHBondContact CB-O 3.4Å; V35-V37 HydrophobicContact CG1-CG2 4.07Å; V35-V37 PolarHBondContact O-N 2.82Å; V37-V39 PolarHBondContact O-N 2.92Å; V37-L41 HydrophobicContact CG1-CB 4.27Å; V37-Q42 HydrophobicContact CB-CG 4.13Å; V37-Q42 HydrophobicContact CG1-CG 3.65Å; V37-Q42 PolarHBondContact O-NE2 2.79Å; V37-Y83 HydrophobicContact CG1-CD1 4.19Å; V37-Y83 HydrophobicContact CG1-CG 3.95Å; V37-Y83 HydrophobicContact CG2-CD1 3.84Å; V37-Y83 HydrophobicContact CG2-CD2 4.06Å; V37-Y83 HydrophobicContact CG2-CE1 3.86Å; V37-Y83 HydrophobicContact CG2-CE2 4.13Å; V37-Y83 HydrophobicContact CG2-CG 3.96Å; V37-A87 HydrophobicContact CG1-CB 4.35Å; V37-R88 HydrophobicContact CG2-CG 3.64Å
38P91.1Very high91.5Very high47 Ų4757.6 Ų57.631%0.30530%0.302SS..  trans-55.1136.8176.4-25.834.9000111.8T36 P40 L41 Q42 A87T36-P38 WeakPolarHBondContact O-CD 3.42Å; P38-P40 VanDerWaalsContact C-N 3.3Å; P38-P40 VanDerWaalsContact O-N 3.13Å; P38-L41 HydrophobicContact CB-CD1 4.36Å; P38-L41 HydrophobicContact CB-CG 4.46Å; P38-L41 HydrophobicContact CG-CD1 4.18Å; P38-L41 PolarHBondContact O-N 3.29Å; P38-Q42 PolarHBondContact O-N 2.81Å; P38-A87 WeakPolarHBondContact CD-O 3.33Å
39V93.2Very high91.1Very high50 Ų5057.3 Ų57.330%0.30330%0.304SS..G310 helixtrans-45.5-44.8-178.9175.20000113.7Q28 A32 V37 L41 Q42Q28-V39 HydrophobicContact CB-CG1 3.91Å; Q28-V39 HydrophobicContact CB-CG2 4.16Å; Q28-V39 HydrophobicContact CG-CG1 4.46Å; A32-V39 HydrophobicContact CB-CG2 3.91Å; V37-V39 PolarHBondContact O-N 2.92Å; V39-L41 PolarHBondContact O-N 3.47Å; V39-L41 VanDerWaalsContact O-N 3.12Å; V39-Q42 PolarHBondContact O-N 2.99Å; V39-Q42 VanDerWaalsContact O-N 3.15Å
40P92.5Very high90.9Very high120 Ų12050.5 Ų50.578%0.77928%0.279SS*.G310 helixtrans-64.6-19.1-179.2-2234.6000114.8P38P38-P40 VanDerWaalsContact C-N 3.3Å; P38-P40 VanDerWaalsContact O-N 3.13Å
41L91.9Very high90.4Very high71 Ų7150.8 Ų50.837%0.37228%0.28SS..G310 helixtrans-98.5-3.8-177.9-58.4-179.8000112.5V37 P38 V39 Y83 P84 A87V37-L41 HydrophobicContact CG1-CB 4.27Å; P38-L41 HydrophobicContact CB-CD1 4.36Å; P38-L41 HydrophobicContact CB-CG 4.46Å; P38-L41 HydrophobicContact CG-CD1 4.18Å; P38-L41 PolarHBondContact O-N 3.29Å; V39-L41 PolarHBondContact O-N 3.47Å; V39-L41 VanDerWaalsContact O-N 3.12Å; L41-Y83 WeakPolarHBondContact O-CB 3.41Å; L41-P84 HydrophobicContact CD2-CG 4.5Å; L41-A87 HydrophobicContact CB-CB 3.94Å; L41-A87 HydrophobicContact CD1-CB 3.52Å; L41-A87 HydrophobicContact CG-CB 4.34Å
42Q93.8Very high89.8Confident14 Ų1455.8 Ų55.87%0.06531%0.306CS..  trans-84124.9179.9-61.6177.122.200110.8Q28 I31 V37 P38 V39 L81Q28-Q42 VanDerWaalsContact CA-OE1 3.22Å; Q28-Q42 PolarHBondContact O-NE2 3.24Å; Q28-Q42 PolarHBondContact O-OE1 3.25Å; I31-Q42 HydrophobicContact CG2-CG 4.27Å; V37-Q42 HydrophobicContact CB-CG 4.13Å; V37-Q42 HydrophobicContact CG1-CG 3.65Å; V37-Q42 PolarHBondContact O-NE2 2.79Å; P38-Q42 PolarHBondContact O-N 2.81Å; V39-Q42 PolarHBondContact O-N 2.99Å; V39-Q42 VanDerWaalsContact O-N 3.15Å; Q42-L81 HydrophobicContact CB-CD1 3.9Å; Q42-L81 HydrophobicContact CG-CD1 4.03Å
43R93.3Very high88.5Confident158 Ų15861.1 Ų61.160%0.59634%0.339SS*.EExtended strand (participates in β ladder)trans-109.9118.8163.6-69.4-174.3162175.9-4.8108.5L50 L60 L81 S82R43-L50 HydrophobicContact CB-CD1 4.49Å; R43-L50 WeakPolarHBondContact O-CD2 3.45Å; R43-L60 HydrophobicContact CB-CD2 4.08Å; R43-L81 WeakPolarHBondContact O-CA 3.45Å; R43-S82 WeakPolarHBondContact CB-O 3.29Å; R43-S82 PolarHBondContact N-O 2.85Å; R43-S82 PolarHBondContact O-N 3.31Å
44L94.4Very high87.3Confident2 Ų262 Ų621%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-110.5141-178.6-58.5-179.7000110.7L27 Q28 I31 L60 L61 V79 Y80 L81L27-L44 HydrophobicContact CD2-CD1 4.35Å; L27-L44 HydrophobicContact CG-CD1 4.48Å; Q28-L44 HydrophobicContact CG-CD1 3.69Å; I31-L44 HydrophobicContact CD1-CD1 3.89Å; I31-L44 HydrophobicContact CD1-CD2 3.53Å; I31-L44 HydrophobicContact CD1-CG 4.37Å; L44-L60 CarbonylContact O-C 3.59Å; L44-L60 WeakPolarHBondContact O-CA 3.32Å; L44-L61 HydrophobicContact CB-CB 4.14Å; L44-L61 HydrophobicContact CB-CD1 4.06Å; L44-L61 HydrophobicContact CB-CG 4.41Å; L44-L61 PolarHBondContact O-N 3.48Å; L44-V79 HydrophobicContact CB-CG1 4.26Å; L44-V79 HydrophobicContact CD2-CG1 4.27Å; L44-Y80 WeakPolarHBondContact CA-O 2.95Å; L44-L81 HydrophobicContact CD2-CB 4.02Å; L44-L81 HydrophobicContact CD2-CD1 3.62Å; L44-L81 HydrophobicContact CD2-CG 4.37Å
45S93.9Very high86Confident1 Ų155.6 Ų55.61%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-148.8156.9172.8-172.50000110.8D47 A59 Y80S45-D47 VanDerWaalsContact C-N 3.31Å; S45-D47 WeakPolarHBondContact OG-CB 3.31Å; S45-D47 PolarHBondContact OG-N 3.12Å; S45-A59 WeakPolarHBondContact CB-O 3.32Å; S45-A59 PolarHBondContact OG-O 3Å; S45-Y80 PolarHBondContact N-O 2.8Å; S45-Y80 PolarHBondContact O-N 3.37Å
46L93Very high84.7Confident65 Ų6560.6 Ų60.634%0.3436%0.363SS..SBendtrans-86.3-9166.4-55.6-176.7000112L61 L71 L73 V79 Y80L46-L61 HydrophobicContact CD2-CD1 4.34Å; L46-L61 HydrophobicContact CG-CD2 4.5Å; L46-L71 HydrophobicContact CD1-CB 4.39Å; L46-L73 HydrophobicContact CD2-CD2 3.64Å; L46-L73 HydrophobicContact CD2-CG 4.32Å; L46-V79 HydrophobicContact CD2-CG2 4.1Å; L46-Y80 WeakPolarHBondContact O-CE2 3.43Å
47D90.7Very high83.8Confident58 Ų5863.6 Ų63.631%0.3139%0.385SS..SBendtrans-91.3122.7-179.5-173.5-11.5000111.1S45 A49 L50 A58 Y80S45-D47 VanDerWaalsContact C-N 3.31Å; S45-D47 WeakPolarHBondContact OG-CB 3.31Å; S45-D47 PolarHBondContact OG-N 3.12Å; D47-A49 PolarHBondContact O-N 3.18Å; D47-A49 VanDerWaalsContact O-N 3.14Å; D47-A49 WeakPolarHBondContact OD1-CB 3.25Å; D47-A49 PolarHBondContact OD1-N 2.97Å; D47-L50 WeakPolarHBondContact O-CB 3.39Å; D47-L50 PolarHBondContact O-N 3.21Å; D47-A58 HydrophobicContact CB-CB 4.27Å; D47-Y80 VanDerWaalsContact C-CD2 3.44Å; D47-Y80 WeakPolarHBondContact O-CD2 3.35Å
48P88.5Confident83.2Confident69 Ų6964.2 Ų64.245%0.44839%0.391SS..G310 helixtrans-56.9-23.9173.920.7-31.5000114.2L50 L51 Y80P48-L50 PolarHBondContact O-N 3.39Å; P48-L51 PolarHBondContact O-N 3.11Å; P48-L51 VanDerWaalsContact O-N 3.08Å; P48-Y80 HydrophobicContact CB-CD1 4.32Å; P48-Y80 HydrophobicContact CB-CE1 3.68Å; P48-Y80 HydrophobicContact CB-CE2 3.95Å; P48-Y80 VanDerWaalsContact CB-CZ 3.48Å; P48-Y80 HydrophobicContact CG-CE2 4.38Å
49A87.2Confident83Confident19 Ų1965.7 Ų65.716%0.15741%0.407CS..G310 helixtrans-60.9-17.318000000113.4D47 L51 L52D47-A49 PolarHBondContact O-N 3.18Å; D47-A49 VanDerWaalsContact O-N 3.14Å; D47-A49 WeakPolarHBondContact OD1-CB 3.25Å; D47-A49 PolarHBondContact OD1-N 2.97Å; A49-L51 PolarHBondContact O-N 3.23Å; A49-L52 HydrophobicContact CB-CD1 4.22Å; A49-L52 WeakPolarHBondContact O-CB 3.34Å; A49-L52 PolarHBondContact O-N 2.93Å
50L90.1Very high82.8Confident5 Ų567.2 Ų67.23%0.02641%0.413CS..G310 helixtrans-58.5-26.9173.2-176.566.7000113.2R43 D47 P48 A58 L60 Y80R43-L50 HydrophobicContact CB-CD1 4.49Å; R43-L50 WeakPolarHBondContact O-CD2 3.45Å; D47-L50 WeakPolarHBondContact O-CB 3.39Å; D47-L50 PolarHBondContact O-N 3.21Å; P48-L50 PolarHBondContact O-N 3.39Å; L50-A58 HydrophobicContact CB-CB 4.03Å; L50-A58 HydrophobicContact CD1-CB 4.34Å; L50-L60 HydrophobicContact CD1-CD2 3.7Å; L50-Y80 VanDerWaalsContact CD2-O 3.25Å; L50-Y80 WeakPolarHBondContact CD2-O 3.25Å
51L83.9Confident82.8Confident58 Ų5862.8 Ų62.830%0.30438%0.382SS..G310 helixtrans-91.1-3.6178.5-59.5-175.4000113.4R6 P48 A49 Y80 L81R6-L51 HydrophobicContact CB-CD1 4.48Å; R6-L51 HydrophobicContact CG-CD1 3.87Å; P48-L51 PolarHBondContact O-N 3.11Å; P48-L51 VanDerWaalsContact O-N 3.08Å; A49-L51 PolarHBondContact O-N 3.23Å; L51-Y80 HydrophobicContact CD1-CD1 3.72Å; L51-Y80 HydrophobicContact CD1-CE1 4.45Å; L51-Y80 HydrophobicContact CG-CD1 4.08Å; L51-L81 WeakPolarHBondContact CD2-O 3.44Å
52L79.5Confident82.5Confident105 Ų10563.5 Ų63.555%0.5540%0.398SS..SBendtrans-84147.3178.1-66.7170.6000110.7A49 S54 S55A49-L52 HydrophobicContact CB-CD1 4.22Å; A49-L52 WeakPolarHBondContact O-CB 3.34Å; A49-L52 PolarHBondContact O-N 2.93Å; L52-S54 PolarHBondContact O-N 2.82Å; L52-S55 VanDerWaalsContact O-CB 3.3Å; L52-S55 WeakPolarHBondContact O-CB 3.35Å; L52-S55 PolarHBondContact O-N 2.89Å; L52-S55 VanDerWaalsContact O-N 3.17Å
53P66.2Low82.4Confident142 Ų14267 Ų6792%0.92242%0.418SS*.THydrogen-bonded Turntrans-56.5-23.4175.6-23.932.7000113.9
54S63.7Low82.4Confident104 Ų10462.8 Ų62.873%0.72741%0.41SS*.THydrogen-bonded Turntrans-98.735.4-179.7-171.70000113.1L52 A56L52-S54 PolarHBondContact O-N 2.82Å; S54-A56 PolarHBondContact O-N 3.34Å
55S59.6Low82.3Confident41 Ų4166 Ų6629%0.28744%0.438SS..  trans-62.413.3-171.2172.80000116.9L52 S57L52-S55 VanDerWaalsContact O-CB 3.3Å; L52-S55 WeakPolarHBondContact O-CB 3.35Å; L52-S55 PolarHBondContact O-N 2.89Å; L52-S55 VanDerWaalsContact O-N 3.17Å; S55-S57 PolarHBondContact O-N 3.4Å
56A57.8Low82.2Confident107 Ų10766.9 Ų66.988%0.88445%0.445SS*.THydrogen-bonded Turntrans-64.4-12.6-171.300000115.2S54S54-A56 PolarHBondContact O-N 3.34Å
57S66.7Low82.2Confident99 Ų9966.4 Ų66.469%0.69245%0.445SS*.THydrogen-bonded Turntrans-113.5-3.5-174.370.90000116.3S55 A59S55-S57 PolarHBondContact O-N 3.4Å; S57-A59 PolarHBondContact O-N 2.93Å
58A76.7Confident82.3Confident14 Ų1463.8 Ų63.812%0.11643%0.431CS..PPolyproline II helixtrans-72.3125-174.700000111.1D47 L50 L60D47-A58 HydrophobicContact CB-CB 4.27Å; L50-A58 HydrophobicContact CB-CB 4.03Å; L50-A58 HydrophobicContact CD1-CB 4.34Å; A58-L60 PolarHBondContact O-N 2.59Å
59A85.5Confident82.3Confident78 Ų7864.3 Ų64.365%0.64544%0.437SS*.PPolyproline II helixtrans-68.4117.7177.100000110.5S45 S57S45-A59 WeakPolarHBondContact CB-O 3.32Å; S45-A59 PolarHBondContact OG-O 3Å; S57-A59 PolarHBondContact O-N 2.93Å
60L91Very high82.4Confident82 Ų8267.1 Ų67.143%0.42946%0.456SS..BIsolated β-bridgetrans-85.6144.1-177.9-65.8177.5000112R43 L44 L50 A58 A62R43-L60 HydrophobicContact CB-CD2 4.08Å; L44-L60 CarbonylContact O-C 3.59Å; L44-L60 WeakPolarHBondContact O-CA 3.32Å; L50-L60 HydrophobicContact CD1-CD2 3.7Å; A58-L60 PolarHBondContact O-N 2.59Å; L60-A62 VanDerWaalsContact C-N 3.25Å; L60-A62 PolarHBondContact O-N 3.31Å
61L91.6Very high82.4Confident26 Ų2668.5 Ų68.514%0.13646%0.463CS..  trans-7877.1166.2-57.2177.5000108.8V24 L44 L46 L71 V79V24-L61 HydrophobicContact CG1-CB 4.07Å; V24-L61 HydrophobicContact CG2-CB 4.42Å; L44-L61 HydrophobicContact CB-CB 4.14Å; L44-L61 HydrophobicContact CB-CD1 4.06Å; L44-L61 HydrophobicContact CB-CG 4.41Å; L44-L61 PolarHBondContact O-N 3.48Å; L46-L61 HydrophobicContact CD2-CD1 4.34Å; L46-L61 HydrophobicContact CG-CD2 4.5Å; L61-L71 HydrophobicContact CD1-CD1 3.99Å; L61-L71 HydrophobicContact CD2-CD1 3.87Å; L61-L71 HydrophobicContact CD2-CD2 3.65Å; L61-L71 HydrophobicContact CD2-CG 4.44Å; L61-V79 HydrophobicContact CD1-CG1 4.42Å
62A86.1Confident82.5Confident86 Ų8677.2 Ų77.271%0.71149%0.492SS*.  trans-85.7-24.6-170.600000114.5L60 P64L60-A62 VanDerWaalsContact C-N 3.25Å; L60-A62 PolarHBondContact O-N 3.31Å; A62-P64 VanDerWaalsContact O-CD 3.31Å; A62-P64 WeakPolarHBondContact O-CD 3.4Å
63D91.8Very high82.9Confident88 Ų8873.7 Ų73.747%0.47147%0.473SS..  trans-90110.2-178.6179.39.7000110.8V24 A65 A66V24-D63 WeakPolarHBondContact CB-O 3.46Å; D63-A65 PolarHBondContact O-N 3.33Å; D63-A65 WeakPolarHBondContact OD1-CB 3.2Å; D63-A65 PolarHBondContact OD1-N 3.4Å; D63-A66 HydrophobicContact CB-CB 4.09Å; D63-A66 WeakPolarHBondContact O-CB 3.25Å; D63-A66 PolarHBondContact O-N 2.76Å
64P92.1Very high84Confident69 Ų6970.3 Ų70.345%0.44845%0.453SS..THydrogen-bonded Turntrans-69.3-19.7178.630-35.6000113.2T23 G25 A62T23-P64 VanDerWaalsContact CB-O 3.31Å; T23-P64 WeakPolarHBondContact CB-O 3.35Å; T23-P64 PolarHBondContact OG1-O 2.89Å; G25-P64 PolarHBondContact N-O 3.47Å; A62-P64 VanDerWaalsContact O-CD 3.31Å; A62-P64 WeakPolarHBondContact O-CD 3.4Å
65A92.4Very high85.1Confident70 Ų7070.8 Ų70.858%0.57945%0.447SS*.THydrogen-bonded Turntrans-85.1-11.5177.900000112.7D63D63-A65 PolarHBondContact O-N 3.33Å; D63-A65 WeakPolarHBondContact OD1-CB 3.2Å; D63-A65 PolarHBondContact OD1-N 3.4Å
66A92.9Very high86.3Confident19 Ų1970.4 Ų70.416%0.15745%0.45CS..SBendtrans-61.4126.2178.900000110.2T23 V24 D63T23-A66 CarbonylContact C-O 3.57Å; T23-A66 VanDerWaalsContact CA-O 3.3Å; T23-A66 WeakPolarHBondContact CA-O 3.4Å; V24-A66 HydrophobicContact CG2-CB 4.03Å; V24-A66 PolarHBondContact N-O 3.39Å; D63-A66 HydrophobicContact CB-CB 4.09Å; D63-A66 WeakPolarHBondContact O-CB 3.25Å; D63-A66 PolarHBondContact O-N 2.76Å
67P93.1Very high87.9Confident55 Ų5566.4 Ų66.436%0.35742%0.415SS..BIsolated β-bridgetrans-70.7139.2178.329-33.4000109.8S69 S70P67-S69 PolarHBondContact O-N 2.62Å; P67-S70 WeakPolarHBondContact O-CB 3.43Å; P67-S70 PolarHBondContact O-N 2.88Å; P67-S70 PolarHBondContact O-OG 2.8Å
68L91.8Very high89.1Confident3 Ų364.7 Ų64.72%0.01640%0.396CS..G310 helixtrans-61.1-27.1178.1-66.9-176.3000112.2V16 A22 V24 L27 S70 L71 L73V16-L68 HydrophobicContact CG1-CD1 4.03Å; V16-L68 HydrophobicContact CG2-CD1 4.33Å; A22-L68 HydrophobicContact CB-CD1 3.7Å; A22-L68 HydrophobicContact CB-CG 4.23Å; A22-L68 WeakPolarHBondContact O-CB 3.38Å; A22-L68 WeakPolarHBondContact O-CG 3.36Å; A22-L68 PolarHBondContact O-N 3.42Å; V24-L68 HydrophobicContact CG2-CD2 4.17Å; L27-L68 HydrophobicContact CB-CD1 4.38Å; L27-L68 HydrophobicContact CB-CD2 4.3Å; L27-L68 HydrophobicContact CD2-CD2 4.16Å; L68-S70 PolarHBondContact O-N 2.76Å; L68-L71 HydrophobicContact CD2-CD1 3.94Å; L68-L71 VanDerWaalsContact O-CB 3.32Å; L68-L71 WeakPolarHBondContact O-CB 3.26Å; L68-L71 PolarHBondContact O-N 3.49Å; L68-L73 HydrophobicContact CD2-CD1 4.31Å
69S89Confident90Very high81 Ų8164 Ų6457%0.56639%0.39SS*.G310 helixtrans-64.3-20.8173.957.50000114P67 L71P67-S69 PolarHBondContact O-N 2.62Å; S69-L71 VanDerWaalsContact C-N 3.27Å
70S89.9Confident90.4Very high78 Ų7861.8 Ų61.855%0.54537%0.365SS..G310 helixtrans-77.8-14.5171.670.60000113.1P67 L68P67-S70 WeakPolarHBondContact O-CB 3.43Å; P67-S70 PolarHBondContact O-N 2.88Å; P67-S70 PolarHBondContact O-OG 2.8Å; L68-S70 PolarHBondContact O-N 2.76Å
71L88.7Confident90.6Very high33 Ų3357.9 Ų57.917%0.17335%0.345CS..SBendtrans-91.3149.2175.9-53.3176.9000109.2V24 L46 L61 L68 S69 L73V24-L71 HydrophobicContact CG2-CD1 4.12Å; L46-L71 HydrophobicContact CD1-CB 4.39Å; L61-L71 HydrophobicContact CD1-CD1 3.99Å; L61-L71 HydrophobicContact CD2-CD1 3.87Å; L61-L71 HydrophobicContact CD2-CD2 3.65Å; L61-L71 HydrophobicContact CD2-CG 4.44Å; L68-L71 HydrophobicContact CD2-CD1 3.94Å; L68-L71 VanDerWaalsContact O-CB 3.32Å; L68-L71 WeakPolarHBondContact O-CB 3.26Å; L68-L71 PolarHBondContact O-N 3.49Å; S69-L71 VanDerWaalsContact C-N 3.27Å; L71-L73 HydrophobicContact CB-CD1 3.86Å; L71-L73 HydrophobicContact CB-CG 3.84Å; L71-L73 HydrophobicContact CD1-CD1 3.84Å; L71-L73 PolarHBondContact O-N 3.43Å
72R86.1Confident90.6Very high242 Ų24258.4 Ų58.491%0.91335%0.35SS*.  trans-76.255.6176-63.7-176-177.9-177.40.7111.4
73L88.7Confident90.8Very high30 Ų3054.8 Ų54.816%0.15732%0.318CS..  trans-102.7132.4-178.2-67.9175.2000110.4M1 L3 L46 L68 L71 V79M1-L73 HydrophobicContact CE-CB 4.13Å; M1-L73 HydrophobicContact SD-CB 4.35Å; L3-L73 HydrophobicContact CD1-CD1 4.24Å; L3-L73 HydrophobicContact CD2-CB 4.35Å; L3-L73 HydrophobicContact CD2-CD1 4.38Å; L3-L73 HydrophobicContact CD2-CD2 4.1Å; L46-L73 HydrophobicContact CD2-CD2 3.64Å; L46-L73 HydrophobicContact CD2-CG 4.32Å; L68-L73 HydrophobicContact CD2-CD1 4.31Å; L71-L73 HydrophobicContact CB-CD1 3.86Å; L71-L73 HydrophobicContact CB-CG 3.84Å; L71-L73 HydrophobicContact CD1-CD1 3.84Å; L71-L73 PolarHBondContact O-N 3.43Å; L73-V79 HydrophobicContact CD2-CG2 4.05Å
74S88.5Confident90.6Very high71 Ų7153.6 Ų53.650%0.49732%0.316SS..  trans-125.8171.2171.465.20000110.3M1 G76 S77M1-S74 VanDerWaalsContact SD-C 3.54Å; S74-G76 PolarHBondContact O-N 3.11Å; S74-S77 PolarHBondContact N-OG 2.95Å; S74-S77 WeakPolarHBondContact O-CB 3.41Å; S74-S77 PolarHBondContact O-N 3.12Å; S74-S77 PolarHBondContact O-OG 2.92Å; S74-S77 PolarHBondContact OG-OG 3.28Å; S74-S77 VanDerWaalsContact OG-OG 3.08Å
75N87.6Confident89.9Confident114 Ų11454.8 Ų54.861%0.6132%0.323SS*.THydrogen-bonded Turntrans-57.9125.1174.5-162.311000110.7M1 I2M1-N75 HydrophobicContact CG-CB 4.34Å; I2-N75 WeakPolarHBondContact CA-OD1 3.49Å; I2-N75 WeakPolarHBondContact CB-OD1 3.24Å; I2-N75 PolarHBondContact N-OD1 2.76Å; I2-N75 PolarHBondContact O-OD1 2.83Å
76G85.2Confident89.2Confident34 Ų3458.9 Ų58.935%0.35134%0.336SS..THydrogen-bonded Turntrans88.5-1.3-175.200000115.4I2 R4 S74I2-G76 PolarHBondContact O-N 2.92Å; R4-G76 WeakPolarHBondContact CD-O 3.4Å; S74-G76 PolarHBondContact O-N 3.11Å
77S91.9Very high88.5Confident22 Ų2258.2 Ų58.215%0.15433%0.33CS..  trans-61.7147.7177.1-72.90000112.6R4 S74R4-S77 PolarHBondContact N-O 3.24Å; S74-S77 PolarHBondContact N-OG 2.95Å; S74-S77 WeakPolarHBondContact O-CB 3.41Å; S74-S77 PolarHBondContact O-N 3.12Å; S74-S77 PolarHBondContact O-OG 2.92Å; S74-S77 PolarHBondContact OG-OG 3.28Å; S74-S77 VanDerWaalsContact OG-OG 3.08Å
78F91.7Very high87.5Confident64 Ų6459.8 Ų59.828%0.28133%0.329SS..EExtended strand (participates in β ladder)trans-88.1138.6176.3-79.8-81.7000112R4 R6 T11 Y80R4-F78 HydrophobicContact CB-CD1 3.66Å; R4-F78 HydrophobicContact CB-CE1 3.77Å; R4-F78 HydrophobicContact CB-CG 4.24Å; R4-F78 HydrophobicContact CB-CZ 4.42Å; R4-F78 VanDerWaalsContact O-CA 3.31Å; R4-F78 WeakPolarHBondContact O-CA 3.14Å; R6-F78 HydrophobicContact CB-CD1 4.08Å; R6-F78 HydrophobicContact CB-CE1 4.38Å; T11-F78 HydrophobicContact CG2-CE1 4.04Å; F78-Y80 HydrophobicContact CB-CE2 4.11Å
79V94.3Very high85.8Confident0 Ų064 Ų640%036%0.359CS..EExtended strand (participates in β ladder)trans-125.1128.7164.6-178.10000107L3 R4 I5 R6 L27 L44 L46 L61 L73L3-V79 HydrophobicContact CD1-CG2 4.28Å; R4-V79 PolarHBondContact O-N 2.79Å; I5-V79 CarbonylContact C-O 3.56Å; I5-V79 VanDerWaalsContact CA-O 3.26Å; I5-V79 WeakPolarHBondContact CA-O 3.5Å; I5-V79 HydrophobicContact CD1-CB 3.8Å; I5-V79 HydrophobicContact CD1-CG1 4.45Å; I5-V79 HydrophobicContact CD1-CG2 4.33Å; R6-V79 PolarHBondContact N-O 3.46Å; L27-V79 HydrophobicContact CD2-CG1 4.46Å; L27-V79 HydrophobicContact CD2-CG2 4.39Å; L44-V79 HydrophobicContact CB-CG1 4.26Å; L44-V79 HydrophobicContact CD2-CG1 4.27Å; L46-V79 HydrophobicContact CD2-CG2 4.1Å; L61-V79 HydrophobicContact CD1-CG1 4.42Å; L73-V79 HydrophobicContact CD2-CG2 4.05Å
80Y94.5Very high84Confident30 Ų3063.6 Ų63.612%0.11836%0.356CS..EExtended strand (participates in β ladder)trans-91.6133-179-60.5-87.7000109.4R6 L44 S45 L46 D47 P48 L50 L51 F78R6-Y80 HydrophobicContact CB-CD1 3.95Å; R6-Y80 HydrophobicContact CB-CE1 4.13Å; R6-Y80 HydrophobicContact CG-CD1 4.33Å; R6-Y80 HydrophobicContact CG-CE1 4.34Å; R6-Y80 CarbonylContact O-C 3.49Å; R6-Y80 WeakPolarHBondContact O-CA 3.4Å; L44-Y80 WeakPolarHBondContact CA-O 2.95Å; S45-Y80 PolarHBondContact N-O 2.8Å; S45-Y80 PolarHBondContact O-N 3.37Å; L46-Y80 WeakPolarHBondContact O-CE2 3.43Å; D47-Y80 VanDerWaalsContact C-CD2 3.44Å; D47-Y80 WeakPolarHBondContact O-CD2 3.35Å; P48-Y80 HydrophobicContact CB-CD1 4.32Å; P48-Y80 HydrophobicContact CB-CE1 3.68Å; P48-Y80 HydrophobicContact CB-CE2 3.95Å; P48-Y80 VanDerWaalsContact CB-CZ 3.48Å; P48-Y80 HydrophobicContact CG-CE2 4.38Å; L50-Y80 VanDerWaalsContact CD2-O 3.25Å; L50-Y80 WeakPolarHBondContact CD2-O 3.25Å; L51-Y80 HydrophobicContact CD1-CD1 3.72Å; L51-Y80 HydrophobicContact CD1-CE1 4.45Å; L51-Y80 HydrophobicContact CG-CD1 4.08Å; F78-Y80 HydrophobicContact CB-CE2 4.11Å
81L94.3Very high81.5Confident1 Ų167.4 Ų67.41%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-119.5119-177.3168.364.7000109.7I5 R6 S7 I31 V35 Q42 R43 L44 L51 Y83I5-L81 HydrophobicContact CG2-CB 3.59Å; I5-L81 HydrophobicContact CG2-CD2 3.88Å; I5-L81 HydrophobicContact CG2-CG 4.37Å; R6-L81 PolarHBondContact O-N 3.38Å; S7-L81 WeakPolarHBondContact CA-O 3.44Å; S7-L81 WeakPolarHBondContact CB-O 3.22Å; I31-L81 HydrophobicContact CG2-CD1 4.42Å; I31-L81 HydrophobicContact CG2-CD2 3.65Å; V35-L81 HydrophobicContact CG1-CD2 4.1Å; Q42-L81 HydrophobicContact CB-CD1 3.9Å; Q42-L81 HydrophobicContact CG-CD1 4.03Å; R43-L81 WeakPolarHBondContact O-CA 3.45Å; L44-L81 HydrophobicContact CD2-CB 4.02Å; L44-L81 HydrophobicContact CD2-CD1 3.62Å; L44-L81 HydrophobicContact CD2-CG 4.37Å; L51-L81 WeakPolarHBondContact CD2-O 3.44Å; L81-Y83 HydrophobicContact CD1-CD1 3.97Å; L81-Y83 HydrophobicContact CD2-CD1 3.99Å; L81-Y83 HydrophobicContact CD2-CE1 3.75Å; L81-Y83 HydrophobicContact CG-CD1 3.64Å; L81-Y83 HydrophobicContact CG-CE1 3.74Å
82S92.4Very high79.3Confident36 Ų3670.7 Ų70.725%0.25239%0.388SS..EExtended strand (participates in β ladder)trans-114.3142.5171.3177.80000110.2R43R43-S82 WeakPolarHBondContact CB-O 3.29Å; R43-S82 PolarHBondContact N-O 2.85Å; R43-S82 PolarHBondContact O-N 3.31Å
83Y91.2Very high76.9Confident10 Ų1065 Ų654%0.03938%0.383CS..  trans-153.4163.4178.745.8-86.5000109.7S7 R8 D9 V37 L41 L81 A87 R88S7-Y83 PolarHBondContact OG-OH 2.86Å; R8-Y83 PolarHBondContact NH1-O 3.36Å; R8-Y83 PolarHBondContact NH2-O 2.95Å; D9-Y83 PolarHBondContact OD2-OH 2.83Å; V37-Y83 HydrophobicContact CG1-CD1 4.19Å; V37-Y83 HydrophobicContact CG1-CG 3.95Å; V37-Y83 HydrophobicContact CG2-CD1 3.84Å; V37-Y83 HydrophobicContact CG2-CD2 4.06Å; V37-Y83 HydrophobicContact CG2-CE1 3.86Å; V37-Y83 HydrophobicContact CG2-CE2 4.13Å; V37-Y83 HydrophobicContact CG2-CG 3.96Å; L41-Y83 WeakPolarHBondContact O-CB 3.41Å; L81-Y83 HydrophobicContact CD1-CD1 3.97Å; L81-Y83 HydrophobicContact CD2-CD1 3.99Å; L81-Y83 HydrophobicContact CD2-CE1 3.75Å; L81-Y83 HydrophobicContact CG-CD1 3.64Å; L81-Y83 HydrophobicContact CG-CE1 3.74Å; Y83-A87 HydrophobicContact CD2-CB 4.04Å; Y83-A87 HydrophobicContact CG-CB 4.39Å; Y83-R88 HydrophobicContact CE2-CG 3.98Å; Y83-R88 VanDerWaalsContact OH-CZ 3.32Å; Y83-R88 PolarHBondContact OH-NE 3.09Å; Y83-R88 PolarHBondContact OH-NH2 2.84Å
84P87.1Confident74.9Confident63 Ų6367.8 Ų67.841%0.40940%0.402SS..  trans-60.1145.6168.5-23.833.3000112.2R8 L41 D86 A87R8-P84 PolarHBondContact NH2-O 3.42Å; L41-P84 HydrophobicContact CD2-CG 4.5Å; P84-D86 PolarHBondContact O-N 3.45Å; P84-A87 HydrophobicContact CB-CB 4.22Å; P84-A87 HydrophobicContact CG-CB 4.38Å; P84-A87 WeakPolarHBondContact O-CB 3.3Å; P84-A87 PolarHBondContact O-N 3.15Å
85P76.1Confident72.4Confident94 Ų9469.7 Ų69.761%0.6141%0.413SS*.THydrogen-bonded Turntrans-47.4-36.7179.8-28.335000114.3R8R8-P85 VanDerWaalsContact NH2-N 3.14Å
86D78.5Confident69.8Low157 Ų15774.1 Ų74.184%0.8443%0.427SS*.THydrogen-bonded Turntrans-95.111.8-174.1-46.8-53000113.5P84P84-D86 PolarHBondContact O-N 3.45Å
87A77.8Confident67.2Low5 Ų577 Ų774%0.04145%0.447CS..  trans-82.2-15.5-171.900000114.9V37 P38 L41 Y83 P84 S89V37-A87 HydrophobicContact CG1-CB 4.35Å; P38-A87 WeakPolarHBondContact CD-O 3.33Å; L41-A87 HydrophobicContact CB-CB 3.94Å; L41-A87 HydrophobicContact CD1-CB 3.52Å; L41-A87 HydrophobicContact CG-CB 4.34Å; Y83-A87 HydrophobicContact CD2-CB 4.04Å; Y83-A87 HydrophobicContact CG-CB 4.39Å; P84-A87 HydrophobicContact CB-CB 4.22Å; P84-A87 HydrophobicContact CG-CB 4.38Å; P84-A87 WeakPolarHBondContact O-CB 3.3Å; P84-A87 PolarHBondContact O-N 3.15Å; A87-S89 PolarHBondContact O-N 3.49Å
88R73.2Confident64.5Low88 Ų8884.3 Ų84.333%0.33248%0.484SS..  trans-74.9111.4179.2-80.7-174-179.3-154.70.1110.4D9 D12 V35 T36 V37 Y83 S90D9-R88 IonicContact OD2-CZ 3.96Å; D9-R88 IonicContact OD2-NE 2.69Å; D9-R88 PolarHBondContact OD2-NE 2.94Å; D9-R88 IonicContact OD2-NH2 3.89Å; D12-R88 IonicContact OD2-NH2 2.75Å; V35-R88 VanDerWaalsContact CG1-NH2 3.32Å; T36-R88 CarbonylContact O-C 3.52Å; T36-R88 WeakPolarHBondContact O-CA 3.18Å; V37-R88 HydrophobicContact CG2-CG 3.64Å; Y83-R88 HydrophobicContact CE2-CG 3.98Å; Y83-R88 VanDerWaalsContact OH-CZ 3.32Å; Y83-R88 PolarHBondContact OH-NE 3.09Å; Y83-R88 PolarHBondContact OH-NH2 2.84Å; R88-S90 VanDerWaalsContact C-N 3.31Å; R88-S90 PolarHBondContact O-N 3.48Å; R88-S90 VanDerWaalsContact O-N 3.12Å
89S54.7Low61.9Low92 Ų9286.6 Ų86.664%0.64351%0.507SS*.  trans-83.871.5173.2175.80000110.5T36 A87T36-S89 PolarHBondContact O-N 3.42Å; A87-S89 PolarHBondContact O-N 3.49Å
90S51.4Low59.2Low71 Ų7190.5 Ų90.550%0.49754%0.54SS..  trans-146.5100.9152.947.10000108.2T36 R88 P92T36-S90 PolarHBondContact OG1-OG 2.87Å; T36-S90 VanDerWaalsContact OG1-OG 3.13Å; R88-S90 VanDerWaalsContact C-N 3.31Å; R88-S90 PolarHBondContact O-N 3.48Å; R88-S90 VanDerWaalsContact O-N 3.12Å; S90-P92 VanDerWaalsContact O-CD 3.25Å; S90-P92 WeakPolarHBondContact O-CD 3.37Å
91Q38.9Very low56.3Low159 Ų15994.2 Ų94.274%0.74358%0.577SS**PPolyproline II helixtrans-62.8120.3156.3-86-168.2-46.500107.7
92P41.3Very low53.3Low101 Ų10197.9 Ų97.966%0.65662%0.615SS**PPolyproline II helixtrans-59.2157.3138-0.919.9000107.3S90S90-P92 VanDerWaalsContact O-CD 3.25Å; S90-P92 WeakPolarHBondContact O-CD 3.37Å
93P36.8Very low50.9Low124 Ų124100.4 Ų100.481%0.80563%0.633SS**SBendtrans-48.9133.6178.824-34.2000110.7
94P45.3Very low48.1Very low87 Ų87110.8 Ų110.857%0.56568%0.678SS**PPolyproline II helixtrans-84163179.435.6-33.8000110.5
95P37.3Very low46.3Very low111 Ų111111.4 Ų111.472%0.72170%0.697SS**  cis-137.9144.7-42.535.2-19.2000110.9
96K32.3Very low45.4Very low207 Ų207115.9 Ų115.990%0.971%0.706SS**SBendtrans-86.9111.3151.3-84.1-172.5-180178.20107L98K96-L98 PolarHBondContact O-N 2.92Å
97A31.4Very low44.5Very low94 Ų94117.8 Ų117.878%0.77771%0.707SS**  trans-45.6103.4-178.600000111.9S99A97-S99 VanDerWaalsContact C-N 3.29Å; A97-S99 PolarHBondContact O-N 3.45Å
98L34.9Very low43.4Very low176 Ų176121.9 Ų121.992%0.92173%0.727SS**  trans-82.988.7155.2-77.9160.8000106K96 A100K96-L98 PolarHBondContact O-N 2.92Å; L98-A100 PolarHBondContact O-N 3.35Å
99S37Very low43.4Very low112 Ų112121 Ų12178%0.78373%0.731SS**  trans-55.7120.3166.9177.50000109A97A97-S99 VanDerWaalsContact C-N 3.29Å; A97-S99 PolarHBondContact O-N 3.45Å
100A37.9Very low43.7Very low82 Ų82123 Ų12368%0.67873%0.732SS**  trans29.1110.4154.700000117.5L98L98-A100 PolarHBondContact O-N 3.35Å
101A31.8Very low44.4Very low108 Ų108125.3 Ų125.389%0.89374%0.738SS**SBendtrans-35.5140.7140.500000112.2
102G32Very low45.5Very low79 Ų79121.4 Ų121.481%0.81472%0.723SS**  trans104.972.4162.900000114.8
103S41.3Very low46.5Very low88 Ų88120.7 Ų120.762%0.61571%0.713SS**  trans-152.192150.3-174.40000109.6G105S103-G105 PolarHBondContact O-N 2.98Å; S103-G105 VanDerWaalsContact O-N 3.13Å
104F32.8Very low47.5Very low228 Ų228117 Ų117100%169%0.686SS**THydrogen-bonded Turntrans-50.2112.7155.7-117.1-105.1000107.6
105G50.6Low48.2Very low77 Ų77117 Ų11779%0.79469%0.693SS**THydrogen-bonded Turntrans1215.3167.700000119.3S103S103-G105 PolarHBondContact O-N 2.98Å; S103-G105 VanDerWaalsContact O-N 3.13Å
106K56Low49.6Very low187 Ų187121 Ų12181%0.81369%0.694SS**  trans-82.9124.6174.5-130.1177.5-176.4-177.70111.2M108K106-M108 PolarHBondContact O-N 3.42Å; K106-M108 VanDerWaalsContact O-N 3.14Å
107K59.8Low51.7Low198 Ų198114.4 Ų114.486%0.86167%0.666SS**  trans-57.2114.4174.4-67.1-179.3179.2-179.80109.1T109K107-T109 PolarHBondContact O-N 2.99Å
108M55.5Low54.4Low91 Ų91112.5 Ų112.545%0.44864%0.642SS.*  trans-66.8124.8174.5-157.3166.8-177.600108.3K106 D112 L113K106-M108 PolarHBondContact O-N 3.42Å; K106-M108 VanDerWaalsContact O-N 3.14Å; M108-D112 HydrophobicContact CG-CB 4.08Å; M108-L113 HydrophobicContact CE-CD2 3.46Å; M108-L113 VanDerWaalsContact CE-CD2 3.46Å; M108-L113 HydrophobicContact CE-CG 3.97Å; M108-L113 HydrophobicContact CG-CD2 4.3Å; M108-L113 HydrophobicContact CG-CG 4.09Å; M108-L113 HydrophobicContact SD-CD2 3.57Å; M108-L113 VanDerWaalsContact SD-CD2 3.57Å; M108-L113 HydrophobicContact SD-CG 4.03Å
109T72.3Confident57.1Low69 Ų69110.8 Ų110.842%0.42362%0.623SS.*  trans-81.8157.7176.3630000110.2K107 D111 D112 L113K107-T109 PolarHBondContact O-N 2.99Å; T109-D111 PolarHBondContact O-N 3.11Å; T109-D112 PolarHBondContact N-OD2 2.77Å; T109-D112 VanDerWaalsContact N-OD2 3.16Å; T109-D112 WeakPolarHBondContact O-CB 3.24Å; T109-D112 PolarHBondContact O-N 3.29Å; T109-D112 VanDerWaalsContact O-N 3.1Å; T109-D112 PolarHBondContact OG1-N 3.38Å; T109-D112 PolarHBondContact OG1-OD2 3.49Å; T109-L113 PolarHBondContact O-N 2.68Å
110M60.6Low59.7Low135 Ų135105.5 Ų105.567%0.66559%0.587SS**Hα-helixtrans-56.9-36.8175.8-175.264.3-179.100111.1D112 L113 I114M110-D112 PolarHBondContact O-N 2.87Å; M110-L113 WeakPolarHBondContact O-CB 3.26Å; M110-L113 PolarHBondContact O-N 3.42Å; M110-I114 HydrophobicContact CE-CD1 4.25Å; M110-I114 HydrophobicContact CE-CG1 4.35Å; M110-I114 HydrophobicContact CG-CD1 3.96Å; M110-I114 VanDerWaalsContact O-CG1 3.27Å; M110-I114 WeakPolarHBondContact O-CG1 3.31Å; M110-I114 PolarHBondContact O-N 3.36Å
111D66.9Low62.3Low118 Ų118106.1 Ų106.163%0.63158%0.582SS**Hα-helixtrans-66.1-35.6177.4-61.2-36.9000112.5T109 L113 I114 A115T109-D111 PolarHBondContact O-N 3.11Å; D111-L113 VanDerWaalsContact C-N 3.33Å; D111-I114 PolarHBondContact O-N 3.22Å; D111-A115 WeakPolarHBondContact O-CB 3.32Å; D111-A115 PolarHBondContact O-N 3.45Å
112D61Low65Low78 Ų78108.2 Ų108.242%0.41757%0.567SS.*Hα-helixtrans-67.7-34174.7-65.4-46.2000112.2M108 T109 M110 R116M108-D112 HydrophobicContact CG-CB 4.08Å; T109-D112 PolarHBondContact N-OD2 2.77Å; T109-D112 VanDerWaalsContact N-OD2 3.16Å; T109-D112 WeakPolarHBondContact O-CB 3.24Å; T109-D112 PolarHBondContact O-N 3.29Å; T109-D112 VanDerWaalsContact O-N 3.1Å; T109-D112 PolarHBondContact OG1-N 3.38Å; T109-D112 PolarHBondContact OG1-OD2 3.49Å; M110-D112 PolarHBondContact O-N 2.87Å; D112-R116 WeakPolarHBondContact O-CG 3.08Å; D112-R116 PolarHBondContact O-N 3.26Å
113L62.8Low67.9Low85 Ų85106.3 Ų106.345%0.44554%0.537SS..Hα-helixtrans-68.1-46.5173.2-73.9165.4000110.3M108 T109 M110 D111 A115 R116 Q117M108-L113 HydrophobicContact CE-CD2 3.46Å; M108-L113 VanDerWaalsContact CE-CD2 3.46Å; M108-L113 HydrophobicContact CE-CG 3.97Å; M108-L113 HydrophobicContact CG-CD2 4.3Å; M108-L113 HydrophobicContact CG-CG 4.09Å; M108-L113 HydrophobicContact SD-CD2 3.57Å; M108-L113 VanDerWaalsContact SD-CD2 3.57Å; M108-L113 HydrophobicContact SD-CG 4.03Å; T109-L113 PolarHBondContact O-N 2.68Å; M110-L113 WeakPolarHBondContact O-CB 3.26Å; M110-L113 PolarHBondContact O-N 3.42Å; D111-L113 VanDerWaalsContact C-N 3.33Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.85Å; L113-R116 PolarHBondContact O-N 3.23Å; L113-R116 VanDerWaalsContact O-N 3.13Å; L113-Q117 PolarHBondContact O-N 3.47Å
114I58.8Low70.2Confident48 Ų48111.8 Ų111.825%0.24655%0.553CS.*Hα-helixtrans-60.8-42.3178.1-70.1166.1000111.5M110 D111 R116 Q117M110-I114 HydrophobicContact CE-CD1 4.25Å; M110-I114 HydrophobicContact CE-CG1 4.35Å; M110-I114 HydrophobicContact CG-CD1 3.96Å; M110-I114 VanDerWaalsContact O-CG1 3.27Å; M110-I114 WeakPolarHBondContact O-CG1 3.31Å; M110-I114 PolarHBondContact O-N 3.36Å; D111-I114 PolarHBondContact O-N 3.22Å; I114-R116 PolarHBondContact O-N 3.38Å; I114-Q117 PolarHBondContact O-N 3.49Å
115A58.5Low73Confident85 Ų85103.8 Ų103.870%0.70253%0.529SS*.Hα-helixtrans-67-20.2179.700000113.2D111 L113D111-A115 WeakPolarHBondContact O-CB 3.32Å; D111-A115 PolarHBondContact O-N 3.45Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.85Å
116R67.1Low74.9Confident196 Ų196101.9 Ų101.974%0.7450%0.502SS*.Hα-helixtrans-90.8-15176.5-73.7-179.3178.2-158-0.9113.7D112 L113 I114D112-R116 WeakPolarHBondContact O-CG 3.08Å; D112-R116 PolarHBondContact O-N 3.26Å; L113-R116 PolarHBondContact O-N 3.23Å; L113-R116 VanDerWaalsContact O-N 3.13Å; I114-R116 PolarHBondContact O-N 3.38Å
117Q76.9Confident76.7Confident68 Ų6896.1 Ų96.132%0.31848%0.48SS..SBendtrans-72.2136.3176.8-74.8-179.1-40.500110.8L113 I114 R119 V308 D313L113-Q117 PolarHBondContact O-N 3.47Å; I114-Q117 PolarHBondContact O-N 3.49Å; Q117-R119 PolarHBondContact O-N 3.12Å; Q117-V308 HydrophobicContact CB-CG2 4.03Å; Q117-V308 HydrophobicContact CG-CG2 4.45Å; Q117-D313 PolarHBondContact NE2-OD1 3.39Å
118I87.6Confident78.2Confident55 Ų5586.7 Ų86.728%0.28244%0.439SS..EExtended strand (participates in β ladder)trans-76111.4175.6-58.1170.7000107.5I278 L282 V287 V307 V308I118-I278 HydrophobicContact CG2-CD1 4.32Å; I118-L282 HydrophobicContact CG2-CD2 3.74Å; I118-V287 HydrophobicContact CD1-CG1 4.37Å; I118-V287 HydrophobicContact CD1-CG2 4.08Å; I118-V307 HydrophobicContact CB-CG1 4.1Å; I118-V307 HydrophobicContact CG2-CG1 4.24Å; I118-V307 CarbonylContact O-C 3.53Å; I118-V307 WeakPolarHBondContact O-CA 3.28Å; I118-V307 WeakPolarHBondContact O-CB 3.24Å; I118-V308 PolarHBondContact O-N 2.81Å
119R91.1Very high80Confident139 Ų13984.4 Ų84.453%0.52544%0.435SS..EExtended strand (participates in β ladder)trans-92.5124177.5-70.5178.6172.9-124.1-4.8110Q117 V308Q117-R119 PolarHBondContact O-N 3.12Å; R119-V308 WeakPolarHBondContact CA-O 3.31Å; R119-V308 HydrophobicContact CG-CB 4.07Å; R119-V308 HydrophobicContact CG-CG1 4.48Å
120V92.8Very high81.1Confident2 Ų281.6 Ų81.61%0.01242%0.418CS..EExtended strand (participates in β ladder)trans-101.3106.4172.4-173.50000108.4I278 L282 V307 V308 A309 V317 F321 F322V120-I278 HydrophobicContact CG1-CG2 4.18Å; V120-I278 HydrophobicContact CG2-CG1 4.31Å; V120-L282 HydrophobicContact CG2-CD1 3.91Å; V120-V307 HydrophobicContact CG2-CB 4.12Å; V120-V307 HydrophobicContact CG2-CG2 4.04Å; V120-V308 PolarHBondContact N-O 2.82Å; V120-A309 HydrophobicContact CB-CB 4.18Å; V120-V317 HydrophobicContact CG1-CG1 3.99Å; V120-V317 HydrophobicContact CG2-CG2 4.49Å; V120-F321 HydrophobicContact CG1-CB 4.03Å; V120-F321 HydrophobicContact CG1-CD1 4.48Å; V120-F322 HydrophobicContact CG1-CD1 4.29Å; V120-F322 HydrophobicContact CG1-CE1 3.6Å; V120-F322 HydrophobicContact CG1-CZ 4.33Å
121T91.8Very high82.8Confident95 Ų9575.1 Ų75.158%0.58339%0.387SS*.  trans-117.614917753.70000109.5Q123T121-Q123 PolarHBondContact O-N 2.97Å
122R89.7Confident84.1Confident151 Ų15169.7 Ų69.757%0.5736%0.358SS*.  trans-60.3133172.2-78-177.2173.5170.90.3109.7D320 F321R122-D320 PolarHBondContact NE-O 3.16Å; R122-D320 IonicContact NH2-OD2 3.06Å; R122-F321 HydrophobicContact CG-CD1 3.87Å; R122-F321 HydrophobicContact CG-CE1 4.29Å; R122-F321 HydrophobicContact CG-CG 4.32Å
123Q92.3Very high85.6Confident40 Ų4066.4 Ų66.419%0.18734%0.34CS..  trans-81.3127.5172.2173.8174.5-24.800108.6T121 A125 V324T121-Q123 PolarHBondContact O-N 2.97Å; Q123-A125 WeakPolarHBondContact CG-O 3.1Å; Q123-A125 PolarHBondContact NE2-O 3.01Å; Q123-V324 HydrophobicContact CB-CG2 3.8Å; Q123-V324 HydrophobicContact CG-CG1 4.46Å; Q123-V324 HydrophobicContact CG-CG2 4.07Å
124E89.1Confident87Confident202 Ų20262.8 Ų62.894%0.94432%0.321SS*.SBendtrans-73-34-171.4-65-174.9168.800113.4
125A91.1Very high88.3Confident61 Ų6166.6 Ų66.650%0.50433%0.332SS..SBendtrans-137140.3-176.600000111.5Q123Q123-A125 WeakPolarHBondContact CG-O 3.1Å; Q123-A125 PolarHBondContact NE2-O 3.01Å
126P92.4Very high89.7Confident36 Ų3666.6 Ų66.623%0.23432%0.321CS..  trans-67.2156.7170.330.2-35.1000110.5C128 Q274 V324 P325 V326P126-C128 VanDerWaalsContact C-N 3.3Å; P126-C128 WeakPolarHBondContact CB-O 3.2Å; P126-C128 WeakPolarHBondContact CG-O 3.37Å; P126-Q274 HydrophobicContact CB-CB 4.34Å; P126-V324 HydrophobicContact CB-CG1 3.8Å; P126-V324 HydrophobicContact CG-CG1 4.29Å; P126-P325 WeakPolarHBondContact CG-O 3.45Å; P126-V326 HydrophobicContact CB-CG2 3.85Å; P126-V326 HydrophobicContact CG-CG2 4.22Å
127L93.2Very high90.6Very high66 Ų6658.6 Ų58.635%0.34630%0.295SS..SBendtrans-75-25.7169.8-60.8177000111.5P249 E277L127-P249 WeakPolarHBondContact CB-O 3.32Å; L127-P249 HydrophobicContact CD1-CB 4.08Å; L127-P249 WeakPolarHBondContact CD1-O 3.48Å; L127-E277 HydrophobicContact CD1-CG 4.05Å
128C91.8Very high90.9Very high0 Ų055.9 Ų55.90%028%0.284CS..SBendtrans-86128.2169.8175.40000110.4P126 A130 V170 E250 V252 V326P126-C128 VanDerWaalsContact C-N 3.3Å; P126-C128 WeakPolarHBondContact CB-O 3.2Å; P126-C128 WeakPolarHBondContact CG-O 3.37Å; C128-A130 PolarHBondContact SG-O 3.19Å; C128-V170 HydrophobicContact CB-CG2 4.4Å; C128-V170 WeakPolarHBondContact SG-CG2 3.44Å; C128-E250 HydrophobicContact CB-CB 4.02Å; C128-V252 HydrophobicContact CB-CG2 4.42Å; C128-V326 HydrophobicContact CB-CG1 4.5Å
129A92.6Very high90.7Very high44 Ų4457 Ų5736%0.36429%0.29SS..SBendtrans-73.7-39.9-178.200000113T167 K168 E169A129-T167 WeakPolarHBondContact CB-O 3.43Å; A129-K168 HydrophobicContact CB-CB 4.28Å; A129-K168 PolarHBondContact N-O 2.83Å; A129-E169 HydrophobicContact CB-CG 4.19Å
130A94.9Very high90.4Very high9 Ų952.1 Ų52.17%0.07428%0.28CS..EExtended strand (participates in β ladder)trans-160.6153.7177.400000110.9C128 E169 V170 K327C128-A130 PolarHBondContact SG-O 3.19Å; A130-E169 HydrophobicContact CB-CG 4.18Å; A130-V170 PolarHBondContact O-N 3.37Å; A130-K327 CarbonylContact C-O 3.48Å; A130-K327 VanDerWaalsContact CA-O 3.24Å; A130-K327 WeakPolarHBondContact CA-O 3.5Å; A130-K327 HydrophobicContact CB-CB 4.14Å
131A95.8Very high90Very high0 Ų052.1 Ų52.10%028%0.28CS..EExtended strand (participates in β ladder)trans-109.4111.8170.700000109.2F133 V170 V252 A272 V326 K327 I328 S329A131-F133 HydrophobicContact CB-CE2 3.71Å; A131-F133 HydrophobicContact CB-CZ 4.12Å; A131-V170 CarbonylContact C-O 3.59Å; A131-V170 WeakPolarHBondContact CA-O 3.39Å; A131-V252 HydrophobicContact CB-CG1 3.84Å; A131-V252 HydrophobicContact CB-CG2 4.02Å; A131-A272 HydrophobicContact CB-CB 4.17Å; A131-V326 HydrophobicContact CB-CG1 4Å; A131-K327 PolarHBondContact N-O 3Å; A131-I328 WeakPolarHBondContact O-CA 3.11Å; A131-S329 PolarHBondContact O-N 2.9Å
132S95.2Very high89.4Confident3 Ų349.8 Ų49.82%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-98.7119176.8-167.30000110V170 F171 V172 S329 D330 H331S132-V170 PolarHBondContact N-O 3.29Å; S132-F171 CarbonylContact O-C 3.57Å; S132-V172 PolarHBondContact O-N 3.34Å; S132-S329 VanDerWaalsContact CA-O 3.28Å; S132-S329 WeakPolarHBondContact CA-O 3.27Å; S132-S329 WeakPolarHBondContact CA-OG 3.27Å; S132-S329 VanDerWaalsContact CB-OG 3.22Å; S132-S329 WeakPolarHBondContact CB-OG 3.38Å; S132-S329 PolarHBondContact OG-OG 2.86Å; S132-D330 PolarHBondContact OG-O 2.81Å; S132-H331 PolarHBondContact O-CE1 3.01Å; S132-H331 PolarHBondContact O-ND1 3.01Å; S132-H331 PolarHBondContact OG-ND1 3.18Å
133F92.8Very high89Confident10 Ų1046 Ų464%0.04425%0.253CS..EExtended strand (participates in β ladder)trans-100.8136.7179.9-64.2-93.8000111.7A131 R135 A138 L159 V172 V252 A254 I328 S329 D330 H331A131-F133 HydrophobicContact CB-CE2 3.71Å; A131-F133 HydrophobicContact CB-CZ 4.12Å; F133-R135 PolarHBondContact O-N 2.75Å; F133-A138 HydrophobicContact CB-CB 4.38Å; F133-L159 HydrophobicContact CE1-CD1 3.87Å; F133-L159 HydrophobicContact CE1-CD2 4.29Å; F133-L159 HydrophobicContact CZ-CD1 4.36Å; F133-V172 HydrophobicContact CD1-CB 3.84Å; F133-V172 HydrophobicContact CD1-CG1 3.91Å; F133-V172 HydrophobicContact CD1-CG2 4Å; F133-V172 HydrophobicContact CE1-CB 4.23Å; F133-V172 HydrophobicContact CE1-CG1 4.27Å; F133-V172 HydrophobicContact CE1-CG2 3.89Å; F133-V172 HydrophobicContact CG-CB 4.45Å; F133-V172 HydrophobicContact CZ-CG2 4.46Å; F133-V252 HydrophobicContact CZ-CG1 4.5Å; F133-A254 HydrophobicContact CE1-CB 4.03Å; F133-A254 HydrophobicContact CZ-CB 3.73Å; F133-I328 HydrophobicContact CD2-CG2 4.11Å; F133-I328 HydrophobicContact CE2-CG1 4.38Å; F133-I328 HydrophobicContact CE2-CG2 4.36Å; F133-S329 PolarHBondContact N-O 2.92Å; F133-D330 VanDerWaalsContact O-CA 3.32Å; F133-D330 WeakPolarHBondContact O-CA 3.31Å; F133-H331 PolarHBondContact O-N 3.01Å
134D91.2Very high88.3Confident8 Ų846.7 Ų46.74%0.04326%0.256CS..EExtended strand (participates in β ladder)trans-63.4126.3168.3174.566.5000109.9D136 S137 A138 V172 H331 V333D134-D136 PolarHBondContact O-N 2.83Å; D134-D136 PolarHBondContact OD2-N 2.9Å; D134-S137 PolarHBondContact O-N 3.31Å; D134-S137 WeakPolarHBondContact OD2-CB 3.46Å; D134-S137 PolarHBondContact OD2-N 2.89Å; D134-S137 PolarHBondContact OD2-OG 3.13Å; D134-A138 WeakPolarHBondContact O-CB 3.45Å; D134-A138 PolarHBondContact O-N 2.78Å; D134-V172 WeakPolarHBondContact CB-O 3.47Å; D134-V172 PolarHBondContact N-O 2.69Å; D134-H331 WeakPolarHBondContact CA-O 3.34Å; D134-H331 PolarHBondContact N-CE1 3.32Å; D134-H331 VanDerWaalsContact N-CE1 3.28Å; D134-V333 HydrophobicContact CB-CG2 3.92Å; D134-V333 WeakPolarHBondContact OD1-CG2 3.25Å; D134-V333 PolarHBondContact OD1-N 2.82Å
135R86.9Confident87.7Confident128 Ų12837.1 Ų37.148%0.48321%0.211SC..Hα-helixtrans-60.3-43.2-174.3-68.6178.5-161.91574.8112.7F133 N139 D330 H331F133-R135 PolarHBondContact O-N 2.75Å; R135-N139 WeakPolarHBondContact O-CB 3.3Å; R135-N139 PolarHBondContact O-N 3.49Å; R135-D330 HydrophobicContact CG-CB 3.96Å; R135-D330 IonicContact CZ-OD1 2.67Å; R135-D330 VanDerWaalsContact CZ-OD1 3.27Å; R135-D330 VanDerWaalsContact NE-CG 3.29Å; R135-D330 IonicContact NE-OD1 3.52Å; R135-D330 PolarHBondContact NE-OD1 3.22Å; R135-D330 IonicContact NE-OD2 3.47Å; R135-D330 IonicContact NH2-OD1 3.48Å; R135-D330 PolarHBondContact NH2-OD1 3.31Å; R135-H331 PolarHBondContact N-O 2.96Å
136D87.1Confident86.9Confident86 Ų8636.2 Ų36.246%0.4620%0.204SC..Hα-helixtrans-69.2-42-177.4-70.8-25.6000110.8D134 N139 A140 Q332D134-D136 PolarHBondContact O-N 2.83Å; D134-D136 PolarHBondContact OD2-N 2.9Å; D136-N139 PolarHBondContact O-N 2.88Å; D136-A140 VanDerWaalsContact O-CB 3.3Å; D136-A140 WeakPolarHBondContact O-CB 3.31Å; D136-A140 PolarHBondContact O-N 3.24Å; D136-Q332 PolarHBondContact OD2-NE2 3.03Å
137S86.3Confident86.2Confident28 Ų2841.8 Ų41.820%0.19623%0.227CC..Hα-helixtrans-65.4-44.1177.5-60.80000112.3D134 F141 D173D134-S137 PolarHBondContact O-N 3.31Å; D134-S137 WeakPolarHBondContact OD2-CB 3.46Å; D134-S137 PolarHBondContact OD2-N 2.89Å; D134-S137 PolarHBondContact OD2-OG 3.13Å; S137-F141 PolarHBondContact O-N 3.1Å; S137-F141 VanDerWaalsContact O-N 3.15Å; S137-D173 PolarHBondContact OG-O 3.23Å; S137-D173 VanDerWaalsContact OG-O 3.08Å
138A83.9Confident85.4Confident11 Ų1142.3 Ų42.39%0.09124%0.236CC..Hα-helixtrans-62.6-47.8175.200000110.8F133 D134 A140 F141 Q142 F270F133-A138 HydrophobicContact CB-CB 4.38Å; D134-A138 WeakPolarHBondContact O-CB 3.45Å; D134-A138 PolarHBondContact O-N 2.78Å; A138-A140 PolarHBondContact O-N 2.75Å; A138-F141 PolarHBondContact O-N 2.8Å; A138-Q142 VanDerWaalsContact O-CG 3.25Å; A138-Q142 WeakPolarHBondContact O-CG 3.29Å; A138-Q142 PolarHBondContact O-N 2.8Å; A138-F270 HydrophobicContact CB-CE1 4.43Å; A138-F270 HydrophobicContact CB-CZ 4.18Å
139N83.5Confident84.6Confident78 Ų7844.3 Ų44.342%0.41725%0.246SC..Hα-helixtrans-61.8-42.2178.7-174.140.9000112.2R135 D136 F141 Q142 L143R135-N139 WeakPolarHBondContact O-CB 3.3Å; R135-N139 PolarHBondContact O-N 3.49Å; D136-N139 PolarHBondContact O-N 2.88Å; N139-F141 VanDerWaalsContact C-N 3.34Å; N139-F141 PolarHBondContact O-N 3.35Å; N139-Q142 PolarHBondContact O-N 2.88Å; N139-L143 WeakPolarHBondContact O-CB 3.19Å; N139-L143 VanDerWaalsContact O-CG 3.29Å; N139-L143 WeakPolarHBondContact O-CG 3.45Å; N139-L143 PolarHBondContact O-N 3.13Å
140A85.1Confident83.8Confident37 Ų3745.5 Ų45.531%0.30626%0.256SS..Hα-helixtrans-60.2-43.4176.700000112.2D136 A138 H144D136-A140 VanDerWaalsContact O-CB 3.3Å; D136-A140 WeakPolarHBondContact O-CB 3.31Å; D136-A140 PolarHBondContact O-N 3.24Å; A138-A140 PolarHBondContact O-N 2.75Å; A140-H144 WeakPolarHBondContact O-CB 3.45Å; A140-H144 PolarHBondContact O-N 3.29Å
141F83.3Confident83Confident2 Ų245.1 Ų45.11%0.00925%0.253CS..Hα-helixtrans-65.6-42.6176.2-174.3-101.5000111.8S137 A138 N139 H144 V145 I175 E177 V214 T216 V256S137-F141 PolarHBondContact O-N 3.1Å; S137-F141 VanDerWaalsContact O-N 3.15Å; A138-F141 PolarHBondContact O-N 2.8Å; N139-F141 VanDerWaalsContact C-N 3.34Å; N139-F141 PolarHBondContact O-N 3.35Å; F141-H144 PolarHBondContact O-N 2.8Å; F141-V145 HydrophobicContact CD1-CG2 4.44Å; F141-V145 HydrophobicContact CE1-CG2 4.2Å; F141-V145 HydrophobicContact CZ-CG2 4.28Å; F141-V145 WeakPolarHBondContact O-CG2 3.4Å; F141-V145 PolarHBondContact O-N 2.75Å; F141-V145 VanDerWaalsContact O-N 3.14Å; F141-I175 HydrophobicContact CB-CD1 3.69Å; F141-I175 HydrophobicContact CD1-CD1 4.44Å; F141-I175 HydrophobicContact CD2-CD1 4.43Å; F141-I175 HydrophobicContact CD2-CG2 3.97Å; F141-I175 HydrophobicContact CE2-CG2 4.31Å; F141-I175 HydrophobicContact CG-CD1 3.95Å; F141-E177 HydrophobicContact CD2-CG 4.1Å; F141-E177 HydrophobicContact CE2-CG 4Å; F141-V214 HydrophobicContact CD1-CG2 4.41Å; F141-V214 HydrophobicContact CE1-CG1 4.25Å; F141-V214 HydrophobicContact CE1-CG2 3.82Å; F141-V214 HydrophobicContact CE2-CG1 4.34Å; F141-V214 HydrophobicContact CZ-CG1 4.04Å; F141-V214 HydrophobicContact CZ-CG2 4.29Å; F141-T216 HydrophobicContact CE1-CG2 3.63Å; F141-T216 HydrophobicContact CZ-CG2 3.84Å; F141-V256 HydrophobicContact CD1-CG2 4.09Å; F141-V256 HydrophobicContact CE1-CB 4.38Å; F141-V256 HydrophobicContact CE1-CG2 3.84Å
142Q80.2Confident82.2Confident46 Ų4647.5 Ų47.522%0.21527%0.272CS..Hα-helixtrans-59.8-49.7175.5-69.3178.520.900112A138 N139 H144 V145 A146 V268 F270A138-Q142 VanDerWaalsContact O-CG 3.25Å; A138-Q142 WeakPolarHBondContact O-CG 3.29Å; A138-Q142 PolarHBondContact O-N 2.8Å; N139-Q142 PolarHBondContact O-N 2.88Å; Q142-H144 VanDerWaalsContact C-N 3.33Å; Q142-H144 PolarHBondContact O-N 2.88Å; Q142-V145 PolarHBondContact O-N 2.95Å; Q142-A146 VanDerWaalsContact O-CB 3.31Å; Q142-A146 WeakPolarHBondContact O-CB 3.28Å; Q142-A146 PolarHBondContact O-N 2.78Å; Q142-V268 HydrophobicContact CB-CG1 4.24Å; Q142-V268 HydrophobicContact CG-CB 4.22Å; Q142-V268 HydrophobicContact CG-CG1 3.62Å; Q142-F270 HydrophobicContact CG-CE2 3.45Å; Q142-F270 VanDerWaalsContact CG-CE2 3.45Å; Q142-F270 HydrophobicContact CG-CZ 3.9Å
143L79.8Confident81.7Confident70 Ų7049.4 Ų49.437%0.36628%0.284SS..Hα-helixtrans-60.4-43.5-180-73.5172000111.1N139 V145 A146 E147N139-L143 WeakPolarHBondContact O-CB 3.19Å; N139-L143 VanDerWaalsContact O-CG 3.29Å; N139-L143 WeakPolarHBondContact O-CG 3.45Å; N139-L143 PolarHBondContact O-N 3.13Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.41Å; L143-A146 PolarHBondContact O-N 2.82Å; L143-E147 VanDerWaalsContact O-CB 3.24Å; L143-E147 WeakPolarHBondContact O-CB 3.3Å; L143-E147 WeakPolarHBondContact O-CG 3.38Å; L143-E147 PolarHBondContact O-N 3.46Å
144H77.6Confident81.6Confident56 Ų5649.1 Ų49.126%0.25928%0.283SS..Iπ-helixtrans-60-42.9177.2-177.150.3000112.2A140 F141 Q142 S148 R155 E177A140-H144 WeakPolarHBondContact O-CB 3.45Å; A140-H144 PolarHBondContact O-N 3.29Å; F141-H144 PolarHBondContact O-N 2.8Å; Q142-H144 VanDerWaalsContact C-N 3.33Å; Q142-H144 PolarHBondContact O-N 2.88Å; H144-S148 PolarHBondContact ND1-OG 3.23Å; H144-S148 WeakPolarHBondContact O-CA 3.37Å; H144-S148 WeakPolarHBondContact O-CB 3.17Å; H144-S148 PolarHBondContact O-N 2.9Å; H144-S148 PolarHBondContact O-OG 3.08Å; H144-R155 PolarHBondContact CD2-NE 3.49Å; H144-R155 PolarHBondContact NE2-NE 3.2Å; H144-R155 PolarHBondContact NE2-NH2 3.44Å; H144-R155 VanDerWaalsContact NE2-NH2 3.11Å; H144-E177 IonicContact CD2-OE1 3.65Å; H144-E177 IonicContact CD2-OE2 3.98Å; H144-E177 PolarHBondContact CD2-OE2 3.24Å; H144-E177 IonicContact NE2-OE2 3.72Å
145V76.8Confident81.6Confident0 Ų051.5 Ų51.50%029%0.291CS..Iπ-helixtrans-71.7-40.5-179.4176.80000111.4F141 Q142 L143 L149 A150 F151 R155 T216F141-V145 HydrophobicContact CD1-CG2 4.44Å; F141-V145 HydrophobicContact CE1-CG2 4.2Å; F141-V145 HydrophobicContact CZ-CG2 4.28Å; F141-V145 WeakPolarHBondContact O-CG2 3.4Å; F141-V145 PolarHBondContact O-N 2.75Å; F141-V145 VanDerWaalsContact O-N 3.14Å; Q142-V145 PolarHBondContact O-N 2.95Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.41Å; V145-L149 CarbonylContact O-C 3.58Å; V145-L149 WeakPolarHBondContact O-CB 3.4Å; V145-L149 PolarHBondContact O-N 2.84Å; V145-A150 PolarHBondContact O-N 3.26Å; V145-F151 HydrophobicContact CB-CE1 4.47Å; V145-F151 HydrophobicContact CB-CE2 4.45Å; V145-F151 HydrophobicContact CB-CZ 4.26Å; V145-F151 HydrophobicContact CG1-CD1 3.51Å; V145-F151 HydrophobicContact CG1-CD2 3.88Å; V145-F151 HydrophobicContact CG1-CE1 3.45Å; V145-F151 VanDerWaalsContact CG1-CE1 3.45Å; V145-F151 HydrophobicContact CG1-CE2 3.81Å; V145-F151 HydrophobicContact CG1-CG 3.74Å; V145-F151 HydrophobicContact CG1-CZ 3.6Å; V145-F151 PolarHBondContact O-N 2.86Å; V145-R155 HydrophobicContact CG2-CB 4.37Å; V145-T216 HydrophobicContact CB-CG2 4.14Å; V145-T216 HydrophobicContact CG1-CG2 3.64Å; V145-T216 HydrophobicContact CG2-CG2 3.49Å; V145-T216 VanDerWaalsContact CG2-CG2 3.49Å
146A74.8Confident81.9Confident42 Ų4245.4 Ų45.435%0.34727%0.268SS..Iπ-helixtrans-70.5-50.8179.400000111.9Q142 L143 A150 F151Q142-A146 VanDerWaalsContact O-CB 3.31Å; Q142-A146 WeakPolarHBondContact O-CB 3.28Å; Q142-A146 PolarHBondContact O-N 2.78Å; L143-A146 PolarHBondContact O-N 2.82Å; A146-A150 VanDerWaalsContact O-CA 3.23Å; A146-A150 WeakPolarHBondContact O-CA 3.5Å; A146-A150 PolarHBondContact O-N 2.75Å; A146-A150 VanDerWaalsContact O-N 3.13Å; A146-F151 HydrophobicContact CB-CE2 4.03Å
147E77.8Confident82.3Confident154 Ų15441.3 Ų41.372%0.7225%0.246SC*.Iπ-helixtrans-80.1-43.1-173.5-63-175.6170.700112.7L143L143-E147 VanDerWaalsContact O-CB 3.24Å; L143-E147 WeakPolarHBondContact O-CB 3.3Å; L143-E147 WeakPolarHBondContact O-CG 3.38Å; L143-E147 PolarHBondContact O-N 3.46Å
148S75.3Confident82.7Confident76 Ų7640 Ų4053%0.53124%0.237SC..Iπ-helixtrans-85.7-31.5-174.8-53.40000112.9H144H144-S148 PolarHBondContact ND1-OG 3.23Å; H144-S148 WeakPolarHBondContact O-CA 3.37Å; H144-S148 WeakPolarHBondContact O-CB 3.17Å; H144-S148 PolarHBondContact O-N 2.9Å; H144-S148 PolarHBondContact O-OG 3.08Å
149L75.3Confident83.3Confident42 Ų4239.5 Ų39.522%0.2223%0.233CC..Hα-helixtrans-118.5-15.8-172.5-59.2178.6000113.7V145 F151 A152 R155V145-L149 CarbonylContact O-C 3.58Å; V145-L149 WeakPolarHBondContact O-CB 3.4Å; V145-L149 PolarHBondContact O-N 2.84Å; L149-F151 PolarHBondContact O-N 3.39Å; L149-F151 VanDerWaalsContact O-N 3.07Å; L149-A152 WeakPolarHBondContact O-CB 3.47Å; L149-A152 PolarHBondContact O-N 3.48Å; L149-R155 HydrophobicContact CD1-CB 4.21Å; L149-R155 HydrophobicContact CD1-CG 4.44Å
150A77.1Confident83.9Confident69 Ų6935.8 Ų35.857%0.5721%0.213SC*.THydrogen-bonded Turntrans4833-171.500000112.9V145 A146 A152V145-A150 PolarHBondContact O-N 3.26Å; A146-A150 VanDerWaalsContact O-CA 3.23Å; A146-A150 WeakPolarHBondContact O-CA 3.5Å; A146-A150 PolarHBondContact O-N 2.75Å; A146-A150 VanDerWaalsContact O-N 3.13Å; A150-A152 PolarHBondContact O-N 3.36Å
151F76.3Confident84.4Confident2 Ų234 Ų341%0.00920%0.198CC..THydrogen-bonded Turntrans52.322.4-170.8-67.5-100.8000114.4V145 A146 L149 T153 Q217 A218 V219 V256 L258 V268V145-F151 HydrophobicContact CB-CE1 4.47Å; V145-F151 HydrophobicContact CB-CE2 4.45Å; V145-F151 HydrophobicContact CB-CZ 4.26Å; V145-F151 HydrophobicContact CG1-CD1 3.51Å; V145-F151 HydrophobicContact CG1-CD2 3.88Å; V145-F151 HydrophobicContact CG1-CE1 3.45Å; V145-F151 VanDerWaalsContact CG1-CE1 3.45Å; V145-F151 HydrophobicContact CG1-CE2 3.81Å; V145-F151 HydrophobicContact CG1-CG 3.74Å; V145-F151 HydrophobicContact CG1-CZ 3.6Å; V145-F151 PolarHBondContact O-N 2.86Å; A146-F151 HydrophobicContact CB-CE2 4.03Å; L149-F151 PolarHBondContact O-N 3.39Å; L149-F151 VanDerWaalsContact O-N 3.07Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.96Å; F151-Q217 WeakPolarHBondContact CD1-O 3.3Å; F151-A218 CarbonylContact O-C 3.52Å; F151-A218 WeakPolarHBondContact O-CA 3.38Å; F151-A218 VanDerWaalsContact O-CB 3.24Å; F151-A218 WeakPolarHBondContact O-CB 3.4Å; F151-V219 HydrophobicContact CB-CG2 3.86Å; F151-V219 PolarHBondContact O-N 2.78Å; F151-V256 HydrophobicContact CE1-CG1 4.23Å; F151-V256 HydrophobicContact CZ-CG1 4.37Å; F151-L258 HydrophobicContact CD1-CB 4.26Å; F151-L258 HydrophobicContact CD2-CB 4.01Å; F151-L258 HydrophobicContact CD2-CD2 4.1Å; F151-L258 HydrophobicContact CD2-CG 4.48Å; F151-L258 HydrophobicContact CE1-CB 4.28Å; F151-L258 HydrophobicContact CE2-CB 4.05Å; F151-L258 HydrophobicContact CE2-CD1 4.24Å; F151-L258 HydrophobicContact CG-CB 4.13Å; F151-L258 HydrophobicContact CZ-CB 4.18Å; F151-V268 HydrophobicContact CE2-CG2 4.13Å; F151-V268 HydrophobicContact CZ-CG1 3.96Å; F151-V268 HydrophobicContact CZ-CG2 3.95Å
152A79.6Confident85Confident50 Ų5039.7 Ų39.741%0.41322%0.219SC..SBendtrans-73.2-21.1178.400000112.9L149 A150 E184L149-A152 WeakPolarHBondContact O-CB 3.47Å; L149-A152 PolarHBondContact O-N 3.48Å; A150-A152 PolarHBondContact O-N 3.36Å; A152-E184 VanDerWaalsContact O-CG 3.31Å; A152-E184 WeakPolarHBondContact O-CG 3.35Å
153T85.7Confident85.8Confident43 Ų4339.2 Ų39.226%0.26422%0.22SC..SBendtrans-136.9148.417553.80000110F151F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.96Å
154K90.3Very high86.5Confident4 Ų438.7 Ų38.72%0.01722%0.217CC..  trans-67.8147.4174.8-67.9-165.4179.4174.40111.1G182 T183 E184 D185 V187 T216 A218 E235K154-G182 VanDerWaalsContact O-CA 3.28Å; K154-G182 WeakPolarHBondContact O-CA 3.27Å; K154-T183 WeakPolarHBondContact CB-O 2.85Å; K154-T183 WeakPolarHBondContact CG-O 3.33Å; K154-T183 PolarHBondContact N-O 2.98Å; K154-E184 WeakPolarHBondContact CE-O 3.08Å; K154-D185 WeakPolarHBondContact CE-O 3.45Å; K154-D185 PolarHBondContact NZ-O 2.95Å; K154-V187 HydrophobicContact CB-CB 3.96Å; K154-V187 HydrophobicContact CB-CG1 4.44Å; K154-T216 WeakPolarHBondContact CA-OG1 3.44Å; K154-T216 WeakPolarHBondContact CG-O 3.39Å; K154-A218 HydrophobicContact CG-CB 4.03Å; K154-E235 WeakPolarHBondContact CE-OE1 3.5Å; K154-E235 IonicContact NZ-OE1 3.37Å; K154-E235 PolarHBondContact NZ-OE1 2.91Å; K154-E235 IonicContact NZ-OE2 3.67Å
155R91.1Very high87.2Confident58 Ų5839.5 Ų39.522%0.21923%0.234CC..  trans-139.2150.5176.1-158.1169.9-17786.84.1109.5H144 V145 L149 E177 Q180 F215 T216H144-R155 PolarHBondContact CD2-NE 3.49Å; H144-R155 PolarHBondContact NE2-NE 3.2Å; H144-R155 PolarHBondContact NE2-NH2 3.44Å; H144-R155 VanDerWaalsContact NE2-NH2 3.11Å; V145-R155 HydrophobicContact CG2-CB 4.37Å; L149-R155 HydrophobicContact CD1-CB 4.21Å; L149-R155 HydrophobicContact CD1-CG 4.44Å; R155-E177 IonicContact CZ-OE2 3.1Å; R155-E177 IonicContact NE-OE2 2.69Å; R155-E177 PolarHBondContact NE-OE2 3.45Å; R155-E177 IonicContact NH2-OE2 3.63Å; R155-E177 PolarHBondContact NH2-OE2 3.14Å; R155-Q180 VanDerWaalsContact CG-OE1 3.25Å; R155-F215 CarbonylContact O-C 3.56Å; R155-F215 WeakPolarHBondContact O-CA 3.15Å; R155-T216 HydrophobicContact CB-CG2 4.22Å; R155-T216 PolarHBondContact N-OG1 2.77Å; R155-T216 PolarHBondContact O-N 3.03Å
156A93.7Very high87.9Confident0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-141.1156.8-17800000112.3Q180 V187 L189 L213 V214 F215A156-Q180 PolarHBondContact O-NE2 2.79Å; A156-Q180 PolarHBondContact O-OE1 3.37Å; A156-V187 HydrophobicContact CB-CB 4.39Å; A156-V187 HydrophobicContact CB-CG1 3.65Å; A156-V187 HydrophobicContact CB-CG2 3.9Å; A156-L189 HydrophobicContact CB-CD2 3.78Å; A156-L213 HydrophobicContact CB-CD1 4.28Å; A156-V214 CarbonylContact C-O 3.55Å; A156-V214 WeakPolarHBondContact CA-O 3.42Å; A156-V214 VanDerWaalsContact CB-O 3.31Å; A156-V214 WeakPolarHBondContact CB-O 3.41Å; A156-F215 HydrophobicContact CB-CB 3.95Å
157G94.1Very high88.9Confident0 Ų048.1 Ų48.10%028%0.277CS..EExtended strand (participates in β ladder)trans-148.6153178.200000111.5Y176 L213 V214G157-Y176 CarbonylContact C-O 3.56Å; G157-Y176 WeakPolarHBondContact CA-O 3.28Å; G157-L213 CarbonylContact O-C 3.39Å; G157-L213 WeakPolarHBondContact O-CA 3.19Å; G157-V214 PolarHBondContact N-O 3.03Å; G157-V214 WeakPolarHBondContact O-CG1 3.34Å; G157-V214 PolarHBondContact O-N 2.8Å
158F95.8Very high89.7Confident0 Ų044.8 Ų44.80%026%0.26CS..EExtended strand (participates in β ladder)trans-83.9133168.8-69.3-58.8000110Y160 Y176 P178 L189 R210 L242F158-Y160 HydrophobicContact CB-CD2 4.24Å; F158-Y160 HydrophobicContact CB-CE2 3.71Å; F158-Y176 HydrophobicContact CB-CD1 4.33Å; F158-Y176 AromaticContact CD2-CD1 3.95Å; F158-Y176 HydrophobicContact CD2-CD1 3.95Å; F158-Y176 HydrophobicContact CD2-CE1 4.17Å; F158-Y176 PolarHBondContact N-O 3.45Å; F158-Y176 PolarHBondContact O-N 3.16Å; F158-P178 HydrophobicContact CD2-CG 4.16Å; F158-P178 HydrophobicContact CE2-CB 4.49Å; F158-P178 HydrophobicContact CE2-CG 4.03Å; F158-L189 HydrophobicContact CE1-CD1 4.36Å; F158-L189 HydrophobicContact CE2-CD1 4.47Å; F158-L189 HydrophobicContact CZ-CD1 3.88Å; F158-R210 HydrophobicContact CB-CG 4.33Å; F158-R210 HydrophobicContact CD1-CG 4.43Å; F158-L242 HydrophobicContact CE1-CD1 4.1Å; F158-L242 HydrophobicContact CE1-CD2 3.92Å; F158-L242 HydrophobicContact CZ-CD2 4.2Å
159L96.4Very high90.7Very high0 Ų044.4 Ų44.40%025%0.25CC..EExtended strand (participates in β ladder)trans-86126.2176.6-56.4-178.9000108.8F133 V172 I175 R210 V211 G212 V214 V252 A254F133-L159 HydrophobicContact CE1-CD1 3.87Å; F133-L159 HydrophobicContact CE1-CD2 4.29Å; F133-L159 HydrophobicContact CZ-CD1 4.36Å; L159-V172 HydrophobicContact CB-CG1 3.96Å; L159-V172 HydrophobicContact CB-CG2 4.14Å; L159-V172 HydrophobicContact CD1-CG2 4.14Å; L159-V172 HydrophobicContact CD2-CG1 3.86Å; L159-V172 HydrophobicContact CG-CG1 4.36Å; L159-I175 HydrophobicContact CD2-CD1 4.33Å; L159-I175 HydrophobicContact CD2-CG1 3.78Å; L159-R210 CarbonylContact O-C 3.47Å; L159-R210 WeakPolarHBondContact O-CA 3.29Å; L159-V211 HydrophobicContact CB-CG2 4Å; L159-V211 WeakPolarHBondContact O-CG2 3.41Å; L159-V211 PolarHBondContact O-N 3.03Å; L159-G212 PolarHBondContact N-O 2.87Å; L159-G212 PolarHBondContact O-N 3Å; L159-V214 HydrophobicContact CD2-CB 3.75Å; L159-V214 HydrophobicContact CD2-CG1 3.62Å; L159-V214 HydrophobicContact CG-CB 4.31Å; L159-V214 HydrophobicContact CG-CG1 4.46Å; L159-V252 HydrophobicContact CD1-CG1 4.49Å; L159-A254 HydrophobicContact CD1-CB 4.24Å
160Y96.3Very high91.7Very high0 Ų042.4 Ų42.40%024%0.239CC..EExtended strand (participates in β ladder)trans-118.3140.6175.7-78.2-94.6000110.9F158 V172 D173 F174 Y176 V199 D200 A203 R209 R210F158-Y160 HydrophobicContact CB-CD2 4.24Å; F158-Y160 HydrophobicContact CB-CE2 3.71Å; Y160-V172 CarbonylContact O-C 3.59Å; Y160-D173 PolarHBondContact O-N 2.95Å; Y160-F174 HydrophobicContact CD1-CE1 4.47Å; Y160-F174 AromaticContact CD1-CZ 3.89Å; Y160-F174 HydrophobicContact CD1-CZ 3.89Å; Y160-F174 HydrophobicContact CD2-CD2 4.38Å; Y160-F174 AromaticContact CD2-CE2 3.62Å; Y160-F174 HydrophobicContact CD2-CE2 3.62Å; Y160-F174 AromaticContact CD2-CZ 3.82Å; Y160-F174 HydrophobicContact CD2-CZ 3.82Å; Y160-F174 HydrophobicContact CE2-CE2 4.44Å; Y160-F174 HydrophobicContact CG-CD2 4.49Å; Y160-F174 AromaticContact CG-CE1 3.95Å; Y160-F174 HydrophobicContact CG-CE1 3.95Å; Y160-F174 AromaticContact CG-CE2 3.68Å; Y160-F174 HydrophobicContact CG-CE2 3.68Å; Y160-F174 AromaticContact CG-CZ 3.36Å; Y160-F174 HydrophobicContact CG-CZ 3.36Å; Y160-F174 PolarHBondContact N-O 3.1Å; Y160-F174 PolarHBondContact O-N 3.19Å; Y160-F174 VanDerWaalsContact O-N 3.09Å; Y160-Y176 HydrophobicContact CE2-CD1 4.11Å; Y160-Y176 HydrophobicContact CE2-CG 4.4Å; Y160-V199 HydrophobicContact CD2-CG1 4.43Å; Y160-V199 HydrophobicContact CE1-CG1 4.19Å; Y160-V199 HydrophobicContact CE2-CG1 3.76Å; Y160-D200 WeakPolarHBondContact CE1-OD1 3.25Å; Y160-D200 VanDerWaalsContact CZ-OD1 3.27Å; Y160-D200 PolarHBondContact OH-OD1 2.85Å; Y160-A203 HydrophobicContact CD1-CB 3.42Å; Y160-A203 VanDerWaalsContact CD1-CB 3.42Å; Y160-A203 HydrophobicContact CE1-CB 3.77Å; Y160-A203 HydrophobicContact CG-CB 4.4Å; Y160-R209 WeakPolarHBondContact CA-O 3.5Å; Y160-R210 HydrophobicContact CD1-CB 4.25Å; Y160-R210 HydrophobicContact CE1-CB 3.81Å
161G95.6Very high92.6Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans166-136.9174.900000111.1F171 D173 M208 R209G161-F171 CarbonylContact C-O 3.6Å; G161-F171 WeakPolarHBondContact CA-O 3.5Å; G161-D173 VanDerWaalsContact CA-OD2 3.32Å; G161-D173 WeakPolarHBondContact CA-OD2 3.5Å; G161-M208 CarbonylContact O-C 3.6Å; G161-M208 VanDerWaalsContact O-CA 3.25Å; G161-M208 WeakPolarHBondContact O-CA 3.2Å; G161-R209 PolarHBondContact N-O 3.14Å; G161-R209 PolarHBondContact O-N 2.94Å
162R95.4Very high93.6Very high121 Ų12141.5 Ų41.546%0.45722%0.223SC..EExtended strand (participates in β ladder)trans-130.1152.8-168.6-69.4167.5-70.6165.25.4111.5V170 F171 D173 G207 M208R162-V170 CarbonylContact O-C 3.41Å; R162-V170 WeakPolarHBondContact O-CA 3.21Å; R162-F171 PolarHBondContact N-O 2.8Å; R162-F171 PolarHBondContact O-N 2.92Å; R162-D173 IonicContact CZ-OD1 2.71Å; R162-D173 IonicContact CZ-OD2 3.27Å; R162-D173 IonicContact NE-OD1 3.71Å; R162-D173 IonicContact NE-OD2 2.87Å; R162-D173 PolarHBondContact NE-OD2 2.89Å; R162-D173 IonicContact NH2-OD1 3.49Å; R162-D173 PolarHBondContact NH2-OD1 3.47Å; R162-D173 IonicContact NH2-OD2 2.78Å; R162-D173 PolarHBondContact NH2-OD2 2.56Å; R162-G207 WeakPolarHBondContact CG-O 3.48Å; R162-M208 HydrophobicContact CG-CG 4.37Å
163V96.2Very high94.2Very high36 Ų3639.5 Ų39.522%0.21821%0.205CC..EExtended strand (participates in β ladder)trans-114121.9170-1730000106.7A165 E169 V170 V211 I248 E250V163-A165 PolarHBondContact O-N 3.39Å; V163-E169 WeakPolarHBondContact CA-O 3.48Å; V163-V170 HydrophobicContact CG1-CG2 4.35Å; V163-V170 HydrophobicContact CG2-CG2 4.18Å; V163-V211 HydrophobicContact CG2-CG1 3.82Å; V163-I248 HydrophobicContact CG2-CD1 4.18Å; V163-E250 HydrophobicContact CG1-CB 3.94Å; V163-E250 HydrophobicContact CG1-CG 3.8Å
164D94.8Very high94.6Very high59 Ų5938 Ų3832%0.31620%0.195SC..  trans-71.9122.3173.3-175.6-76.4000109.2D166 T167 K168 E169 F171D164-D166 VanDerWaalsContact C-N 3.28Å; D164-D166 PolarHBondContact O-N 3.29Å; D164-D166 PolarHBondContact OD1-N 2.98Å; D164-T167 VanDerWaalsContact CB-OG1 3.22Å; D164-T167 WeakPolarHBondContact CB-OG1 3.16Å; D164-T167 WeakPolarHBondContact OD1-CB 3.31Å; D164-T167 PolarHBondContact OD1-N 2.81Å; D164-T167 PolarHBondContact OD1-OG1 3.26Å; D164-K168 VanDerWaalsContact O-CA 3.26Å; D164-K168 WeakPolarHBondContact O-CA 3.47Å; D164-K168 PolarHBondContact O-N 3.38Å; D164-E169 HydrophobicContact CB-CB 4.5Å; D164-E169 PolarHBondContact N-O 3.08Å; D164-F171 HydrophobicContact CB-CE2 4.13Å
165A91.9Very high94.7Very high74 Ų7439 Ų3961%0.61220%0.2SC*.THydrogen-bonded Turntrans-68.9-29.1-170.800000112.9V163V163-A165 PolarHBondContact O-N 3.39Å
166D93.3Very high94.8Very high156 Ų15636.4 Ų36.483%0.83419%0.19SC*.THydrogen-bonded Turntrans-90.4-47.7-173-64.8-35.5000111.1D164D164-D166 VanDerWaalsContact C-N 3.28Å; D164-D166 PolarHBondContact O-N 3.29Å; D164-D166 PolarHBondContact OD1-N 2.98Å
167T94.3Very high94.7Very high67 Ų6739.1 Ų39.141%0.41120%0.203SC..THydrogen-bonded Turntrans-88.6-18.7-176.561.80000113.3A129 D164 E169A129-T167 WeakPolarHBondContact CB-O 3.43Å; D164-T167 VanDerWaalsContact CB-OG1 3.22Å; D164-T167 WeakPolarHBondContact CB-OG1 3.16Å; D164-T167 WeakPolarHBondContact OD1-CB 3.31Å; D164-T167 PolarHBondContact OD1-N 2.81Å; D164-T167 PolarHBondContact OD1-OG1 3.26Å; T167-E169 PolarHBondContact O-N 3.26Å; T167-E169 PolarHBondContact OG1-N 2.99Å
168K95.1Very high94.6Very high83 Ų8339.3 Ų39.336%0.36120%0.204SC..  trans63.321.1-172.7-51.7-53.3-161.5163.10114A129 D164 E250A129-K168 HydrophobicContact CB-CB 4.28Å; A129-K168 PolarHBondContact N-O 2.83Å; D164-K168 VanDerWaalsContact O-CA 3.26Å; D164-K168 WeakPolarHBondContact O-CA 3.47Å; D164-K168 PolarHBondContact O-N 3.38Å; K168-E250 HydrophobicContact CB-CG 4.29Å; K168-E250 HydrophobicContact CD-CG 4.33Å; K168-E250 WeakPolarHBondContact CD-OE1 3.39Å; K168-E250 WeakPolarHBondContact CE-OE1 3.24Å; K168-E250 IonicContact NZ-OE1 2.81Å; K168-E250 PolarHBondContact NZ-OE1 3.02Å
169E96Very high94.3Very high69 Ų6941.9 Ų41.932%0.32222%0.221SC..EExtended strand (participates in β ladder)trans-77.8138.5172.4-65.8-175.616500110.7A129 A130 V163 D164 T167 F171A129-E169 HydrophobicContact CB-CG 4.19Å; A130-E169 HydrophobicContact CB-CG 4.18Å; V163-E169 WeakPolarHBondContact CA-O 3.48Å; D164-E169 HydrophobicContact CB-CB 4.5Å; D164-E169 PolarHBondContact N-O 3.08Å; T167-E169 PolarHBondContact O-N 3.26Å; T167-E169 PolarHBondContact OG1-N 2.99Å; E169-F171 HydrophobicContact CB-CE2 3.77Å; E169-F171 HydrophobicContact CB-CZ 4.25Å
170V97.1Very high94.1Very high0 Ų043.4 Ų43.40%023%0.228CC..EExtended strand (participates in β ladder)trans-103.8117.3177.51750000108.6C128 A130 A131 S132 R162 V163 V172 V211 E250 V252C128-V170 HydrophobicContact CB-CG2 4.4Å; C128-V170 WeakPolarHBondContact SG-CG2 3.44Å; A130-V170 PolarHBondContact O-N 3.37Å; A131-V170 CarbonylContact C-O 3.59Å; A131-V170 WeakPolarHBondContact CA-O 3.39Å; S132-V170 PolarHBondContact N-O 3.29Å; R162-V170 CarbonylContact O-C 3.41Å; R162-V170 WeakPolarHBondContact O-CA 3.21Å; V163-V170 HydrophobicContact CG1-CG2 4.35Å; V163-V170 HydrophobicContact CG2-CG2 4.18Å; V170-V172 HydrophobicContact CG1-CG2 4.23Å; V170-V211 HydrophobicContact CG1-CB 3.67Å; V170-V211 HydrophobicContact CG1-CG1 4.22Å; V170-V211 HydrophobicContact CG1-CG2 3.68Å; V170-E250 HydrophobicContact CG2-CB 3.86Å; V170-E250 WeakPolarHBondContact CG2-O 3.48Å; V170-V252 HydrophobicContact CB-CG2 4.02Å; V170-V252 HydrophobicContact CG1-CG2 4.07Å; V170-V252 HydrophobicContact CG2-CG2 4.02Å
171F96.4Very high93.9Very high51 Ų5147 Ų4722%0.22425%0.249CC..EExtended strand (participates in β ladder)trans-97.7117.2173.9-65-93.5000108.5S132 G161 R162 D164 E169S132-F171 CarbonylContact O-C 3.57Å; G161-F171 CarbonylContact C-O 3.6Å; G161-F171 WeakPolarHBondContact CA-O 3.5Å; R162-F171 PolarHBondContact N-O 2.8Å; R162-F171 PolarHBondContact O-N 2.92Å; D164-F171 HydrophobicContact CB-CE2 4.13Å; E169-F171 HydrophobicContact CB-CE2 3.77Å; E169-F171 HydrophobicContact CB-CZ 4.25Å
172V95.8Very high93.6Very high1 Ų148.1 Ų48.11%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-96.3103.2176178.30000107.9S132 F133 D134 L159 Y160 V170 V211 H331S132-V172 PolarHBondContact O-N 3.34Å; F133-V172 HydrophobicContact CD1-CB 3.84Å; F133-V172 HydrophobicContact CD1-CG1 3.91Å; F133-V172 HydrophobicContact CD1-CG2 4Å; F133-V172 HydrophobicContact CE1-CB 4.23Å; F133-V172 HydrophobicContact CE1-CG1 4.27Å; F133-V172 HydrophobicContact CE1-CG2 3.89Å; F133-V172 HydrophobicContact CG-CB 4.45Å; F133-V172 HydrophobicContact CZ-CG2 4.46Å; D134-V172 WeakPolarHBondContact CB-O 3.47Å; D134-V172 PolarHBondContact N-O 2.69Å; L159-V172 HydrophobicContact CB-CG1 3.96Å; L159-V172 HydrophobicContact CB-CG2 4.14Å; L159-V172 HydrophobicContact CD1-CG2 4.14Å; L159-V172 HydrophobicContact CD2-CG1 3.86Å; L159-V172 HydrophobicContact CG-CG1 4.36Å; Y160-V172 CarbonylContact O-C 3.59Å; V170-V172 HydrophobicContact CG1-CG2 4.23Å; V172-V211 HydrophobicContact CG2-CG2 4.09Å; V172-H331 PolarHBondContact O-CE1 2.63Å; V172-H331 VanDerWaalsContact O-CE1 3.24Å
173D93.2Very high93.3Very high8 Ų845.7 Ų45.74%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-86.2-29.4-176.2-63.9-56.8000111.5S137 Y160 G161 R162 M208 H331 V333S137-D173 PolarHBondContact OG-O 3.23Å; S137-D173 VanDerWaalsContact OG-O 3.08Å; Y160-D173 PolarHBondContact O-N 2.95Å; G161-D173 VanDerWaalsContact CA-OD2 3.32Å; G161-D173 WeakPolarHBondContact CA-OD2 3.5Å; R162-D173 IonicContact CZ-OD1 2.71Å; R162-D173 IonicContact CZ-OD2 3.27Å; R162-D173 IonicContact NE-OD1 3.71Å; R162-D173 IonicContact NE-OD2 2.87Å; R162-D173 PolarHBondContact NE-OD2 2.89Å; R162-D173 IonicContact NH2-OD1 3.49Å; R162-D173 PolarHBondContact NH2-OD1 3.47Å; R162-D173 IonicContact NH2-OD2 2.78Å; R162-D173 PolarHBondContact NH2-OD2 2.56Å; D173-M208 HydrophobicContact CB-SD 3.51Å; D173-M208 VanDerWaalsContact CB-SD 3.51Å; D173-H331 IonicContact OD1-NE2 3.55Å; D173-H331 PolarHBondContact OD1-NE2 2.97Å; D173-V333 HydrophobicContact CB-CG2 4.16Å; D173-V333 WeakPolarHBondContact OD1-CG2 3.33Å
174F92.9Very high92.8Very high11 Ų1148.9 Ų48.95%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-155.5164.1172.971.8-87.4000113.7Y160 V199 A203 M208 L341Y160-F174 HydrophobicContact CD1-CE1 4.47Å; Y160-F174 AromaticContact CD1-CZ 3.89Å; Y160-F174 HydrophobicContact CD1-CZ 3.89Å; Y160-F174 HydrophobicContact CD2-CD2 4.38Å; Y160-F174 AromaticContact CD2-CE2 3.62Å; Y160-F174 HydrophobicContact CD2-CE2 3.62Å; Y160-F174 AromaticContact CD2-CZ 3.82Å; Y160-F174 HydrophobicContact CD2-CZ 3.82Å; Y160-F174 HydrophobicContact CE2-CE2 4.44Å; Y160-F174 HydrophobicContact CG-CD2 4.49Å; Y160-F174 AromaticContact CG-CE1 3.95Å; Y160-F174 HydrophobicContact CG-CE1 3.95Å; Y160-F174 AromaticContact CG-CE2 3.68Å; Y160-F174 HydrophobicContact CG-CE2 3.68Å; Y160-F174 AromaticContact CG-CZ 3.36Å; Y160-F174 HydrophobicContact CG-CZ 3.36Å; Y160-F174 PolarHBondContact N-O 3.1Å; Y160-F174 PolarHBondContact O-N 3.19Å; Y160-F174 VanDerWaalsContact O-N 3.09Å; F174-V199 HydrophobicContact CE2-CG1 4.4Å; F174-A203 HydrophobicContact CE1-CB 4.43Å; F174-A203 HydrophobicContact CZ-CB 4.19Å; F174-M208 HydrophobicContact CD1-CE 3.88Å; F174-M208 HydrophobicContact CD1-SD 3.81Å; F174-M208 HydrophobicContact CE1-CE 3.53Å; F174-M208 HydrophobicContact CE1-SD 3.74Å; F174-L341 HydrophobicContact CB-CD2 3.98Å; F174-L341 HydrophobicContact CD1-CD2 4.19Å; F174-L341 HydrophobicContact CG-CD2 4.03Å
175I93.3Very high92.4Very high25 Ų2548.3 Ų48.313%0.12827%0.269CS..EExtended strand (participates in β ladder)trans-114.2123.5176.6-57.3171.1000108.6F141 L159 E177 V214F141-I175 HydrophobicContact CB-CD1 3.69Å; F141-I175 HydrophobicContact CD1-CD1 4.44Å; F141-I175 HydrophobicContact CD2-CD1 4.43Å; F141-I175 HydrophobicContact CD2-CG2 3.97Å; F141-I175 HydrophobicContact CE2-CG2 4.31Å; F141-I175 HydrophobicContact CG-CD1 3.95Å; L159-I175 HydrophobicContact CD2-CD1 4.33Å; L159-I175 HydrophobicContact CD2-CG1 3.78Å; I175-E177 HydrophobicContact CG2-CG 4.43Å; I175-V214 HydrophobicContact CD1-CG1 4.37Å; I175-V214 HydrophobicContact CG2-CG1 3.76Å
176Y93.3Very high92.2Very high3 Ų347.1 Ų47.11%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-100.8120.1171.5163.7-117.9000109.8G157 F158 Y160 P178 E195 E196 V199 M345 F349G157-Y176 CarbonylContact C-O 3.56Å; G157-Y176 WeakPolarHBondContact CA-O 3.28Å; F158-Y176 HydrophobicContact CB-CD1 4.33Å; F158-Y176 AromaticContact CD2-CD1 3.95Å; F158-Y176 HydrophobicContact CD2-CD1 3.95Å; F158-Y176 HydrophobicContact CD2-CE1 4.17Å; F158-Y176 PolarHBondContact N-O 3.45Å; F158-Y176 PolarHBondContact O-N 3.16Å; Y160-Y176 HydrophobicContact CE2-CD1 4.11Å; Y160-Y176 HydrophobicContact CE2-CG 4.4Å; Y176-P178 HydrophobicContact CE1-CB 3.91Å; Y176-P178 WeakPolarHBondContact O-CD 3.35Å; Y176-E195 WeakPolarHBondContact OH-CG 3.45Å; Y176-E195 PolarHBondContact OH-OE1 2.79Å; Y176-E196 HydrophobicContact CE1-CG 4.48Å; Y176-V199 HydrophobicContact CD1-CB 4.48Å; Y176-V199 HydrophobicContact CD1-CG1 4.05Å; Y176-V199 HydrophobicContact CD1-CG2 4.31Å; Y176-V199 HydrophobicContact CD2-CG1 4.42Å; Y176-V199 HydrophobicContact CD2-CG2 4.05Å; Y176-V199 HydrophobicContact CE1-CG2 4.12Å; Y176-V199 HydrophobicContact CE2-CG2 3.84Å; Y176-V199 HydrophobicContact CG-CG1 3.95Å; Y176-V199 HydrophobicContact CG-CG2 4.28Å; Y176-M345 HydrophobicContact CD2-CE 3.49Å; Y176-M345 VanDerWaalsContact CD2-CE 3.49Å; Y176-M345 HydrophobicContact CE2-CE 4.41Å; Y176-M345 HydrophobicContact CG-CE 4.18Å; Y176-F349 HydrophobicContact CD2-CZ 4.49Å; Y176-F349 HydrophobicContact CE2-CE1 4.48Å; Y176-F349 HydrophobicContact CE2-CE2 4.34Å; Y176-F349 AromaticContact CE2-CZ 3.75Å; Y176-F349 HydrophobicContact CE2-CZ 3.75Å
177E91.7Very high92.2Very high58 Ų5839.8 Ų39.827%0.27122%0.216SC..  trans-95.8100177.9-64.7177.3-136.200110.2F141 H144 R155 I175F141-E177 HydrophobicContact CD2-CG 4.1Å; F141-E177 HydrophobicContact CE2-CG 4Å; H144-E177 IonicContact CD2-OE1 3.65Å; H144-E177 IonicContact CD2-OE2 3.98Å; H144-E177 PolarHBondContact CD2-OE2 3.24Å; H144-E177 IonicContact NE2-OE2 3.72Å; R155-E177 IonicContact CZ-OE2 3.1Å; R155-E177 IonicContact NE-OE2 2.69Å; R155-E177 PolarHBondContact NE-OE2 3.45Å; R155-E177 IonicContact NH2-OE2 3.63Å; R155-E177 PolarHBondContact NH2-OE2 3.14Å; I175-E177 HydrophobicContact CG2-CG 4.43Å
178P91.1Very high92.1Very high3 Ų342.8 Ų42.82%0.01923%0.225CC..  trans-66.9163.4177.531.9-38.1000110.9F158 Y176 Q180 L189F158-P178 HydrophobicContact CD2-CG 4.16Å; F158-P178 HydrophobicContact CE2-CB 4.49Å; F158-P178 HydrophobicContact CE2-CG 4.03Å; Y176-P178 HydrophobicContact CE1-CB 3.91Å; Y176-P178 WeakPolarHBondContact O-CD 3.35Å; P178-Q180 WeakPolarHBondContact O-CG 3.09Å; P178-Q180 PolarHBondContact O-N 2.88Å; P178-Q180 PolarHBondContact O-NE2 3.28Å; P178-L189 HydrophobicContact CG-CD2 3.86Å
179P89.6Confident92Very high55 Ų5540 Ų4036%0.35721%0.213SC..SBendtrans-50.2132.7167-26.435.5000110.5M190P179-M190 HydrophobicContact CB-CB 4.08Å; P179-M190 WeakPolarHBondContact O-CA 3.27Å; P179-M190 WeakPolarHBondContact O-CB 3.24Å; P179-M190 PolarHBondContact O-N 3.08Å
180Q93Very high91.8Very high31 Ų3142 Ų4215%0.14523%0.225CC..EExtended strand (participates in β ladder)trans-157.6156-169.762.7-169.3-76.200112.6R155 A156 P178 V187 Q188 L189R155-Q180 VanDerWaalsContact CG-OE1 3.25Å; A156-Q180 PolarHBondContact O-NE2 2.79Å; A156-Q180 PolarHBondContact O-OE1 3.37Å; P178-Q180 WeakPolarHBondContact O-CG 3.09Å; P178-Q180 PolarHBondContact O-N 2.88Å; P178-Q180 PolarHBondContact O-NE2 3.28Å; Q180-V187 HydrophobicContact CB-CG2 4.22Å; Q180-V187 VanDerWaalsContact OE1-CG2 3.25Å; Q180-Q188 CarbonylContact C-O 3.57Å; Q180-Q188 VanDerWaalsContact CA-O 3.24Å; Q180-Q188 WeakPolarHBondContact CA-O 3.27Å; Q180-L189 HydrophobicContact CB-CD2 4.32Å
181V91.5Very high91.4Very high75 Ų7546.9 Ų46.946%0.45524%0.243SC..EExtended strand (participates in β ladder)trans-121.2116.7171.6-179.80000108.4Q188 M190V181-Q188 PolarHBondContact N-O 2.99Å; V181-Q188 PolarHBondContact O-N 2.88Å; V181-M190 HydrophobicContact CG2-CG 4.33Å; V181-M190 HydrophobicContact CG2-SD 3.72Å
182G89.4Confident91.1Very high24 Ų2447.5 Ų47.525%0.24725%0.249CC..EExtended strand (participates in β ladder)trans-100.6144.4177.800000112.6K154K154-G182 VanDerWaalsContact O-CA 3.28Å; K154-G182 WeakPolarHBondContact O-CA 3.27Å
183T89Confident90.9Very high70 Ų7051 Ų5143%0.42928%0.278SS..  trans-124.1-178.8161.670.40000108.8K154 D185 V186K154-T183 WeakPolarHBondContact CB-O 2.85Å; K154-T183 WeakPolarHBondContact CG-O 3.33Å; K154-T183 PolarHBondContact N-O 2.98Å; T183-D185 PolarHBondContact O-N 3.13Å; T183-D185 PolarHBondContact OG1-N 3.42Å; T183-V186 PolarHBondContact N-O 2.85Å; T183-V186 PolarHBondContact OG1-N 2.8Å; T183-V186 VanDerWaalsContact OG1-N 3.09Å; T183-V186 PolarHBondContact OG1-O 2.84Å
184E86.5Confident90.9Very high103 Ų10357.1 Ų57.148%0.48131%0.306SS..SBendtrans-61-27.6173.9-67.7168.6-165.800112.6A152 K154 A218A152-E184 VanDerWaalsContact O-CG 3.31Å; A152-E184 WeakPolarHBondContact O-CG 3.35Å; K154-E184 WeakPolarHBondContact CE-O 3.08Å; E184-A218 HydrophobicContact CB-CB 4.31Å; E184-A218 WeakPolarHBondContact O-CB 3.23Å
185D85.4Confident90.7Very high47 Ų4757.5 Ų57.525%0.25131%0.308SS..SBendtrans-108-29.2-172.4-73.5-34.1000114.4K154 T183 K222K154-D185 WeakPolarHBondContact CE-O 3.45Å; K154-D185 PolarHBondContact NZ-O 2.95Å; T183-D185 PolarHBondContact O-N 3.13Å; T183-D185 PolarHBondContact OG1-N 3.42Å; D185-K222 VanDerWaalsContact OD1-CB 3.27Å; D185-K222 WeakPolarHBondContact OD1-CB 3.27Å; D185-K222 PolarHBondContact OD1-N 3.12Å
186V88.9Confident90.6Very high49 Ų4956.9 Ų56.930%0.29730%0.304SS..  trans-139.2144.2-169.9-175.90000110.4T183T183-V186 PolarHBondContact N-O 2.85Å; T183-V186 PolarHBondContact OG1-N 2.8Å; T183-V186 VanDerWaalsContact OG1-N 3.09Å; T183-V186 PolarHBondContact OG1-O 2.84Å
187V92.1Very high90.5Very high3 Ų359.3 Ų59.32%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-115.2117.8163.657.70000109.3K154 A156 Q180 L189 F215 Q238K154-V187 HydrophobicContact CB-CB 3.96Å; K154-V187 HydrophobicContact CB-CG1 4.44Å; A156-V187 HydrophobicContact CB-CB 4.39Å; A156-V187 HydrophobicContact CB-CG1 3.65Å; A156-V187 HydrophobicContact CB-CG2 3.9Å; Q180-V187 HydrophobicContact CB-CG2 4.22Å; Q180-V187 VanDerWaalsContact OE1-CG2 3.25Å; V187-L189 HydrophobicContact CG2-CD2 4.34Å; V187-F215 HydrophobicContact CG1-CB 4.42Å; V187-Q238 PolarHBondContact O-NE2 3.24Å
188Q93Very high90.6Very high129 Ų12961.6 Ų61.660%0.60333%0.331SS*.EExtended strand (participates in β ladder)trans-95.9112.4176-174.3175.810.700109.3Q180 V181 M190Q180-Q188 CarbonylContact C-O 3.57Å; Q180-Q188 VanDerWaalsContact CA-O 3.24Å; Q180-Q188 WeakPolarHBondContact CA-O 3.27Å; V181-Q188 PolarHBondContact N-O 2.99Å; V181-Q188 PolarHBondContact O-N 2.88Å; Q188-M190 PolarHBondContact O-N 3.08Å
189L92.6Very high90.7Very high24 Ų2462 Ų6213%0.12633%0.334CS..EExtended strand (participates in β ladder)trans-74.6117.2174-52.7178.5000109.2A156 F158 P178 Q180 V187 R191 L242A156-L189 HydrophobicContact CB-CD2 3.78Å; F158-L189 HydrophobicContact CE1-CD1 4.36Å; F158-L189 HydrophobicContact CE2-CD1 4.47Å; F158-L189 HydrophobicContact CZ-CD1 3.88Å; P178-L189 HydrophobicContact CG-CD2 3.86Å; Q180-L189 HydrophobicContact CB-CD2 4.32Å; V187-L189 HydrophobicContact CG2-CD2 4.34Å; L189-R191 HydrophobicContact CB-CG 3.84Å; L189-R191 PolarHBondContact O-N 3.33Å; L189-L242 HydrophobicContact CD1-CD1 4.03Å
190M91.3Very high90.9Very high113 Ų11362 Ų6256%0.55733%0.331SS*.  trans-83.169.8173-60-175.369.800109.2P179 V181 Q188 D192P179-M190 HydrophobicContact CB-CB 4.08Å; P179-M190 WeakPolarHBondContact O-CA 3.27Å; P179-M190 WeakPolarHBondContact O-CB 3.24Å; P179-M190 PolarHBondContact O-N 3.08Å; V181-M190 HydrophobicContact CG2-CG 4.33Å; V181-M190 HydrophobicContact CG2-SD 3.72Å; Q188-M190 PolarHBondContact O-N 3.08Å; M190-D192 PolarHBondContact O-N 2.66Å
191R90.3Very high91Very high101 Ų10163.7 Ų63.738%0.38135%0.35SS..  trans-62.6120.9-171.4-62-17465.3-171.7-0.5112.6L189 E196 E245L189-R191 HydrophobicContact CB-CG 3.84Å; L189-R191 PolarHBondContact O-N 3.33Å; R191-E196 VanDerWaalsContact CB-OE1 3.31Å; R191-E196 WeakPolarHBondContact CB-OE1 3.47Å; R191-E196 VanDerWaalsContact CG-OE1 3.3Å; R191-E196 WeakPolarHBondContact CG-OE1 3.46Å; R191-E196 IonicContact CZ-OE1 3.84Å; R191-E196 IonicContact CZ-OE2 2.86Å; R191-E196 IonicContact NE-OE1 3.73Å; R191-E196 PolarHBondContact NE-OE1 3.15Å; R191-E196 IonicContact NE-OE2 3.58Å; R191-E196 PolarHBondContact NE-OE2 3.29Å; R191-E196 IonicContact NH2-OE1 2.88Å; R191-E196 IonicContact NH2-OE2 3.7Å; R191-E196 PolarHBondContact NH2-OE2 2.86Å; R191-E245 IonicContact CZ-OE1 2.64Å; R191-E245 IonicContact CZ-OE2 3.17Å; R191-E245 IonicContact NH1-OE1 2.79Å; R191-E245 PolarHBondContact NH1-OE1 2.89Å; R191-E245 IonicContact NH1-OE2 2.63Å; R191-E245 PolarHBondContact NH1-OE2 3.48Å; R191-E245 IonicContact NH2-OE1 3.38Å; R191-E245 PolarHBondContact NH2-OE1 3.2Å; R191-E245 IonicContact NH2-OE2 2.82Å; R191-E245 PolarHBondContact NH2-OE2 2.64Å
192D90.3Very high91.1Very high65 Ų6563.4 Ų63.435%0.34835%0.345SS..  trans-103.3112.4167.1-178.5-23.3000109.4M190 Q194 E195 E196M190-D192 PolarHBondContact O-N 2.66Å; D192-Q194 VanDerWaalsContact C-N 3.26Å; D192-Q194 PolarHBondContact O-N 3.06Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.36Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.2Å; D192-Q194 PolarHBondContact OD1-N 2.81Å; D192-E195 HydrophobicContact CB-CB 3.7Å; D192-E195 PolarHBondContact O-N 3.4Å; D192-E195 PolarHBondContact OD1-N 3.42Å; D192-E196 WeakPolarHBondContact O-CB 3.44Å; D192-E196 WeakPolarHBondContact O-CG 3.37Å; D192-E196 PolarHBondContact O-N 2.71Å
193A91.1Very high91.3Very high75 Ų7562.3 Ų62.362%0.6233%0.334SS*.Hα-helixtrans-63.8-28.1-17800000113.7A197A193-A197 VanDerWaalsContact O-CB 3.22Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.21Å
194Q91.9Very high91.5Very high136 Ų13666.1 Ų66.164%0.63635%0.346SS*.Hα-helixtrans-76.9-39.3176-62.3-172.5-12.700111D192 R198D192-Q194 VanDerWaalsContact C-N 3.26Å; D192-Q194 PolarHBondContact O-N 3.06Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.36Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.2Å; D192-Q194 PolarHBondContact OD1-N 2.81Å; Q194-R198 WeakPolarHBondContact O-CG 3.35Å; Q194-R198 PolarHBondContact O-N 3.28Å; Q194-R198 VanDerWaalsContact O-N 3.08Å; Q194-R198 PolarHBondContact O-NH1 2.94Å
195E89.3Confident91.8Very high18 Ų1864.5 Ų64.58%0.08436%0.357CS..Hα-helixtrans-64.5-51.3176.1-164.6-178.3164.900111.2Y176 D192 A197 R198 V199 F349Y176-E195 WeakPolarHBondContact OH-CG 3.45Å; Y176-E195 PolarHBondContact OH-OE1 2.79Å; D192-E195 HydrophobicContact CB-CB 3.7Å; D192-E195 PolarHBondContact O-N 3.4Å; D192-E195 PolarHBondContact OD1-N 3.42Å; E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 2.71Å; E195-R198 WeakPolarHBondContact O-CB 3.47Å; E195-R198 PolarHBondContact O-N 2.94Å; E195-V199 WeakPolarHBondContact O-CG2 3.35Å; E195-V199 PolarHBondContact O-N 2.68Å; E195-F349 HydrophobicContact CG-CE1 3.72Å; E195-F349 HydrophobicContact CG-CZ 4.45Å; E195-F349 WeakPolarHBondContact OE1-CD1 3.47Å; E195-F349 WeakPolarHBondContact OE1-CE1 3.4Å
196E91.1Very high92.1Very high12 Ų1267 Ų676%0.05637%0.37CS..Hα-helixtrans-57.4-42175.8-72.6-176.9-162.800111.4Y176 R191 D192 R198 V199 D200 R210Y176-E196 HydrophobicContact CE1-CG 4.48Å; R191-E196 VanDerWaalsContact CB-OE1 3.31Å; R191-E196 WeakPolarHBondContact CB-OE1 3.47Å; R191-E196 VanDerWaalsContact CG-OE1 3.3Å; R191-E196 WeakPolarHBondContact CG-OE1 3.46Å; R191-E196 IonicContact CZ-OE1 3.84Å; R191-E196 IonicContact CZ-OE2 2.86Å; R191-E196 IonicContact NE-OE1 3.73Å; R191-E196 PolarHBondContact NE-OE1 3.15Å; R191-E196 IonicContact NE-OE2 3.58Å; R191-E196 PolarHBondContact NE-OE2 3.29Å; R191-E196 IonicContact NH2-OE1 2.88Å; R191-E196 IonicContact NH2-OE2 3.7Å; R191-E196 PolarHBondContact NH2-OE2 2.86Å; D192-E196 WeakPolarHBondContact O-CB 3.44Å; D192-E196 WeakPolarHBondContact O-CG 3.37Å; D192-E196 PolarHBondContact O-N 2.71Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 3.19Å; E196-V199 PolarHBondContact O-N 3.16Å; E196-D200 WeakPolarHBondContact O-CB 3.31Å; E196-D200 PolarHBondContact O-N 3.31Å; E196-R210 IonicContact OE2-NH1 3.63Å
197A92.6Very high92.3Very high55 Ų5567.3 Ų67.346%0.45538%0.383SS..Hα-helixtrans-64-33.6176.400000113.2A193 E195 A201A193-A197 VanDerWaalsContact O-CB 3.22Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.21Å; E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 2.71Å; A197-A201 VanDerWaalsContact O-CB 3.27Å; A197-A201 WeakPolarHBondContact O-CB 3.43Å; A197-A201 PolarHBondContact O-N 3.34Å
198R93.2Very high92.4Very high105 Ų10568 Ų6840%0.39639%0.386SS..Hα-helixtrans-68.8-45174-74.5-174.3-65-90.94111.1Q194 E195 E196 A201 I202Q194-R198 WeakPolarHBondContact O-CG 3.35Å; Q194-R198 PolarHBondContact O-N 3.28Å; Q194-R198 VanDerWaalsContact O-N 3.08Å; Q194-R198 PolarHBondContact O-NH1 2.94Å; E195-R198 WeakPolarHBondContact O-CB 3.47Å; E195-R198 PolarHBondContact O-N 2.94Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 3.19Å; R198-A201 PolarHBondContact O-N 3.42Å; R198-I202 WeakPolarHBondContact O-CG1 3.44Å; R198-I202 PolarHBondContact O-N 2.88Å
199V93Very high92.5Very high12 Ų1267.5 Ų67.57%0.07338%0.379CS..Hα-helixtrans-62.5-46176.9179.70000110.5Y160 F174 Y176 E195 E196 A201 I202 A203Y160-V199 HydrophobicContact CD2-CG1 4.43Å; Y160-V199 HydrophobicContact CE1-CG1 4.19Å; Y160-V199 HydrophobicContact CE2-CG1 3.76Å; F174-V199 HydrophobicContact CE2-CG1 4.4Å; Y176-V199 HydrophobicContact CD1-CB 4.48Å; Y176-V199 HydrophobicContact CD1-CG1 4.05Å; Y176-V199 HydrophobicContact CD1-CG2 4.31Å; Y176-V199 HydrophobicContact CD2-CG1 4.42Å; Y176-V199 HydrophobicContact CD2-CG2 4.05Å; Y176-V199 HydrophobicContact CE1-CG2 4.12Å; Y176-V199 HydrophobicContact CE2-CG2 3.84Å; Y176-V199 HydrophobicContact CG-CG1 3.95Å; Y176-V199 HydrophobicContact CG-CG2 4.28Å; E195-V199 WeakPolarHBondContact O-CG2 3.35Å; E195-V199 PolarHBondContact O-N 2.68Å; E196-V199 PolarHBondContact O-N 3.16Å; V199-A201 VanDerWaalsContact C-N 3.32Å; V199-A201 PolarHBondContact O-N 3.05Å; V199-I202 PolarHBondContact O-N 3Å; V199-A203 WeakPolarHBondContact O-CB 3.26Å; V199-A203 PolarHBondContact O-N 2.64Å
200D93.9Very high92.7Very high56 Ų5667.8 Ų67.830%0.29938%0.378SS..Hα-helixtrans-59-41.7175.5-77.4-17.1000112Y160 E196 A203 H204Y160-D200 WeakPolarHBondContact CE1-OD1 3.25Å; Y160-D200 VanDerWaalsContact CZ-OD1 3.27Å; Y160-D200 PolarHBondContact OH-OD1 2.85Å; E196-D200 WeakPolarHBondContact O-CB 3.31Å; E196-D200 PolarHBondContact O-N 3.31Å; D200-A203 PolarHBondContact O-N 3.44Å; D200-H204 VanDerWaalsContact O-CB 3.24Å; D200-H204 WeakPolarHBondContact O-CB 3.48Å; D200-H204 PolarHBondContact O-N 2.86Å
201A94.1Very high93Very high65 Ų6562.4 Ų62.454%0.53735%0.352SS..Hα-helixtrans-66.1-41.517800000112.4A197 R198 V199 H204 G205A197-A201 VanDerWaalsContact O-CB 3.27Å; A197-A201 WeakPolarHBondContact O-CB 3.43Å; A197-A201 PolarHBondContact O-N 3.34Å; R198-A201 PolarHBondContact O-N 3.42Å; V199-A201 VanDerWaalsContact C-N 3.32Å; V199-A201 PolarHBondContact O-N 3.05Å; A201-H204 PolarHBondContact O-N 3.49Å; A201-G205 PolarHBondContact O-N 3.5Å
202I93.7Very high93.3Very high70 Ų7057.6 Ų57.636%0.35933%0.334SS..Hα-helixtrans-64.5-48.4175.6-67.3165.3000109.9R198 V199 H204 G205 L206R198-I202 WeakPolarHBondContact O-CG1 3.44Å; R198-I202 PolarHBondContact O-N 2.88Å; V199-I202 PolarHBondContact O-N 3Å; I202-H204 VanDerWaalsContact C-N 3.33Å; I202-H204 PolarHBondContact O-N 3.25Å; I202-G205 PolarHBondContact O-N 2.84Å; I202-L206 HydrophobicContact CG2-CD1 4.16Å; I202-L206 WeakPolarHBondContact O-CG 3.45Å; I202-L206 PolarHBondContact O-N 3.48Å; I202-L206 VanDerWaalsContact O-N 3.12Å
203A93.9Very high93.6Very high0 Ų054.5 Ų54.50%032%0.317CS..Hα-helixtrans-57.6-47.2177.500000111Y160 F174 V199 D200 G205 L206 G207 M208Y160-A203 HydrophobicContact CD1-CB 3.42Å; Y160-A203 VanDerWaalsContact CD1-CB 3.42Å; Y160-A203 HydrophobicContact CE1-CB 3.77Å; Y160-A203 HydrophobicContact CG-CB 4.4Å; F174-A203 HydrophobicContact CE1-CB 4.43Å; F174-A203 HydrophobicContact CZ-CB 4.19Å; V199-A203 WeakPolarHBondContact O-CB 3.26Å; V199-A203 PolarHBondContact O-N 2.64Å; D200-A203 PolarHBondContact O-N 3.44Å; A203-G205 VanDerWaalsContact C-N 3.32Å; A203-G205 PolarHBondContact O-N 2.8Å; A203-L206 CarbonylContact O-C 3.43Å; A203-L206 WeakPolarHBondContact O-CA 3.23Å; A203-L206 PolarHBondContact O-N 3.33Å; A203-G207 PolarHBondContact O-N 2.84Å; A203-M208 CarbonylContact C-O 3.4Å; A203-M208 HydrophobicContact CB-CB 4.13Å; A203-M208 CarbonylContact O-C 3.58Å; A203-M208 WeakPolarHBondContact O-CA 3.17Å; A203-M208 WeakPolarHBondContact O-CB 3.25Å; A203-M208 PolarHBondContact O-N 3.49Å
204H93.5Very high93.8Very high151 Ų15150.9 Ų50.970%0.69929%0.287SS*.Hα-helixtrans-60.2-41.3177.4-170.370.6000112.3D200 A201 I202 L206 G207 M208D200-H204 VanDerWaalsContact O-CB 3.24Å; D200-H204 WeakPolarHBondContact O-CB 3.48Å; D200-H204 PolarHBondContact O-N 2.86Å; A201-H204 PolarHBondContact O-N 3.49Å; I202-H204 VanDerWaalsContact C-N 3.33Å; I202-H204 PolarHBondContact O-N 3.25Å; H204-L206 PolarHBondContact O-N 3.46Å; H204-G207 PolarHBondContact O-N 3.46Å; H204-M208 VanDerWaalsContact CA-O 3.31Å; H204-M208 WeakPolarHBondContact CA-O 3.33Å; H204-M208 PolarHBondContact N-O 3.35Å
205G92.7Very high93.9Very high69 Ų6944.5 Ų44.571%0.71126%0.257SS*.Hα-helixtrans-61.9-24.4174.500000114A201 I202 A203A201-G205 PolarHBondContact O-N 3.5Å; I202-G205 PolarHBondContact O-N 2.84Å; A203-G205 VanDerWaalsContact C-N 3.32Å; A203-G205 PolarHBondContact O-N 2.8Å
206L91.8Very high94Very high100 Ų10043.6 Ų43.652%0.52425%0.253SS..THydrogen-bonded Turntrans-94.78.5174.8-62.2171.8000113I202 A203 H204 M208 L341I202-L206 HydrophobicContact CG2-CD1 4.16Å; I202-L206 WeakPolarHBondContact O-CG 3.45Å; I202-L206 PolarHBondContact O-N 3.48Å; I202-L206 VanDerWaalsContact O-N 3.12Å; A203-L206 CarbonylContact O-C 3.43Å; A203-L206 WeakPolarHBondContact O-CA 3.23Å; A203-L206 PolarHBondContact O-N 3.33Å; H204-L206 PolarHBondContact O-N 3.46Å; L206-M208 VanDerWaalsContact C-N 3.27Å; L206-M208 HydrophobicContact CB-CE 3.4Å; L206-M208 VanDerWaalsContact CB-CE 3.4Å; L206-M208 HydrophobicContact CD1-CE 3.43Å; L206-M208 VanDerWaalsContact CD1-CE 3.43Å; L206-M208 HydrophobicContact CG-CE 4.06Å; L206-M208 PolarHBondContact O-N 2.97Å; L206-L341 HydrophobicContact CD1-CD1 4.37Å
207G92.7Very high93.8Very high55 Ų5543.9 Ų43.957%0.56726%0.255SS*.THydrogen-bonded Turntrans73.418.3-177.700000114R162 A203 H204R162-G207 WeakPolarHBondContact CG-O 3.48Å; A203-G207 PolarHBondContact O-N 2.84Å; H204-G207 PolarHBondContact O-N 3.46Å
208M94.4Very high93.1Very high16 Ų1641.5 Ų41.58%0.07924%0.235CC..  trans-108.3166.1179-61.7-176.2-82.200111.4G161 R162 D173 F174 A203 H204 L206G161-M208 CarbonylContact O-C 3.6Å; G161-M208 VanDerWaalsContact O-CA 3.25Å; G161-M208 WeakPolarHBondContact O-CA 3.2Å; R162-M208 HydrophobicContact CG-CG 4.37Å; D173-M208 HydrophobicContact CB-SD 3.51Å; D173-M208 VanDerWaalsContact CB-SD 3.51Å; F174-M208 HydrophobicContact CD1-CE 3.88Å; F174-M208 HydrophobicContact CD1-SD 3.81Å; F174-M208 HydrophobicContact CE1-CE 3.53Å; F174-M208 HydrophobicContact CE1-SD 3.74Å; A203-M208 CarbonylContact C-O 3.4Å; A203-M208 HydrophobicContact CB-CB 4.13Å; A203-M208 CarbonylContact O-C 3.58Å; A203-M208 WeakPolarHBondContact O-CA 3.17Å; A203-M208 WeakPolarHBondContact O-CB 3.25Å; A203-M208 PolarHBondContact O-N 3.49Å; H204-M208 VanDerWaalsContact CA-O 3.31Å; H204-M208 WeakPolarHBondContact CA-O 3.33Å; H204-M208 PolarHBondContact N-O 3.35Å; L206-M208 VanDerWaalsContact C-N 3.27Å; L206-M208 HydrophobicContact CB-CE 3.4Å; L206-M208 VanDerWaalsContact CB-CE 3.4Å; L206-M208 HydrophobicContact CD1-CE 3.43Å; L206-M208 VanDerWaalsContact CD1-CE 3.43Å; L206-M208 HydrophobicContact CG-CE 4.06Å; L206-M208 PolarHBondContact O-N 2.97Å
209R95.3Very high92.1Very high119 Ų11940.7 Ų40.745%0.44924%0.242SC..EExtended strand (participates in β ladder)trans-146.4165.2174.565.2-178.4-62.9167.68.5110Y160 G161 V211Y160-R209 WeakPolarHBondContact CA-O 3.5Å; G161-R209 PolarHBondContact N-O 3.14Å; G161-R209 PolarHBondContact O-N 2.94Å; R209-V211 HydrophobicContact CG-CG1 3.79Å; R209-V211 PolarHBondContact O-N 3.02Å
210R96.4Very high90.9Very high30 Ų3042.6 Ų42.611%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-65121.8166.5-168.117162.6176.22.1109.5F158 L159 Y160 E196 E245 W251F158-R210 HydrophobicContact CB-CG 4.33Å; F158-R210 HydrophobicContact CD1-CG 4.43Å; L159-R210 CarbonylContact O-C 3.47Å; L159-R210 WeakPolarHBondContact O-CA 3.29Å; Y160-R210 HydrophobicContact CD1-CB 4.25Å; Y160-R210 HydrophobicContact CE1-CB 3.81Å; E196-R210 IonicContact OE2-NH1 3.63Å; R210-E245 IonicContact CZ-OE1 3.31Å; R210-E245 IonicContact NH1-OE1 3.55Å; R210-E245 PolarHBondContact NH1-OE1 3.21Å; R210-E245 IonicContact NH2-OE1 3.33Å; R210-E245 PolarHBondContact NH2-OE1 2.5Å; R210-W251 HydrophobicContact CG-CH2 3.96Å; R210-W251 HydrophobicContact CG-CZ3 4Å
211V97.4Very high90.1Very high0 Ų042.2 Ų42.20%026%0.258CS..EExtended strand (participates in β ladder)trans-118.1-9.5-175.8-66.30000113.6L159 V163 V170 V172 R209 I248 V252L159-V211 HydrophobicContact CB-CG2 4Å; L159-V211 WeakPolarHBondContact O-CG2 3.41Å; L159-V211 PolarHBondContact O-N 3.03Å; V163-V211 HydrophobicContact CG2-CG1 3.82Å; V170-V211 HydrophobicContact CG1-CB 3.67Å; V170-V211 HydrophobicContact CG1-CG1 4.22Å; V170-V211 HydrophobicContact CG1-CG2 3.68Å; V172-V211 HydrophobicContact CG2-CG2 4.09Å; R209-V211 HydrophobicContact CG-CG1 3.79Å; R209-V211 PolarHBondContact O-N 3.02Å; V211-I248 HydrophobicContact CB-CD1 4.2Å; V211-I248 HydrophobicContact CG1-CD1 4.36Å; V211-V252 PolarHBondContact O-N 3.14Å; V211-V252 VanDerWaalsContact O-N 3.11Å
212G97.5Very high89.3Confident0 Ų042 Ų420%025%0.245CC..EExtended strand (participates in β ladder)trans-179.2-172-176.800000115.9L159 W251 V252L159-G212 PolarHBondContact N-O 2.87Å; L159-G212 PolarHBondContact O-N 3Å; G212-W251 VanDerWaalsContact C-CZ2 3.4Å; G212-V252 CarbonylContact C-O 3.22Å; G212-V252 WeakPolarHBondContact CA-O 3.3Å
213L96.7Very high88.6Confident0 Ų044.1 Ų44.10%026%0.261CS..EExtended strand (participates in β ladder)trans-126.1141.4173.8173.670.7000108.3A156 G157 F215 Q238 L242 W251 V252 T253 A254A156-L213 HydrophobicContact CB-CD1 4.28Å; G157-L213 CarbonylContact O-C 3.39Å; G157-L213 WeakPolarHBondContact O-CA 3.19Å; L213-F215 HydrophobicContact CD2-CD1 3.91Å; L213-F215 HydrophobicContact CD2-CE1 4.33Å; L213-F215 HydrophobicContact CG-CD1 4.24Å; L213-Q238 HydrophobicContact CD2-CG 4.47Å; L213-L242 HydrophobicContact CB-CD1 4.45Å; L213-L242 HydrophobicContact CD1-CD1 3.76Å; L213-L242 HydrophobicContact CD2-CD1 3.58Å; L213-L242 HydrophobicContact CG-CD1 4.12Å; L213-W251 HydrophobicContact CB-CZ2 4.18Å; L213-V252 PolarHBondContact N-O 3.28Å; L213-T253 CarbonylContact O-C 3.39Å; L213-T253 VanDerWaalsContact O-CA 3.29Å; L213-T253 WeakPolarHBondContact O-CA 2.77Å; L213-A254 PolarHBondContact O-N 3.3Å
214V95.6Very high88Confident0 Ų044.9 Ų44.90%027%0.267CS..EExtended strand (participates in β ladder)trans-117.8142.916359.60000109.2F141 A156 G157 L159 I175 A254 V256F141-V214 HydrophobicContact CD1-CG2 4.41Å; F141-V214 HydrophobicContact CE1-CG1 4.25Å; F141-V214 HydrophobicContact CE1-CG2 3.82Å; F141-V214 HydrophobicContact CE2-CG1 4.34Å; F141-V214 HydrophobicContact CZ-CG1 4.04Å; F141-V214 HydrophobicContact CZ-CG2 4.29Å; A156-V214 CarbonylContact C-O 3.55Å; A156-V214 WeakPolarHBondContact CA-O 3.42Å; A156-V214 VanDerWaalsContact CB-O 3.31Å; A156-V214 WeakPolarHBondContact CB-O 3.41Å; G157-V214 PolarHBondContact N-O 3.03Å; G157-V214 WeakPolarHBondContact O-CG1 3.34Å; G157-V214 PolarHBondContact O-N 2.8Å; L159-V214 HydrophobicContact CD2-CB 3.75Å; L159-V214 HydrophobicContact CD2-CG1 3.62Å; L159-V214 HydrophobicContact CG-CB 4.31Å; L159-V214 HydrophobicContact CG-CG1 4.46Å; I175-V214 HydrophobicContact CD1-CG1 4.37Å; I175-V214 HydrophobicContact CG2-CG1 3.76Å; V214-A254 CarbonylContact C-O 3.47Å; V214-A254 VanDerWaalsContact CA-O 3.28Å; V214-A254 WeakPolarHBondContact CA-O 3.38Å; V214-A254 HydrophobicContact CB-CB 4.01Å; V214-A254 HydrophobicContact CG2-CB 3.89Å; V214-V256 HydrophobicContact CG2-CG2 3.56Å
215F93.4Very high87.3Confident1 Ų145.8 Ų45.80%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-141.8155.8165.958.5-99.5000112.1R155 A156 V187 L213 M231 E235 T253 A254 I255 V256R155-F215 CarbonylContact O-C 3.56Å; R155-F215 WeakPolarHBondContact O-CA 3.15Å; A156-F215 HydrophobicContact CB-CB 3.95Å; V187-F215 HydrophobicContact CG1-CB 4.42Å; L213-F215 HydrophobicContact CD2-CD1 3.91Å; L213-F215 HydrophobicContact CD2-CE1 4.33Å; L213-F215 HydrophobicContact CG-CD1 4.24Å; F215-M231 HydrophobicContact CE1-CE 4.21Å; F215-M231 HydrophobicContact CZ-CE 3.74Å; F215-M231 HydrophobicContact CZ-CG 4.08Å; F215-M231 HydrophobicContact CZ-SD 4.05Å; F215-E235 HydrophobicContact CD2-CG 4.38Å; F215-E235 HydrophobicContact CE1-CB 4.44Å; F215-E235 HydrophobicContact CE2-CB 4.13Å; F215-E235 VanDerWaalsContact CE2-CD 3.49Å; F215-E235 HydrophobicContact CE2-CG 3.78Å; F215-E235 VanDerWaalsContact CE2-OE1 3.26Å; F215-E235 WeakPolarHBondContact CE2-OE1 3.49Å; F215-E235 HydrophobicContact CZ-CB 3.77Å; F215-E235 HydrophobicContact CZ-CG 3.94Å; F215-T253 HydrophobicContact CD1-CG2 4.24Å; F215-T253 HydrophobicContact CE1-CG2 3.5Å; F215-T253 HydrophobicContact CZ-CG2 4.29Å; F215-A254 PolarHBondContact N-O 3.47Å; F215-I255 HydrophobicContact CD2-CG2 4.43Å; F215-I255 HydrophobicContact CE2-CB 4.41Å; F215-I255 HydrophobicContact CE2-CD1 4.05Å; F215-I255 HydrophobicContact CE2-CG1 3.77Å; F215-I255 HydrophobicContact CE2-CG2 4.07Å; F215-I255 HydrophobicContact CZ-CD1 4.01Å; F215-I255 HydrophobicContact CZ-CG1 3.77Å; F215-I255 CarbonylContact O-C 3.51Å; F215-I255 WeakPolarHBondContact O-CA 3.28Å; F215-V256 PolarHBondContact O-N 3.4Å
216T91.1Very high86.5Confident0 Ų046.1 Ų46.10%027%0.265CS..EExtended strand (participates in β ladder)trans-93.6150.5177.667.30000110.6F141 V145 K154 R155 V256F141-T216 HydrophobicContact CE1-CG2 3.63Å; F141-T216 HydrophobicContact CZ-CG2 3.84Å; V145-T216 HydrophobicContact CB-CG2 4.14Å; V145-T216 HydrophobicContact CG1-CG2 3.64Å; V145-T216 HydrophobicContact CG2-CG2 3.49Å; V145-T216 VanDerWaalsContact CG2-CG2 3.49Å; K154-T216 WeakPolarHBondContact CA-OG1 3.44Å; K154-T216 WeakPolarHBondContact CG-O 3.39Å; R155-T216 HydrophobicContact CB-CG2 4.22Å; R155-T216 PolarHBondContact N-OG1 2.77Å; R155-T216 PolarHBondContact O-N 3.03Å; T216-V256 CarbonylContact C-O 3.52Å; T216-V256 VanDerWaalsContact CA-O 3.27Å; T216-V256 WeakPolarHBondContact CA-O 3.29Å; T216-V256 HydrophobicContact CG2-CB 4.16Å
217Q86.1Confident85.9Confident17 Ų1743 Ų438%0.07926%0.257CS..PPolyproline II helixtrans-95.3123.9164.8-65-167.7-11.300109.3F151 T230 I255 V256 K257F151-Q217 WeakPolarHBondContact CD1-O 3.3Å; Q217-T230 PolarHBondContact NE2-O 3.47Å; Q217-I255 HydrophobicContact CG-CG2 3.54Å; Q217-V256 PolarHBondContact N-O 3.13Å; Q217-K257 HydrophobicContact CB-CG 4.14Å; Q217-K257 VanDerWaalsContact CD-CE 3.44Å; Q217-K257 HydrophobicContact CG-CG 4.03Å; Q217-K257 VanDerWaalsContact OE1-CD 3.26Å
218A78.2Confident85.4Confident5 Ų549.3 Ų49.34%0.04127%0.272CS..PPolyproline II helixtrans-73.6145176.800000110.9F151 K154 E184 G220 R221F151-A218 CarbonylContact O-C 3.52Å; F151-A218 WeakPolarHBondContact O-CA 3.38Å; F151-A218 VanDerWaalsContact O-CB 3.24Å; F151-A218 WeakPolarHBondContact O-CB 3.4Å; K154-A218 HydrophobicContact CG-CB 4.03Å; E184-A218 HydrophobicContact CB-CB 4.31Å; E184-A218 WeakPolarHBondContact O-CB 3.23Å; A218-G220 PolarHBondContact O-N 3.45Å; A218-R221 PolarHBondContact O-N 3.49Å
219V72.9Confident85.1Confident89 Ų8949.2 Ų49.254%0.53927%0.271SS..THydrogen-bonded Turntrans-64.4118.8162.4177.90000106.5F151 L258F151-V219 HydrophobicContact CB-CG2 3.86Å; F151-V219 PolarHBondContact O-N 2.78Å; V219-L258 HydrophobicContact CG2-CD2 4.31Å
220G67.7Low84.8Confident51 Ų5145.3 Ų45.353%0.52626%0.26SS..THydrogen-bonded Turntrans104.23.1-174.600000115.4A218 K222A218-G220 PolarHBondContact O-N 3.45Å; G220-K222 PolarHBondContact O-N 3.27Å
221R77.2Confident84.6Confident48 Ų4843.9 Ų43.918%0.18126%0.255CS..PPolyproline II helixtrans-47.7141.8171.356.8169.7-94.2-162.8-16.7111.6A218 T223 Y229 T230A218-R221 PolarHBondContact O-N 3.49Å; R221-T223 PolarHBondContact O-N 3.15Å; R221-Y229 PolarHBondContact NE-OH 2.89Å; R221-Y229 PolarHBondContact NH1-O 3.36Å; R221-Y229 VanDerWaalsContact NH2-CG 3.31Å; R221-Y229 PolarHBondContact NH2-O 2.81Å; R221-T230 PolarHBondContact NH1-O 2.67Å
222K78Confident84.4Confident61 Ų6144.2 Ų44.227%0.26526%0.257SS..PPolyproline II helixtrans-46.8123.1179.7-176178.5178.7-172.50111.7D185 G220 Y229 D294 D296 P298D185-K222 VanDerWaalsContact OD1-CB 3.27Å; D185-K222 WeakPolarHBondContact OD1-CB 3.27Å; D185-K222 PolarHBondContact OD1-N 3.12Å; G220-K222 PolarHBondContact O-N 3.27Å; K222-Y229 VanDerWaalsContact O-CE1 3.3Å; K222-Y229 WeakPolarHBondContact O-CE1 3.23Å; K222-Y229 PolarHBondContact O-OH 3.07Å; K222-D294 PolarHBondContact NZ-O 3.13Å; K222-D296 PolarHBondContact NZ-O 2.84Å; K222-P298 HydrophobicContact CD-CG 4.19Å; K222-P298 HydrophobicContact CG-CG 4.25Å
223T78.4Confident84.3Confident114 Ų11444.6 Ų44.670%0.69926%0.259SS*.PPolyproline II helixtrans-77.4146.7170.153.40000109.5R221R221-T223 PolarHBondContact O-N 3.15Å
224S80.6Confident84.2Confident17 Ų1747.4 Ų47.412%0.11927%0.27CS..BIsolated β-bridgetrans-91.3136166170.20000108.9T226 G227 D297S224-T226 PolarHBondContact O-N 3.36Å; S224-T226 PolarHBondContact OG-N 3.01Å; S224-T226 VanDerWaalsContact OG-N 3.12Å; S224-T226 PolarHBondContact OG-OG1 3.32Å; S224-T226 VanDerWaalsContact OG-OG1 3.05Å; S224-G227 VanDerWaalsContact CB-O 3.28Å; S224-G227 WeakPolarHBondContact CB-O 3.41Å; S224-G227 PolarHBondContact O-N 2.89Å; S224-D297 VanDerWaalsContact CB-OD1 3.23Å; S224-D297 WeakPolarHBondContact CB-OD1 3.43Å; S224-D297 PolarHBondContact OG-OD1 2.8Å; S224-D297 PolarHBondContact OG-OD2 3.38Å
225D78.3Confident84.1Confident169 Ų16947.7 Ų47.790%0.90427%0.271SS*.THydrogen-bonded Turntrans-66.2-14.4173.9-62.5-31.6000112
226T76.5Confident84.3Confident76 Ų7647.7 Ų47.747%0.46627%0.271SS..THydrogen-bonded Turntrans-105.9-1.6-174.174.90000114.1S224 D297 R299S224-T226 PolarHBondContact O-N 3.36Å; S224-T226 PolarHBondContact OG-N 3.01Å; S224-T226 VanDerWaalsContact OG-N 3.12Å; S224-T226 PolarHBondContact OG-OG1 3.32Å; S224-T226 VanDerWaalsContact OG-OG1 3.05Å; T226-D297 WeakPolarHBondContact CG2-OD2 3.5Å; T226-D297 PolarHBondContact OG1-OD2 2.82Å; T226-R299 VanDerWaalsContact CB-NH2 3.35Å; T226-R299 PolarHBondContact O-NH2 3.32Å; T226-R299 PolarHBondContact OG1-NE 2.79Å; T226-R299 PolarHBondContact OG1-NH2 2.75Å
227G79.6Confident84.6Confident36 Ų3648.6 Ų48.637%0.37128%0.276SS..BIsolated β-bridgetrans146.7-178.4174.300000114.2S224S224-G227 VanDerWaalsContact CB-O 3.28Å; S224-G227 WeakPolarHBondContact CB-O 3.41Å; S224-G227 PolarHBondContact O-N 2.89Å
228E82.4Confident85.1Confident186 Ų18649.2 Ų49.287%0.86928%0.279SS*.  trans-77.4160.4172.1-67.1178-179.900111.1R299E228-R299 WeakPolarHBondContact O-CD 3.03Å
229Y88.2Confident86Confident15 Ų1549 Ų496%0.05928%0.277CS..  trans-146.7144.217764-93.3000110.5R221 K222 M231 S232 P298 R299R221-Y229 PolarHBondContact NE-OH 2.89Å; R221-Y229 PolarHBondContact NH1-O 3.36Å; R221-Y229 VanDerWaalsContact NH2-CG 3.31Å; R221-Y229 PolarHBondContact NH2-O 2.81Å; K222-Y229 VanDerWaalsContact O-CE1 3.3Å; K222-Y229 WeakPolarHBondContact O-CE1 3.23Å; K222-Y229 PolarHBondContact O-OH 3.07Å; Y229-M231 WeakPolarHBondContact CD2-O 3.19Å; Y229-S232 VanDerWaalsContact CE2-CA 3.41Å; Y229-S232 VanDerWaalsContact CE2-CB 3.45Å; Y229-S232 VanDerWaalsContact CE2-N 3.32Å; Y229-P298 HydrophobicContact CD1-CB 4.39Å; Y229-P298 HydrophobicContact CD1-CG 4.06Å; Y229-P298 HydrophobicContact CE1-CB 3.73Å; Y229-P298 HydrophobicContact CE1-CG 3.37Å; Y229-P298 HydrophobicContact CE2-CB 4.31Å; Y229-R299 HydrophobicContact CD1-CB 4.43Å; Y229-R299 HydrophobicContact CG-CB 4.46Å
230T87.9Confident87.2Confident37 Ų3744.8 Ų44.823%0.22725%0.251CS..SBendtrans-73.2-51.1178.8-55.50000110.7Q217 R221 I255 F273 L323Q217-T230 PolarHBondContact NE2-O 3.47Å; R221-T230 PolarHBondContact NH1-O 2.67Å; T230-I255 HydrophobicContact CG2-CD1 4.34Å; T230-F273 HydrophobicContact CG2-CE1 4.09Å; T230-F273 HydrophobicContact CG2-CE2 3.68Å; T230-F273 HydrophobicContact CG2-CZ 3.38Å; T230-L323 HydrophobicContact CG2-CD1 3.8Å
231M92.3Very high88.5Confident0 Ų046.3 Ų46.30%024%0.244CC..SBendtrans-129.4131.6-178.4-167.5178.6-62.300109.1F215 Y229 E235 V236 A239 T253 I255 M275 N319 L323F215-M231 HydrophobicContact CE1-CE 4.21Å; F215-M231 HydrophobicContact CZ-CE 3.74Å; F215-M231 HydrophobicContact CZ-CG 4.08Å; F215-M231 HydrophobicContact CZ-SD 4.05Å; Y229-M231 WeakPolarHBondContact CD2-O 3.19Å; M231-E235 HydrophobicContact CG-CB 3.22Å; M231-E235 HydrophobicContact CG-CG 4.34Å; M231-E235 VanDerWaalsContact SD-C 3.52Å; M231-E235 HydrophobicContact SD-CB 3.94Å; M231-V236 HydrophobicContact CB-CG2 3.99Å; M231-V236 HydrophobicContact CG-CG2 3.78Å; M231-V236 VanDerWaalsContact SD-CA 3.57Å; M231-V236 HydrophobicContact SD-CB 4.3Å; M231-V236 HydrophobicContact SD-CG2 3.75Å; M231-V236 PolarHBondContact SD-N 3.48Å; M231-V236 VanDerWaalsContact SD-N 3.44Å; M231-A239 HydrophobicContact SD-CB 4.06Å; M231-T253 HydrophobicContact CE-CG2 3.85Å; M231-I255 HydrophobicContact CB-CD1 4.48Å; M231-I255 HydrophobicContact CE-CD1 3.78Å; M231-I255 HydrophobicContact CE-CG1 4.3Å; M231-M275 HydrophobicContact CE-CE 3.69Å; M231-M275 HydrophobicContact SD-CE 4.02Å; M231-M275 HydrophobicContact SD-SD 4.19Å; M231-N319 PolarHBondContact O-ND2 2.81Å; M231-L323 HydrophobicContact CB-CD1 3.91Å; M231-L323 HydrophobicContact CB-CD2 3.99Å; M231-L323 HydrophobicContact CE-CD2 3.85Å; M231-L323 HydrophobicContact SD-CD2 3.96Å
232S93.9Very high89.4Confident6 Ų644.5 Ų44.54%0.04224%0.238CC..  trans-70160.8176.163.30000110.8Y229 R234 E235 V236 P298Y229-S232 VanDerWaalsContact CE2-CA 3.41Å; Y229-S232 VanDerWaalsContact CE2-CB 3.45Å; Y229-S232 VanDerWaalsContact CE2-N 3.32Å; S232-R234 PolarHBondContact O-N 2.87Å; S232-E235 WeakPolarHBondContact CB-OE2 3.31Å; S232-E235 PolarHBondContact N-OE2 2.71Å; S232-E235 PolarHBondContact O-N 3.49Å; S232-E235 WeakPolarHBondContact OG-CB 3.31Å; S232-E235 VanDerWaalsContact OG-CG 3.23Å; S232-E235 WeakPolarHBondContact OG-CG 3.45Å; S232-E235 PolarHBondContact OG-N 2.89Å; S232-E235 PolarHBondContact OG-OE2 3Å; S232-V236 WeakPolarHBondContact O-CG2 2.88Å; S232-V236 PolarHBondContact O-N 2.7Å; S232-P298 CarbonylContact C-O 3.55Å; S232-P298 VanDerWaalsContact CA-O 3.25Å; S232-P298 WeakPolarHBondContact CA-O 3.4Å
233N94.6Very high90.4Very high9 Ų942.4 Ų42.45%0.04823%0.23CC..Hα-helixtrans-57.3-33.4175.455.114.1000112.8L237 I292 D297 P298 L300 N319N233-L237 VanDerWaalsContact O-CB 3.29Å; N233-L237 WeakPolarHBondContact O-CB 3.11Å; N233-L237 PolarHBondContact O-N 3.26Å; N233-I292 VanDerWaalsContact C-CD1 3.48Å; N233-I292 HydrophobicContact CB-CD1 4.06Å; N233-I292 WeakPolarHBondContact O-CD1 3.38Å; N233-I292 WeakPolarHBondContact OD1-CG2 3.48Å; N233-D297 PolarHBondContact ND2-O 3.05Å; N233-D297 VanDerWaalsContact ND2-O 3.1Å; N233-P298 PolarHBondContact N-O 3.04Å; N233-L300 WeakPolarHBondContact CB-O 3.45Å; N233-L300 PolarHBondContact ND2-O 2.78Å; N233-L300 VanDerWaalsContact ND2-O 3.1Å; N233-N319 PolarHBondContact N-ND2 2.7Å
234R94.5Very high91.2Very high59 Ų5938.2 Ų38.222%0.22321%0.206CC..Hα-helixtrans-67.9-41.3174.9-64.7-173.9173.4148.7-7.6112S232 Q238 I292 D294S232-R234 PolarHBondContact O-N 2.87Å; R234-Q238 WeakPolarHBondContact O-CB 3.09Å; R234-Q238 PolarHBondContact O-N 3.11Å; R234-I292 HydrophobicContact CB-CD1 4.25Å; R234-I292 HydrophobicContact CG-CB 4.19Å; R234-I292 HydrophobicContact CG-CD1 3.68Å; R234-I292 HydrophobicContact CG-CG2 3.88Å; R234-I292 PolarHBondContact NH2-O 3.43Å; R234-D294 IonicContact CZ-OD1 3.93Å; R234-D294 IonicContact NH1-OD1 3.35Å; R234-D294 IonicContact NH2-OD1 2.78Å; R234-D294 PolarHBondContact NH2-OD1 2.8Å
235E95.4Very high91.9Very high6 Ų641.5 Ų41.53%0.02822%0.22CC..Hα-helixtrans-71.2-40.7176.6-70.4165.3148.500111.5K154 F215 M231 S232 L237 Q238 A239K154-E235 WeakPolarHBondContact CE-OE1 3.5Å; K154-E235 IonicContact NZ-OE1 3.37Å; K154-E235 PolarHBondContact NZ-OE1 2.91Å; K154-E235 IonicContact NZ-OE2 3.67Å; F215-E235 HydrophobicContact CD2-CG 4.38Å; F215-E235 HydrophobicContact CE1-CB 4.44Å; F215-E235 HydrophobicContact CE2-CB 4.13Å; F215-E235 VanDerWaalsContact CE2-CD 3.49Å; F215-E235 HydrophobicContact CE2-CG 3.78Å; F215-E235 VanDerWaalsContact CE2-OE1 3.26Å; F215-E235 WeakPolarHBondContact CE2-OE1 3.49Å; F215-E235 HydrophobicContact CZ-CB 3.77Å; F215-E235 HydrophobicContact CZ-CG 3.94Å; M231-E235 HydrophobicContact CG-CB 3.22Å; M231-E235 HydrophobicContact CG-CG 4.34Å; M231-E235 VanDerWaalsContact SD-C 3.52Å; M231-E235 HydrophobicContact SD-CB 3.94Å; S232-E235 WeakPolarHBondContact CB-OE2 3.31Å; S232-E235 PolarHBondContact N-OE2 2.71Å; S232-E235 PolarHBondContact O-N 3.49Å; S232-E235 WeakPolarHBondContact OG-CB 3.31Å; S232-E235 VanDerWaalsContact OG-CG 3.23Å; S232-E235 WeakPolarHBondContact OG-CG 3.45Å; S232-E235 PolarHBondContact OG-N 2.89Å; S232-E235 PolarHBondContact OG-OE2 3Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 3.34Å; E235-Q238 PolarHBondContact O-N 3.35Å; E235-A239 WeakPolarHBondContact O-CB 3.47Å; E235-A239 PolarHBondContact O-N 3.07Å
236V96.9Very high92.5Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-59.5-45.7173.9169.20000110.1M231 S232 T240 M275 N319 F322 L323M231-V236 HydrophobicContact CB-CG2 3.99Å; M231-V236 HydrophobicContact CG-CG2 3.78Å; M231-V236 VanDerWaalsContact SD-CA 3.57Å; M231-V236 HydrophobicContact SD-CB 4.3Å; M231-V236 HydrophobicContact SD-CG2 3.75Å; M231-V236 PolarHBondContact SD-N 3.48Å; M231-V236 VanDerWaalsContact SD-N 3.44Å; S232-V236 WeakPolarHBondContact O-CG2 2.88Å; S232-V236 PolarHBondContact O-N 2.7Å; V236-T240 WeakPolarHBondContact O-CB 3.39Å; V236-T240 PolarHBondContact O-N 2.82Å; V236-T240 PolarHBondContact O-OG1 2.97Å; V236-M275 HydrophobicContact CG1-SD 4.39Å; V236-N319 HydrophobicContact CG2-CB 3.87Å; V236-F322 HydrophobicContact CG1-CB 4.39Å; V236-F322 HydrophobicContact CG1-CD2 4.01Å; V236-L323 HydrophobicContact CG2-CD2 4.36Å
237L97.2Very high93.1Very high19 Ų1933.4 Ų33.410%0.09919%0.192CC..Hα-helixtrans-60.7-50.8177.3177.761.3000111.1N233 E235 A239 T240 E241 F283 L288 T290 I292N233-L237 VanDerWaalsContact O-CB 3.29Å; N233-L237 WeakPolarHBondContact O-CB 3.11Å; N233-L237 PolarHBondContact O-N 3.26Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 3.34Å; L237-A239 PolarHBondContact O-N 3.37Å; L237-T240 PolarHBondContact O-N 2.63Å; L237-E241 HydrophobicContact CD1-CG 4.22Å; L237-E241 WeakPolarHBondContact O-CB 3.47Å; L237-E241 WeakPolarHBondContact O-CG 3.34Å; L237-E241 PolarHBondContact O-N 3.44Å; L237-F283 HydrophobicContact CD1-CD2 4.09Å; L237-F283 HydrophobicContact CD1-CE2 4.17Å; L237-L288 HydrophobicContact CD1-CD2 4.13Å; L237-T290 HydrophobicContact CD1-CG2 3.95Å; L237-T290 WeakPolarHBondContact CD2-O 3.43Å; L237-I292 HydrophobicContact CB-CD1 4.32Å; L237-I292 HydrophobicContact CD2-CD1 3.99Å
238Q96.3Very high93.8Very high31 Ų3132.3 Ų32.315%0.14518%0.177CC..Hα-helixtrans-62.4-43.8179.8-177.8172.365.400112.4V187 L213 R234 E235 T240 E241 L242V187-Q238 PolarHBondContact O-NE2 3.24Å; L213-Q238 HydrophobicContact CD2-CG 4.47Å; R234-Q238 WeakPolarHBondContact O-CB 3.09Å; R234-Q238 PolarHBondContact O-N 3.11Å; E235-Q238 PolarHBondContact O-N 3.35Å; Q238-T240 VanDerWaalsContact C-N 3.33Å; Q238-T240 PolarHBondContact O-N 2.99Å; Q238-E241 PolarHBondContact O-N 3.21Å; Q238-L242 HydrophobicContact CG-CD1 4.04Å; Q238-L242 WeakPolarHBondContact O-CB 3.41Å; Q238-L242 WeakPolarHBondContact O-CG 3.44Å; Q238-L242 PolarHBondContact O-N 3.09Å
239A97.3Very high94.3Very high0 Ų027 Ų270%016%0.159CC..Hα-helixtrans-62.2-41.817600000111.3M231 E235 L237 L242 Q243 T253 M275M231-A239 HydrophobicContact SD-CB 4.06Å; E235-A239 WeakPolarHBondContact O-CB 3.47Å; E235-A239 PolarHBondContact O-N 3.07Å; L237-A239 PolarHBondContact O-N 3.37Å; A239-L242 PolarHBondContact O-N 3.18Å; A239-Q243 WeakPolarHBondContact O-CB 3.49Å; A239-Q243 PolarHBondContact O-N 3.3Å; A239-T253 HydrophobicContact CB-CG2 3.82Å; A239-M275 HydrophobicContact CB-CE 4.28Å; A239-M275 HydrophobicContact CB-CG 3.88Å; A239-M275 HydrophobicContact CB-SD 3.84Å
240T97.4Very high94.7Very high0 Ų027.1 Ų27.10%016%0.16CC..Hα-helixtrans-68-42.7178.8-59.90000111.9V236 L237 Q238 Q243 A244 C279 V280 F283V236-T240 WeakPolarHBondContact O-CB 3.39Å; V236-T240 PolarHBondContact O-N 2.82Å; V236-T240 PolarHBondContact O-OG1 2.97Å; L237-T240 PolarHBondContact O-N 2.63Å; Q238-T240 VanDerWaalsContact C-N 3.33Å; Q238-T240 PolarHBondContact O-N 2.99Å; T240-Q243 PolarHBondContact O-N 3.22Å; T240-A244 VanDerWaalsContact O-CB 3.25Å; T240-A244 WeakPolarHBondContact O-CB 3.22Å; T240-A244 PolarHBondContact O-N 3.32Å; T240-C279 PolarHBondContact OG1-SG 3.43Å; T240-V280 HydrophobicContact CG2-CG2 4.2Å; T240-F283 HydrophobicContact CG2-CB 3.49Å; T240-F283 VanDerWaalsContact CG2-CB 3.49Å; T240-F283 HydrophobicContact CG2-CD1 4.25Å; T240-F283 HydrophobicContact CG2-CG 3.87Å
241E96.6Very high95.2Very high83 Ų8325.3 Ų25.339%0.38815%0.149SC..Hα-helixtrans-57.5-50.3174.6-80.7-178.9176.800111.2L237 Q238 A244 E245 F283L237-E241 HydrophobicContact CD1-CG 4.22Å; L237-E241 WeakPolarHBondContact O-CB 3.47Å; L237-E241 WeakPolarHBondContact O-CG 3.34Å; L237-E241 PolarHBondContact O-N 3.44Å; Q238-E241 PolarHBondContact O-N 3.21Å; E241-A244 PolarHBondContact O-N 3.18Å; E241-E245 PolarHBondContact O-N 3.43Å; E241-F283 HydrophobicContact CB-CZ 4.3Å; E241-F283 HydrophobicContact CG-CD2 4.28Å; E241-F283 HydrophobicContact CG-CE1 4.18Å; E241-F283 HydrophobicContact CG-CE2 3.43Å; E241-F283 VanDerWaalsContact CG-CE2 3.43Å; E241-F283 HydrophobicContact CG-CZ 3.4Å; E241-F283 VanDerWaalsContact CG-CZ 3.4Å
242L96.2Very high95.4Very high10 Ų1025.3 Ų25.35%0.05215%0.149CC..Hα-helixtrans-72.3-35.3-177.8-69.8173.2000112.4F158 L189 L213 Q238 A239 E245 G246 W251F158-L242 HydrophobicContact CE1-CD1 4.1Å; F158-L242 HydrophobicContact CE1-CD2 3.92Å; F158-L242 HydrophobicContact CZ-CD2 4.2Å; L189-L242 HydrophobicContact CD1-CD1 4.03Å; L213-L242 HydrophobicContact CB-CD1 4.45Å; L213-L242 HydrophobicContact CD1-CD1 3.76Å; L213-L242 HydrophobicContact CD2-CD1 3.58Å; L213-L242 HydrophobicContact CG-CD1 4.12Å; Q238-L242 HydrophobicContact CG-CD1 4.04Å; Q238-L242 WeakPolarHBondContact O-CB 3.41Å; Q238-L242 WeakPolarHBondContact O-CG 3.44Å; Q238-L242 PolarHBondContact O-N 3.09Å; A239-L242 PolarHBondContact O-N 3.18Å; L242-E245 PolarHBondContact O-N 3.07Å; L242-G246 PolarHBondContact O-N 3.44Å; L242-W251 HydrophobicContact CB-CZ2 3.91Å
243Q97.3Very high95.6Very high18 Ų1825 Ų258%0.08415%0.147CC..Hα-helixtrans-64-41.8171.4179.2162.7-27.500111.8A239 T240 E245 G246 W251 M275 V280A239-Q243 WeakPolarHBondContact O-CB 3.49Å; A239-Q243 PolarHBondContact O-N 3.3Å; T240-Q243 PolarHBondContact O-N 3.22Å; Q243-E245 VanDerWaalsContact C-N 3.26Å; Q243-E245 PolarHBondContact O-N 2.93Å; Q243-G246 PolarHBondContact O-N 2.88Å; Q243-W251 HydrophobicContact CB-CB 4.38Å; Q243-W251 VanDerWaalsContact CB-CD1 3.43Å; Q243-W251 HydrophobicContact CB-CD2 4.47Å; Q243-W251 HydrophobicContact CB-CG 3.86Å; Q243-W251 HydrophobicContact CG-CB 3.76Å; Q243-W251 HydrophobicContact CG-CG 3.8Å; Q243-M275 PolarHBondContact NE2-O 2.89Å; Q243-M275 VanDerWaalsContact OE1-CB 3.25Å; Q243-V280 HydrophobicContact CG-CG2 4.02Å
244A95.8Very high95.6Very high25 Ų2524.6 Ų24.621%0.20715%0.145CC..Hα-helixtrans-64-33.617600000112.2T240 E241 V280 F283T240-A244 VanDerWaalsContact O-CB 3.25Å; T240-A244 WeakPolarHBondContact O-CB 3.22Å; T240-A244 PolarHBondContact O-N 3.32Å; E241-A244 PolarHBondContact O-N 3.18Å; A244-V280 HydrophobicContact CB-CG1 4.16Å; A244-F283 HydrophobicContact CB-CD1 3.99Å; A244-F283 HydrophobicContact CB-CE1 4.01Å
245E94.7Very high95.5Very high86 Ų8621.8 Ų21.840%0.40213%0.134SC..Hα-helixtrans-77.4-40.4176.3-172.3-171132.900113.3R191 R210 E241 L242 Q243 G247R191-E245 IonicContact CZ-OE1 2.64Å; R191-E245 IonicContact CZ-OE2 3.17Å; R191-E245 IonicContact NH1-OE1 2.79Å; R191-E245 PolarHBondContact NH1-OE1 2.89Å; R191-E245 IonicContact NH1-OE2 2.63Å; R191-E245 PolarHBondContact NH1-OE2 3.48Å; R191-E245 IonicContact NH2-OE1 3.38Å; R191-E245 PolarHBondContact NH2-OE1 3.2Å; R191-E245 IonicContact NH2-OE2 2.82Å; R191-E245 PolarHBondContact NH2-OE2 2.64Å; R210-E245 IonicContact CZ-OE1 3.31Å; R210-E245 IonicContact NH1-OE1 3.55Å; R210-E245 PolarHBondContact NH1-OE1 3.21Å; R210-E245 IonicContact NH2-OE1 3.33Å; R210-E245 PolarHBondContact NH2-OE1 2.5Å; E241-E245 PolarHBondContact O-N 3.43Å; L242-E245 PolarHBondContact O-N 3.07Å; Q243-E245 VanDerWaalsContact C-N 3.26Å; Q243-E245 PolarHBondContact O-N 2.93Å; E245-G247 PolarHBondContact O-N 2.68Å; E245-G247 VanDerWaalsContact O-N 3.08Å
246G92.1Very high95.3Very high13 Ų1321.5 Ų21.513%0.13413%0.133CC..Hα-helixtrans-58.2-26.5-172.100000114.5L242 Q243 I248 W251L242-G246 PolarHBondContact O-N 3.44Å; Q243-G246 PolarHBondContact O-N 2.88Å; G246-I248 PolarHBondContact O-N 2.81Å; G246-W251 VanDerWaalsContact CA-CZ3 3.43Å
247G88.7Confident94.6Very high63 Ų6323 Ų2365%0.64914%0.139SC*.  trans68.918.6169.800000114.4E245E245-G247 PolarHBondContact O-N 2.68Å; E245-G247 VanDerWaalsContact O-N 3.08Å
248I93.7Very high93.8Very high12 Ų1224.9 Ų24.96%0.06215%0.149CC..  trans-114.7140.6168.256.2172.9000111.2V163 V211 G246 E250 W251V163-I248 HydrophobicContact CG2-CD1 4.18Å; V211-I248 HydrophobicContact CB-CD1 4.2Å; V211-I248 HydrophobicContact CG1-CD1 4.36Å; G246-I248 PolarHBondContact O-N 2.81Å; I248-E250 PolarHBondContact O-N 3.13Å; I248-W251 HydrophobicContact CD1-CB 4.45Å; I248-W251 HydrophobicContact CD1-CE3 4.31Å; I248-W251 HydrophobicContact CG1-CB 3.98Å; I248-W251 HydrophobicContact CG1-CE3 4.03Å
249P94Very high92.7Very high76 Ų7627.9 Ų27.949%0.49416%0.163SC..THydrogen-bonded Turntrans-60.8-30.5168.8-22.833000113.1L127 W251 Q274L127-P249 WeakPolarHBondContact CB-O 3.32Å; L127-P249 HydrophobicContact CD1-CB 4.08Å; L127-P249 WeakPolarHBondContact CD1-O 3.48Å; P249-W251 VanDerWaalsContact C-N 3.34Å; P249-W251 PolarHBondContact O-N 3.17Å; P249-Q274 PolarHBondContact O-NE2 3.13Å
250E96.1Very high91.5Very high16 Ų1632.6 Ų32.68%0.07519%0.192CC..THydrogen-bonded Turntrans-92.819.5-172.1-55.582.417800113.6C128 V163 K168 V170 I248 V252C128-E250 HydrophobicContact CB-CB 4.02Å; V163-E250 HydrophobicContact CG1-CB 3.94Å; V163-E250 HydrophobicContact CG1-CG 3.8Å; K168-E250 HydrophobicContact CB-CG 4.29Å; K168-E250 HydrophobicContact CD-CG 4.33Å; K168-E250 WeakPolarHBondContact CD-OE1 3.39Å; K168-E250 WeakPolarHBondContact CE-OE1 3.24Å; K168-E250 IonicContact NZ-OE1 2.81Å; K168-E250 PolarHBondContact NZ-OE1 3.02Å; V170-E250 HydrophobicContact CG2-CB 3.86Å; V170-E250 WeakPolarHBondContact CG2-O 3.48Å; I248-E250 PolarHBondContact O-N 3.13Å; E250-V252 PolarHBondContact O-N 3.28Å
251W97.5Very high90Very high0 Ų034.1 Ų34.10%021%0.208CC..  trans-56.3131.1-175.9-176.1-88.2000112.9R210 G212 L213 L242 Q243 G246 I248 P249 Q274R210-W251 HydrophobicContact CG-CH2 3.96Å; R210-W251 HydrophobicContact CG-CZ3 4Å; G212-W251 VanDerWaalsContact C-CZ2 3.4Å; L213-W251 HydrophobicContact CB-CZ2 4.18Å; L242-W251 HydrophobicContact CB-CZ2 3.91Å; Q243-W251 HydrophobicContact CB-CB 4.38Å; Q243-W251 VanDerWaalsContact CB-CD1 3.43Å; Q243-W251 HydrophobicContact CB-CD2 4.47Å; Q243-W251 HydrophobicContact CB-CG 3.86Å; Q243-W251 HydrophobicContact CG-CB 3.76Å; Q243-W251 HydrophobicContact CG-CG 3.8Å; G246-W251 VanDerWaalsContact CA-CZ3 3.43Å; I248-W251 HydrophobicContact CD1-CB 4.45Å; I248-W251 HydrophobicContact CD1-CE3 4.31Å; I248-W251 HydrophobicContact CG1-CB 3.98Å; I248-W251 HydrophobicContact CG1-CE3 4.03Å; P249-W251 VanDerWaalsContact C-N 3.34Å; P249-W251 PolarHBondContact O-N 3.17Å; W251-Q274 PolarHBondContact O-NE2 3.21Å
252V97.2Very high88.9Confident0 Ų039 Ų390%024%0.236CC..EExtended strand (participates in β ladder)trans-108.1136.4-179.7178.20000110.9C128 A131 F133 L159 V170 V211 G212 L213 E250 A272C128-V252 HydrophobicContact CB-CG2 4.42Å; A131-V252 HydrophobicContact CB-CG1 3.84Å; A131-V252 HydrophobicContact CB-CG2 4.02Å; F133-V252 HydrophobicContact CZ-CG1 4.5Å; L159-V252 HydrophobicContact CD1-CG1 4.49Å; V170-V252 HydrophobicContact CB-CG2 4.02Å; V170-V252 HydrophobicContact CG1-CG2 4.07Å; V170-V252 HydrophobicContact CG2-CG2 4.02Å; V211-V252 PolarHBondContact O-N 3.14Å; V211-V252 VanDerWaalsContact O-N 3.11Å; G212-V252 CarbonylContact C-O 3.22Å; G212-V252 WeakPolarHBondContact CA-O 3.3Å; L213-V252 PolarHBondContact N-O 3.28Å; E250-V252 PolarHBondContact O-N 3.28Å; V252-A272 HydrophobicContact CG1-CB 4.17Å
253T97.5Very high88Confident0 Ų044.8 Ų44.80%027%0.267CS..EExtended strand (participates in β ladder)trans-114.3111.6167.4-580000108.9L213 F215 M231 A239 F273L213-T253 CarbonylContact O-C 3.39Å; L213-T253 VanDerWaalsContact O-CA 3.29Å; L213-T253 WeakPolarHBondContact O-CA 2.77Å; F215-T253 HydrophobicContact CD1-CG2 4.24Å; F215-T253 HydrophobicContact CE1-CG2 3.5Å; F215-T253 HydrophobicContact CZ-CG2 4.29Å; M231-T253 HydrophobicContact CE-CG2 3.85Å; A239-T253 HydrophobicContact CB-CG2 3.82Å; T253-F273 PolarHBondContact N-O 3.1Å; T253-F273 PolarHBondContact O-N 3.1Å
254A96Very high86.6Confident0 Ų046.6 Ų46.60%029%0.291CS..EExtended strand (participates in β ladder)trans-97.2140.6177.700000111.2F133 L159 L213 V214 F215 E271F133-A254 HydrophobicContact CE1-CB 4.03Å; F133-A254 HydrophobicContact CZ-CB 3.73Å; L159-A254 HydrophobicContact CD1-CB 4.24Å; L213-A254 PolarHBondContact O-N 3.3Å; V214-A254 CarbonylContact C-O 3.47Å; V214-A254 VanDerWaalsContact CA-O 3.28Å; V214-A254 WeakPolarHBondContact CA-O 3.38Å; V214-A254 HydrophobicContact CB-CB 4.01Å; V214-A254 HydrophobicContact CG2-CB 3.89Å; F215-A254 PolarHBondContact N-O 3.47Å; A254-E271 CarbonylContact C-O 3.57Å; A254-E271 VanDerWaalsContact CA-O 3.26Å; A254-E271 WeakPolarHBondContact CA-O 3.23Å
255I92.7Very high85.4Confident0 Ų048.2 Ų48.20%030%0.301CS..EExtended strand (participates in β ladder)trans-116.6129174.5-51.6-175.2000107.9F215 Q217 T230 M231 K257 F270 E271 F273F215-I255 HydrophobicContact CD2-CG2 4.43Å; F215-I255 HydrophobicContact CE2-CB 4.41Å; F215-I255 HydrophobicContact CE2-CD1 4.05Å; F215-I255 HydrophobicContact CE2-CG1 3.77Å; F215-I255 HydrophobicContact CE2-CG2 4.07Å; F215-I255 HydrophobicContact CZ-CD1 4.01Å; F215-I255 HydrophobicContact CZ-CG1 3.77Å; F215-I255 CarbonylContact O-C 3.51Å; F215-I255 WeakPolarHBondContact O-CA 3.28Å; Q217-I255 HydrophobicContact CG-CG2 3.54Å; T230-I255 HydrophobicContact CG2-CD1 4.34Å; M231-I255 HydrophobicContact CB-CD1 4.48Å; M231-I255 HydrophobicContact CE-CD1 3.78Å; M231-I255 HydrophobicContact CE-CG1 4.3Å; I255-K257 HydrophobicContact CG2-CD 4.37Å; I255-K257 HydrophobicContact CG2-CG 3.8Å; I255-F270 WeakPolarHBondContact O-CA 3.27Å; I255-E271 HydrophobicContact CB-CB 4.46Å; I255-E271 PolarHBondContact N-O 2.63Å; I255-E271 PolarHBondContact O-N 3.35Å; I255-F273 HydrophobicContact CD1-CD2 3.84Å; I255-F273 HydrophobicContact CD1-CE2 3.71Å; I255-F273 HydrophobicContact CG1-CD2 4.1Å; I255-F273 HydrophobicContact CG1-CE2 4.19Å
256V89.5Confident84.1Confident0 Ų046.4 Ų46.40%031%0.305CS..EExtended strand (participates in β ladder)trans-107.5118.8175-174.50000108.9F141 F151 V214 F215 T216 Q217 V268 H269 F270F141-V256 HydrophobicContact CD1-CG2 4.09Å; F141-V256 HydrophobicContact CE1-CB 4.38Å; F141-V256 HydrophobicContact CE1-CG2 3.84Å; F151-V256 HydrophobicContact CE1-CG1 4.23Å; F151-V256 HydrophobicContact CZ-CG1 4.37Å; V214-V256 HydrophobicContact CG2-CG2 3.56Å; F215-V256 PolarHBondContact O-N 3.4Å; T216-V256 CarbonylContact C-O 3.52Å; T216-V256 VanDerWaalsContact CA-O 3.27Å; T216-V256 WeakPolarHBondContact CA-O 3.29Å; T216-V256 HydrophobicContact CG2-CB 4.16Å; Q217-V256 PolarHBondContact N-O 3.13Å; V256-V268 HydrophobicContact CG1-CG1 3.31Å; V256-H269 WeakPolarHBondContact CA-O 3.23Å; V256-F270 HydrophobicContact CB-CE2 4.33Å; V256-F270 HydrophobicContact CB-CZ 4.39Å; V256-F270 HydrophobicContact CG1-CD2 4.37Å; V256-F270 HydrophobicContact CG1-CE2 3.75Å; V256-F270 HydrophobicContact CG1-CZ 4.12Å; V256-F270 HydrophobicContact CG2-CD1 3.9Å; V256-F270 HydrophobicContact CG2-CD2 4.21Å; V256-F270 HydrophobicContact CG2-CE1 3.46Å; V256-F270 VanDerWaalsContact CG2-CE1 3.46Å; V256-F270 HydrophobicContact CG2-CE2 3.7Å; V256-F270 HydrophobicContact CG2-CG 4.27Å; V256-F270 HydrophobicContact CG2-CZ 3.35Å
257K83.1Confident83.1Confident30 Ų3050.3 Ų50.313%0.1332%0.323CS..EExtended strand (participates in β ladder)trans-122.9145.7-178.1-54.1-176.7-168.5163.40109.9Q217 I255 V268 H269 E271Q217-K257 HydrophobicContact CB-CG 4.14Å; Q217-K257 VanDerWaalsContact CD-CE 3.44Å; Q217-K257 HydrophobicContact CG-CG 4.03Å; Q217-K257 VanDerWaalsContact OE1-CD 3.26Å; I255-K257 HydrophobicContact CG2-CD 4.37Å; I255-K257 HydrophobicContact CG2-CG 3.8Å; K257-V268 CarbonylContact O-C 3.48Å; K257-V268 WeakPolarHBondContact O-CA 3.42Å; K257-H269 PolarHBondContact N-O 2.61Å; K257-H269 PolarHBondContact O-N 3.05Å; K257-E271 VanDerWaalsContact CE-OE2 3.3Å; K257-E271 WeakPolarHBondContact CE-OE2 3.33Å; K257-E271 IonicContact NZ-OE1 3.46Å; K257-E271 PolarHBondContact NZ-OE1 2.95Å; K257-E271 IonicContact NZ-OE2 3.48Å; K257-E271 PolarHBondContact NZ-OE2 2.76Å
258L80.5Confident82.5Confident59 Ų5948.3 Ų48.331%0.30930%0.298SS..EExtended strand (participates in β ladder)trans-90.8114166.1-175.769.4000108F151 V219 V260 V268F151-L258 HydrophobicContact CD1-CB 4.26Å; F151-L258 HydrophobicContact CD2-CB 4.01Å; F151-L258 HydrophobicContact CD2-CD2 4.1Å; F151-L258 HydrophobicContact CD2-CG 4.48Å; F151-L258 HydrophobicContact CE1-CB 4.28Å; F151-L258 HydrophobicContact CE2-CB 4.05Å; F151-L258 HydrophobicContact CE2-CD1 4.24Å; F151-L258 HydrophobicContact CG-CB 4.13Å; F151-L258 HydrophobicContact CZ-CB 4.18Å; V219-L258 HydrophobicContact CG2-CD2 4.31Å; L258-V260 HydrophobicContact CD2-CG2 4.44Å; L258-V260 HydrophobicContact CG-CG2 4.41Å; L258-V268 HydrophobicContact CD1-CG2 3.86Å
259E72.4Confident82Confident95 Ų9550.7 Ų50.744%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-95.4123.9167.6-63.7-173.2-17700108.3G266 D267 H269E259-G266 CarbonylContact O-C 3.45Å; E259-G266 WeakPolarHBondContact O-CA 3.17Å; E259-D267 PolarHBondContact N-O 3.02Å; E259-D267 PolarHBondContact O-N 2.99Å; E259-H269 VanDerWaalsContact CG-CD2 3.43Å; E259-H269 WeakPolarHBondContact CG-CD2 3.28Å; E259-H269 IonicContact OE1-CD2 3.67Å; E259-H269 IonicContact OE1-CG 3.47Å; E259-H269 IonicContact OE2-CD2 3.95Å; E259-H269 PolarHBondContact OE2-CD2 3.16Å; E259-H269 IonicContact OE2-NE2 3.46Å; E259-H269 PolarHBondContact OE2-NE2 2.91Å
260V72.3Confident81.6Confident99 Ų9948.7 Ų48.760%0.629%0.292SS*.EExtended strand (participates in β ladder)trans-93.9111.4175.7-176.30000107.2L258 S265L258-V260 HydrophobicContact CD2-CG2 4.44Å; L258-V260 HydrophobicContact CG-CG2 4.41Å; V260-S265 CarbonylContact C-O 3.5Å; V260-S265 WeakPolarHBondContact CA-O 3.35Å
261G67.5Low81.3Confident32 Ų3250.4 Ų50.433%0.3330%0.3SS..  trans-64.8164173.900000112.1D263 G264 S265G261-D263 PolarHBondContact O-N 3.49Å; G261-D263 VanDerWaalsContact O-N 3.1Å; G261-G264 WeakPolarHBondContact O-CA 3.46Å; G261-G264 PolarHBondContact O-N 3.44Å; G261-S265 PolarHBondContact N-O 3.44Å
262D72.8Confident81.2Confident185 Ų18550.6 Ų50.699%0.98930%0.302SS*.THydrogen-bonded Turntrans-60.9-21.7-178.2-67.1-30000113.4G264D262-G264 VanDerWaalsContact C-N 3.28Å
263D77.3Confident81.1Confident131 Ų13151.5 Ų51.570%0.70131%0.306SS*.THydrogen-bonded Turntrans-84.70175.767.8-16.6000113.5G261 S265G261-D263 PolarHBondContact O-N 3.49Å; G261-D263 VanDerWaalsContact O-N 3.1Å; D263-S265 VanDerWaalsContact C-N 3.25Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 3.2Å; D263-S265 PolarHBondContact OD1-OG 3.12Å; D263-S265 PolarHBondContact OD2-OG 2.82Å
264G67.6Low81.1Confident56 Ų5651.5 Ų51.558%0.57731%0.306SS*.SBendtrans78.54.8-17400000113.9G261 D262G261-G264 WeakPolarHBondContact O-CA 3.46Å; G261-G264 PolarHBondContact O-N 3.44Å; D262-G264 VanDerWaalsContact C-N 3.28Å
265S70.1Confident81.1Confident60 Ų6051.5 Ų51.542%0.4231%0.306SS..PPolyproline II helixtrans-69.6136.1169.368.80000109.5V260 G261 D263V260-S265 CarbonylContact C-O 3.5Å; V260-S265 WeakPolarHBondContact CA-O 3.35Å; G261-S265 PolarHBondContact N-O 3.44Å; D263-S265 VanDerWaalsContact C-N 3.25Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 3.2Å; D263-S265 PolarHBondContact OD1-OG 3.12Å; D263-S265 PolarHBondContact OD2-OG 2.82Å
266G67.6Low81.3Confident48 Ų4851.5 Ų51.550%0.49531%0.306SS..EExtended strand (participates in β ladder)trans-97.2116.1172.700000109.2E259E259-G266 CarbonylContact O-C 3.45Å; E259-G266 WeakPolarHBondContact O-CA 3.17Å
267D72.1Confident81.6Confident94 Ų9457 Ų5750%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-100.8138.9169.5-163.88.3000109.6E259 H269E259-D267 PolarHBondContact N-O 3.02Å; E259-D267 PolarHBondContact O-N 2.99Å; D267-H269 IonicContact OD2-CE1 2.97Å; D267-H269 PolarHBondContact OD2-CE1 3.05Å; D267-H269 IonicContact OD2-NE2 3.89Å; D267-H269 PolarHBondContact OD2-NE2 2.75Å
268V76.1Confident82.2Confident22 Ų2257.1 Ų57.113%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-100.9107.6-177.1-177.90000109Q142 F151 V256 K257 L258 F270Q142-V268 HydrophobicContact CB-CG1 4.24Å; Q142-V268 HydrophobicContact CG-CB 4.22Å; Q142-V268 HydrophobicContact CG-CG1 3.62Å; F151-V268 HydrophobicContact CE2-CG2 4.13Å; F151-V268 HydrophobicContact CZ-CG1 3.96Å; F151-V268 HydrophobicContact CZ-CG2 3.95Å; V256-V268 HydrophobicContact CG1-CG1 3.31Å; K257-V268 CarbonylContact O-C 3.48Å; K257-V268 WeakPolarHBondContact O-CA 3.42Å; L258-V268 HydrophobicContact CD1-CG2 3.86Å; V268-F270 HydrophobicContact CG1-CE2 4.39Å
269H81.4Confident83Confident62 Ų6254.3 Ų54.329%0.28732%0.319SS..EExtended strand (participates in β ladder)trans-96.7140.3-177.7-68.8-80.7000112.1V256 K257 E259 D267V256-H269 WeakPolarHBondContact CA-O 3.23Å; K257-H269 PolarHBondContact N-O 2.61Å; K257-H269 PolarHBondContact O-N 3.05Å; E259-H269 VanDerWaalsContact CG-CD2 3.43Å; E259-H269 WeakPolarHBondContact CG-CD2 3.28Å; E259-H269 IonicContact OE1-CD2 3.67Å; E259-H269 IonicContact OE1-CG 3.47Å; E259-H269 IonicContact OE2-CD2 3.95Å; E259-H269 PolarHBondContact OE2-CD2 3.16Å; E259-H269 IonicContact OE2-NE2 3.46Å; E259-H269 PolarHBondContact OE2-NE2 2.91Å; D267-H269 IonicContact OD2-CE1 2.97Å; D267-H269 PolarHBondContact OD2-CE1 3.05Å; D267-H269 IonicContact OD2-NE2 3.89Å; D267-H269 PolarHBondContact OD2-NE2 2.75Å
270F85.4Confident84.1Confident34 Ų3450.4 Ų50.415%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-101.1131169-80.2-117.3000108.3A138 Q142 I255 V256 V268 I328A138-F270 HydrophobicContact CB-CE1 4.43Å; A138-F270 HydrophobicContact CB-CZ 4.18Å; Q142-F270 HydrophobicContact CG-CE2 3.45Å; Q142-F270 VanDerWaalsContact CG-CE2 3.45Å; Q142-F270 HydrophobicContact CG-CZ 3.9Å; I255-F270 WeakPolarHBondContact O-CA 3.27Å; V256-F270 HydrophobicContact CB-CE2 4.33Å; V256-F270 HydrophobicContact CB-CZ 4.39Å; V256-F270 HydrophobicContact CG1-CD2 4.37Å; V256-F270 HydrophobicContact CG1-CE2 3.75Å; V256-F270 HydrophobicContact CG1-CZ 4.12Å; V256-F270 HydrophobicContact CG2-CD1 3.9Å; V256-F270 HydrophobicContact CG2-CD2 4.21Å; V256-F270 HydrophobicContact CG2-CE1 3.46Å; V256-F270 VanDerWaalsContact CG2-CE1 3.46Å; V256-F270 HydrophobicContact CG2-CE2 3.7Å; V256-F270 HydrophobicContact CG2-CG 4.27Å; V256-F270 HydrophobicContact CG2-CZ 3.35Å; V268-F270 HydrophobicContact CG1-CE2 4.39Å; F270-I328 HydrophobicContact CB-CD1 4.03Å; F270-I328 WeakPolarHBondContact O-CD1 3.36Å
271E90.8Very high85.2Confident51 Ų5151.3 Ų51.324%0.23830%0.297CS..EExtended strand (participates in β ladder)trans-117.2143.7164.1-65.5175.8-174.800108.6A254 I255 K257 F273A254-E271 CarbonylContact C-O 3.57Å; A254-E271 VanDerWaalsContact CA-O 3.26Å; A254-E271 WeakPolarHBondContact CA-O 3.23Å; I255-E271 HydrophobicContact CB-CB 4.46Å; I255-E271 PolarHBondContact N-O 2.63Å; I255-E271 PolarHBondContact O-N 3.35Å; K257-E271 VanDerWaalsContact CE-OE2 3.3Å; K257-E271 WeakPolarHBondContact CE-OE2 3.33Å; K257-E271 IonicContact NZ-OE1 3.46Å; K257-E271 PolarHBondContact NZ-OE1 2.95Å; K257-E271 IonicContact NZ-OE2 3.48Å; K257-E271 PolarHBondContact NZ-OE2 2.76Å; E271-F273 HydrophobicContact CB-CD2 4.36Å; E271-F273 HydrophobicContact CB-CE2 3.48Å; E271-F273 VanDerWaalsContact CB-CE2 3.48Å; E271-F273 HydrophobicContact CB-CZ 3.97Å; E271-F273 HydrophobicContact CG-CE2 4.44Å; E271-F273 VanDerWaalsContact OE2-CE2 3.29Å; E271-F273 WeakPolarHBondContact OE2-CE2 3.48Å; E271-F273 WeakPolarHBondContact OE2-CZ 3.24Å
272A94.5Very high86.6Confident5 Ų549.9 Ų49.94%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-123.5133.3-179.800000109A131 V252 V326 I328A131-A272 HydrophobicContact CB-CB 4.17Å; V252-A272 HydrophobicContact CG1-CB 4.17Å; A272-V326 HydrophobicContact CB-CB 3.96Å; A272-V326 HydrophobicContact CB-CG1 4.43Å; A272-V326 PolarHBondContact O-N 2.83Å; A272-I328 HydrophobicContact CB-CD1 3.8Å; A272-I328 HydrophobicContact CB-CG1 3.56Å
273F96.3Very high87.7Confident18 Ų1843.5 Ų43.58%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-133.5160.4179.8-60.3-82000110.1T230 T253 I255 E271 M275 L323 V324 P325T230-F273 HydrophobicContact CG2-CE1 4.09Å; T230-F273 HydrophobicContact CG2-CE2 3.68Å; T230-F273 HydrophobicContact CG2-CZ 3.38Å; T253-F273 PolarHBondContact N-O 3.1Å; T253-F273 PolarHBondContact O-N 3.1Å; I255-F273 HydrophobicContact CD1-CD2 3.84Å; I255-F273 HydrophobicContact CD1-CE2 3.71Å; I255-F273 HydrophobicContact CG1-CD2 4.1Å; I255-F273 HydrophobicContact CG1-CE2 4.19Å; E271-F273 HydrophobicContact CB-CD2 4.36Å; E271-F273 HydrophobicContact CB-CE2 3.48Å; E271-F273 VanDerWaalsContact CB-CE2 3.48Å; E271-F273 HydrophobicContact CB-CZ 3.97Å; E271-F273 HydrophobicContact CG-CE2 4.44Å; E271-F273 VanDerWaalsContact OE2-CE2 3.29Å; E271-F273 WeakPolarHBondContact OE2-CE2 3.48Å; E271-F273 WeakPolarHBondContact OE2-CZ 3.24Å; F273-M275 HydrophobicContact CB-CE 4.24Å; F273-L323 HydrophobicContact CD1-CB 3.99Å; F273-L323 HydrophobicContact CE1-CB 4.47Å; F273-V324 CarbonylContact C-O 3.58Å; F273-V324 VanDerWaalsContact CA-O 3.32Å; F273-V324 WeakPolarHBondContact CA-O 3.39Å; F273-P325 HydrophobicContact CD1-CG 4.46Å; F273-P325 HydrophobicContact CE1-CB 4.44Å; F273-P325 HydrophobicContact CE1-CG 4.29Å
274Q96.5Very high88.6Confident0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-120.5138.9162.1179.9166.438.900108.5P126 P249 W251 S276 V324 V326P126-Q274 HydrophobicContact CB-CB 4.34Å; P249-Q274 PolarHBondContact O-NE2 3.13Å; W251-Q274 PolarHBondContact O-NE2 3.21Å; Q274-S276 PolarHBondContact O-N 3.48Å; Q274-V324 HydrophobicContact CB-CB 4.4Å; Q274-V324 PolarHBondContact N-O 2.86Å; Q274-V324 WeakPolarHBondContact O-CB 3.42Å; Q274-V324 PolarHBondContact O-N 2.79Å; Q274-V326 HydrophobicContact CB-CG2 3.99Å
275M97.5Very high89.9Confident1 Ų145.8 Ų45.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-69.5130170.2-58.5-6092.600108.4M231 V236 A239 Q243 F273 V280 F322 L323M231-M275 HydrophobicContact CE-CE 3.69Å; M231-M275 HydrophobicContact SD-CE 4.02Å; M231-M275 HydrophobicContact SD-SD 4.19Å; V236-M275 HydrophobicContact CG1-SD 4.39Å; A239-M275 HydrophobicContact CB-CE 4.28Å; A239-M275 HydrophobicContact CB-CG 3.88Å; A239-M275 HydrophobicContact CB-SD 3.84Å; Q243-M275 PolarHBondContact NE2-O 2.89Å; Q243-M275 VanDerWaalsContact OE1-CB 3.25Å; F273-M275 HydrophobicContact CB-CE 4.24Å; M275-V280 HydrophobicContact CB-CG2 4.14Å; M275-F322 CarbonylContact C-O 3.56Å; M275-F322 WeakPolarHBondContact CA-O 3.3Å; M275-L323 HydrophobicContact CE-CD2 3.38Å; M275-L323 HydrophobicContact SD-CD2 4.06Å
276S96.8Very high91.1Very high0 Ų044.9 Ų44.90%024%0.239CC..  trans-54148.9178.365.60000111.2Q274 I278 C279 V280 F322Q274-S276 PolarHBondContact O-N 3.48Å; S276-I278 PolarHBondContact O-N 2.85Å; S276-I278 VanDerWaalsContact OG-CG2 3.3Å; S276-I278 WeakPolarHBondContact OG-CG2 3.34Å; S276-C279 WeakPolarHBondContact O-CB 3.3Å; S276-C279 PolarHBondContact O-N 2.76Å; S276-C279 VanDerWaalsContact OG-CB 3.31Å; S276-C279 WeakPolarHBondContact OG-CB 3.35Å; S276-C279 PolarHBondContact OG-N 2.8Å; S276-C279 VanDerWaalsContact OG-N 3.16Å; S276-V280 PolarHBondContact O-N 3.2Å; S276-V280 VanDerWaalsContact O-N 3.13Å; S276-F322 PolarHBondContact N-O 3.09Å; S276-F322 WeakPolarHBondContact OG-CA 3.31Å
277E95.8Very high92.4Very high114 Ų11442.9 Ų42.953%0.53322%0.217SC..Hα-helixtrans-58.1-34.6177.9-67.2-174.484.800111.6L127 V280 K281L127-E277 HydrophobicContact CD1-CG 4.05Å; E277-V280 PolarHBondContact O-N 2.81Å; E277-K281 VanDerWaalsContact O-CB 3.28Å; E277-K281 WeakPolarHBondContact O-CB 3.44Å; E277-K281 PolarHBondContact O-N 3.2Å
278I94.9Very high93.6Very high33 Ų3338.5 Ų38.517%0.16919%0.193CC..Hα-helixtrans-66.5-39.4176.2-170.459.6000111.8I118 V120 S276 K281 L282I118-I278 HydrophobicContact CG2-CD1 4.32Å; V120-I278 HydrophobicContact CG1-CG2 4.18Å; V120-I278 HydrophobicContact CG2-CG1 4.31Å; S276-I278 PolarHBondContact O-N 2.85Å; S276-I278 VanDerWaalsContact OG-CG2 3.3Å; S276-I278 WeakPolarHBondContact OG-CG2 3.34Å; I278-K281 HydrophobicContact CD1-CD 4.39Å; I278-K281 PolarHBondContact O-N 3.46Å; I278-L282 HydrophobicContact CD1-CG 4.42Å; I278-L282 HydrophobicContact CG1-CD1 4.28Å; I278-L282 HydrophobicContact CG1-CG 4.33Å; I278-L282 WeakPolarHBondContact O-CB 3.19Å; I278-L282 WeakPolarHBondContact O-CG 3.49Å; I278-L282 PolarHBondContact O-N 3.05Å
279C97Very high94.6Very high0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-61.7-49.5175.8-166.80000111.2T240 S276 K281 L282 F283 F322T240-C279 PolarHBondContact OG1-SG 3.43Å; S276-C279 WeakPolarHBondContact O-CB 3.3Å; S276-C279 PolarHBondContact O-N 2.76Å; S276-C279 VanDerWaalsContact OG-CB 3.31Å; S276-C279 WeakPolarHBondContact OG-CB 3.35Å; S276-C279 PolarHBondContact OG-N 2.8Å; S276-C279 VanDerWaalsContact OG-N 3.16Å; C279-K281 VanDerWaalsContact C-N 3.25Å; C279-K281 PolarHBondContact O-N 3.05Å; C279-L282 PolarHBondContact O-N 3.36Å; C279-F283 PolarHBondContact O-N 2.75Å; C279-F322 HydrophobicContact CB-CB 3.77Å; C279-F322 HydrophobicContact CB-CD1 3.43Å; C279-F322 VanDerWaalsContact CB-CD1 3.43Å; C279-F322 HydrophobicContact CB-CE1 4.15Å; C279-F322 HydrophobicContact CB-CG 3.71Å; C279-F322 VanDerWaalsContact SG-CG 3.53Å
280V96.5Very high95.2Very high13 Ų1339.1 Ų39.18%0.07920%0.199CC..Hα-helixtrans-60.3-37.9177.4177.90000111.2T240 Q243 A244 M275 S276 E277 K284T240-V280 HydrophobicContact CG2-CG2 4.2Å; Q243-V280 HydrophobicContact CG-CG2 4.02Å; A244-V280 HydrophobicContact CB-CG1 4.16Å; M275-V280 HydrophobicContact CB-CG2 4.14Å; S276-V280 PolarHBondContact O-N 3.2Å; S276-V280 VanDerWaalsContact O-N 3.13Å; E277-V280 PolarHBondContact O-N 2.81Å; V280-K284 HydrophobicContact CG1-CD 4.11Å; V280-K284 WeakPolarHBondContact O-CB 3.25Å; V280-K284 VanDerWaalsContact O-CG 3.31Å; V280-K284 WeakPolarHBondContact O-CG 3.42Å; V280-K284 PolarHBondContact O-N 3.03Å
281K95Very high95.7Very high119 Ų11944.6 Ų44.652%0.51723%0.225SC..Hα-helixtrans-66.2-48.9174.9-177.3179.8178-176.40112E277 I278 C279 F283 K284 D285E277-K281 VanDerWaalsContact O-CB 3.28Å; E277-K281 WeakPolarHBondContact O-CB 3.44Å; E277-K281 PolarHBondContact O-N 3.2Å; I278-K281 HydrophobicContact CD1-CD 4.39Å; I278-K281 PolarHBondContact O-N 3.46Å; C279-K281 VanDerWaalsContact C-N 3.25Å; C279-K281 PolarHBondContact O-N 3.05Å; K281-F283 PolarHBondContact O-N 2.95Å; K281-K284 PolarHBondContact O-N 3.28Å; K281-K284 VanDerWaalsContact O-N 3.16Å; K281-D285 WeakPolarHBondContact CE-OD2 3.39Å; K281-D285 WeakPolarHBondContact CG-OD2 3.29Å; K281-D285 WeakPolarHBondContact O-CB 3.44Å; K281-D285 VanDerWaalsContact O-CG 3.32Å; K281-D285 PolarHBondContact O-N 2.81Å
282L96.2Very high95.8Very high2 Ų244 Ų441%0.0122%0.223CC..Hα-helixtrans-56.6-40.3177.3-71.3170.4000111.3I118 V120 I278 C279 G286 V287 L288 M303 V307 F322I118-L282 HydrophobicContact CG2-CD2 3.74Å; V120-L282 HydrophobicContact CG2-CD1 3.91Å; I278-L282 HydrophobicContact CD1-CG 4.42Å; I278-L282 HydrophobicContact CG1-CD1 4.28Å; I278-L282 HydrophobicContact CG1-CG 4.33Å; I278-L282 WeakPolarHBondContact O-CB 3.19Å; I278-L282 WeakPolarHBondContact O-CG 3.49Å; I278-L282 PolarHBondContact O-N 3.05Å; C279-L282 PolarHBondContact O-N 3.36Å; L282-G286 PolarHBondContact O-N 3.21Å; L282-V287 HydrophobicContact CB-CB 4.37Å; L282-V287 HydrophobicContact CD2-CB 3.79Å; L282-V287 HydrophobicContact CD2-CG1 3.64Å; L282-V287 HydrophobicContact CD2-CG2 4.43Å; L282-V287 WeakPolarHBondContact O-CA 3.4Å; L282-V287 PolarHBondContact O-N 3.19Å; L282-L288 HydrophobicContact CB-CB 4.27Å; L282-L288 PolarHBondContact O-N 3.26Å; L282-M303 HydrophobicContact CD1-SD 4.07Å; L282-V307 HydrophobicContact CD2-CG1 4.43Å; L282-F322 HydrophobicContact CD1-CE1 3.82Å; L282-F322 HydrophobicContact CD1-CZ 4.11Å
283F96.8Very high95.6Very high50 Ų5045.4 Ų45.422%0.21924%0.238CC..Hα-helixtrans-63.8-51.6173.9173.2-102.4000112.2L237 T240 E241 A244 C279 K281 D285 G286 L288 T290L237-F283 HydrophobicContact CD1-CD2 4.09Å; L237-F283 HydrophobicContact CD1-CE2 4.17Å; T240-F283 HydrophobicContact CG2-CB 3.49Å; T240-F283 VanDerWaalsContact CG2-CB 3.49Å; T240-F283 HydrophobicContact CG2-CD1 4.25Å; T240-F283 HydrophobicContact CG2-CG 3.87Å; E241-F283 HydrophobicContact CB-CZ 4.3Å; E241-F283 HydrophobicContact CG-CD2 4.28Å; E241-F283 HydrophobicContact CG-CE1 4.18Å; E241-F283 HydrophobicContact CG-CE2 3.43Å; E241-F283 VanDerWaalsContact CG-CE2 3.43Å; E241-F283 HydrophobicContact CG-CZ 3.4Å; E241-F283 VanDerWaalsContact CG-CZ 3.4Å; A244-F283 HydrophobicContact CB-CD1 3.99Å; A244-F283 HydrophobicContact CB-CE1 4.01Å; C279-F283 PolarHBondContact O-N 2.75Å; K281-F283 PolarHBondContact O-N 2.95Å; F283-D285 VanDerWaalsContact C-N 3.29Å; F283-D285 PolarHBondContact O-N 3.28Å; F283-G286 PolarHBondContact O-N 2.77Å; F283-L288 HydrophobicContact CB-CB 4.38Å; F283-L288 HydrophobicContact CB-CD2 4.01Å; F283-L288 HydrophobicContact CD2-CD2 4.33Å; F283-T290 HydrophobicContact CE2-CG2 4.3Å
284K95.5Very high95.2Very high136 Ų13650.5 Ų50.559%0.59127%0.266SS*.Hα-helixtrans-61.8-35.2179.7-74.9175.3179.5175.80113.1V280 K281 G286V280-K284 HydrophobicContact CG1-CD 4.11Å; V280-K284 WeakPolarHBondContact O-CB 3.25Å; V280-K284 VanDerWaalsContact O-CG 3.31Å; V280-K284 WeakPolarHBondContact O-CG 3.42Å; V280-K284 PolarHBondContact O-N 3.03Å; K281-K284 PolarHBondContact O-N 3.28Å; K281-K284 VanDerWaalsContact O-N 3.16Å; K284-G286 PolarHBondContact O-N 3.32Å
285D95Very high94.9Very high99 Ų9960.3 Ų60.353%0.52931%0.309SS..THydrogen-bonded Turntrans-80.8-1.8178.4-67.3-11.4000112.5K281 F283 V287K281-D285 WeakPolarHBondContact CE-OD2 3.39Å; K281-D285 WeakPolarHBondContact CG-OD2 3.29Å; K281-D285 WeakPolarHBondContact O-CB 3.44Å; K281-D285 VanDerWaalsContact O-CG 3.32Å; K281-D285 PolarHBondContact O-N 2.81Å; F283-D285 VanDerWaalsContact C-N 3.29Å; F283-D285 PolarHBondContact O-N 3.28Å; D285-V287 HydrophobicContact CB-CG2 4.01Å; D285-V287 PolarHBondContact O-N 3.01Å
286G95.4Very high94.6Very high42 Ų4261.6 Ų61.643%0.43332%0.316SS..THydrogen-bonded Turntrans66.823.2-178.100000113.7L282 F283 K284 R304L282-G286 PolarHBondContact O-N 3.21Å; F283-G286 PolarHBondContact O-N 2.77Å; K284-G286 PolarHBondContact O-N 3.32Å; G286-R304 WeakPolarHBondContact O-CD 3.19Å
287V96Very high94.4Very high5 Ų563.3 Ų63.33%0.0333%0.325CS..  trans-85.7-36.2176.6-177.40000110.9I118 L282 D285 E289 M303 R304 K305 V307I118-V287 HydrophobicContact CD1-CG1 4.37Å; I118-V287 HydrophobicContact CD1-CG2 4.08Å; L282-V287 HydrophobicContact CB-CB 4.37Å; L282-V287 HydrophobicContact CD2-CB 3.79Å; L282-V287 HydrophobicContact CD2-CG1 3.64Å; L282-V287 HydrophobicContact CD2-CG2 4.43Å; L282-V287 WeakPolarHBondContact O-CA 3.4Å; L282-V287 PolarHBondContact O-N 3.19Å; D285-V287 HydrophobicContact CB-CG2 4.01Å; D285-V287 PolarHBondContact O-N 3.01Å; V287-E289 PolarHBondContact O-N 3.43Å; V287-M303 HydrophobicContact CG1-CB 4.46Å; V287-M303 HydrophobicContact CG1-SD 4.49Å; V287-M303 CarbonylContact O-C 3.53Å; V287-M303 WeakPolarHBondContact O-CA 3.48Å; V287-R304 PolarHBondContact O-N 2.83Å; V287-K305 HydrophobicContact CG1-CB 4.43Å; V287-V307 HydrophobicContact CG1-CG1 4.26Å
288L96.4Very high94.3Very high3 Ų358.2 Ų58.22%0.01630%0.301CS..BIsolated β-bridgetrans-66.8128.3173.3-173.764.3000109.6L237 L282 F283 M303L237-L288 HydrophobicContact CD1-CD2 4.13Å; L282-L288 HydrophobicContact CB-CB 4.27Å; L282-L288 PolarHBondContact O-N 3.26Å; F283-L288 HydrophobicContact CB-CB 4.38Å; F283-L288 HydrophobicContact CB-CD2 4.01Å; F283-L288 HydrophobicContact CD2-CD2 4.33Å; L288-M303 HydrophobicContact CD1-CE 3.4Å; L288-M303 HydrophobicContact CD1-SD 4.15Å
289E96.2Very high94.2Very high36 Ų3659.6 Ų59.617%0.16831%0.305CS..  trans-70.5133.7172.7-176.754.4-102.900109.7V287 E291 K302 R304V287-E289 PolarHBondContact O-N 3.43Å; E289-E291 PolarHBondContact OE1-N 2.8Å; E289-K302 HydrophobicContact CB-CB 3.69Å; E289-K302 WeakPolarHBondContact CB-O 3.43Å; E289-K302 HydrophobicContact CG-CB 4.16Å; E289-K302 PolarHBondContact N-O 2.84Å; E289-R304 VanDerWaalsContact CD-CZ 3.41Å; E289-R304 VanDerWaalsContact CD-NH1 3.31Å; E289-R304 IonicContact OE1-CZ 3.89Å; E289-R304 IonicContact OE1-NE 2.64Å; E289-R304 IonicContact OE1-NH1 4Å; E289-R304 PolarHBondContact OE1-NH1 3.21Å; E289-R304 VanDerWaalsContact OE1-NH1 3.17Å; E289-R304 IonicContact OE1-NH2 3.82Å; E289-R304 PolarHBondContact OE1-NH2 3.35Å; E289-R304 IonicContact OE2-CZ 3.63Å; E289-R304 IonicContact OE2-NE 3.17Å; E289-R304 IonicContact OE2-NH1 2.69Å; E289-R304 PolarHBondContact OE2-NH1 2.66Å; E289-R304 IonicContact OE2-NH2 3.04Å
290T95.9Very high94.1Very high60 Ų6061 Ų6137%0.36831%0.312SS..  trans-106.8-14.5-176.256.80000111.8L237 F283 R304L237-T290 HydrophobicContact CD1-CG2 3.95Å; L237-T290 WeakPolarHBondContact CD2-O 3.43Å; F283-T290 HydrophobicContact CE2-CG2 4.3Å; T290-R304 PolarHBondContact OG1-NH2 3.26Å
291E94.3Very high94.1Very high150 Ų15060.7 Ų60.770%0.70131%0.31SS*.  trans-94108.1175.7-63.6-179.7-175.400109.8E289E289-E291 PolarHBondContact OE1-N 2.8Å
292I93.1Very high94.2Very high38 Ų3858.3 Ų58.320%0.19530%0.3CS..  trans-108.6112.7-177.6-60.6167.9000109.6N233 R234 L237 D296N233-I292 VanDerWaalsContact C-CD1 3.48Å; N233-I292 HydrophobicContact CB-CD1 4.06Å; N233-I292 WeakPolarHBondContact O-CD1 3.38Å; N233-I292 WeakPolarHBondContact OD1-CG2 3.48Å; R234-I292 HydrophobicContact CB-CD1 4.25Å; R234-I292 HydrophobicContact CG-CB 4.19Å; R234-I292 HydrophobicContact CG-CD1 3.68Å; R234-I292 HydrophobicContact CG-CG2 3.88Å; R234-I292 PolarHBondContact NH2-O 3.43Å; L237-I292 HydrophobicContact CB-CD1 4.32Å; L237-I292 HydrophobicContact CD2-CD1 3.99Å; I292-D296 HydrophobicContact CG2-CB 4.34Å
293G91.2Very high94.2Very high34 Ų3458.5 Ų58.535%0.35130%0.301SS..  trans-77.3154.2178.900000112.9K295 D296G293-K295 PolarHBondContact O-N 2.86Å; G293-D296 PolarHBondContact N-OD2 2.85Å; G293-D296 VanDerWaalsContact O-CB 3.27Å; G293-D296 WeakPolarHBondContact O-CB 3.41Å; G293-D296 PolarHBondContact O-N 2.74Å
294D87.1Confident94.1Very high126 Ų12661.6 Ų61.667%0.67431%0.311SS*.THydrogen-bonded Turntrans-64.8-22.4-178.3-63.9-36.6000113.9K222 R234K222-D294 PolarHBondContact NZ-O 3.13Å; R234-D294 IonicContact CZ-OD1 3.93Å; R234-D294 IonicContact NH1-OD1 3.35Å; R234-D294 IonicContact NH2-OD1 2.78Å; R234-D294 PolarHBondContact NH2-OD1 2.8Å
295K89.5Confident94Very high205 Ų20561.4 Ų61.489%0.89131%0.31SS*.THydrogen-bonded Turntrans-89.1-4.5176.8-64.2-174.6-179.6-179.80113.6G293G293-K295 PolarHBondContact O-N 2.86Å
296D91.6Very high93.8Very high29 Ų2962.3 Ų62.316%0.15531%0.311CS..SBendtrans-70.9143.5-177.7-64.8-11.7000110.3K222 I292 G293 P298 K302K222-D296 PolarHBondContact NZ-O 2.84Å; I292-D296 HydrophobicContact CG2-CB 4.34Å; G293-D296 PolarHBondContact N-OD2 2.85Å; G293-D296 VanDerWaalsContact O-CB 3.27Å; G293-D296 WeakPolarHBondContact O-CB 3.41Å; G293-D296 PolarHBondContact O-N 2.74Å; D296-P298 WeakPolarHBondContact O-CD 3.37Å; D296-K302 IonicContact OD1-NZ 2.82Å; D296-K302 PolarHBondContact OD1-NZ 2.89Å; D296-K302 IonicContact OD2-NZ 3.5Å; D296-K302 PolarHBondContact OD2-NZ 3.11Å
297D92.4Very high93.7Very high35 Ų3560.3 Ų60.319%0.18729%0.291CS..  trans-65.3116.7175-171.6-24.5000108.6S224 T226 N233 R299 L300S224-D297 VanDerWaalsContact CB-OD1 3.23Å; S224-D297 WeakPolarHBondContact CB-OD1 3.43Å; S224-D297 PolarHBondContact OG-OD1 2.8Å; S224-D297 PolarHBondContact OG-OD2 3.38Å; T226-D297 WeakPolarHBondContact CG2-OD2 3.5Å; T226-D297 PolarHBondContact OG1-OD2 2.82Å; N233-D297 PolarHBondContact ND2-O 3.05Å; N233-D297 VanDerWaalsContact ND2-O 3.1Å; D297-R299 PolarHBondContact O-N 3.38Å; D297-R299 VanDerWaalsContact O-N 3.13Å; D297-R299 VanDerWaalsContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CB 3.24Å; D297-R299 PolarHBondContact OD1-N 2.9Å; D297-L300 HydrophobicContact CB-CB 4.46Å; D297-L300 HydrophobicContact CB-CD1 4.26Å; D297-L300 HydrophobicContact CB-CG 4.25Å; D297-L300 PolarHBondContact O-N 3.3Å; D297-L300 VanDerWaalsContact O-N 3.1Å
298P93.4Very high93.6Very high7 Ų760.8 Ų60.85%0.04529%0.294CS..THydrogen-bonded Turntrans-63.7-19.1-177.627.8-35.8000112.7K222 Y229 S232 N233 D296 L300 N319K222-P298 HydrophobicContact CD-CG 4.19Å; K222-P298 HydrophobicContact CG-CG 4.25Å; Y229-P298 HydrophobicContact CD1-CB 4.39Å; Y229-P298 HydrophobicContact CD1-CG 4.06Å; Y229-P298 HydrophobicContact CE1-CB 3.73Å; Y229-P298 HydrophobicContact CE1-CG 3.37Å; Y229-P298 HydrophobicContact CE2-CB 4.31Å; S232-P298 CarbonylContact C-O 3.55Å; S232-P298 VanDerWaalsContact CA-O 3.25Å; S232-P298 WeakPolarHBondContact CA-O 3.4Å; N233-P298 PolarHBondContact N-O 3.04Å; D296-P298 WeakPolarHBondContact O-CD 3.37Å; P298-L300 VanDerWaalsContact C-N 3.29Å; P298-L300 PolarHBondContact O-N 2.91Å; P298-N319 PolarHBondContact O-ND2 2.99Å
299R94Very high93.3Very high62 Ų6261.2 Ų61.223%0.23430%0.298CS..THydrogen-bonded Turntrans-73.5-19.4177.1-173.6170.966116.3-9.7113.4T226 E228 Y229 D297 D318 N319T226-R299 VanDerWaalsContact CB-NH2 3.35Å; T226-R299 PolarHBondContact O-NH2 3.32Å; T226-R299 PolarHBondContact OG1-NE 2.79Å; T226-R299 PolarHBondContact OG1-NH2 2.75Å; E228-R299 WeakPolarHBondContact O-CD 3.03Å; Y229-R299 HydrophobicContact CD1-CB 4.43Å; Y229-R299 HydrophobicContact CG-CB 4.46Å; D297-R299 PolarHBondContact O-N 3.38Å; D297-R299 VanDerWaalsContact O-N 3.13Å; D297-R299 VanDerWaalsContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CB 3.24Å; D297-R299 PolarHBondContact OD1-N 2.9Å; R299-D318 IonicContact CZ-OD2 2.7Å; R299-D318 IonicContact NE-OD2 3.65Å; R299-D318 IonicContact NH1-OD2 3.84Å; R299-D318 PolarHBondContact NH1-OD2 2.88Å; R299-N319 WeakPolarHBondContact O-CB 3.31Å; R299-N319 PolarHBondContact O-N 3.39Å; R299-N319 PolarHBondContact O-ND2 2.69Å; R299-N319 PolarHBondContact O-OD1 3.17Å
300L95Very high92.7Very high30 Ų3062.3 Ų62.316%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-116.1132-171.4-55.1-179.1000111.3N233 D297 P298 E316 V317 D318N233-L300 WeakPolarHBondContact CB-O 3.45Å; N233-L300 PolarHBondContact ND2-O 2.78Å; N233-L300 VanDerWaalsContact ND2-O 3.1Å; D297-L300 HydrophobicContact CB-CB 4.46Å; D297-L300 HydrophobicContact CB-CD1 4.26Å; D297-L300 HydrophobicContact CB-CG 4.25Å; D297-L300 PolarHBondContact O-N 3.3Å; D297-L300 VanDerWaalsContact O-N 3.1Å; P298-L300 VanDerWaalsContact C-N 3.29Å; P298-L300 PolarHBondContact O-N 2.91Å; L300-E316 HydrophobicContact CB-CB 4.32Å; L300-E316 HydrophobicContact CD1-CB 4.24Å; L300-E316 WeakPolarHBondContact CD1-OE2 3.29Å; L300-V317 WeakPolarHBondContact CA-O 3.45Å; L300-D318 HydrophobicContact CD2-CB 4.1Å
301S96.7Very high92.2Very high6 Ų662.9 Ų62.94%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-97.6131.3168.2-65.30000110.2M303 E316 V317 N319S301-M303 VanDerWaalsContact O-CE 3.24Å; S301-M303 WeakPolarHBondContact O-CE 3.26Å; S301-E316 WeakPolarHBondContact O-CA 3.47Å; S301-V317 PolarHBondContact N-O 3.21Å; S301-V317 PolarHBondContact O-N 3.23Å; S301-N319 PolarHBondContact N-OD1 3.33Å; S301-N319 VanDerWaalsContact N-OD1 3.15Å; S301-N319 PolarHBondContact OG-OD1 3.3Å
302K97.1Very high91.9Very high69 Ų6963.2 Ų63.230%0.334%0.336SS..EExtended strand (participates in β ladder)trans-83.4149.4-179.7-72.4173.2-178.9175.40112.1E289 D296 M315 E316E289-K302 HydrophobicContact CB-CB 3.69Å; E289-K302 WeakPolarHBondContact CB-O 3.43Å; E289-K302 HydrophobicContact CG-CB 4.16Å; E289-K302 PolarHBondContact N-O 2.84Å; D296-K302 IonicContact OD1-NZ 2.82Å; D296-K302 PolarHBondContact OD1-NZ 2.89Å; D296-K302 IonicContact OD2-NZ 3.5Å; D296-K302 PolarHBondContact OD2-NZ 3.11Å; K302-M315 CarbonylContact C-O 3.51Å; K302-M315 WeakPolarHBondContact CA-O 3.48Å; K302-E316 WeakPolarHBondContact CE-OE1 3.38Å; K302-E316 HydrophobicContact CG-CG 3.96Å
303M96.1Very high91.9Very high7 Ų765.4 Ų65.43%0.03435%0.348CS..EExtended strand (participates in β ladder)trans-115.7145.8177.3-55-61.1128.700109.9L282 V287 L288 S301 K305 V307 M315 V317 F322L282-M303 HydrophobicContact CD1-SD 4.07Å; V287-M303 HydrophobicContact CG1-CB 4.46Å; V287-M303 HydrophobicContact CG1-SD 4.49Å; V287-M303 CarbonylContact O-C 3.53Å; V287-M303 WeakPolarHBondContact O-CA 3.48Å; L288-M303 HydrophobicContact CD1-CE 3.4Å; L288-M303 HydrophobicContact CD1-SD 4.15Å; S301-M303 VanDerWaalsContact O-CE 3.24Å; S301-M303 WeakPolarHBondContact O-CE 3.26Å; M303-K305 VanDerWaalsContact C-N 3.27Å; M303-K305 VanDerWaalsContact CB-O 3.23Å; M303-K305 WeakPolarHBondContact CB-O 3.18Å; M303-V307 HydrophobicContact CB-CG1 4.41Å; M303-V307 HydrophobicContact CG-CG1 4.15Å; M303-V307 HydrophobicContact CG-CG2 3.9Å; M303-M315 PolarHBondContact N-O 3.15Å; M303-M315 WeakPolarHBondContact O-CE 3.47Å; M303-V317 HydrophobicContact CE-CB 4.13Å; M303-V317 HydrophobicContact CE-CG2 3.98Å; M303-V317 HydrophobicContact CG-CG2 4.05Å; M303-V317 HydrophobicContact SD-CG2 4.46Å; M303-F322 HydrophobicContact CE-CE2 4.16Å; M303-F322 HydrophobicContact CE-CZ 3.82Å
304R94.3Very high92Very high114 Ų11465.8 Ų65.843%0.4334%0.343SS..EExtended strand (participates in β ladder)trans-80.8-9.7174.4-59.7-167.8-172.7-90.46.6113.1G286 V287 E289 T290G286-R304 WeakPolarHBondContact O-CD 3.19Å; V287-R304 PolarHBondContact O-N 2.83Å; E289-R304 VanDerWaalsContact CD-CZ 3.41Å; E289-R304 VanDerWaalsContact CD-NH1 3.31Å; E289-R304 IonicContact OE1-CZ 3.89Å; E289-R304 IonicContact OE1-NE 2.64Å; E289-R304 IonicContact OE1-NH1 4Å; E289-R304 PolarHBondContact OE1-NH1 3.21Å; E289-R304 VanDerWaalsContact OE1-NH1 3.17Å; E289-R304 IonicContact OE1-NH2 3.82Å; E289-R304 PolarHBondContact OE1-NH2 3.35Å; E289-R304 IonicContact OE2-CZ 3.63Å; E289-R304 IonicContact OE2-NE 3.17Å; E289-R304 IonicContact OE2-NH1 2.69Å; E289-R304 PolarHBondContact OE2-NH1 2.66Å; E289-R304 IonicContact OE2-NH2 3.04Å; T290-R304 PolarHBondContact OG1-NH2 3.26Å
305K92.8Very high92.4Very high133 Ų13364.1 Ų64.158%0.57833%0.332SS*.EExtended strand (participates in β ladder)trans-144.2156.1179.1-63179.1-176.3168.60109.2V287 M303 V307V287-K305 HydrophobicContact CG1-CB 4.43Å; M303-K305 VanDerWaalsContact C-N 3.27Å; M303-K305 VanDerWaalsContact CB-O 3.23Å; M303-K305 WeakPolarHBondContact CB-O 3.18Å; K305-V307 PolarHBondContact O-N 2.78Å
306E92.4Very high92.7Very high117 Ų11758.6 Ų58.655%0.54731%0.31SS..EExtended strand (participates in β ladder)trans-64130.6178.1-169.8170.5-134.500110.7D313 M315E306-D313 HydrophobicContact CG-CB 3.83Å; E306-D313 VanDerWaalsContact OE1-CB 3.29Å; E306-D313 WeakPolarHBondContact OE1-CB 3.37Å; E306-M315 HydrophobicContact CB-SD 4.28Å; E306-M315 PolarHBondContact N-SD 3.49Å
307V93.2Very high92.9Very high1 Ų157.2 Ų57.21%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-126.4154.8175.9-55.80000109.2I118 V120 L282 V287 M303 K305 D313 T314 V317I118-V307 HydrophobicContact CB-CG1 4.1Å; I118-V307 HydrophobicContact CG2-CG1 4.24Å; I118-V307 CarbonylContact O-C 3.53Å; I118-V307 WeakPolarHBondContact O-CA 3.28Å; I118-V307 WeakPolarHBondContact O-CB 3.24Å; V120-V307 HydrophobicContact CG2-CB 4.12Å; V120-V307 HydrophobicContact CG2-CG2 4.04Å; L282-V307 HydrophobicContact CD2-CG1 4.43Å; V287-V307 HydrophobicContact CG1-CG1 4.26Å; M303-V307 HydrophobicContact CB-CG1 4.41Å; M303-V307 HydrophobicContact CG-CG1 4.15Å; M303-V307 HydrophobicContact CG-CG2 3.9Å; K305-V307 PolarHBondContact O-N 2.78Å; V307-D313 CarbonylContact O-C 3.46Å; V307-D313 WeakPolarHBondContact O-CA 3.3Å; V307-T314 HydrophobicContact CG2-CG2 4.18Å; V307-T314 PolarHBondContact N-O 3.29Å; V307-T314 PolarHBondContact O-N 3.29Å; V307-V317 HydrophobicContact CG2-CG2 3.6Å
308V92.2Very high92.9Very high14 Ų1457.1 Ų57.19%0.08530%0.302CS..EExtended strand (participates in β ladder)trans-94.3108.9172.8178.80000108.4Q117 I118 R119 V120 K312 D313Q117-V308 HydrophobicContact CB-CG2 4.03Å; Q117-V308 HydrophobicContact CG-CG2 4.45Å; I118-V308 PolarHBondContact O-N 2.81Å; R119-V308 WeakPolarHBondContact CA-O 3.31Å; R119-V308 HydrophobicContact CG-CB 4.07Å; R119-V308 HydrophobicContact CG-CG1 4.48Å; V120-V308 PolarHBondContact N-O 2.82Å; V308-K312 CarbonylContact C-O 3.53Å; V308-K312 WeakPolarHBondContact CA-O 3.48Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.38Å
309A90.4Very high93Very high12 Ų1256.9 Ų56.910%0.09930%0.3CS..EExtended strand (participates in β ladder)trans-122.3134.3173.700000109.9V120 G311 K312 T314 V317V120-A309 HydrophobicContact CB-CB 4.18Å; A309-G311 PolarHBondContact O-N 3.33Å; A309-G311 VanDerWaalsContact O-N 3.11Å; A309-K312 PolarHBondContact N-O 2.89Å; A309-K312 PolarHBondContact O-N 2.88Å; A309-K312 VanDerWaalsContact O-N 3.08Å; A309-K312 VanDerWaalsContact O-O 3.13Å; A309-T314 HydrophobicContact CB-CG2 3.8Å; A309-V317 HydrophobicContact CB-CG1 4.08Å; A309-V317 HydrophobicContact CB-CG2 3.97Å
310G84.7Confident92.9Very high59 Ų5956.2 Ų56.261%0.60830%0.301SS*.THydrogen-bonded Turntrans58.325.8-176.400000114.3K312G310-K312 VanDerWaalsContact C-N 3.33Å; G310-K312 PolarHBondContact O-N 3.45Å
311G85Confident92.8Very high72 Ų7256.8 Ų56.874%0.74230%0.303SS*.THydrogen-bonded Turntrans78.68.7-178.400000115.3A309A309-G311 PolarHBondContact O-N 3.33Å; A309-G311 VanDerWaalsContact O-N 3.11Å
312K88.6Confident92.8Very high158 Ų15856.5 Ų56.569%0.68730%0.301SS*.EExtended strand (participates in β ladder)trans-120.2143176.1-62.3178.9-176.5175.80110.3V308 A309 G310V308-K312 CarbonylContact C-O 3.53Å; V308-K312 WeakPolarHBondContact CA-O 3.48Å; A309-K312 PolarHBondContact N-O 2.89Å; A309-K312 PolarHBondContact O-N 2.88Å; A309-K312 VanDerWaalsContact O-N 3.08Å; A309-K312 VanDerWaalsContact O-O 3.13Å; G310-K312 VanDerWaalsContact C-N 3.33Å; G310-K312 PolarHBondContact O-N 3.45Å
313D91.9Very high92.7Very high84 Ų8454 Ų5445%0.44929%0.291SS..EExtended strand (participates in β ladder)trans-67.7128.6166.9-62.8-53.5000109.2Q117 E306 V307 V308Q117-D313 PolarHBondContact NE2-OD1 3.39Å; E306-D313 HydrophobicContact CG-CB 3.83Å; E306-D313 VanDerWaalsContact OE1-CB 3.29Å; E306-D313 WeakPolarHBondContact OE1-CB 3.37Å; V307-D313 CarbonylContact O-C 3.46Å; V307-D313 WeakPolarHBondContact O-CA 3.3Å; V308-D313 WeakPolarHBondContact CG2-OD1 3.38Å
314T94.4Very high92.7Very high42 Ų4253.7 Ų53.726%0.25829%0.289SS..EExtended strand (participates in β ladder)trans-151.8157.1-175.6-174.20000111.5V307 A309 E316 V317V307-T314 HydrophobicContact CG2-CG2 4.18Å; V307-T314 PolarHBondContact N-O 3.29Å; V307-T314 PolarHBondContact O-N 3.29Å; A309-T314 HydrophobicContact CB-CG2 3.8Å; T314-E316 WeakPolarHBondContact CG2-O 3.33Å; T314-E316 PolarHBondContact OG1-N 2.89Å; T314-E316 PolarHBondContact OG1-O 3.35Å; T314-V317 HydrophobicContact CG2-CG2 4.36Å
315M95.6Very high92.7Very high90 Ų9052.6 Ų52.644%0.44330%0.297SS..EExtended strand (participates in β ladder)trans-103.3-3.1169.3-65.9-70-76.300111.8K302 M303 E306K302-M315 CarbonylContact C-O 3.51Å; K302-M315 WeakPolarHBondContact CA-O 3.48Å; M303-M315 PolarHBondContact N-O 3.15Å; M303-M315 WeakPolarHBondContact O-CE 3.47Å; E306-M315 HydrophobicContact CB-SD 4.28Å; E306-M315 PolarHBondContact N-SD 3.49Å
316E95.4Very high92.8Very high89 Ų8946.8 Ų46.842%0.41627%0.272SS..EExtended strand (participates in β ladder)trans-131.4127.7-179.1-67.9-176.316300109.2L300 S301 K302 T314L300-E316 HydrophobicContact CB-CB 4.32Å; L300-E316 HydrophobicContact CD1-CB 4.24Å; L300-E316 WeakPolarHBondContact CD1-OE2 3.29Å; S301-E316 WeakPolarHBondContact O-CA 3.47Å; K302-E316 WeakPolarHBondContact CE-OE1 3.38Å; K302-E316 HydrophobicContact CG-CG 3.96Å; T314-E316 WeakPolarHBondContact CG2-O 3.33Å; T314-E316 PolarHBondContact OG1-N 2.89Å; T314-E316 PolarHBondContact OG1-O 3.35Å
317V95.4Very high92.8Very high1 Ų149 Ų491%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-116.9131.1-178.6-177.40000108.6V120 L300 S301 M303 V307 A309 T314 N319 F321 F322V120-V317 HydrophobicContact CG1-CG1 3.99Å; V120-V317 HydrophobicContact CG2-CG2 4.49Å; L300-V317 WeakPolarHBondContact CA-O 3.45Å; S301-V317 PolarHBondContact N-O 3.21Å; S301-V317 PolarHBondContact O-N 3.23Å; M303-V317 HydrophobicContact CE-CB 4.13Å; M303-V317 HydrophobicContact CE-CG2 3.98Å; M303-V317 HydrophobicContact CG-CG2 4.05Å; M303-V317 HydrophobicContact SD-CG2 4.46Å; V307-V317 HydrophobicContact CG2-CG2 3.6Å; A309-V317 HydrophobicContact CB-CG1 4.08Å; A309-V317 HydrophobicContact CB-CG2 3.97Å; T314-V317 HydrophobicContact CG2-CG2 4.36Å; V317-N319 PolarHBondContact O-N 3.1Å; V317-F321 HydrophobicContact CG1-CB 3.86Å; V317-F321 HydrophobicContact CG1-CD2 4.21Å; V317-F321 HydrophobicContact CG1-CG 4.17Å; V317-F322 HydrophobicContact CB-CE2 3.98Å; V317-F322 HydrophobicContact CB-CZ 3.7Å; V317-F322 HydrophobicContact CG1-CE1 4.1Å; V317-F322 HydrophobicContact CG1-CE2 3.88Å; V317-F322 HydrophobicContact CG1-CZ 3.51Å; V317-F322 HydrophobicContact CG2-CZ 4.25Å
318D93.4Very high92.7Very high33 Ų3352.5 Ų52.518%0.17630%0.298CS..EExtended strand (participates in β ladder)trans-61.3129.6172.9-170.9-55.2000109.9R299 L300 D320 F321R299-D318 IonicContact CZ-OD2 2.7Å; R299-D318 IonicContact NE-OD2 3.65Å; R299-D318 IonicContact NH1-OD2 3.84Å; R299-D318 PolarHBondContact NH1-OD2 2.88Å; L300-D318 HydrophobicContact CD2-CB 4.1Å; D318-D320 PolarHBondContact O-N 3.28Å; D318-D320 VanDerWaalsContact O-N 3.08Å; D318-D320 WeakPolarHBondContact OD1-CB 3.35Å; D318-D320 PolarHBondContact OD1-N 2.91Å; D318-F321 HydrophobicContact CB-CD2 4.05Å; D318-F321 HydrophobicContact CB-CE2 4.33Å; D318-F321 WeakPolarHBondContact O-CB 3.49Å; D318-F321 WeakPolarHBondContact O-CD2 3.1Å; D318-F321 PolarHBondContact O-N 2.8Å
319N95.1Very high92.6Very high1 Ų154.2 Ų54.21%0.00531%0.311CS..G310 helixtrans-56.9-28-174.1-68.3-15000112.7M231 N233 V236 P298 R299 S301 V317 F321 F322 L323M231-N319 PolarHBondContact O-ND2 2.81Å; N233-N319 PolarHBondContact N-ND2 2.7Å; V236-N319 HydrophobicContact CG2-CB 3.87Å; P298-N319 PolarHBondContact O-ND2 2.99Å; R299-N319 WeakPolarHBondContact O-CB 3.31Å; R299-N319 PolarHBondContact O-N 3.39Å; R299-N319 PolarHBondContact O-ND2 2.69Å; R299-N319 PolarHBondContact O-OD1 3.17Å; S301-N319 PolarHBondContact N-OD1 3.33Å; S301-N319 VanDerWaalsContact N-OD1 3.15Å; S301-N319 PolarHBondContact OG-OD1 3.3Å; V317-N319 PolarHBondContact O-N 3.1Å; N319-F321 PolarHBondContact O-N 2.75Å; N319-F321 VanDerWaalsContact O-N 3.12Å; N319-F322 WeakPolarHBondContact O-CA 3.4Å; N319-F322 WeakPolarHBondContact O-CB 3.47Å; N319-F322 PolarHBondContact O-N 2.69Å; N319-L323 WeakPolarHBondContact O-CG 3.47Å; N319-L323 PolarHBondContact O-N 3.45Å
320D91.4Very high92.6Very high48 Ų4858 Ų5826%0.25733%0.329SS..G310 helixtrans-63.7-16177.4-73.1-7.6000113.4R122 D318 F322R122-D320 PolarHBondContact NE-O 3.16Å; R122-D320 IonicContact NH2-OD2 3.06Å; D318-D320 PolarHBondContact O-N 3.28Å; D318-D320 VanDerWaalsContact O-N 3.08Å; D318-D320 WeakPolarHBondContact OD1-CB 3.35Å; D318-D320 PolarHBondContact OD1-N 2.91Å; D320-F322 PolarHBondContact O-N 3.32Å
321F93Very high92.7Very high42 Ų4256.6 Ų56.618%0.18431%0.307CS..G310 helixtrans-69.9-22.3169.5-79.9-94.2000112.6V120 R122 V317 D318 N319V120-F321 HydrophobicContact CG1-CB 4.03Å; V120-F321 HydrophobicContact CG1-CD1 4.48Å; R122-F321 HydrophobicContact CG-CD1 3.87Å; R122-F321 HydrophobicContact CG-CE1 4.29Å; R122-F321 HydrophobicContact CG-CG 4.32Å; V317-F321 HydrophobicContact CG1-CB 3.86Å; V317-F321 HydrophobicContact CG1-CD2 4.21Å; V317-F321 HydrophobicContact CG1-CG 4.17Å; D318-F321 HydrophobicContact CB-CD2 4.05Å; D318-F321 HydrophobicContact CB-CE2 4.33Å; D318-F321 WeakPolarHBondContact O-CB 3.49Å; D318-F321 WeakPolarHBondContact O-CD2 3.1Å; D318-F321 PolarHBondContact O-N 2.8Å; N319-F321 PolarHBondContact O-N 2.75Å; N319-F321 VanDerWaalsContact O-N 3.12Å
322F96.9Very high92.7Very high0 Ų056.4 Ų56.40%029%0.286CS..THydrogen-bonded Turntrans-97.4-14.1-177.3-55.2-45.5000113.6V120 V236 M275 S276 C279 L282 M303 V317 N319 D320V120-F322 HydrophobicContact CG1-CD1 4.29Å; V120-F322 HydrophobicContact CG1-CE1 3.6Å; V120-F322 HydrophobicContact CG1-CZ 4.33Å; V236-F322 HydrophobicContact CG1-CB 4.39Å; V236-F322 HydrophobicContact CG1-CD2 4.01Å; M275-F322 CarbonylContact C-O 3.56Å; M275-F322 WeakPolarHBondContact CA-O 3.3Å; S276-F322 PolarHBondContact N-O 3.09Å; S276-F322 WeakPolarHBondContact OG-CA 3.31Å; C279-F322 HydrophobicContact CB-CB 3.77Å; C279-F322 HydrophobicContact CB-CD1 3.43Å; C279-F322 VanDerWaalsContact CB-CD1 3.43Å; C279-F322 HydrophobicContact CB-CE1 4.15Å; C279-F322 HydrophobicContact CB-CG 3.71Å; C279-F322 VanDerWaalsContact SG-CG 3.53Å; L282-F322 HydrophobicContact CD1-CE1 3.82Å; L282-F322 HydrophobicContact CD1-CZ 4.11Å; M303-F322 HydrophobicContact CE-CE2 4.16Å; M303-F322 HydrophobicContact CE-CZ 3.82Å; V317-F322 HydrophobicContact CB-CE2 3.98Å; V317-F322 HydrophobicContact CB-CZ 3.7Å; V317-F322 HydrophobicContact CG1-CE1 4.1Å; V317-F322 HydrophobicContact CG1-CE2 3.88Å; V317-F322 HydrophobicContact CG1-CZ 3.51Å; V317-F322 HydrophobicContact CG2-CZ 4.25Å; N319-F322 WeakPolarHBondContact O-CA 3.4Å; N319-F322 WeakPolarHBondContact O-CB 3.47Å; N319-F322 PolarHBondContact O-N 2.69Å; D320-F322 PolarHBondContact O-N 3.32Å
323L94.7Very high91.9Very high17 Ų1750.2 Ų50.29%0.08926%0.262CS..EExtended strand (participates in β ladder)trans-91.2124-178-53.7-177.2000110.4T230 M231 V236 F273 M275 N319T230-L323 HydrophobicContact CG2-CD1 3.8Å; M231-L323 HydrophobicContact CB-CD1 3.91Å; M231-L323 HydrophobicContact CB-CD2 3.99Å; M231-L323 HydrophobicContact CE-CD2 3.85Å; M231-L323 HydrophobicContact SD-CD2 3.96Å; V236-L323 HydrophobicContact CG2-CD2 4.36Å; F273-L323 HydrophobicContact CD1-CB 3.99Å; F273-L323 HydrophobicContact CE1-CB 4.47Å; M275-L323 HydrophobicContact CE-CD2 3.38Å; M275-L323 HydrophobicContact SD-CD2 4.06Å; N319-L323 WeakPolarHBondContact O-CG 3.47Å; N319-L323 PolarHBondContact O-N 3.45Å
324V96.4Very high90.5Very high1 Ų155.4 Ų55.41%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-113.5108173.7-167.60000108Q123 P126 F273 Q274 V326Q123-V324 HydrophobicContact CB-CG2 3.8Å; Q123-V324 HydrophobicContact CG-CG1 4.46Å; Q123-V324 HydrophobicContact CG-CG2 4.07Å; P126-V324 HydrophobicContact CB-CG1 3.8Å; P126-V324 HydrophobicContact CG-CG1 4.29Å; F273-V324 CarbonylContact C-O 3.58Å; F273-V324 VanDerWaalsContact CA-O 3.32Å; F273-V324 WeakPolarHBondContact CA-O 3.39Å; Q274-V324 HydrophobicContact CB-CB 4.4Å; Q274-V324 PolarHBondContact N-O 2.86Å; Q274-V324 WeakPolarHBondContact O-CB 3.42Å; Q274-V324 PolarHBondContact O-N 2.79Å; V324-V326 PolarHBondContact O-N 3.49Å
325P94Very high88.6Confident91 Ų9157.4 Ų57.459%0.59129%0.29SS*.EExtended strand (participates in β ladder)trans-60.3136.8-178.2-23.933.8000112.1P126 F273P126-P325 WeakPolarHBondContact CG-O 3.45Å; F273-P325 HydrophobicContact CD1-CG 4.46Å; F273-P325 HydrophobicContact CE1-CB 4.44Å; F273-P325 HydrophobicContact CE1-CG 4.29Å
326V94.8Very high86.3Confident11 Ų1162.2 Ų62.27%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-113.6135.4177.6179.50000108.5P126 C128 A131 A272 Q274 V324P126-V326 HydrophobicContact CB-CG2 3.85Å; P126-V326 HydrophobicContact CG-CG2 4.22Å; C128-V326 HydrophobicContact CB-CG1 4.5Å; A131-V326 HydrophobicContact CB-CG1 4Å; A272-V326 HydrophobicContact CB-CB 3.96Å; A272-V326 HydrophobicContact CB-CG1 4.43Å; A272-V326 PolarHBondContact O-N 2.83Å; Q274-V326 HydrophobicContact CB-CG2 3.99Å; V324-V326 PolarHBondContact O-N 3.49Å
327K92.7Very high83.7Confident163 Ų16364 Ų6471%0.70932%0.315SS*.EExtended strand (participates in β ladder)trans-64.6136.1176.5-67.3178-178.8173.90109.8A130 A131A130-K327 CarbonylContact C-O 3.48Å; A130-K327 VanDerWaalsContact CA-O 3.24Å; A130-K327 WeakPolarHBondContact CA-O 3.5Å; A130-K327 HydrophobicContact CB-CB 4.14Å; A131-K327 PolarHBondContact N-O 3Å
328I91.4Very high81.1Confident75 Ų7568 Ų6839%0.38534%0.341SS..EExtended strand (participates in β ladder)trans-101.6138.2175.7-65.4170.8000109.8A131 F133 F270 A272A131-I328 WeakPolarHBondContact O-CA 3.11Å; F133-I328 HydrophobicContact CD2-CG2 4.11Å; F133-I328 HydrophobicContact CE2-CG1 4.38Å; F133-I328 HydrophobicContact CE2-CG2 4.36Å; F270-I328 HydrophobicContact CB-CD1 4.03Å; F270-I328 WeakPolarHBondContact O-CD1 3.36Å; A272-I328 HydrophobicContact CB-CD1 3.8Å; A272-I328 HydrophobicContact CB-CG1 3.56Å
329S90.3Very high78.6Confident50 Ų5071.4 Ų71.435%0.3536%0.363SS..EExtended strand (participates in β ladder)trans-132.8175.4163.761.80000109.6A131 S132 F133A131-S329 PolarHBondContact O-N 2.9Å; S132-S329 VanDerWaalsContact CA-O 3.28Å; S132-S329 WeakPolarHBondContact CA-O 3.27Å; S132-S329 WeakPolarHBondContact CA-OG 3.27Å; S132-S329 VanDerWaalsContact CB-OG 3.22Å; S132-S329 WeakPolarHBondContact CB-OG 3.38Å; S132-S329 PolarHBondContact OG-OG 2.86Å; F133-S329 PolarHBondContact N-O 2.92Å
330D88.9Confident75.8Confident90 Ų9075.2 Ų75.248%0.48138%0.383SS..EExtended strand (participates in β ladder)trans-121.1160.5170.271.149.7000111.3S132 F133 R135S132-D330 PolarHBondContact OG-O 2.81Å; F133-D330 VanDerWaalsContact O-CA 3.32Å; F133-D330 WeakPolarHBondContact O-CA 3.31Å; R135-D330 HydrophobicContact CG-CB 3.96Å; R135-D330 IonicContact CZ-OD1 2.67Å; R135-D330 VanDerWaalsContact CZ-OD1 3.27Å; R135-D330 VanDerWaalsContact NE-CG 3.29Å; R135-D330 IonicContact NE-OD1 3.52Å; R135-D330 PolarHBondContact NE-OD1 3.22Å; R135-D330 IonicContact NE-OD2 3.47Å; R135-D330 IonicContact NH2-OD1 3.48Å; R135-D330 PolarHBondContact NH2-OD1 3.31Å
331H88.4Confident73.6Confident30 Ų3074.4 Ų74.414%0.13938%0.379CS..EExtended strand (participates in β ladder)trans-143.1170166.264.3-76000109.5S132 F133 D134 R135 V172 D173 V333S132-H331 PolarHBondContact O-CE1 3.01Å; S132-H331 PolarHBondContact O-ND1 3.01Å; S132-H331 PolarHBondContact OG-ND1 3.18Å; F133-H331 PolarHBondContact O-N 3.01Å; D134-H331 WeakPolarHBondContact CA-O 3.34Å; D134-H331 PolarHBondContact N-CE1 3.32Å; D134-H331 VanDerWaalsContact N-CE1 3.28Å; R135-H331 PolarHBondContact N-O 2.96Å; V172-H331 PolarHBondContact O-CE1 2.63Å; V172-H331 VanDerWaalsContact O-CE1 3.24Å; D173-H331 IonicContact OD1-NE2 3.55Å; D173-H331 PolarHBondContact OD1-NE2 2.97Å; H331-V333 WeakPolarHBondContact NE2-CG2 3.37Å
332Q84.7Confident71.2Confident68 Ų6878.1 Ų78.132%0.31840%0.396SS..  trans-118.6117.5173.5-175.272.444.700107.9D136 F334D136-Q332 PolarHBondContact OD2-NE2 3.03Å; Q332-F334 PolarHBondContact O-N 2.64Å
333V72Confident68.4Low29 Ų2980.8 Ų80.818%0.17642%0.415CS..  trans-79.3118.1173.5-167.40000108.8D134 D173 H331 L335D134-V333 HydrophobicContact CB-CG2 3.92Å; D134-V333 WeakPolarHBondContact OD1-CG2 3.25Å; D134-V333 PolarHBondContact OD1-N 2.82Å; D173-V333 HydrophobicContact CB-CG2 4.16Å; D173-V333 WeakPolarHBondContact OD1-CG2 3.33Å; H331-V333 WeakPolarHBondContact NE2-CG2 3.37Å; V333-L335 HydrophobicContact CB-CG 4.33Å; V333-L335 HydrophobicContact CG1-CD1 4.38Å; V333-L335 HydrophobicContact CG1-CD2 3.75Å; V333-L335 HydrophobicContact CG1-CG 3.53Å; V333-L335 PolarHBondContact O-N 2.88Å
334F62.5Low66Low192 Ų19283.5 Ų83.584%0.84243%0.429SS*.  trans-7868.3166-77.9-85.1000109.6Q332 F336Q332-F334 PolarHBondContact O-N 2.64Å; F334-F336 PolarHBondContact O-N 3.17Å
335L54.4Low63.6Low85 Ų8585.2 Ų85.245%0.44544%0.437SS..  trans-73123163.8-67-178.9000107.3V333 F337 L341V333-L335 HydrophobicContact CB-CG 4.33Å; V333-L335 HydrophobicContact CG1-CD1 4.38Å; V333-L335 HydrophobicContact CG1-CD2 3.75Å; V333-L335 HydrophobicContact CG1-CG 3.53Å; V333-L335 PolarHBondContact O-N 2.88Å; L335-F337 PolarHBondContact O-N 3.46Å; L335-L341 HydrophobicContact CD1-CD2 4.39Å
336F46.1Very low61.1Low191 Ų19185.5 Ų85.584%0.83843%0.434SS*.SBendtrans-57.8-6.6176.4-96-91.3000113.8F334F334-F336 PolarHBondContact O-N 3.17Å
337F41.5Very low58.3Low126 Ų12690.4 Ų90.455%0.55346%0.459SS*.  trans-152.381.7178.3-58.9-83.2000113.1L335 T339 L340L335-F337 PolarHBondContact O-N 3.46Å; F337-T339 PolarHBondContact O-N 2.78Å; F337-L340 HydrophobicContact CB-CB 3.68Å; F337-L340 HydrophobicContact CB-CD1 3.53Å; F337-L340 HydrophobicContact CB-CG 4.16Å; F337-L340 HydrophobicContact CD1-CD1 3.66Å; F337-L340 HydrophobicContact CD2-CD1 4.03Å; F337-L340 HydrophobicContact CE1-CD1 4.36Å; F337-L340 HydrophobicContact CG-CD1 3.46Å; F337-L340 VanDerWaalsContact CG-CD1 3.46Å; F337-L340 PolarHBondContact O-N 3.02Å; F337-L340 VanDerWaalsContact O-N 3.11Å
338P40Very low55.8Low84 Ų8488 Ų8855%0.54545%0.45SS..Hα-helixtrans-61.1-27.4176.722.3-31.3000112.9
339T40.8Very low53.4Low106 Ų10688.5 Ų88.565%0.6545%0.45SS*.Hα-helixtrans-75.7-25.4176.851.60000113.6F337 S343F337-T339 PolarHBondContact O-N 2.78Å; T339-S343 WeakPolarHBondContact O-CB 3.17Å; T339-S343 PolarHBondContact O-N 3.17Å
340L37.6Very low50.8Low80 Ų8091.7 Ų91.742%0.41947%0.467SS..Hα-helixtrans-75.1-34-178.5-103.3147000112.1F337 S343 I344F337-L340 HydrophobicContact CB-CB 3.68Å; F337-L340 HydrophobicContact CB-CD1 3.53Å; F337-L340 HydrophobicContact CB-CG 4.16Å; F337-L340 HydrophobicContact CD1-CD1 3.66Å; F337-L340 HydrophobicContact CD2-CD1 4.03Å; F337-L340 HydrophobicContact CE1-CD1 4.36Å; F337-L340 HydrophobicContact CG-CD1 3.46Å; F337-L340 VanDerWaalsContact CG-CD1 3.46Å; F337-L340 PolarHBondContact O-N 3.02Å; F337-L340 VanDerWaalsContact O-N 3.11Å; L340-S343 PolarHBondContact O-N 2.83Å; L340-I344 HydrophobicContact CB-CD1 4.44Å; L340-I344 HydrophobicContact CD2-CD1 3.72Å; L340-I344 HydrophobicContact CD2-CG1 4.07Å; L340-I344 WeakPolarHBondContact O-CB 3.4Å; L340-I344 WeakPolarHBondContact O-CD1 3.43Å; L340-I344 WeakPolarHBondContact O-CG1 3.3Å; L340-I344 PolarHBondContact O-N 3.04Å
341L44.1Very low47.9Very low32 Ų3299.5 Ų99.517%0.16850%0.497CS..Hα-helixtrans-69.9-46.8176.7-160.170.6000110.7F174 L206 L335 S343 I344 M345F174-L341 HydrophobicContact CB-CD2 3.98Å; F174-L341 HydrophobicContact CD1-CD2 4.19Å; F174-L341 HydrophobicContact CG-CD2 4.03Å; L206-L341 HydrophobicContact CD1-CD1 4.37Å; L335-L341 HydrophobicContact CD1-CD2 4.39Å; L341-S343 VanDerWaalsContact C-N 3.29Å; L341-S343 PolarHBondContact O-N 3.23Å; L341-I344 PolarHBondContact O-N 3.2Å; L341-M345 HydrophobicContact CG-SD 4.28Å; L341-M345 VanDerWaalsContact O-CB 3.31Å; L341-M345 WeakPolarHBondContact O-CB 3.31Å; L341-M345 VanDerWaalsContact O-CG 3.26Å; L341-M345 WeakPolarHBondContact O-CG 3.37Å; L341-M345 PolarHBondContact O-N 3.08Å
342H42.3Very low45.9Very low119 Ų119103 Ų10355%0.55152%0.515SS*.Hα-helixtrans-58.3-39.7172.5-97.985.8000112.5N346H342-N346 VanDerWaalsContact O-CB 3.24Å; H342-N346 WeakPolarHBondContact O-CB 3.45Å; H342-N346 PolarHBondContact O-N 3.07Å; H342-N346 PolarHBondContact O-ND2 2.65Å
343S39.1Very low43.9Very low56 Ų56104.8 Ų104.839%0.39253%0.525SS..Hα-helixtrans-78.3-37.3-179.4-168.80000112.9T339 L340 L341 M345 L347T339-S343 WeakPolarHBondContact O-CB 3.17Å; T339-S343 PolarHBondContact O-N 3.17Å; L340-S343 PolarHBondContact O-N 2.83Å; L341-S343 VanDerWaalsContact C-N 3.29Å; L341-S343 PolarHBondContact O-N 3.23Å; S343-M345 VanDerWaalsContact C-N 3.34Å; S343-L347 VanDerWaalsContact O-CB 3.23Å; S343-L347 WeakPolarHBondContact O-CB 3.47Å; S343-L347 WeakPolarHBondContact O-CD1 3.44Å; S343-L347 PolarHBondContact O-N 3.26Å; S343-L347 WeakPolarHBondContact OG-CD1 3.32Å
344I44.4Very low42.3Very low74 Ų74109.1 Ų109.138%0.37955%0.545SS..Hα-helixtrans-66-40.5175-72.6165.1000110.3L340 L341 Q348L340-I344 HydrophobicContact CB-CD1 4.44Å; L340-I344 HydrophobicContact CD2-CD1 3.72Å; L340-I344 HydrophobicContact CD2-CG1 4.07Å; L340-I344 WeakPolarHBondContact O-CB 3.4Å; L340-I344 WeakPolarHBondContact O-CD1 3.43Å; L340-I344 WeakPolarHBondContact O-CG1 3.3Å; L340-I344 PolarHBondContact O-N 3.04Å; L341-I344 PolarHBondContact O-N 3.2Å; I344-Q348 WeakPolarHBondContact O-CG 3.44Å; I344-Q348 PolarHBondContact O-N 3.14Å
345M44.5Very low41.1Very low38 Ų38104.2 Ų104.219%0.18753%0.527CS..Hα-helixtrans-65.9-56.3174.4-69.2-174.777.300109.6Y176 L341 S343 L347 Q348 F349Y176-M345 HydrophobicContact CD2-CE 3.49Å; Y176-M345 VanDerWaalsContact CD2-CE 3.49Å; Y176-M345 HydrophobicContact CE2-CE 4.41Å; Y176-M345 HydrophobicContact CG-CE 4.18Å; L341-M345 HydrophobicContact CG-SD 4.28Å; L341-M345 VanDerWaalsContact O-CB 3.31Å; L341-M345 WeakPolarHBondContact O-CB 3.31Å; L341-M345 VanDerWaalsContact O-CG 3.26Å; L341-M345 WeakPolarHBondContact O-CG 3.37Å; L341-M345 PolarHBondContact O-N 3.08Å; S343-M345 VanDerWaalsContact C-N 3.34Å; M345-L347 PolarHBondContact O-N 2.85Å; M345-Q348 PolarHBondContact O-N 3Å; M345-Q348 VanDerWaalsContact O-N 3.14Å; M345-F349 HydrophobicContact CB-CD2 4.3Å; M345-F349 HydrophobicContact CB-CE2 3.85Å; M345-F349 HydrophobicContact CE-CE2 4.31Å; M345-F349 WeakPolarHBondContact O-CD2 3.22Å; M345-F349 VanDerWaalsContact O-CE2 3.3Å; M345-F349 WeakPolarHBondContact O-CE2 3.45Å; M345-F349 WeakPolarHBondContact O-CG 3.35Å; M345-F349 PolarHBondContact O-N 2.89Å
346N42.1Very low40.3Very low97 Ų97105.4 Ų105.452%0.51953%0.532SS..Hα-helixtrans-62.6-34-179.5-78.5-28.2000114.9H342 Q348 F349 T350H342-N346 VanDerWaalsContact O-CB 3.24Å; H342-N346 WeakPolarHBondContact O-CB 3.45Å; H342-N346 PolarHBondContact O-N 3.07Å; H342-N346 PolarHBondContact O-ND2 2.65Å; N346-Q348 VanDerWaalsContact C-N 3.32Å; N346-Q348 PolarHBondContact O-N 3.08Å; N346-F349 PolarHBondContact O-N 2.8Å; N346-T350 PolarHBondContact O-N 3.01Å; N346-T350 PolarHBondContact O-OG1 3.37Å
347L35.8Very low39.9Very low114 Ų11499.7 Ų99.760%0.59751%0.512SS*.Hα-helixtrans-71.6-24177.2-95.497.3000113.6S343 M345S343-L347 VanDerWaalsContact O-CB 3.23Å; S343-L347 WeakPolarHBondContact O-CB 3.47Å; S343-L347 WeakPolarHBondContact O-CD1 3.44Å; S343-L347 PolarHBondContact O-N 3.26Å; S343-L347 WeakPolarHBondContact OG-CD1 3.32Å; M345-L347 PolarHBondContact O-N 2.85Å
348Q40.6Very low39.8Very low112 Ų11297.8 Ų97.852%0.52351%0.509SS..Hα-helixtrans-80.7-20.5172.2-72.2-88-59.800111.8I344 M345 N346I344-Q348 WeakPolarHBondContact O-CG 3.44Å; I344-Q348 PolarHBondContact O-N 3.14Å; M345-Q348 PolarHBondContact O-N 3Å; M345-Q348 VanDerWaalsContact O-N 3.14Å; N346-Q348 VanDerWaalsContact C-N 3.32Å; N346-Q348 PolarHBondContact O-N 3.08Å
349F42.3Very low39.8Very low85 Ų8598.8 Ų98.837%0.37351%0.506SS..SBendtrans-97.51.8-175.9-61.2-50.6000115.2Y176 E195 M345 N346Y176-F349 HydrophobicContact CD2-CZ 4.49Å; Y176-F349 HydrophobicContact CE2-CE1 4.48Å; Y176-F349 HydrophobicContact CE2-CE2 4.34Å; Y176-F349 AromaticContact CE2-CZ 3.75Å; Y176-F349 HydrophobicContact CE2-CZ 3.75Å; E195-F349 HydrophobicContact CG-CE1 3.72Å; E195-F349 HydrophobicContact CG-CZ 4.45Å; E195-F349 WeakPolarHBondContact OE1-CD1 3.47Å; E195-F349 WeakPolarHBondContact OE1-CE1 3.4Å; M345-F349 HydrophobicContact CB-CD2 4.3Å; M345-F349 HydrophobicContact CB-CE2 3.85Å; M345-F349 HydrophobicContact CE-CE2 4.31Å; M345-F349 WeakPolarHBondContact O-CD2 3.22Å; M345-F349 VanDerWaalsContact O-CE2 3.3Å; M345-F349 WeakPolarHBondContact O-CE2 3.45Å; M345-F349 WeakPolarHBondContact O-CG 3.35Å; M345-F349 PolarHBondContact O-N 2.89Å; N346-F349 PolarHBondContact O-N 2.8Å
350T34.6Very low39.7Very low117 Ų11798.3 Ų98.372%0.71849%0.494SS*.  trans-119.228.2176.856.80000114.6N346N346-T350 PolarHBondContact O-N 3.01Å; N346-T350 PolarHBondContact O-OG1 3.37Å
351K28.7Very low39.9Very low255 Ų25599.9 Ų99.9100%1.10950%0.501SS*.  trans-1320170.2-82.8-170.6176.9-1800111.3

Retrieved 351 of 351 residues in 1397.5 ms (Link to these results)

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