A0A061I6Z1_CRIGR Loading...

DNA-damage inducible 1

AlphaFold DB , UniProt , Accession A0A061I6Z1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ddi1, Length 401 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
1M90.7Very high91.1Very high21 Ų2145.7 Ų45.710%0.10321%0.213CC..  0130.5060.6-179.2177.100109I3 V21 S22 P23 L61 L66 D68M1-I3 HydrophobicContact CE-CD1 3.52Å; M1-I3 HydrophobicContact CG-CD1 4.1Å; M1-I3 HydrophobicContact CG-CG1 4.2Å; M1-I3 HydrophobicContact SD-CD1 3.89Å; M1-I3 HydrophobicContact SD-CG1 4.32Å; M1-V21 HydrophobicContact CE-CG2 4.09Å; M1-V21 HydrophobicContact CG-CG2 4.07Å; M1-V21 VanDerWaalsContact CG-O 3.3Å; M1-V21 WeakPolarHBondContact CG-O 3.4Å; M1-V21 PolarHBondContact N-O 2.81Å; M1-V21 PolarHBondContact O-N 3.39Å; M1-V21 VanDerWaalsContact O-O 3.06Å; M1-S22 WeakPolarHBondContact CE-O 3.35Å; M1-P23 HydrophobicContact SD-CG 4.45Å; M1-L61 HydrophobicContact CE-CB 3.25Å; M1-L61 HydrophobicContact CE-CD1 3.84Å; M1-L61 HydrophobicContact CE-CG 4.2Å; M1-L66 HydrophobicContact CE-CB 4.3Å; M1-L66 HydrophobicContact SD-CB 4.34Å; M1-D68 WeakPolarHBondContact CA-OD1 3.12Å; M1-D68 HydrophobicContact CB-CB 4.12Å
2L92.7Very high90.1Very high71 Ų7153.5 Ų53.537%0.37226%0.256SS..EExtended strand (participates in β ladder)trans-84.6112.2172-173.866.3000108.3D68 G69L2-D68 PolarHBondContact N-OD1 3.11Å; L2-G69 WeakPolarHBondContact O-CA 3.27Å; L2-G69 PolarHBondContact O-N 2.7Å
3I94.2Very high89.7Confident0 Ų053.5 Ų53.50%026%0.262CS..EExtended strand (participates in β ladder)trans-106.1131.6176.3-68.7171.2000108.8M1 V5 S18 L19 V21 F30 L61 L66 D70 V72M1-I3 HydrophobicContact CE-CD1 3.52Å; M1-I3 HydrophobicContact CG-CD1 4.1Å; M1-I3 HydrophobicContact CG-CG1 4.2Å; M1-I3 HydrophobicContact SD-CD1 3.89Å; M1-I3 HydrophobicContact SD-CG1 4.32Å; I3-V5 HydrophobicContact CG2-CG2 4.33Å; I3-S18 CarbonylContact O-C 3.57Å; I3-S18 WeakPolarHBondContact O-CA 3.41Å; I3-L19 PolarHBondContact N-O 2.87Å; I3-L19 PolarHBondContact O-N 3.06Å; I3-V21 HydrophobicContact CD1-CG2 3.74Å; I3-V21 HydrophobicContact CG1-CG2 4.38Å; I3-F30 HydrophobicContact CG2-CZ 3.92Å; I3-L61 HydrophobicContact CD1-CD1 3.83Å; I3-L66 HydrophobicContact CD1-CB 4.19Å; I3-L66 HydrophobicContact CD1-CD2 3.46Å; I3-L66 VanDerWaalsContact CD1-CD2 3.46Å; I3-L66 HydrophobicContact CD1-CG 4.48Å; I3-L66 HydrophobicContact CG1-CD2 4.3Å; I3-L66 HydrophobicContact CG2-CD2 4.45Å; I3-D70 WeakPolarHBondContact CA-O 3.48Å; I3-V72 HydrophobicContact CG2-CB 4.27Å; I3-V72 HydrophobicContact CG2-CG2 3.65Å
4T94.9Very high89.7Confident30 Ų3058.3 Ų58.318%0.18428%0.283CS..EExtended strand (participates in β ladder)trans-92.9122.7172.3-58.90000109.6T16 S18 D70 M71 V72T4-T16 HydrophobicContact CG2-CG2 3.57Å; T4-S18 PolarHBondContact OG1-OG 3.43Å; T4-D70 PolarHBondContact N-O 2.88Å; T4-M71 HydrophobicContact CG2-CE 4.28Å; T4-M71 HydrophobicContact CG2-CG 4.48Å; T4-M71 CarbonylContact O-C 3.58Å; T4-M71 WeakPolarHBondContact O-CA 3.49Å; T4-V72 PolarHBondContact O-N 2.88Å
5V95.5Very high89.8Confident0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans-101.9119177.7-1760000108.7I3 T16 F17 L19 F30 V72 L74I3-V5 HydrophobicContact CG2-CG2 4.33Å; V5-T16 WeakPolarHBondContact O-CA 3.49Å; V5-F17 HydrophobicContact CB-CD2 4.12Å; V5-F17 HydrophobicContact CB-CE1 4.25Å; V5-F17 HydrophobicContact CB-CE2 3.68Å; V5-F17 HydrophobicContact CB-CZ 3.76Å; V5-F17 HydrophobicContact CG1-CE1 4.12Å; V5-F17 HydrophobicContact CG1-CE2 4.05Å; V5-F17 HydrophobicContact CG1-CZ 3.63Å; V5-F17 HydrophobicContact CG2-CD2 4.49Å; V5-F17 HydrophobicContact CG2-CE2 3.96Å; V5-F17 HydrophobicContact CG2-CZ 4.4Å; V5-F17 PolarHBondContact N-O 3.17Å; V5-F17 PolarHBondContact O-N 3.31Å; V5-F17 VanDerWaalsContact O-N 3.09Å; V5-L19 HydrophobicContact CG2-CD1 4.33Å; V5-F30 HydrophobicContact CG2-CE1 4.31Å; V5-F30 HydrophobicContact CG2-CE2 4.46Å; V5-F30 HydrophobicContact CG2-CZ 3.62Å; V5-V72 CarbonylContact C-O 3.59Å; V5-V72 WeakPolarHBondContact CA-O 3.31Å; V5-L74 HydrophobicContact CG1-CB 3.6Å; V5-L74 HydrophobicContact CG1-CD1 3.96Å; V5-L74 HydrophobicContact CG1-CG 4.45Å
6Y95.1Very high90Very high51 Ų5158.3 Ų58.320%0.230%0.296CS..EExtended strand (participates in β ladder)trans-98102.3171.1177.4-109.5000108.8V8 E14 T16 V72 V73 L74Y6-V8 HydrophobicContact CD1-CG2 3.92Å; Y6-V8 HydrophobicContact CE1-CG2 3.41Å; Y6-V8 VanDerWaalsContact CE1-CG2 3.41Å; Y6-E14 HydrophobicContact CE2-CB 4.21Å; Y6-E14 HydrophobicContact CE2-CG 4.43Å; Y6-E14 WeakPolarHBondContact CE2-OE2 3.17Å; Y6-E14 PolarHBondContact OH-OE1 3.17Å; Y6-E14 VanDerWaalsContact OH-OE1 3.12Å; Y6-E14 PolarHBondContact OH-OE2 3.38Å; Y6-T16 WeakPolarHBondContact CD2-OG1 2.83Å; Y6-V72 PolarHBondContact N-O 3.39Å; Y6-V73 HydrophobicContact CD1-CG1 4.21Å; Y6-V73 HydrophobicContact CD1-CG2 4.34Å; Y6-V73 CarbonylContact O-C 3.59Å; Y6-V73 WeakPolarHBondContact O-CA 3.45Å; Y6-L74 PolarHBondContact O-N 3.05Å
7C93.3Very high90.3Very high0 Ų056.4 Ų56.40%029%0.286CS..EExtended strand (participates in β ladder)trans-91.7125-178.1174.50000110.9E14 A15 F17 L74C7-E14 CarbonylContact O-C 3.52Å; C7-E14 WeakPolarHBondContact O-CA 3.46Å; C7-A15 WeakPolarHBondContact CA-O 3.42Å; C7-A15 HydrophobicContact CB-CB 4.35Å; C7-A15 VanDerWaalsContact CB-O 3.31Å; C7-A15 WeakPolarHBondContact CB-O 3.47Å; C7-A15 PolarHBondContact N-O 3.33Å; C7-A15 PolarHBondContact O-N 3.32Å; C7-F17 HydrophobicContact CB-CE1 4.05Å; C7-L74 CarbonylContact C-O 3.54Å; C7-L74 WeakPolarHBondContact CA-O 3.38Å; C7-L74 HydrophobicContact CB-CB 4.2Å; C7-L74 HydrophobicContact CB-CD1 4.35Å; C7-L74 HydrophobicContact CB-CD2 4.38Å
8V89.9Confident90.5Very high29 Ų2957.2 Ų57.218%0.17630%0.297CS..EExtended strand (participates in β ladder)trans-112.8113.9170.1-173.40000108.3Y6 L74 L75 Q76Y6-V8 HydrophobicContact CD1-CG2 3.92Å; Y6-V8 HydrophobicContact CE1-CG2 3.41Å; Y6-V8 VanDerWaalsContact CE1-CG2 3.41Å; V8-L74 PolarHBondContact N-O 2.87Å; V8-L75 HydrophobicContact CB-CD2 3.91Å; V8-L75 HydrophobicContact CG2-CD2 4.19Å; V8-Q76 PolarHBondContact O-N 3.12Å; V8-Q76 VanDerWaalsContact O-N 3.15Å
9R88.6Confident90.6Very high90 Ų9055 Ų5534%0.3429%0.286SS..  trans-84.1167.8178.1-61.4-170.8-176.9149-3.3111.2D11 L12 T13 S38 V40R9-D11 VanDerWaalsContact C-N 3.29Å; R9-D11 WeakPolarHBondContact CB-OD1 3.11Å; R9-D11 PolarHBondContact O-N 2.71Å; R9-L12 WeakPolarHBondContact O-CA 3.38Å; R9-L12 PolarHBondContact O-N 2.7Å; R9-T13 WeakPolarHBondContact CD-OG1 3.48Å; R9-T13 PolarHBondContact N-O 2.81Å; R9-S38 VanDerWaalsContact CZ-O 3.3Å; R9-S38 PolarHBondContact NE-O 2.73Å; R9-S38 VanDerWaalsContact NE-O 3.12Å; R9-S38 PolarHBondContact NH2-O 3.27Å; R9-V40 HydrophobicContact CG-CG2 4.04Å
10R83.9Confident90.8Very high103 Ų10359.1 Ų59.139%0.38930%0.303SS..THydrogen-bonded Turntrans-59.6-35-178.4-72.2177.7-171.5154.3-0.7114.4L12 E44 Q76 K77 D78R10-L12 PolarHBondContact O-N 3.46Å; R10-E44 IonicContact CZ-OE1 3.41Å; R10-E44 IonicContact CZ-OE2 2.76Å; R10-E44 IonicContact NH1-OE1 2.91Å; R10-E44 IonicContact NH1-OE2 3.85Å; R10-E44 IonicContact NH2-OE1 2.87Å; R10-E44 PolarHBondContact NH2-OE1 2.87Å; R10-E44 IonicContact NH2-OE2 3.82Å; R10-E44 PolarHBondContact NH2-OE2 2.76Å; R10-Q76 HydrophobicContact CG-CB 4.19Å; R10-Q76 HydrophobicContact CG-CG 3.77Å; R10-Q76 VanDerWaalsContact N-OE1 3.15Å; R10-K77 VanDerWaalsContact CZ-O 3.31Å; R10-K77 PolarHBondContact NE-O 2.95Å; R10-K77 VanDerWaalsContact NE-O 3.08Å; R10-K77 PolarHBondContact NH2-O 2.92Å; R10-D78 WeakPolarHBondContact CD-OD1 3.46Å; R10-D78 IonicContact NE-OD1 2.74Å; R10-D78 PolarHBondContact NE-OD1 3.1Å
11D82.9Confident90.9Very high108 Ų10856.8 Ų56.858%0.57829%0.292SS*.THydrogen-bonded Turntrans-7912.1177.863.8-10.7000112.7R9 T13R9-D11 VanDerWaalsContact C-N 3.29Å; R9-D11 WeakPolarHBondContact CB-OD1 3.11Å; R9-D11 PolarHBondContact O-N 2.71Å; D11-T13 VanDerWaalsContact CG-CG2 3.44Å; D11-T13 PolarHBondContact O-N 3.45Å; D11-T13 VanDerWaalsContact OD1-CB 3.3Å; D11-T13 WeakPolarHBondContact OD1-CB 3.46Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.34Å; D11-T13 PolarHBondContact OD1-N 3.34Å; D11-T13 PolarHBondContact OD1-OG1 3.12Å; D11-T13 VanDerWaalsContact OD2-CG2 3.24Å; D11-T13 WeakPolarHBondContact OD2-CG2 3.25Å; D11-T13 PolarHBondContact OD2-OG1 2.95Å
12L79.8Confident90.9Very high139 Ų13958.5 Ų58.573%0.72831%0.306SS*.SBendtrans62.316.8-174.8-51174.5000113.1R9 R10R9-L12 WeakPolarHBondContact O-CA 3.38Å; R9-L12 PolarHBondContact O-N 2.7Å; R10-L12 PolarHBondContact O-N 3.46Å
13T84.8Confident90.7Very high54 Ų5458.1 Ų58.133%0.33131%0.308SS..  trans-74.5138.2168.561.40000109.8R9 D11R9-T13 WeakPolarHBondContact CD-OG1 3.48Å; R9-T13 PolarHBondContact N-O 2.81Å; D11-T13 VanDerWaalsContact CG-CG2 3.44Å; D11-T13 PolarHBondContact O-N 3.45Å; D11-T13 VanDerWaalsContact OD1-CB 3.3Å; D11-T13 WeakPolarHBondContact OD1-CB 3.46Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.34Å; D11-T13 PolarHBondContact OD1-N 3.34Å; D11-T13 PolarHBondContact OD1-OG1 3.12Å; D11-T13 VanDerWaalsContact OD2-CG2 3.24Å; D11-T13 WeakPolarHBondContact OD2-CG2 3.25Å; D11-T13 PolarHBondContact OD2-OG1 2.95Å
14E90.1Very high90.5Very high120 Ų12064.2 Ų64.256%0.56134%0.341SS*.EExtended strand (participates in β ladder)trans-112138.1-175.9-59.7177.2-170.800109.3Y6 C7Y6-E14 HydrophobicContact CE2-CB 4.21Å; Y6-E14 HydrophobicContact CE2-CG 4.43Å; Y6-E14 WeakPolarHBondContact CE2-OE2 3.17Å; Y6-E14 PolarHBondContact OH-OE1 3.17Å; Y6-E14 VanDerWaalsContact OH-OE1 3.12Å; Y6-E14 PolarHBondContact OH-OE2 3.38Å; C7-E14 CarbonylContact O-C 3.52Å; C7-E14 WeakPolarHBondContact O-CA 3.46Å
15A90.3Very high90.4Very high29 Ų2965.5 Ų65.524%0.2434%0.344CS..EExtended strand (participates in β ladder)trans-137.5135.5174.300000109.4C7C7-A15 WeakPolarHBondContact CA-O 3.42Å; C7-A15 HydrophobicContact CB-CB 4.35Å; C7-A15 VanDerWaalsContact CB-O 3.31Å; C7-A15 WeakPolarHBondContact CB-O 3.47Å; C7-A15 PolarHBondContact N-O 3.33Å; C7-A15 PolarHBondContact O-N 3.32Å
16T93.9Very high90.3Very high88 Ų8869 Ų6954%0.5436%0.36SS..EExtended strand (participates in β ladder)trans-121.6128.6177.3-52.90000109.2T4 V5 Y6T4-T16 HydrophobicContact CG2-CG2 3.57Å; V5-T16 WeakPolarHBondContact O-CA 3.49Å; Y6-T16 WeakPolarHBondContact CD2-OG1 2.83Å
17F94.6Very high90Very high26 Ų2666.6 Ų66.611%0.11435%0.351CS..EExtended strand (participates in β ladder)trans-142.7157.8176.855.3-88000110V5 C7 L19 C34 E37 L74V5-F17 HydrophobicContact CB-CD2 4.12Å; V5-F17 HydrophobicContact CB-CE1 4.25Å; V5-F17 HydrophobicContact CB-CE2 3.68Å; V5-F17 HydrophobicContact CB-CZ 3.76Å; V5-F17 HydrophobicContact CG1-CE1 4.12Å; V5-F17 HydrophobicContact CG1-CE2 4.05Å; V5-F17 HydrophobicContact CG1-CZ 3.63Å; V5-F17 HydrophobicContact CG2-CD2 4.49Å; V5-F17 HydrophobicContact CG2-CE2 3.96Å; V5-F17 HydrophobicContact CG2-CZ 4.4Å; V5-F17 PolarHBondContact N-O 3.17Å; V5-F17 PolarHBondContact O-N 3.31Å; V5-F17 VanDerWaalsContact O-N 3.09Å; C7-F17 HydrophobicContact CB-CE1 4.05Å; F17-L19 HydrophobicContact CD2-CD1 4.39Å; F17-L19 HydrophobicContact CD2-CD2 4.3Å; F17-L19 HydrophobicContact CD2-CG 3.99Å; F17-L19 HydrophobicContact CE2-CD1 3.91Å; F17-L19 HydrophobicContact CE2-CD2 4.5Å; F17-L19 HydrophobicContact CE2-CG 4.03Å; F17-C34 HydrophobicContact CE2-CB 4.45Å; F17-C34 HydrophobicContact CZ-CB 4.2Å; F17-E37 HydrophobicContact CD1-CB 4.18Å; F17-E37 HydrophobicContact CD2-CB 3.58Å; F17-E37 HydrophobicContact CD2-CG 3.93Å; F17-E37 HydrophobicContact CE1-CB 4.17Å; F17-E37 HydrophobicContact CE2-CB 3.55Å; F17-E37 HydrophobicContact CE2-CG 4.11Å; F17-E37 HydrophobicContact CG-CB 3.91Å; F17-E37 HydrophobicContact CZ-CB 3.86Å; F17-L74 HydrophobicContact CZ-CD1 4.34Å
18S94.4Very high89.9Confident70 Ų7068.2 Ų68.249%0.4936%0.361SS..EExtended strand (participates in β ladder)trans-115.6132.3-179.4-56.20000110.4I3 T4I3-S18 CarbonylContact O-C 3.57Å; I3-S18 WeakPolarHBondContact O-CA 3.41Å; T4-S18 PolarHBondContact OG1-OG 3.43Å
19L92.6Very high90Very high16 Ų1670.6 Ų70.68%0.08437%0.373CS..EExtended strand (participates in β ladder)trans-114.4127.3179.2-67.8178.6000110.2I3 V5 F17 V21 F30 L33 C34 E37I3-L19 PolarHBondContact N-O 2.87Å; I3-L19 PolarHBondContact O-N 3.06Å; V5-L19 HydrophobicContact CG2-CD1 4.33Å; F17-L19 HydrophobicContact CD2-CD1 4.39Å; F17-L19 HydrophobicContact CD2-CD2 4.3Å; F17-L19 HydrophobicContact CD2-CG 3.99Å; F17-L19 HydrophobicContact CE2-CD1 3.91Å; F17-L19 HydrophobicContact CE2-CD2 4.5Å; F17-L19 HydrophobicContact CE2-CG 4.03Å; L19-V21 HydrophobicContact CB-CG1 4.21Å; L19-F30 HydrophobicContact CB-CE2 4.25Å; L19-F30 HydrophobicContact CD1-CD2 4.22Å; L19-F30 HydrophobicContact CD1-CE2 3.67Å; L19-F30 HydrophobicContact CD1-CZ 4.27Å; L19-L33 HydrophobicContact CD1-CB 3.94Å; L19-C34 VanDerWaalsContact CD1-SG 3.57Å; L19-E37 HydrophobicContact CD2-CG 3.97Å
20Q93.4Very high90.2Very high137 Ų13766.3 Ų66.364%0.6436%0.357SS*.EExtended strand (participates in β ladder)trans-87.8107.4171-170.868.722.600109.1
21V92.4Very high90.6Very high10 Ų1063.3 Ų63.36%0.06135%0.345CS..  trans-130160-177.3-62.60000112M1 I3 L19 F25 F30 L33 L61M1-V21 HydrophobicContact CE-CG2 4.09Å; M1-V21 HydrophobicContact CG-CG2 4.07Å; M1-V21 VanDerWaalsContact CG-O 3.3Å; M1-V21 WeakPolarHBondContact CG-O 3.4Å; M1-V21 PolarHBondContact N-O 2.81Å; M1-V21 PolarHBondContact O-N 3.39Å; M1-V21 VanDerWaalsContact O-O 3.06Å; I3-V21 HydrophobicContact CD1-CG2 3.74Å; I3-V21 HydrophobicContact CG1-CG2 4.38Å; L19-V21 HydrophobicContact CB-CG1 4.21Å; V21-F25 HydrophobicContact CB-CB 4.23Å; V21-F25 HydrophobicContact CB-CD1 4.13Å; V21-F25 HydrophobicContact CB-CG 4.11Å; V21-F25 HydrophobicContact CG1-CD1 4.09Å; V21-F25 HydrophobicContact CG1-CE1 4.15Å; V21-F25 HydrophobicContact CG1-CG 4.48Å; V21-F30 HydrophobicContact CG1-CD2 4.17Å; V21-F30 HydrophobicContact CG1-CE2 4.35Å; V21-F30 HydrophobicContact CG2-CD2 4.48Å; V21-F30 HydrophobicContact CG2-CE2 4.38Å; V21-L33 HydrophobicContact CG1-CD1 3.92Å; V21-L61 HydrophobicContact CG2-CD1 3.76Å
22S91.3Very high91Very high58 Ų5862.1 Ų62.141%0.40634%0.342SS..  trans-74.7149.1174.3-175.40000111.2M1 D24 F25M1-S22 WeakPolarHBondContact CE-O 3.35Å; S22-D24 PolarHBondContact O-N 3.08Å; S22-D24 PolarHBondContact OG-N 3.21Å; S22-F25 WeakPolarHBondContact O-CB 3.48Å; S22-F25 PolarHBondContact O-N 3.02Å
23P88.1Confident91.6Very high62 Ų6258.5 Ų58.540%0.40332%0.323SS..THydrogen-bonded Turntrans-53.8-33.5168.2-26.436.6000113.7M1 F25 G62M1-P23 HydrophobicContact SD-CG 4.45Å; P23-F25 PolarHBondContact O-N 3.31Å; P23-G62 WeakPolarHBondContact O-CA 3.43Å; P23-G62 PolarHBondContact O-N 2.9Å
24D91.2Very high91.9Very high129 Ų12956 Ų5669%0.6931%0.308SS*.THydrogen-bonded Turntrans-83.45.8179.8-55.7-37.6000113.1S22 E26S22-D24 PolarHBondContact O-N 3.08Å; S22-D24 PolarHBondContact OG-N 3.21Å; D24-E26 PolarHBondContact O-N 2.8Å
25F91.8Very high92Very high57 Ų5753.8 Ų53.825%0.2530%0.297CS..  trans-69127.7-178.2-154.2-108.6000110.3V21 S22 P23 N29 F30 L33 S60 L61V21-F25 HydrophobicContact CB-CB 4.23Å; V21-F25 HydrophobicContact CB-CD1 4.13Å; V21-F25 HydrophobicContact CB-CG 4.11Å; V21-F25 HydrophobicContact CG1-CD1 4.09Å; V21-F25 HydrophobicContact CG1-CE1 4.15Å; V21-F25 HydrophobicContact CG1-CG 4.48Å; S22-F25 WeakPolarHBondContact O-CB 3.48Å; S22-F25 PolarHBondContact O-N 3.02Å; P23-F25 PolarHBondContact O-N 3.31Å; F25-N29 HydrophobicContact CD1-CB 4.21Å; F25-N29 VanDerWaalsContact CE1-C 3.47Å; F25-N29 HydrophobicContact CE1-CB 3.58Å; F25-N29 HydrophobicContact CE2-CB 4.29Å; F25-N29 HydrophobicContact CZ-CB 3.62Å; F25-F30 HydrophobicContact CD1-CB 4.03Å; F25-F30 HydrophobicContact CD1-CD2 4.44Å; F25-F30 HydrophobicContact CE1-CB 4.2Å; F25-L33 HydrophobicContact CE1-CD1 3.6Å; F25-L33 HydrophobicContact CE1-CG 4.38Å; F25-L33 HydrophobicContact CZ-CD1 3.58Å; F25-L33 HydrophobicContact CZ-CG 4.34Å; F25-S60 CarbonylContact O-C 3.49Å; F25-S60 WeakPolarHBondContact O-CA 3.21Å; F25-L61 HydrophobicContact CB-CD1 4.22Å; F25-L61 HydrophobicContact CD1-CD1 4.34Å; F25-L61 WeakPolarHBondContact O-CG 3.13Å; F25-L61 PolarHBondContact O-N 3.23Å
26E93Very high91.9Very high74 Ų7459.1 Ų59.135%0.34632%0.321SS..BIsolated β-bridgetrans-72.9147179.4-66.7-176.4-165.500111.8D24 C28 N29 F30 H58D24-E26 PolarHBondContact O-N 2.8Å; E26-C28 VanDerWaalsContact C-N 3.26Å; E26-C28 PolarHBondContact O-N 2.71Å; E26-C28 PolarHBondContact OE2-SG 2.95Å; E26-C28 VanDerWaalsContact OE2-SG 3.39Å; E26-N29 PolarHBondContact O-N 2.82Å; E26-F30 PolarHBondContact O-N 3.47Å; E26-F30 VanDerWaalsContact O-N 3.08Å; E26-H58 IonicContact OE2-ND1 3.47Å
27L90.5Very high91.7Very high0 Ų060.1 Ų60.10%032%0.32CS..Hα-helixtrans-59.4-34.3179.6-173.870.5000112.7N29 F30 R31 F47 L54 D56 D57 C59 L61 Y64L27-N29 PolarHBondContact O-N 3.5Å; L27-F30 HydrophobicContact CD1-CD1 4.42Å; L27-F30 WeakPolarHBondContact O-CB 3.45Å; L27-F30 PolarHBondContact O-N 2.83Å; L27-R31 WeakPolarHBondContact O-CB 3.33Å; L27-R31 PolarHBondContact O-N 3.15Å; L27-F47 HydrophobicContact CD1-CD2 3.67Å; L27-F47 HydrophobicContact CD1-CE2 4.21Å; L27-F47 HydrophobicContact CD1-CG 4.39Å; L27-F47 HydrophobicContact CG-CD2 4.4Å; L27-L54 HydrophobicContact CD1-CB 3.85Å; L27-L54 HydrophobicContact CD1-CD1 3.88Å; L27-L54 HydrophobicContact CD2-CB 3.64Å; L27-L54 HydrophobicContact CG-CB 4.42Å; L27-D56 WeakPolarHBondContact CD2-O 3.3Å; L27-D57 PolarHBondContact N-O 3.39Å; L27-C59 PolarHBondContact N-O 3.22Å; L27-C59 VanDerWaalsContact N-O 3.12Å; L27-L61 HydrophobicContact CD1-CD2 3.88Å; L27-Y64 HydrophobicContact CB-CE2 4.46Å; L27-Y64 HydrophobicContact CD2-CE2 4.1Å
28C90.9Very high91.4Very high33 Ų3358.9 Ų58.922%0.22331%0.314CS..Hα-helixtrans-60-43.3176640000112.8E26 R31 V32 D57E26-C28 VanDerWaalsContact C-N 3.26Å; E26-C28 PolarHBondContact O-N 2.71Å; E26-C28 PolarHBondContact OE2-SG 2.95Å; E26-C28 VanDerWaalsContact OE2-SG 3.39Å; C28-R31 WeakPolarHBondContact O-CB 3.43Å; C28-R31 PolarHBondContact O-N 3.2Å; C28-V32 PolarHBondContact O-N 2.86Å; C28-D57 HydrophobicContact CB-CB 4.02Å; C28-D57 WeakPolarHBondContact CB-O 3.39Å; C28-D57 PolarHBondContact N-O 2.58Å; C28-D57 PolarHBondContact SG-O 2.89Å
29N90.7Very high91Very high79 Ų7958.5 Ų58.542%0.42232%0.321SS..Hα-helixtrans-73.4-34.8179-65.8-44.6000110.6F25 E26 L27 R31 V32 L33F25-N29 HydrophobicContact CD1-CB 4.21Å; F25-N29 VanDerWaalsContact CE1-C 3.47Å; F25-N29 HydrophobicContact CE1-CB 3.58Å; F25-N29 HydrophobicContact CE2-CB 4.29Å; F25-N29 HydrophobicContact CZ-CB 3.62Å; E26-N29 PolarHBondContact O-N 2.82Å; L27-N29 PolarHBondContact O-N 3.5Å; N29-R31 VanDerWaalsContact C-N 3.29Å; N29-R31 PolarHBondContact O-N 2.8Å; N29-V32 PolarHBondContact O-N 3.2Å; N29-L33 PolarHBondContact O-N 3.13Å
30F93.4Very high90.8Very high0 Ų057.8 Ų57.80%032%0.318CS..Hα-helixtrans-62.5-37.9175-170-116.6000112.3I3 V5 L19 V21 F25 E26 L27 L33 C34 F47 L61I3-F30 HydrophobicContact CG2-CZ 3.92Å; V5-F30 HydrophobicContact CG2-CE1 4.31Å; V5-F30 HydrophobicContact CG2-CE2 4.46Å; V5-F30 HydrophobicContact CG2-CZ 3.62Å; L19-F30 HydrophobicContact CB-CE2 4.25Å; L19-F30 HydrophobicContact CD1-CD2 4.22Å; L19-F30 HydrophobicContact CD1-CE2 3.67Å; L19-F30 HydrophobicContact CD1-CZ 4.27Å; V21-F30 HydrophobicContact CG1-CD2 4.17Å; V21-F30 HydrophobicContact CG1-CE2 4.35Å; V21-F30 HydrophobicContact CG2-CD2 4.48Å; V21-F30 HydrophobicContact CG2-CE2 4.38Å; F25-F30 HydrophobicContact CD1-CB 4.03Å; F25-F30 HydrophobicContact CD1-CD2 4.44Å; F25-F30 HydrophobicContact CE1-CB 4.2Å; E26-F30 PolarHBondContact O-N 3.47Å; E26-F30 VanDerWaalsContact O-N 3.08Å; L27-F30 HydrophobicContact CD1-CD1 4.42Å; L27-F30 WeakPolarHBondContact O-CB 3.45Å; L27-F30 PolarHBondContact O-N 2.83Å; F30-L33 PolarHBondContact O-N 3.41Å; F30-C34 PolarHBondContact O-N 2.83Å; F30-C34 PolarHBondContact O-SG 3.09Å; F30-F47 HydrophobicContact CD1-CD1 4.36Å; F30-F47 HydrophobicContact CD1-CD2 4.29Å; F30-F47 AromaticContact CD1-CE1 3.87Å; F30-F47 HydrophobicContact CD1-CE1 3.87Å; F30-F47 AromaticContact CD1-CE2 3.78Å; F30-F47 HydrophobicContact CD1-CE2 3.78Å; F30-F47 AromaticContact CD1-CZ 3.53Å; F30-F47 HydrophobicContact CD1-CZ 3.53Å; F30-F47 HydrophobicContact CE1-CD1 4.02Å; F30-F47 AromaticContact CE1-CE1 3.62Å; F30-F47 HydrophobicContact CE1-CE1 3.62Å; F30-F47 HydrophobicContact CE1-CE2 4.36Å; F30-F47 AromaticContact CE1-CZ 3.79Å; F30-F47 HydrophobicContact CE1-CZ 3.79Å; F30-F47 HydrophobicContact CG-CZ 4.49Å; F30-L61 HydrophobicContact CB-CD1 4.1Å; F30-L61 HydrophobicContact CB-CD2 4.29Å; F30-L61 HydrophobicContact CD1-CD1 4.33Å; F30-L61 HydrophobicContact CD1-CD2 4.01Å; F30-L61 HydrophobicContact CD2-CD1 3.66Å; F30-L61 HydrophobicContact CE2-CD1 4.12Å; F30-L61 HydrophobicContact CG-CD1 3.77Å; F30-L61 HydrophobicContact CG-CD2 4.12Å; F30-L61 HydrophobicContact CG-CG 4.49Å
31R92.7Very high90.6Very high40 Ų4053.8 Ų53.815%0.15130%0.303CS..Hα-helixtrans-60.3-43.9175-167.5-172.4-77.6-93.70.5112.4L27 C28 N29 C34 E35 A42 I45 F47 D57L27-R31 WeakPolarHBondContact O-CB 3.33Å; L27-R31 PolarHBondContact O-N 3.15Å; C28-R31 WeakPolarHBondContact O-CB 3.43Å; C28-R31 PolarHBondContact O-N 3.2Å; N29-R31 VanDerWaalsContact C-N 3.29Å; N29-R31 PolarHBondContact O-N 2.8Å; R31-C34 PolarHBondContact O-N 3.27Å; R31-E35 PolarHBondContact O-N 2.93Å; R31-A42 WeakPolarHBondContact CD-O 3.31Å; R31-A42 HydrophobicContact CG-CB 3.75Å; R31-A42 PolarHBondContact NH1-O 2.83Å; R31-I45 HydrophobicContact CG-CB 4.09Å; R31-I45 HydrophobicContact CG-CD1 4.28Å; R31-I45 HydrophobicContact CG-CG2 4.17Å; R31-I45 PolarHBondContact NH1-O 3.07Å; R31-F47 HydrophobicContact CB-CE2 3.92Å; R31-F47 HydrophobicContact CG-CE2 4.24Å; R31-D57 IonicContact CZ-OD1 2.75Å; R31-D57 IonicContact NE-OD1 3.63Å; R31-D57 PolarHBondContact NE-OD1 3.06Å; R31-D57 IonicContact NH2-OD1 3.76Å; R31-D57 PolarHBondContact NH2-OD1 3.34Å; R31-D57 VanDerWaalsContact NH2-OD1 3.09Å
32V91.6Very high90.4Very high84 Ų8454 Ų5451%0.50931%0.307SS..Hα-helixtrans-66-41.5177.9177.20000111.6C28 N29 C34 E35 L36C28-V32 PolarHBondContact O-N 2.86Å; N29-V32 PolarHBondContact O-N 3.2Å; V32-C34 VanDerWaalsContact C-N 3.3Å; V32-C34 PolarHBondContact O-N 3.11Å; V32-E35 WeakPolarHBondContact O-CB 3.46Å; V32-E35 PolarHBondContact O-N 3.41Å; V32-L36 PolarHBondContact O-N 3.26Å
33L90.9Very high90.1Very high63 Ų6358.1 Ų58.133%0.3332%0.319SS..Hα-helixtrans-62.4-40.8174.8-69.9-178.9000111.7L19 V21 F25 N29 F30 E35 L36 E37L19-L33 HydrophobicContact CD1-CB 3.94Å; V21-L33 HydrophobicContact CG1-CD1 3.92Å; F25-L33 HydrophobicContact CE1-CD1 3.6Å; F25-L33 HydrophobicContact CE1-CG 4.38Å; F25-L33 HydrophobicContact CZ-CD1 3.58Å; F25-L33 HydrophobicContact CZ-CG 4.34Å; N29-L33 PolarHBondContact O-N 3.13Å; F30-L33 PolarHBondContact O-N 3.41Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-L36 PolarHBondContact O-N 3.14Å; L33-E37 PolarHBondContact O-N 2.68Å
34C91.1Very high90.1Very high0 Ų056.3 Ų56.30%031%0.305CS..Hα-helixtrans-69.4-31.7177.2-68.10000112.8F17 L19 F30 R31 V32 E37 S38 I45 F47 L74F17-C34 HydrophobicContact CE2-CB 4.45Å; F17-C34 HydrophobicContact CZ-CB 4.2Å; L19-C34 VanDerWaalsContact CD1-SG 3.57Å; F30-C34 PolarHBondContact O-N 2.83Å; F30-C34 PolarHBondContact O-SG 3.09Å; R31-C34 PolarHBondContact O-N 3.27Å; V32-C34 VanDerWaalsContact C-N 3.3Å; V32-C34 PolarHBondContact O-N 3.11Å; C34-E37 PolarHBondContact O-N 2.66Å; C34-S38 WeakPolarHBondContact O-CB 3.47Å; C34-S38 PolarHBondContact O-N 2.85Å; C34-S38 PolarHBondContact O-OG 3.49Å; C34-I45 HydrophobicContact CB-CD1 4.06Å; C34-F47 HydrophobicContact CB-CE1 4.11Å; C34-F47 HydrophobicContact CB-CZ 3.78Å; C34-F47 VanDerWaalsContact SG-CZ 3.53Å; C34-L74 HydrophobicContact CB-CD1 3.65Å
35E92.3Very high90.1Very high75 Ų7550.2 Ų50.235%0.3527%0.273SS..Hα-helixtrans-61.2-44.2172.5169.6172.4-15200111.5R31 V32 L33 E37 G39 V40 P41 A42 I45R31-E35 PolarHBondContact O-N 2.93Å; V32-E35 WeakPolarHBondContact O-CB 3.46Å; V32-E35 PolarHBondContact O-N 3.41Å; L33-E35 VanDerWaalsContact C-N 3.35Å; E35-E37 PolarHBondContact O-N 2.91Å; E35-G39 WeakPolarHBondContact O-CA 3.42Å; E35-G39 PolarHBondContact O-N 3.07Å; E35-V40 VanDerWaalsContact CA-O 3.31Å; E35-V40 WeakPolarHBondContact CA-O 3.37Å; E35-V40 WeakPolarHBondContact CB-O 3.48Å; E35-V40 WeakPolarHBondContact CG-O 3.27Å; E35-P41 WeakPolarHBondContact OE1-CA 3.41Å; E35-A42 HydrophobicContact CB-CB 4.35Å; E35-A42 VanDerWaalsContact CD-N 3.3Å; E35-A42 PolarHBondContact OE1-N 2.87Å; E35-A42 WeakPolarHBondContact OE2-CB 3.24Å; E35-A42 PolarHBondContact OE2-N 3.09Å; E35-I45 HydrophobicContact CB-CD1 4.21Å
36L88.8Confident90.2Very high140 Ų14050.9 Ų50.973%0.73328%0.277SS*.Hα-helixtrans-61.9-42.6178.8-175.964.1000112.5V32 L33V32-L36 PolarHBondContact O-N 3.26Å; L33-L36 PolarHBondContact O-N 3.14Å
37E89.7Confident90.2Very high110 Ų11047.3 Ų47.351%0.51426%0.26SS..Hα-helixtrans-81.6-38.6-177.7-66.7-62.8158.200113.1F17 L19 L33 C34 E35F17-E37 HydrophobicContact CD1-CB 4.18Å; F17-E37 HydrophobicContact CD2-CB 3.58Å; F17-E37 HydrophobicContact CD2-CG 3.93Å; F17-E37 HydrophobicContact CE1-CB 4.17Å; F17-E37 HydrophobicContact CE2-CB 3.55Å; F17-E37 HydrophobicContact CE2-CG 4.11Å; F17-E37 HydrophobicContact CG-CB 3.91Å; F17-E37 HydrophobicContact CZ-CB 3.86Å; L19-E37 HydrophobicContact CD2-CG 3.97Å; L33-E37 PolarHBondContact O-N 2.68Å; C34-E37 PolarHBondContact O-N 2.66Å; E35-E37 PolarHBondContact O-N 2.91Å
38S88Confident90.3Very high0 Ų049.2 Ų49.20%027%0.272CS..Hα-helixtrans-90-17.6-175.471.70000113.8R9 C34 V40R9-S38 VanDerWaalsContact CZ-O 3.3Å; R9-S38 PolarHBondContact NE-O 2.73Å; R9-S38 VanDerWaalsContact NE-O 3.12Å; R9-S38 PolarHBondContact NH2-O 3.27Å; C34-S38 WeakPolarHBondContact O-CB 3.47Å; C34-S38 PolarHBondContact O-N 2.85Å; C34-S38 PolarHBondContact O-OG 3.49Å; S38-V40 PolarHBondContact O-N 2.8Å; S38-V40 WeakPolarHBondContact OG-CB 3.44Å; S38-V40 PolarHBondContact OG-N 3.12Å
39G86.8Confident90.3Very high62 Ų6248.2 Ų48.264%0.63926%0.263SS*.  trans66.69.6-171.300000114.2E35E35-G39 WeakPolarHBondContact O-CA 3.42Å; E35-G39 PolarHBondContact O-N 3.07Å
40V88.5Confident90.1Very high1 Ų151.1 Ų51.11%0.00628%0.276CS..  trans-90.4126.3175.7179.10000108.9R9 E35 S38 A42 E44 I45 Q76R9-V40 HydrophobicContact CG-CG2 4.04Å; E35-V40 VanDerWaalsContact CA-O 3.31Å; E35-V40 WeakPolarHBondContact CA-O 3.37Å; E35-V40 WeakPolarHBondContact CB-O 3.48Å; E35-V40 WeakPolarHBondContact CG-O 3.27Å; S38-V40 PolarHBondContact O-N 2.8Å; S38-V40 WeakPolarHBondContact OG-CB 3.44Å; S38-V40 PolarHBondContact OG-N 3.12Å; V40-A42 PolarHBondContact O-N 3.03Å; V40-E44 HydrophobicContact CG1-CB 4.07Å; V40-I45 HydrophobicContact CB-CG1 4.14Å; V40-I45 HydrophobicContact CG1-CG1 3.76Å; V40-Q76 HydrophobicContact CG1-CB 3.83Å; V40-Q76 HydrophobicContact CG1-CG 3.53Å; V40-Q76 HydrophobicContact CG2-CB 4.31Å; V40-Q76 HydrophobicContact CG2-CG 4.44Å
41P89.8Confident89.5Confident52 Ų5260.4 Ų60.434%0.33832%0.319SS..  trans-56.5137.1-180-23.832.4000112E35 E43 E44 I45E35-P41 WeakPolarHBondContact OE1-CA 3.41Å; P41-E43 PolarHBondContact O-N 3.12Å; P41-E43 VanDerWaalsContact O-N 3.08Å; P41-E44 HydrophobicContact CB-CG 4.13Å; P41-E44 HydrophobicContact CG-CG 4.35Å; P41-E44 WeakPolarHBondContact O-CA 3.3Å; P41-E44 WeakPolarHBondContact O-CB 3.29Å; P41-E44 PolarHBondContact O-N 2.85Å; P41-I45 PolarHBondContact O-N 3.15Å
42A87.1Confident89.2Confident16 Ų1664.8 Ų64.813%0.13234%0.341CS..G310 helixtrans-53.2-37.3-176.400000113.2R31 E35 V40 E44 I45R31-A42 WeakPolarHBondContact CD-O 3.31Å; R31-A42 HydrophobicContact CG-CB 3.75Å; R31-A42 PolarHBondContact NH1-O 2.83Å; E35-A42 HydrophobicContact CB-CB 4.35Å; E35-A42 VanDerWaalsContact CD-N 3.3Å; E35-A42 PolarHBondContact OE1-N 2.87Å; E35-A42 WeakPolarHBondContact OE2-CB 3.24Å; E35-A42 PolarHBondContact OE2-N 3.09Å; V40-A42 PolarHBondContact O-N 3.03Å; A42-E44 PolarHBondContact O-N 3.14Å; A42-I45 PolarHBondContact O-N 3.09Å
43E85.2Confident89Confident144 Ų14464.5 Ų64.567%0.67334%0.337SS*.G310 helixtrans-61.1-26.8177-62.1-173.8-176.700112.9P41 K77P41-E43 PolarHBondContact O-N 3.12Å; P41-E43 VanDerWaalsContact O-N 3.08Å; E43-K77 WeakPolarHBondContact O-CE 3.33Å; E43-K77 PolarHBondContact O-NZ 3.03Å
44E89Confident89Confident23 Ų2361.7 Ų61.711%0.10732%0.322CS..G310 helixtrans-93.4-8.9-178-57.3-170.6158.500113.5R10 V40 P41 A42 Q76 K77 N79R10-E44 IonicContact CZ-OE1 3.41Å; R10-E44 IonicContact CZ-OE2 2.76Å; R10-E44 IonicContact NH1-OE1 2.91Å; R10-E44 IonicContact NH1-OE2 3.85Å; R10-E44 IonicContact NH2-OE1 2.87Å; R10-E44 PolarHBondContact NH2-OE1 2.87Å; R10-E44 IonicContact NH2-OE2 3.82Å; R10-E44 PolarHBondContact NH2-OE2 2.76Å; V40-E44 HydrophobicContact CG1-CB 4.07Å; P41-E44 HydrophobicContact CB-CG 4.13Å; P41-E44 HydrophobicContact CG-CG 4.35Å; P41-E44 WeakPolarHBondContact O-CA 3.3Å; P41-E44 WeakPolarHBondContact O-CB 3.29Å; P41-E44 PolarHBondContact O-N 2.85Å; A42-E44 PolarHBondContact O-N 3.14Å; E44-Q76 HydrophobicContact CB-CG 4.17Å; E44-Q76 WeakPolarHBondContact O-CA 3.47Å; E44-Q76 PolarHBondContact OE2-NE2 3.19Å; E44-K77 WeakPolarHBondContact O-CG 3.37Å; E44-K77 PolarHBondContact O-N 3.27Å; E44-N79 HydrophobicContact CG-CB 4.34Å
45I91.1Very high88.9Confident1 Ų166.3 Ų66.31%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-78.1136.4-177.4-69177.4000111.6R31 C34 E35 V40 P41 A42 F47 L74R31-I45 HydrophobicContact CG-CB 4.09Å; R31-I45 HydrophobicContact CG-CD1 4.28Å; R31-I45 HydrophobicContact CG-CG2 4.17Å; R31-I45 PolarHBondContact NH1-O 3.07Å; C34-I45 HydrophobicContact CB-CD1 4.06Å; E35-I45 HydrophobicContact CB-CD1 4.21Å; V40-I45 HydrophobicContact CB-CG1 4.14Å; V40-I45 HydrophobicContact CG1-CG1 3.76Å; P41-I45 PolarHBondContact O-N 3.15Å; A42-I45 PolarHBondContact O-N 3.09Å; I45-F47 HydrophobicContact CG2-CD1 4.25Å; I45-F47 HydrophobicContact CG2-CD2 3.96Å; I45-F47 HydrophobicContact CG2-CE1 3.87Å; I45-F47 HydrophobicContact CG2-CE2 3.56Å; I45-F47 HydrophobicContact CG2-CG 4.31Å; I45-F47 HydrophobicContact CG2-CZ 3.52Å; I45-L74 HydrophobicContact CD1-CD1 4.1Å; I45-L74 HydrophobicContact CG1-CD1 4.31Å; I45-L74 HydrophobicContact CG1-CD2 4.1Å; I45-L74 HydrophobicContact CG1-CG 4.34Å; I45-L74 HydrophobicContact CG2-CD1 4.22Å; I45-L74 HydrophobicContact CG2-CD2 4.24Å; I45-L74 HydrophobicContact CG2-CG 3.81Å
46Q92.3Very high88.8Confident71 Ų7166.8 Ų66.833%0.33236%0.355SS..EExtended strand (participates in β ladder)trans-127.3131.5165.6-74.8-174-1100110.1L53 L74 L75 K77Q46-L53 HydrophobicContact CB-CD1 3.92Å; Q46-L53 HydrophobicContact CG-CD1 4.34Å; Q46-L74 CarbonylContact O-C 3.59Å; Q46-L74 WeakPolarHBondContact O-CA 3.43Å; Q46-L75 HydrophobicContact CB-CB 4.4Å; Q46-L75 PolarHBondContact N-O 3.29Å; Q46-L75 PolarHBondContact O-N 3.44Å; Q46-K77 HydrophobicContact CG-CB 4.46Å; Q46-K77 HydrophobicContact CG-CD 4.43Å
47F93.9Very high88.7Confident0 Ų063 Ų630%034%0.336CS..EExtended strand (participates in β ladder)trans-105.2127.4178.9-67-65.1000111.4L27 F30 R31 C34 I45 L53 L54 V72 V73 L74L27-F47 HydrophobicContact CD1-CD2 3.67Å; L27-F47 HydrophobicContact CD1-CE2 4.21Å; L27-F47 HydrophobicContact CD1-CG 4.39Å; L27-F47 HydrophobicContact CG-CD2 4.4Å; F30-F47 HydrophobicContact CD1-CD1 4.36Å; F30-F47 HydrophobicContact CD1-CD2 4.29Å; F30-F47 AromaticContact CD1-CE1 3.87Å; F30-F47 HydrophobicContact CD1-CE1 3.87Å; F30-F47 AromaticContact CD1-CE2 3.78Å; F30-F47 HydrophobicContact CD1-CE2 3.78Å; F30-F47 AromaticContact CD1-CZ 3.53Å; F30-F47 HydrophobicContact CD1-CZ 3.53Å; F30-F47 HydrophobicContact CE1-CD1 4.02Å; F30-F47 AromaticContact CE1-CE1 3.62Å; F30-F47 HydrophobicContact CE1-CE1 3.62Å; F30-F47 HydrophobicContact CE1-CE2 4.36Å; F30-F47 AromaticContact CE1-CZ 3.79Å; F30-F47 HydrophobicContact CE1-CZ 3.79Å; F30-F47 HydrophobicContact CG-CZ 4.49Å; R31-F47 HydrophobicContact CB-CE2 3.92Å; R31-F47 HydrophobicContact CG-CE2 4.24Å; C34-F47 HydrophobicContact CB-CE1 4.11Å; C34-F47 HydrophobicContact CB-CZ 3.78Å; C34-F47 VanDerWaalsContact SG-CZ 3.53Å; I45-F47 HydrophobicContact CG2-CD1 4.25Å; I45-F47 HydrophobicContact CG2-CD2 3.96Å; I45-F47 HydrophobicContact CG2-CE1 3.87Å; I45-F47 HydrophobicContact CG2-CE2 3.56Å; I45-F47 HydrophobicContact CG2-CG 4.31Å; I45-F47 HydrophobicContact CG2-CZ 3.52Å; F47-L53 WeakPolarHBondContact O-CA 3.46Å; F47-L53 WeakPolarHBondContact O-CD1 3.27Å; F47-L54 HydrophobicContact CB-CB 4.09Å; F47-L54 HydrophobicContact CB-CD1 4.01Å; F47-L54 HydrophobicContact CB-CG 4.1Å; F47-L54 PolarHBondContact O-N 3.01Å; F47-V72 HydrophobicContact CB-CG1 3.9Å; F47-V72 HydrophobicContact CD1-CG1 3.7Å; F47-V72 HydrophobicContact CG-CG1 4.18Å; F47-V73 CarbonylContact C-O 3.55Å; F47-V73 WeakPolarHBondContact CA-O 3.45Å; F47-L74 HydrophobicContact CD1-CB 4.19Å; F47-L74 HydrophobicContact CD1-CG 4.38Å; F47-L74 HydrophobicContact CE1-CB 4.1Å; F47-L74 HydrophobicContact CE1-CD1 4.01Å; F47-L74 HydrophobicContact CE1-CG 4Å
48V92.1Very high88.6Confident39 Ų3964.4 Ų64.424%0.23634%0.342CS..EExtended strand (participates in β ladder)trans-117.3125.7174.6-177.40000109.2Q52 L53 V73 L75V48-Q52 WeakPolarHBondContact CA-O 3.38Å; V48-L53 HydrophobicContact CG2-CD1 4.01Å; V48-V73 HydrophobicContact CB-CB 4.29Å; V48-V73 PolarHBondContact N-O 2.88Å; V48-V73 PolarHBondContact O-N 3.46Å; V48-L75 HydrophobicContact CG2-CD1 4.23Å
49Y91.4Very high88.7Confident12 Ų1265.3 Ų65.35%0.04735%0.348CS..EExtended strand (participates in β ladder)trans-137.1129.6177.1173.3-106.2000109E51 Q52 G65 L66 D70 M71 V72Y49-E51 VanDerWaalsContact C-N 3.29Å; Y49-E51 PolarHBondContact O-N 3.43Å; Y49-Q52 PolarHBondContact N-O 3.16Å; Y49-Q52 WeakPolarHBondContact O-CB 3.5Å; Y49-Q52 PolarHBondContact O-N 3.29Å; Y49-G65 PolarHBondContact OH-O 3.44Å; Y49-G65 VanDerWaalsContact OH-O 3.09Å; Y49-L66 HydrophobicContact CD1-CD1 3.59Å; Y49-L66 HydrophobicContact CD1-CG 3.93Å; Y49-L66 HydrophobicContact CD2-CG 4.05Å; Y49-L66 HydrophobicContact CE1-CD1 3.9Å; Y49-L66 HydrophobicContact CE1-CG 3.96Å; Y49-L66 HydrophobicContact CE2-CG 4.09Å; Y49-L66 HydrophobicContact CG-CD1 3.92Å; Y49-L66 HydrophobicContact CG-CG 3.97Å; Y49-D70 HydrophobicContact CE2-CB 3.79Å; Y49-D70 PolarHBondContact OH-OD2 3.01Å; Y49-M71 WeakPolarHBondContact CD2-O 3.33Å; Y49-V72 HydrophobicContact CD2-CG2 4.19Å
50M87Confident89Confident141 Ų14163.3 Ų63.370%0.69533%0.325SS*.THydrogen-bonded Turntrans47.646.7-174.7-65.5-169.9169.200114Q52M50-Q52 PolarHBondContact O-N 3.31Å; M50-Q52 VanDerWaalsContact O-N 3.07Å
51E80.6Confident89.2Confident195 Ų19563.3 Ų63.391%0.91132%0.324SS*.THydrogen-bonded Turntrans63.48.4-177.8-51.3179.4171.200114.8Y49Y49-E51 VanDerWaalsContact C-N 3.29Å; Y49-E51 PolarHBondContact O-N 3.43Å
52Q85.4Confident89.1Confident131 Ų13162.3 Ų62.361%0.61232%0.324SS*.EExtended strand (participates in β ladder)trans-108132.8176.8-62.4-172.6-8.200111.1V48 Y49 M50V48-Q52 WeakPolarHBondContact CA-O 3.38Å; Y49-Q52 PolarHBondContact N-O 3.16Å; Y49-Q52 WeakPolarHBondContact O-CB 3.5Å; Y49-Q52 PolarHBondContact O-N 3.29Å; M50-Q52 PolarHBondContact O-N 3.31Å; M50-Q52 VanDerWaalsContact O-N 3.07Å
53L88.8Confident89.2Confident79 Ų7966.6 Ų66.641%0.41435%0.348SS..EExtended strand (participates in β ladder)trans-78.1122.9172.6-174.974.1000109.4Q46 F47 V48 T55Q46-L53 HydrophobicContact CB-CD1 3.92Å; Q46-L53 HydrophobicContact CG-CD1 4.34Å; F47-L53 WeakPolarHBondContact O-CA 3.46Å; F47-L53 WeakPolarHBondContact O-CD1 3.27Å; V48-L53 HydrophobicContact CG2-CD1 4.01Å; L53-T55 HydrophobicContact CB-CG2 4.3Å; L53-T55 HydrophobicContact CD2-CG2 3.54Å; L53-T55 HydrophobicContact CG-CG2 3.7Å; L53-T55 PolarHBondContact O-N 3.19Å
54L91.2Very high89.3Confident4 Ų461.9 Ų61.92%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-79.6117.9174.7-45-173.5000108.1L27 F47 Y64 L66L27-L54 HydrophobicContact CD1-CB 3.85Å; L27-L54 HydrophobicContact CD1-CD1 3.88Å; L27-L54 HydrophobicContact CD2-CB 3.64Å; L27-L54 HydrophobicContact CG-CB 4.42Å; F47-L54 HydrophobicContact CB-CB 4.09Å; F47-L54 HydrophobicContact CB-CD1 4.01Å; F47-L54 HydrophobicContact CB-CG 4.1Å; F47-L54 PolarHBondContact O-N 3.01Å; L54-Y64 HydrophobicContact CB-CD2 4.47Å; L54-Y64 HydrophobicContact CB-CE1 4.47Å; L54-Y64 HydrophobicContact CB-CE2 4.13Å; L54-Y64 HydrophobicContact CD1-CD2 4.35Å; L54-Y64 HydrophobicContact CD1-CG 4.48Å; L54-Y64 HydrophobicContact CD2-CD1 3.52Å; L54-Y64 HydrophobicContact CD2-CD2 4.14Å; L54-Y64 HydrophobicContact CD2-CE1 3.9Å; L54-Y64 HydrophobicContact CD2-CE2 4.44Å; L54-Y64 HydrophobicContact CD2-CG 3.64Å; L54-L66 HydrophobicContact CD1-CD1 4.1Å
55T87.9Confident89.2Confident97 Ų9762.2 Ų62.260%0.59534%0.335SS*.  trans-129-22.7-167.7470000114.7L53 D57 Y64L53-T55 HydrophobicContact CB-CG2 4.3Å; L53-T55 HydrophobicContact CD2-CG2 3.54Å; L53-T55 HydrophobicContact CG-CG2 3.7Å; L53-T55 PolarHBondContact O-N 3.19Å; T55-D57 PolarHBondContact O-N 3.12Å; T55-Y64 PolarHBondContact N-OH 3.12Å
56D89.8Confident89.2Confident85 Ų8562.4 Ų62.446%0.45534%0.336SS..  trans-88103.2176.6-176.1-3.6000108.5L27 H58 C59 Y64L27-D56 WeakPolarHBondContact CD2-O 3.3Å; D56-H58 PolarHBondContact O-N 3.42Å; D56-H58 PolarHBondContact OD1-N 3.43Å; D56-H58 VanDerWaalsContact OD1-N 3.11Å; D56-C59 HydrophobicContact CB-CB 3.79Å; D56-C59 WeakPolarHBondContact O-CB 3.24Å; D56-C59 PolarHBondContact O-N 3.1Å; D56-C59 VanDerWaalsContact O-N 3.13Å; D56-Y64 WeakPolarHBondContact CA-OH 3.42Å; D56-Y64 VanDerWaalsContact CB-OH 3.24Å; D56-Y64 WeakPolarHBondContact CB-OH 3.35Å; D56-Y64 PolarHBondContact N-OH 2.84Å; D56-Y64 PolarHBondContact O-OH 3.32Å
57D87.8Confident89.2Confident60 Ų6066 Ų6632%0.32135%0.35SS..THydrogen-bonded Turntrans-63.8-19.1-176.3-80.7-23.9000112.9L27 C28 R31 T55L27-D57 PolarHBondContact N-O 3.39Å; C28-D57 HydrophobicContact CB-CB 4.02Å; C28-D57 WeakPolarHBondContact CB-O 3.39Å; C28-D57 PolarHBondContact N-O 2.58Å; C28-D57 PolarHBondContact SG-O 2.89Å; R31-D57 IonicContact CZ-OD1 2.75Å; R31-D57 IonicContact NE-OD1 3.63Å; R31-D57 PolarHBondContact NE-OD1 3.06Å; R31-D57 IonicContact NH2-OD1 3.76Å; R31-D57 PolarHBondContact NH2-OD1 3.34Å; R31-D57 VanDerWaalsContact NH2-OD1 3.09Å; T55-D57 PolarHBondContact O-N 3.12Å
58H88.2Confident89.1Confident139 Ų13971.3 Ų71.364%0.64438%0.379SS*.THydrogen-bonded Turntrans-99.2-7.5177.6-62.4-56.1000113.7E26 D56E26-H58 IonicContact OE2-ND1 3.47Å; D56-H58 PolarHBondContact O-N 3.42Å; D56-H58 PolarHBondContact OD1-N 3.43Å; D56-H58 VanDerWaalsContact OD1-N 3.11Å
59C89.8Confident88.9Confident20 Ų2072 Ų7214%0.13539%0.393CS..SBendtrans-73.9138.4175.1-174.10000109.6L27 D56 T63 Y64L27-C59 PolarHBondContact N-O 3.22Å; L27-C59 VanDerWaalsContact N-O 3.12Å; D56-C59 HydrophobicContact CB-CB 3.79Å; D56-C59 WeakPolarHBondContact O-CB 3.24Å; D56-C59 PolarHBondContact O-N 3.1Å; D56-C59 VanDerWaalsContact O-N 3.13Å; C59-T63 VanDerWaalsContact SG-CG2 3.58Å; C59-Y64 HydrophobicContact CB-CD2 4.19Å; C59-Y64 HydrophobicContact CB-CE2 3.49Å; C59-Y64 VanDerWaalsContact CB-CE2 3.49Å
60S93.2Very high88.9Confident20 Ų2073.2 Ų73.214%0.1440%0.401CS..BIsolated β-bridgetrans-75.3148.4176.973.40000110.9F25 G62 T63 Y64F25-S60 CarbonylContact O-C 3.49Å; F25-S60 WeakPolarHBondContact O-CA 3.21Å; S60-G62 PolarHBondContact O-N 3.38Å; S60-T63 WeakPolarHBondContact O-CB 3.38Å; S60-T63 PolarHBondContact O-N 3.08Å; S60-T63 PolarHBondContact OG-N 3.21Å; S60-T63 PolarHBondContact OG-OG1 3.25Å; S60-Y64 PolarHBondContact O-N 2.88Å
61L90.9Very high89.1Confident0 Ų071.9 Ų71.90%039%0.394CS..THydrogen-bonded Turntrans-58.1-35.6177.5-65.5177.7000111.8M1 I3 V21 F25 L27 F30 Y64 G65 L66M1-L61 HydrophobicContact CE-CB 3.25Å; M1-L61 HydrophobicContact CE-CD1 3.84Å; M1-L61 HydrophobicContact CE-CG 4.2Å; I3-L61 HydrophobicContact CD1-CD1 3.83Å; V21-L61 HydrophobicContact CG2-CD1 3.76Å; F25-L61 HydrophobicContact CB-CD1 4.22Å; F25-L61 HydrophobicContact CD1-CD1 4.34Å; F25-L61 WeakPolarHBondContact O-CG 3.13Å; F25-L61 PolarHBondContact O-N 3.23Å; L27-L61 HydrophobicContact CD1-CD2 3.88Å; F30-L61 HydrophobicContact CB-CD1 4.1Å; F30-L61 HydrophobicContact CB-CD2 4.29Å; F30-L61 HydrophobicContact CD1-CD1 4.33Å; F30-L61 HydrophobicContact CD1-CD2 4.01Å; F30-L61 HydrophobicContact CD2-CD1 3.66Å; F30-L61 HydrophobicContact CE2-CD1 4.12Å; F30-L61 HydrophobicContact CG-CD1 3.77Å; F30-L61 HydrophobicContact CG-CD2 4.12Å; F30-L61 HydrophobicContact CG-CG 4.49Å; L61-Y64 WeakPolarHBondContact O-CB 3.38Å; L61-Y64 PolarHBondContact O-N 2.61Å; L61-G65 PolarHBondContact O-N 2.75Å; L61-L66 HydrophobicContact CB-CB 4.42Å; L61-L66 HydrophobicContact CB-CD2 4.37Å; L61-L66 HydrophobicContact CD2-CD2 4.21Å; L61-L66 WeakPolarHBondContact O-CB 3.38Å; L61-L66 VanDerWaalsContact O-CD1 3.23Å; L61-L66 WeakPolarHBondContact O-CD1 3.44Å; L61-L66 PolarHBondContact O-N 3.27Å; L61-L66 VanDerWaalsContact O-N 3.1Å
62G88Confident89.8Confident31 Ų3162.6 Ų62.632%0.3235%0.351SS..THydrogen-bonded Turntrans-66.3-34174.900000113.5P23 S60 Y64 G65P23-G62 WeakPolarHBondContact O-CA 3.43Å; P23-G62 PolarHBondContact O-N 2.9Å; S60-G62 PolarHBondContact O-N 3.38Å; G62-Y64 VanDerWaalsContact C-N 3.32Å; G62-G65 WeakPolarHBondContact O-CA 3.31Å; G62-G65 PolarHBondContact O-N 2.8Å
63T89.9Confident90.2Very high107 Ų10758.5 Ų58.566%0.65634%0.335SS*.THydrogen-bonded Turntrans-69.4-30.8174.2-62.40000112.1C59 S60 G65C59-T63 VanDerWaalsContact SG-CG2 3.58Å; S60-T63 WeakPolarHBondContact O-CB 3.38Å; S60-T63 PolarHBondContact O-N 3.08Å; S60-T63 PolarHBondContact OG-N 3.21Å; S60-T63 PolarHBondContact OG-OG1 3.25Å; T63-G65 PolarHBondContact O-N 3.44Å
64Y87.5Confident90.5Very high44 Ų4454.7 Ų54.717%0.17332%0.315CS..THydrogen-bonded Turntrans-70.2-3.4167.2-76.3-60.3000114.2L27 L54 T55 D56 C59 S60 L61 G62 L66L27-Y64 HydrophobicContact CB-CE2 4.46Å; L27-Y64 HydrophobicContact CD2-CE2 4.1Å; L54-Y64 HydrophobicContact CB-CD2 4.47Å; L54-Y64 HydrophobicContact CB-CE1 4.47Å; L54-Y64 HydrophobicContact CB-CE2 4.13Å; L54-Y64 HydrophobicContact CD1-CD2 4.35Å; L54-Y64 HydrophobicContact CD1-CG 4.48Å; L54-Y64 HydrophobicContact CD2-CD1 3.52Å; L54-Y64 HydrophobicContact CD2-CD2 4.14Å; L54-Y64 HydrophobicContact CD2-CE1 3.9Å; L54-Y64 HydrophobicContact CD2-CE2 4.44Å; L54-Y64 HydrophobicContact CD2-CG 3.64Å; T55-Y64 PolarHBondContact N-OH 3.12Å; D56-Y64 WeakPolarHBondContact CA-OH 3.42Å; D56-Y64 VanDerWaalsContact CB-OH 3.24Å; D56-Y64 WeakPolarHBondContact CB-OH 3.35Å; D56-Y64 PolarHBondContact N-OH 2.84Å; D56-Y64 PolarHBondContact O-OH 3.32Å; C59-Y64 HydrophobicContact CB-CD2 4.19Å; C59-Y64 HydrophobicContact CB-CE2 3.49Å; C59-Y64 VanDerWaalsContact CB-CE2 3.49Å; S60-Y64 PolarHBondContact O-N 2.88Å; L61-Y64 WeakPolarHBondContact O-CB 3.38Å; L61-Y64 PolarHBondContact O-N 2.61Å; G62-Y64 VanDerWaalsContact C-N 3.32Å; Y64-L66 VanDerWaalsContact CB-CD1 3.42Å
65G86.8Confident90.5Very high31 Ų3157.6 Ų57.632%0.3233%0.33SS..THydrogen-bonded Turntrans86.46.9177.200000114.1Y49 L61 G62 T63 K67Y49-G65 PolarHBondContact OH-O 3.44Å; Y49-G65 VanDerWaalsContact OH-O 3.09Å; L61-G65 PolarHBondContact O-N 2.75Å; G62-G65 WeakPolarHBondContact O-CA 3.31Å; G62-G65 PolarHBondContact O-N 2.8Å; T63-G65 PolarHBondContact O-N 3.44Å; G65-K67 PolarHBondContact O-N 3.46Å
66L91.6Very high90.6Very high5 Ų554.8 Ų54.83%0.02631%0.31CS..  trans-65.6133.9176.5-72.681.2000110.2M1 I3 Y49 L54 L61 Y64 V72M1-L66 HydrophobicContact CE-CB 4.3Å; M1-L66 HydrophobicContact SD-CB 4.34Å; I3-L66 HydrophobicContact CD1-CB 4.19Å; I3-L66 HydrophobicContact CD1-CD2 3.46Å; I3-L66 VanDerWaalsContact CD1-CD2 3.46Å; I3-L66 HydrophobicContact CD1-CG 4.48Å; I3-L66 HydrophobicContact CG1-CD2 4.3Å; I3-L66 HydrophobicContact CG2-CD2 4.45Å; Y49-L66 HydrophobicContact CD1-CD1 3.59Å; Y49-L66 HydrophobicContact CD1-CG 3.93Å; Y49-L66 HydrophobicContact CD2-CG 4.05Å; Y49-L66 HydrophobicContact CE1-CD1 3.9Å; Y49-L66 HydrophobicContact CE1-CG 3.96Å; Y49-L66 HydrophobicContact CE2-CG 4.09Å; Y49-L66 HydrophobicContact CG-CD1 3.92Å; Y49-L66 HydrophobicContact CG-CG 3.97Å; L54-L66 HydrophobicContact CD1-CD1 4.1Å; L61-L66 HydrophobicContact CB-CB 4.42Å; L61-L66 HydrophobicContact CB-CD2 4.37Å; L61-L66 HydrophobicContact CD2-CD2 4.21Å; L61-L66 WeakPolarHBondContact O-CB 3.38Å; L61-L66 VanDerWaalsContact O-CD1 3.23Å; L61-L66 WeakPolarHBondContact O-CD1 3.44Å; L61-L66 PolarHBondContact O-N 3.27Å; L61-L66 VanDerWaalsContact O-N 3.1Å; Y64-L66 VanDerWaalsContact CB-CD1 3.42Å; L66-V72 HydrophobicContact CD2-CG2 3.27Å; L66-V72 HydrophobicContact CG-CG2 4.27Å
67K91.1Very high90.3Very high146 Ų14654.5 Ų54.564%0.63531%0.305SS*.  trans-121.5171179.9-63.7175.7-172.2174.40110.7G65 G69 D70G65-K67 PolarHBondContact O-N 3.46Å; K67-G69 PolarHBondContact O-N 3.45Å; K67-D70 WeakPolarHBondContact CB-OD2 3.33Å; K67-D70 PolarHBondContact N-OD2 2.96Å; K67-D70 WeakPolarHBondContact O-CB 3.32Å; K67-D70 PolarHBondContact O-N 2.87Å
68D91.4Very high89.4Confident112 Ų11257.4 Ų57.460%0.59932%0.32SS*.THydrogen-bonded Turntrans-60.3126.7172.9-165.371.2000111M1 L2M1-D68 WeakPolarHBondContact CA-OD1 3.12Å; M1-D68 HydrophobicContact CB-CB 4.12Å; L2-D68 PolarHBondContact N-OD1 3.11Å
69G87.6Confident87.9Confident53 Ų5354.1 Ų54.155%0.54631%0.308SS..THydrogen-bonded Turntrans90-2.1-178.100000115L2 K67L2-G69 WeakPolarHBondContact O-CA 3.27Å; L2-G69 PolarHBondContact O-N 2.7Å; K67-G69 PolarHBondContact O-N 3.45Å
70D91.5Very high85.7Confident37 Ų3759.5 Ų59.520%0.19834%0.34CS..  trans-73.8154-178.4-79.7-14.1000113.3I3 T4 Y49 K67I3-D70 WeakPolarHBondContact CA-O 3.48Å; T4-D70 PolarHBondContact N-O 2.88Å; Y49-D70 HydrophobicContact CE2-CB 3.79Å; Y49-D70 PolarHBondContact OH-OD2 3.01Å; K67-D70 WeakPolarHBondContact CB-OD2 3.33Å; K67-D70 PolarHBondContact N-OD2 2.96Å; K67-D70 WeakPolarHBondContact O-CB 3.32Å; K67-D70 PolarHBondContact O-N 2.87Å
71M91.9Very high83.1Confident113 Ų11360.7 Ų60.756%0.55736%0.355SS*.EExtended strand (participates in β ladder)trans-108.7130.6178.5-171.3-178.6-66.600111.3T4 Y49T4-M71 HydrophobicContact CG2-CE 4.28Å; T4-M71 HydrophobicContact CG2-CG 4.48Å; T4-M71 CarbonylContact O-C 3.58Å; T4-M71 WeakPolarHBondContact O-CA 3.49Å; Y49-M71 WeakPolarHBondContact CD2-O 3.33Å
72V94.6Very high80.4Confident0 Ų068.7 Ų68.70%040%0.397CS..EExtended strand (participates in β ladder)trans-115134.8174.6-178.40000108.7I3 T4 V5 Y6 F47 Y49 L66I3-V72 HydrophobicContact CG2-CB 4.27Å; I3-V72 HydrophobicContact CG2-CG2 3.65Å; T4-V72 PolarHBondContact O-N 2.88Å; V5-V72 CarbonylContact C-O 3.59Å; V5-V72 WeakPolarHBondContact CA-O 3.31Å; Y6-V72 PolarHBondContact N-O 3.39Å; F47-V72 HydrophobicContact CB-CG1 3.9Å; F47-V72 HydrophobicContact CD1-CG1 3.7Å; F47-V72 HydrophobicContact CG-CG1 4.18Å; Y49-V72 HydrophobicContact CD2-CG2 4.19Å; L66-V72 HydrophobicContact CD2-CG2 3.27Å; L66-V72 HydrophobicContact CG-CG2 4.27Å
73V94.9Very high77.9Confident45 Ų4577.8 Ų77.827%0.27342%0.421SS..EExtended strand (participates in β ladder)trans-90.8124.8174.6-179.20000109Y6 F47 V48 L75Y6-V73 HydrophobicContact CD1-CG1 4.21Å; Y6-V73 HydrophobicContact CD1-CG2 4.34Å; Y6-V73 CarbonylContact O-C 3.59Å; Y6-V73 WeakPolarHBondContact O-CA 3.45Å; F47-V73 CarbonylContact C-O 3.55Å; F47-V73 WeakPolarHBondContact CA-O 3.45Å; V48-V73 HydrophobicContact CB-CB 4.29Å; V48-V73 PolarHBondContact N-O 2.88Å; V48-V73 PolarHBondContact O-N 3.46Å; V73-L75 HydrophobicContact CG1-CD2 3.7Å; V73-L75 HydrophobicContact CG1-CG 4Å
74L94.8Very high75.1Confident0 Ų079 Ų790%043%0.429CS..EExtended strand (participates in β ladder)trans-100.7120172.2-176.1174.6000108.3V5 Y6 C7 V8 F17 C34 I45 Q46 F47V5-L74 HydrophobicContact CG1-CB 3.6Å; V5-L74 HydrophobicContact CG1-CD1 3.96Å; V5-L74 HydrophobicContact CG1-CG 4.45Å; Y6-L74 PolarHBondContact O-N 3.05Å; C7-L74 CarbonylContact C-O 3.54Å; C7-L74 WeakPolarHBondContact CA-O 3.38Å; C7-L74 HydrophobicContact CB-CB 4.2Å; C7-L74 HydrophobicContact CB-CD1 4.35Å; C7-L74 HydrophobicContact CB-CD2 4.38Å; V8-L74 PolarHBondContact N-O 2.87Å; F17-L74 HydrophobicContact CZ-CD1 4.34Å; C34-L74 HydrophobicContact CB-CD1 3.65Å; I45-L74 HydrophobicContact CD1-CD1 4.1Å; I45-L74 HydrophobicContact CG1-CD1 4.31Å; I45-L74 HydrophobicContact CG1-CD2 4.1Å; I45-L74 HydrophobicContact CG1-CG 4.34Å; I45-L74 HydrophobicContact CG2-CD1 4.22Å; I45-L74 HydrophobicContact CG2-CD2 4.24Å; I45-L74 HydrophobicContact CG2-CG 3.81Å; Q46-L74 CarbonylContact O-C 3.59Å; Q46-L74 WeakPolarHBondContact O-CA 3.43Å; F47-L74 HydrophobicContact CD1-CB 4.19Å; F47-L74 HydrophobicContact CD1-CG 4.38Å; F47-L74 HydrophobicContact CE1-CB 4.1Å; F47-L74 HydrophobicContact CE1-CD1 4.01Å; F47-L74 HydrophobicContact CE1-CG 4Å
75L91.1Very high72.6Confident64 Ų6482.3 Ų82.334%0.33546%0.456SS..EExtended strand (participates in β ladder)trans-111.3131.6175.5-58.6176.9000109.9V8 Q46 V48 V73 K77V8-L75 HydrophobicContact CB-CD2 3.91Å; V8-L75 HydrophobicContact CG2-CD2 4.19Å; Q46-L75 HydrophobicContact CB-CB 4.4Å; Q46-L75 PolarHBondContact N-O 3.29Å; Q46-L75 PolarHBondContact O-N 3.44Å; V48-L75 HydrophobicContact CG2-CD1 4.23Å; V73-L75 HydrophobicContact CG1-CD2 3.7Å; V73-L75 HydrophobicContact CG1-CG 4Å; L75-K77 PolarHBondContact O-N 3.25Å
76Q90.8Very high70.1Confident39 Ų3984.6 Ų84.618%0.18248%0.479CS..EExtended strand (participates in β ladder)trans-82.4111.3170.5-175.3177.617.200110.3V8 R10 V40 E44V8-Q76 PolarHBondContact O-N 3.12Å; V8-Q76 VanDerWaalsContact O-N 3.15Å; R10-Q76 HydrophobicContact CG-CB 4.19Å; R10-Q76 HydrophobicContact CG-CG 3.77Å; R10-Q76 VanDerWaalsContact N-OE1 3.15Å; V40-Q76 HydrophobicContact CG1-CB 3.83Å; V40-Q76 HydrophobicContact CG1-CG 3.53Å; V40-Q76 HydrophobicContact CG2-CB 4.31Å; V40-Q76 HydrophobicContact CG2-CG 4.44Å; E44-Q76 HydrophobicContact CB-CG 4.17Å; E44-Q76 WeakPolarHBondContact O-CA 3.47Å; E44-Q76 PolarHBondContact OE2-NE2 3.19Å
77K83.8Confident67.2Low79 Ų7995.1 Ų95.134%0.34352%0.518SS..  trans-76.2153.8176.678.7-173.8176.5-169.10111.6R10 E43 E44 Q46 L75 N79R10-K77 VanDerWaalsContact CZ-O 3.31Å; R10-K77 PolarHBondContact NE-O 2.95Å; R10-K77 VanDerWaalsContact NE-O 3.08Å; R10-K77 PolarHBondContact NH2-O 2.92Å; E43-K77 WeakPolarHBondContact O-CE 3.33Å; E43-K77 PolarHBondContact O-NZ 3.03Å; E44-K77 WeakPolarHBondContact O-CG 3.37Å; E44-K77 PolarHBondContact O-N 3.27Å; Q46-K77 HydrophobicContact CG-CB 4.46Å; Q46-K77 HydrophobicContact CG-CD 4.43Å; L75-K77 PolarHBondContact O-N 3.25Å; K77-N79 PolarHBondContact O-N 3.41Å
78D67.8Low64.3Low121 Ų12194.2 Ų94.265%0.64753%0.525SS*.  trans-70.2116.8167.7-80-30.4000110.7R10 V80R10-D78 WeakPolarHBondContact CD-OD1 3.46Å; R10-D78 IonicContact NE-OD1 2.74Å; R10-D78 PolarHBondContact NE-OD1 3.1Å; D78-V80 HydrophobicContact CB-CG2 4.42Å; D78-V80 PolarHBondContact O-N 2.97Å; D78-V80 VanDerWaalsContact O-N 3.17Å
79N56.5Low62.2Low70 Ų7093.9 Ų93.937%0.37453%0.529SS..  trans-85.773.3163.5-145.43.5000107.1E44 K77 G81E44-N79 HydrophobicContact CG-CB 4.34Å; K77-N79 PolarHBondContact O-N 3.41Å; N79-G81 PolarHBondContact O-N 3.23Å
80V44.9Very low59.3Low133 Ų13398.6 Ų98.681%0.80654%0.542SS*.  trans-62.3100.7157.1179.80000103.9D78D78-V80 HydrophobicContact CB-CG2 4.42Å; D78-V80 PolarHBondContact O-N 2.97Å; D78-V80 VanDerWaalsContact O-N 3.17Å
81G38.4Very low56.3Low45 Ų45105.3 Ų105.346%0.46457%0.572SS.*  trans-46.3146.5-159.400000113.4N79 R83N79-G81 PolarHBondContact O-N 3.23Å; G81-R83 PolarHBondContact O-N 2.54Å
82L34.3Very low54Low167 Ų167104.8 Ų104.887%0.87458%0.577SS**  trans-55.370.3141.5-89.5149.6000108.9
83R34.4Very low50.9Low223 Ų223116.1 Ų116.184%0.84262%0.62SS**  -80.5109.5128.4-71.5-161.1173.3-150.5-0.9104.4G81 P85G81-R83 PolarHBondContact O-N 2.54Å; R83-P85 WeakPolarHBondContact O-CD 3.47Å
84T32.3Very low47.9Very low132 Ų132117.7 Ų117.781%0.8164%0.637SS**  trans-35.7129.9166.2-4.40000110.5
85P34.6Very low44.6Very low114 Ų114125.2 Ų125.274%0.7468%0.678SS**  trans-129.7128.915019.23000108.6R83 R87R83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-R87 PolarHBondContact O-N 3.09Å; P85-R87 VanDerWaalsContact O-N 3.11Å
86G35Very low41.8Very low78 Ų78131.1 Ų131.180%0.80470%0.701SS**  trans-49.1125.916700000110.5
87R30Very low38.8Very low227 Ų227135.8 Ų135.886%0.85773%0.733SS**  trans72.5126.3143.1-163.6169.7-175.8-172.21.9119.3P85P85-R87 PolarHBondContact O-N 3.09Å; P85-R87 VanDerWaalsContact O-N 3.11Å
88T29Very low36.3Very low126 Ų126135.5 Ų135.577%0.77375%0.752SS**  trans96149.2144.447.10000123.1
89P48.1Very low34.4Very low105 Ų105135.8 Ų135.868%0.68276%0.764SS**  trans-117.6162.2-14842.2-30000116.3
90N27.9Very low33Very low153 Ų153137.3 Ų137.382%0.81879%0.785SS**  trans172141.5133.6-94.7-15.5000114.7
91Q27.8Very low32.7Very low178 Ų178137.7 Ų137.783%0.83278%0.782SS**  trans-28.7-179.6164.3-82.6178.8-42.400121
92P43.3Very low32.8Very low102 Ų102142 Ų14266%0.66280%0.801SS**  cis-143.8170.3-35.639.6-21000117.3
93R30.5Very low32.5Very low237 Ų237137.5 Ų137.589%0.89480%0.796SS**  trans79.3140.3134-94.7-179.8167.2159.9-3.1126.8
94A30.9Very low32.4Very low78 Ų78133.3 Ų133.365%0.64580%0.795SS**  trans78.7144.4141.500000119.5
95D26.3Very low32.2Very low158 Ų158132.5 Ų132.585%0.84580%0.795SS**  cis-165170.18.2-99.5-25000112.9
96F30.4Very low31.9Very low188 Ų188133.2 Ų133.283%0.82580%0.802SS**  trans-61.3174.2-173.6-96-105.1000123.3
97T29.8Very low31.7Very low138 Ų138136.4 Ų136.485%0.84781%0.806SS**  trans100.4134.8147.768.90000118.4
98G29.6Very low31.7Very low73 Ų73136.9 Ų136.975%0.75381%0.808SS**  cis171.8147.3-1.100000113.4
99S28.9Very low31.8Very low127 Ų127140.4 Ų140.489%0.88882%0.815SS**  trans53.5124143.2-53.50000124
100A27.4Very low31.1Very low101 Ų101144.7 Ų144.784%0.83583%0.826SS**  160.8139.79200000114.9
101I37.8Very low31.3Very low142 Ų142146.2 Ų146.273%0.72883%0.828SS**  trans-109.2176.7172.5-24.9171.1000108.3
102P40.3Very low31.4Very low134 Ų134146.6 Ų146.687%0.8783%0.829SS**  -152.5167.555.834.5-9.2000118.6
103G29Very low30.8Very low74 Ų74150.9 Ų150.976%0.76384%0.841SS**  trans-153.2148.5163.700000112.5
104T31.2Very low30.8Very low134 Ų134150.1 Ų150.182%0.82284%0.838SS**  trans-100.6131.1-170.449.50000113.1
105S28.4Very low31Very low115 Ų115155.9 Ų155.980%0.80485%0.851SS**  86.2115106-53.20000119.2
106S28.4Very low31.2Very low129 Ų129156.2 Ų156.290%0.90285%0.848SS**  trans-170.8156.5137.851.60000112.6
107T31.2Very low31.1Very low145 Ų145159.1 Ų159.189%0.8985%0.853SS**  trans-116.4149.2-145.7-23.30000112.6
108R30Very low31.1Very low237 Ų237160.1 Ų160.189%0.89485%0.852SS**  trans-95.2148.7175.8-74.8177.5171.2173-2.8112.4
109H31.3Very low31Very low200 Ų200162 Ų16293%0.92685%0.851SS**  trans-108.1141.7162.9-94.5-67.1000112.1
110H33Very low30.9Very low195 Ų195161.4 Ų161.490%0.90385%0.847SS**  trans-85.2147.6-177.1-92.9-76.4000113.6
111H31.1Very low31Very low185 Ų185163.3 Ų163.386%0.85685%0.848SS**  trans-94.6132175.1-153.536.8000110.9
112H31.7Very low30.6Very low186 Ų186164.8 Ų164.886%0.86185%0.852SS**  trans-122.7119.8169.6-113.3-34.6000109.4
113Q30.8Very low30Very low193 Ų193163.2 Ų163.290%0.90285%0.85SS**  trans-64.2129.5171.3-95.1174.1-14.400111.4
114R30.2Very low30.1Very low220 Ų220168.5 Ų168.583%0.8386%0.855SS**  trans-133.2111.2163.8-130.8-179.3173.9-150.4-3108.8Q116R114-Q116 PolarHBondContact O-N 2.86Å
115Q33.4Very low29.8Very low199 Ų199165.8 Ų165.893%0.9385%0.853SS**  trans-58.8122.8166.5-78.8172.8-12.200109.5
116Q32.1Very low29.8Very low166 Ų166168.8 Ų168.878%0.77686%0.859SS**  trans-116.9117.5164.3-79.5-168.7-0.200110.2R114R114-Q116 PolarHBondContact O-N 2.86Å
117R26.8Very low29.9Very low248 Ų248167 Ų16794%0.93685%0.853SS**PPolyproline II helixtrans-65.4132.3161.3-78.4175.1165.6-166.3-4.6109.1
118I30Very low30Very low159 Ų159164.2 Ų164.282%0.81584%0.839SS**PPolyproline II helixtrans-90136.8169.8-58.4172.5000108.7
119P28.2Very low30.6Very low114 Ų114157.2 Ų157.274%0.7484%0.84SS**PPolyproline II helixtrans-79.2133.8-179.3-0.818.4000111.7
120S26.7Very low30.8Very low114 Ų114155 Ų15580%0.79783%0.831SS**  trans-78111.5166.553.40000110.6
121T30.1Very low31Very low140 Ų140152 Ų15286%0.85982%0.821SS**  trans-83.8109.4164.731.90000109.7
122Q29.3Very low31.3Very low173 Ų173150.1 Ų150.181%0.80881%0.814SS**  trans-67.3127166.2-74.7174.5-21.300109.8
123A27Very low31.7Very low102 Ų102144.6 Ų144.684%0.84380%0.8SS**  trans-118.7107.4156.400000107.8
124H30.3Very low32.2Very low185 Ų185143.5 Ų143.586%0.85679%0.789SS**  trans-68.9129.2164.6-85.9-72.7000109.3
125G25.8Very low32.8Very low76 Ų76135.7 Ų135.778%0.78477%0.772SS**  trans-161.4115.1169.800000110
126L29.6Very low33.5Very low178 Ų178135 Ų13593%0.93276%0.761SS**  trans-72.5147.2-178.9-71.1152.1000112.1
127A29.8Very low34.4Very low93 Ų93132.6 Ų132.677%0.76975%0.753SS**  trans73.4147.2145.300000121.7
128S33.4Very low35.7Very low86 Ų86126.7 Ų126.760%0.60174%0.74SS**  trans86115.6154.4-68.80000119.4E130S128-E130 PolarHBondContact O-N 3.17Å
129G41.3Very low37.2Very low89 Ų89123.7 Ų123.792%0.91873%0.725SS**THydrogen-bonded Turntrans-69.342.8173.100000115.1
130E35.4Very low39.5Very low155 Ų155120 Ų12072%0.72470%0.702SS**THydrogen-bonded Turntrans-102.7-7.5179.5-69.5-179136.500113.3S128S128-E130 PolarHBondContact O-N 3.17Å
131N37.7Very low41.9Very low131 Ų131115.8 Ų115.870%0.70167%0.672SS**Hα-helixtrans-87.2-2.5-174.1-98.7-33.1000116.8A133N131-A133 VanDerWaalsContact C-N 3.33Å
132M38.1Very low44.3Very low146 Ų146111.8 Ų111.872%0.71965%0.653SS**Hα-helixtrans-78.9-15.7172.8-76.7-124.8100.700113.4
133A39.7Very low46.8Very low69 Ų69107.6 Ų107.657%0.5764%0.636SS**Hα-helixtrans-81.7-40.1-179.600000112.3N131 R136N131-A133 VanDerWaalsContact C-N 3.33Å; A133-R136 PolarHBondContact O-N 2.78Å
134Y42.3Very low49.4Very low170 Ų170104.1 Ų104.167%0.66760%0.603SS**Hα-helixtrans-68.2-35.6-179.7-93.8-89.4000113.6R136 D137 L138Y134-R136 VanDerWaalsContact C-N 3.27Å; Y134-R136 PolarHBondContact O-N 3.41Å; Y134-D137 PolarHBondContact O-N 2.97Å; Y134-L138 WeakPolarHBondContact O-CD1 3.33Å
135A42.6Very low51.9Low56 Ų5698 Ų9846%0.46357%0.572SS.*Hα-helixtrans-70.2-20.8177.900000113.9N139A135-N139 PolarHBondContact O-ND2 3.44Å; A135-N139 VanDerWaalsContact O-ND2 3.13Å
136R47.1Very low54.5Low185 Ų18597.4 Ų97.470%0.69856%0.556SS**Hα-helixtrans-79.1-28.9174.3-71.9-178-169.4171.14.4112.3A133 Y134 N139A133-R136 PolarHBondContact O-N 2.78Å; Y134-R136 VanDerWaalsContact C-N 3.27Å; Y134-R136 PolarHBondContact O-N 3.41Å; R136-N139 PolarHBondContact O-N 3.17Å
137D50.2Low57Low116 Ų11693.9 Ų93.962%0.6254%0.536SS*.Hα-helixtrans-74.7-34.2-175.5-129.14.1000112.4Y134 N139 S140Y134-D137 PolarHBondContact O-N 2.97Å; D137-N139 VanDerWaalsContact C-N 3.26Å; D137-N139 PolarHBondContact O-N 2.93Å; D137-S140 PolarHBondContact O-N 3.11Å; D137-S140 PolarHBondContact O-OG 3.34Å
138L54Low59.5Low124 Ų12490.5 Ų90.565%0.64951%0.505SS*.THydrogen-bonded Turntrans-70.1-18.5173.4-81.9106.6000114.1Y134Y134-L138 WeakPolarHBondContact O-CD1 3.33Å
139N61.5Low61.8Low96 Ų9690.3 Ų90.351%0.51350%0.496SS..THydrogen-bonded Turntrans-98.415.3178.8-73.8-45.7000112.8A135 R136 D137A135-N139 PolarHBondContact O-ND2 3.44Å; A135-N139 VanDerWaalsContact O-ND2 3.13Å; R136-N139 PolarHBondContact O-N 3.17Å; D137-N139 VanDerWaalsContact C-N 3.26Å; D137-N139 PolarHBondContact O-N 2.93Å
140S77.3Confident63.8Low37 Ų3790.4 Ų90.426%0.25948%0.483SS..  trans-68.1130.2179.971.50000111D137 A142 L143 I144D137-S140 PolarHBondContact O-N 3.11Å; D137-S140 PolarHBondContact O-OG 3.34Å; S140-A142 PolarHBondContact O-N 2.99Å; S140-A142 VanDerWaalsContact O-N 3.13Å; S140-L143 PolarHBondContact O-N 3.43Å; S140-L143 WeakPolarHBondContact OG-CB 3.23Å; S140-L143 PolarHBondContact OG-N 2.95Å; S140-I144 PolarHBondContact O-N 2.75Å; S140-I144 VanDerWaalsContact O-N 3.11Å
141P77.6Confident66.1Low24 Ų2485.8 Ų85.816%0.15646%0.463CS..Hα-helixtrans-56.9-31.5-179.2-2733.5000113.6R145 F177 S178 L181 M182P141-R145 WeakPolarHBondContact O-CB 3.44Å; P141-R145 PolarHBondContact O-N 3.34Å; P141-F177 WeakPolarHBondContact O-CE1 3.4Å; P141-S178 VanDerWaalsContact CG-OG 3.29Å; P141-S178 WeakPolarHBondContact CG-OG 3.32Å; P141-L181 HydrophobicContact CB-CD2 4.11Å; P141-L181 HydrophobicContact CG-CD2 4.41Å; P141-M182 HydrophobicContact CG-CE 4.01Å
142A80.4Confident68.1Low56 Ų5684.7 Ų84.746%0.46346%0.463SS..Hα-helixtrans-67.3-41.4176.700000112.7S140 S146 L174S140-A142 PolarHBondContact O-N 2.99Å; S140-A142 VanDerWaalsContact O-N 3.13Å; A142-S146 WeakPolarHBondContact O-CB 3.5Å; A142-S146 PolarHBondContact O-N 3.23Å; A142-L174 HydrophobicContact CB-CD1 4.24Å; A142-L174 HydrophobicContact CB-CD2 4.43Å
143L81.7Confident70.2Confident85 Ų8584.1 Ų84.145%0.44546%0.459SS..Hα-helixtrans-68.6-45.9177.7-175.368000110.9S140 R145 S146 M147S140-L143 PolarHBondContact O-N 3.43Å; S140-L143 WeakPolarHBondContact OG-CB 3.23Å; S140-L143 PolarHBondContact OG-N 2.95Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 2.91Å; L143-S146 PolarHBondContact O-N 3.26Å; L143-S146 VanDerWaalsContact O-N 3.12Å; L143-S146 PolarHBondContact O-OG 2.85Å; L143-M147 WeakPolarHBondContact O-CB 3.41Å; L143-M147 PolarHBondContact O-N 3.46Å
144I81.9Confident72.1Confident29 Ų2983.4 Ų83.415%0.14945%0.445CS..Hα-helixtrans-61.1-43.6178.7-64.6167.5000110.7S140 S146 M147 L148 F177 L181S140-I144 PolarHBondContact O-N 2.75Å; S140-I144 VanDerWaalsContact O-N 3.11Å; I144-S146 PolarHBondContact O-N 3.49Å; I144-M147 PolarHBondContact O-N 2.79Å; I144-L148 HydrophobicContact CG2-CD1 3.86Å; I144-L148 HydrophobicContact CG2-CG 4.47Å; I144-L148 WeakPolarHBondContact O-CG 3.48Å; I144-L148 PolarHBondContact O-N 2.95Å; I144-F177 HydrophobicContact CG2-CE1 4.49Å; I144-F177 HydrophobicContact CG2-CZ 4.18Å; I144-L181 HydrophobicContact CB-CD2 4.41Å; I144-L181 HydrophobicContact CD1-CD2 3.87Å; I144-L181 HydrophobicContact CG2-CD2 4.29Å
145R81.6Confident73.9Confident58 Ų5876.9 Ų76.922%0.21942%0.422CS..Hα-helixtrans-58-46.9173.1175.1159.8-177.2-105.92.2112.1P141 L143 M147 L148 L149 L169 G172 F177P141-R145 WeakPolarHBondContact O-CB 3.44Å; P141-R145 PolarHBondContact O-N 3.34Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 2.91Å; R145-M147 VanDerWaalsContact C-N 3.31Å; R145-M147 PolarHBondContact O-N 2.81Å; R145-L148 PolarHBondContact O-N 2.99Å; R145-L149 HydrophobicContact CG-CD1 3.85Å; R145-L149 WeakPolarHBondContact O-CB 3.46Å; R145-L149 VanDerWaalsContact O-CG 3.28Å; R145-L149 WeakPolarHBondContact O-CG 3.36Å; R145-L149 PolarHBondContact O-N 2.85Å; R145-L169 HydrophobicContact CB-CD1 4.2Å; R145-L169 HydrophobicContact CG-CD1 3.65Å; R145-G172 PolarHBondContact NH2-O 3.21Å; R145-F177 HydrophobicContact CB-CD1 3.82Å; R145-F177 HydrophobicContact CB-CE1 3.6Å; R145-F177 HydrophobicContact CB-CZ 4.22Å; R145-F177 HydrophobicContact CG-CD1 4.39Å
146S81.2Confident75.7Confident62 Ų6277.7 Ų77.743%0.43442%0.424SS..Hα-helixtrans-64.2-37.6-179.775.10000112.3A142 L143 I144 S150A142-S146 WeakPolarHBondContact O-CB 3.5Å; A142-S146 PolarHBondContact O-N 3.23Å; L143-S146 PolarHBondContact O-N 3.26Å; L143-S146 VanDerWaalsContact O-N 3.12Å; L143-S146 PolarHBondContact O-OG 2.85Å; I144-S146 PolarHBondContact O-N 3.49Å; S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.07Å
147M82.3Confident77.3Confident104 Ų10472.9 Ų72.951%0.51241%0.412SS..Hα-helixtrans-66.4-49177.4-175.2178.870.400111.1L143 I144 R145 L149 S150 N151L143-M147 WeakPolarHBondContact O-CB 3.41Å; L143-M147 PolarHBondContact O-N 3.46Å; I144-M147 PolarHBondContact O-N 2.79Å; R145-M147 VanDerWaalsContact C-N 3.31Å; R145-M147 PolarHBondContact O-N 2.81Å; M147-L149 VanDerWaalsContact C-N 3.28Å; M147-L149 PolarHBondContact O-N 2.89Å; M147-S150 PolarHBondContact O-N 3.22Å; M147-S150 VanDerWaalsContact O-N 3.08Å; M147-S150 PolarHBondContact O-OG 3.2Å; M147-N151 PolarHBondContact O-N 2.65Å
148L81.9Confident78.9Confident22 Ų2268.5 Ų68.512%0.11539%0.388CS..Hα-helixtrans-64.4-30.2179-69.8167.5000113.3I144 R145 D154 L158 L169 F177I144-L148 HydrophobicContact CG2-CD1 3.86Å; I144-L148 HydrophobicContact CG2-CG 4.47Å; I144-L148 WeakPolarHBondContact O-CG 3.48Å; I144-L148 PolarHBondContact O-N 2.95Å; R145-L148 PolarHBondContact O-N 2.99Å; L148-D154 HydrophobicContact CD2-CB 4.22Å; L148-L158 HydrophobicContact CD1-CD2 4.13Å; L148-L158 HydrophobicContact CD2-CD2 4.48Å; L148-L169 HydrophobicContact CB-CD2 3.81Å; L148-L169 HydrophobicContact CD1-CD2 4.38Å; L148-F177 HydrophobicContact CD1-CE2 4.27Å; L148-F177 HydrophobicContact CD1-CZ 3.94Å
149L82.3Confident80.3Confident82 Ų8267.7 Ų67.743%0.42938%0.379SS..Hα-helixtrans-80.9-23.2174.8-68.9171.7000112.9R145 M147 N151 L155 L169R145-L149 HydrophobicContact CG-CD1 3.85Å; R145-L149 WeakPolarHBondContact O-CB 3.46Å; R145-L149 VanDerWaalsContact O-CG 3.28Å; R145-L149 WeakPolarHBondContact O-CG 3.36Å; R145-L149 PolarHBondContact O-N 2.85Å; M147-L149 VanDerWaalsContact C-N 3.28Å; M147-L149 PolarHBondContact O-N 2.89Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-L155 HydrophobicContact CD2-CD1 4.23Å; L149-L169 HydrophobicContact CD1-CD1 4.42Å; L149-L169 HydrophobicContact CD2-CD1 4.33Å; L149-L169 HydrophobicContact CD2-CD2 4.26Å; L149-L169 HydrophobicContact CD2-CG 4.09Å; L149-L169 HydrophobicContact CG-CD1 4.1Å; L149-L169 HydrophobicContact CG-CG 4.39Å
150S83.1Confident81.2Confident91 Ų9169.4 Ų69.464%0.63638%0.384SS*.Hα-helixtrans-74.4-22.8-179.872.50000113.5S146 M147S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.07Å; M147-S150 PolarHBondContact O-N 3.22Å; M147-S150 VanDerWaalsContact O-N 3.08Å; M147-S150 PolarHBondContact O-OG 3.2Å
151N83.7Confident81.4Confident58 Ų5876.6 Ų76.631%0.3141%0.406SS..  trans-122.4112-178.5-174.2-1.9000111.8M147 L149 H153 D154 L155M147-N151 PolarHBondContact O-N 2.65Å; L149-N151 VanDerWaalsContact C-N 3.33Å; N151-H153 PolarHBondContact O-N 2.94Å; N151-H153 WeakPolarHBondContact OD1-CB 3.45Å; N151-H153 PolarHBondContact OD1-N 3.37Å; N151-D154 HydrophobicContact CB-CB 4.21Å; N151-D154 VanDerWaalsContact CB-OD2 3.24Å; N151-D154 WeakPolarHBondContact CB-OD2 3.49Å; N151-D154 PolarHBondContact ND2-OD1 2.85Å; N151-D154 PolarHBondContact ND2-OD2 3.34Å; N151-D154 PolarHBondContact O-N 2.83Å; N151-L155 PolarHBondContact O-N 3.09Å
152P80.4Confident81.6Confident108 Ų10877.4 Ų77.470%0.70141%0.409SS*.Hα-helixtrans-60.7-27.8178.5-23.833.5000114.5S156P152-S156 PolarHBondContact O-N 3.34Å
153H80.8Confident81.9Confident135 Ų13578.3 Ų78.363%0.62541%0.41SS*.Hα-helixtrans-70-43.1179.2-173.264.9000111.5N151 L155 S156 L157N151-H153 PolarHBondContact O-N 2.94Å; N151-H153 WeakPolarHBondContact OD1-CB 3.45Å; N151-H153 PolarHBondContact OD1-N 3.37Å; H153-L155 VanDerWaalsContact C-N 3.26Å; H153-L155 PolarHBondContact O-N 2.87Å; H153-S156 WeakPolarHBondContact O-CB 3.3Å; H153-S156 PolarHBondContact O-N 2.71Å; H153-S156 VanDerWaalsContact O-N 3.1Å; H153-L157 PolarHBondContact O-N 3.13Å
154D79.7Confident82Confident53 Ų5376.7 Ų76.728%0.28341%0.409SS..Hα-helixtrans-64.2-34179.2-61.8-19.6000111.4L148 N151 L158L148-D154 HydrophobicContact CD2-CB 4.22Å; N151-D154 HydrophobicContact CB-CB 4.21Å; N151-D154 VanDerWaalsContact CB-OD2 3.24Å; N151-D154 WeakPolarHBondContact CB-OD2 3.49Å; N151-D154 PolarHBondContact ND2-OD1 2.85Å; N151-D154 PolarHBondContact ND2-OD2 3.34Å; N151-D154 PolarHBondContact O-N 2.83Å; D154-L158 VanDerWaalsContact O-CB 3.27Å; D154-L158 WeakPolarHBondContact O-CB 3.41Å; D154-L158 PolarHBondContact O-N 2.85Å
155L80.1Confident82.2Confident33 Ų3375.8 Ų75.817%0.17340%0.404CS..Hα-helixtrans-68.8-35.8174.9-168.8144000112.6L149 N151 H153 K159 L169 L170L149-L155 HydrophobicContact CD2-CD1 4.23Å; N151-L155 PolarHBondContact O-N 3.09Å; H153-L155 VanDerWaalsContact C-N 3.26Å; H153-L155 PolarHBondContact O-N 2.87Å; L155-K159 HydrophobicContact CD2-CD 4.05Å; L155-K159 WeakPolarHBondContact O-CG 3.35Å; L155-K159 PolarHBondContact O-N 3.26Å; L155-K159 VanDerWaalsContact O-N 3.12Å; L155-L169 HydrophobicContact CD1-CD2 4.19Å; L155-L170 HydrophobicContact CD1-CD2 4.13Å
156S81.3Confident82.3Confident73 Ų7373.2 Ų73.251%0.5140%0.395SS..Hα-helixtrans-66.6-45.6174.9-167.20000111.3P152 H153 L158 K159 E160P152-S156 PolarHBondContact O-N 3.34Å; H153-S156 WeakPolarHBondContact O-CB 3.3Å; H153-S156 PolarHBondContact O-N 2.71Å; H153-S156 VanDerWaalsContact O-N 3.1Å; S156-L158 VanDerWaalsContact C-N 3.33Å; S156-L158 PolarHBondContact O-N 3.2Å; S156-K159 PolarHBondContact O-N 3.28Å; S156-E160 PolarHBondContact O-N 3.19Å
157L81.5Confident82.6Confident85 Ų8576.9 Ų76.945%0.44541%0.406SS..Hα-helixtrans-64.5-38.8177.5-17564.2000111.7H153 K159 E160 R161H153-L157 PolarHBondContact O-N 3.13Å; L157-K159 PolarHBondContact O-N 3.37Å; L157-E160 PolarHBondContact O-N 3.46Å; L157-R161 HydrophobicContact CD1-CG 4.04Å; L157-R161 HydrophobicContact CG-CG 4.41Å; L157-R161 WeakPolarHBondContact O-CB 3.4Å; L157-R161 WeakPolarHBondContact O-CG 3.25Å; L157-R161 PolarHBondContact O-N 2.89Å
158L82.3Confident82.7Confident24 Ų2472.3 Ų72.313%0.12639%0.385CS..Hα-helixtrans-63.1-40.2176.2-173.170.2000112L148 D154 S156 E160 R161 N162 L165 A166 L169L148-L158 HydrophobicContact CD1-CD2 4.13Å; L148-L158 HydrophobicContact CD2-CD2 4.48Å; D154-L158 VanDerWaalsContact O-CB 3.27Å; D154-L158 WeakPolarHBondContact O-CB 3.41Å; D154-L158 PolarHBondContact O-N 2.85Å; S156-L158 VanDerWaalsContact C-N 3.33Å; S156-L158 PolarHBondContact O-N 3.2Å; L158-E160 VanDerWaalsContact C-N 3.31Å; L158-E160 PolarHBondContact O-N 3.02Å; L158-R161 PolarHBondContact O-N 3.2Å; L158-N162 HydrophobicContact CD1-CB 4.1Å; L158-N162 CarbonylContact O-C 3.13Å; L158-N162 WeakPolarHBondContact O-CA 3.22Å; L158-N162 PolarHBondContact O-N 2.59Å; L158-N162 VanDerWaalsContact O-O 3.04Å; L158-L165 HydrophobicContact CD1-CB 4.46Å; L158-L165 HydrophobicContact CD1-CD2 4.05Å; L158-L165 HydrophobicContact CD1-CG 4.38Å; L158-A166 HydrophobicContact CD2-CB 4.17Å; L158-A166 HydrophobicContact CG-CB 4.06Å; L158-L169 HydrophobicContact CD2-CD2 3.87Å
159K83.3Confident82.8Confident107 Ų10771.4 Ų71.447%0.46538%0.38SS..Hα-helixtrans-62.3-38.4176.5-79.2176172.9179.50113L155 S156 L157 A166 L170L155-K159 HydrophobicContact CD2-CD 4.05Å; L155-K159 WeakPolarHBondContact O-CG 3.35Å; L155-K159 PolarHBondContact O-N 3.26Å; L155-K159 VanDerWaalsContact O-N 3.12Å; S156-K159 PolarHBondContact O-N 3.28Å; L157-K159 PolarHBondContact O-N 3.37Å; K159-A166 HydrophobicContact CB-CB 4.38Å; K159-A166 HydrophobicContact CG-CB 3.72Å; K159-L170 VanDerWaalsContact CE-CD1 3.47Å
160E81.9Confident82.9Confident132 Ų13272 Ų7262%0.61738%0.383SS*.Hα-helixtrans-73.3-43.7179.4-169.6-167.7133.400111.5S156 L157 L158S156-E160 PolarHBondContact O-N 3.19Å; L157-E160 PolarHBondContact O-N 3.46Å; L158-E160 VanDerWaalsContact C-N 3.31Å; L158-E160 PolarHBondContact O-N 3.02Å
161R79.7Confident82.9Confident188 Ų18871 Ų7171%0.70938%0.376SS*.Hα-helixtrans-90.2-25.8-171.6-65.6-72.6163.2156.9-4.8114L157 L158L157-R161 HydrophobicContact CD1-CG 4.04Å; L157-R161 HydrophobicContact CG-CG 4.41Å; L157-R161 WeakPolarHBondContact O-CB 3.4Å; L157-R161 WeakPolarHBondContact O-CG 3.25Å; L157-R161 PolarHBondContact O-N 2.89Å; L158-R161 PolarHBondContact O-N 3.2Å
162N82.8Confident82.5Confident40 Ų4070.5 Ų70.521%0.21438%0.384CS..  trans-153.975.3-173.3-167.7-22.7000111.3L158 A164 L165 A166 Q184L158-N162 HydrophobicContact CD1-CB 4.1Å; L158-N162 CarbonylContact O-C 3.13Å; L158-N162 WeakPolarHBondContact O-CA 3.22Å; L158-N162 PolarHBondContact O-N 2.59Å; L158-N162 VanDerWaalsContact O-O 3.04Å; N162-A164 VanDerWaalsContact C-N 3.29Å; N162-A164 PolarHBondContact O-N 3.31Å; N162-L165 HydrophobicContact CB-CB 4.44Å; N162-L165 PolarHBondContact O-N 3.42Å; N162-L165 WeakPolarHBondContact OD1-CB 3.32Å; N162-L165 PolarHBondContact OD1-N 2.92Å; N162-A166 PolarHBondContact O-N 2.84Å; N162-A166 VanDerWaalsContact O-N 3.1Å; N162-Q184 VanDerWaalsContact ND2-CD 3.28Å; N162-Q184 PolarHBondContact ND2-NE2 3.02Å; N162-Q184 VanDerWaalsContact ND2-NE2 3.17Å; N162-Q184 PolarHBondContact ND2-OE1 3.26Å; N162-Q184 PolarHBondContact OD1-NE2 3.2Å
163P86.4Confident82.7Confident75 Ų7567.3 Ų67.349%0.48737%0.365SS..Hα-helixtrans-60.8-36.7-174.722.4-32.8000112.5L165 A166 E167P163-L165 PolarHBondContact O-N 3.3Å; P163-A166 PolarHBondContact O-N 3.45Å; P163-E167 WeakPolarHBondContact O-CG 3.32Å; P163-E167 PolarHBondContact O-N 3.38Å
164A84.4Confident82.7Confident52 Ų5264.5 Ų64.543%0.4335%0.354SS..Hα-helixtrans-62.1-42.6179.700000113N162 A168N162-A164 VanDerWaalsContact C-N 3.29Å; N162-A164 PolarHBondContact O-N 3.31Å; A164-A168 PolarHBondContact O-N 3.17Å; A164-A168 VanDerWaalsContact O-N 3.17Å
165L85.1Confident82.9Confident10 Ų1069.7 Ų69.75%0.05238%0.376CS..Hα-helixtrans-73.8-33.3176.8-173.860.2000111.6L158 N162 P163 A168 L169 F177 V180 L181L158-L165 HydrophobicContact CD1-CB 4.46Å; L158-L165 HydrophobicContact CD1-CD2 4.05Å; L158-L165 HydrophobicContact CD1-CG 4.38Å; N162-L165 HydrophobicContact CB-CB 4.44Å; N162-L165 PolarHBondContact O-N 3.42Å; N162-L165 WeakPolarHBondContact OD1-CB 3.32Å; N162-L165 PolarHBondContact OD1-N 2.92Å; P163-L165 PolarHBondContact O-N 3.3Å; L165-A168 PolarHBondContact O-N 3.09Å; L165-L169 WeakPolarHBondContact O-CB 3.17Å; L165-L169 PolarHBondContact O-N 3Å; L165-F177 HydrophobicContact CD1-CD2 3.75Å; L165-F177 HydrophobicContact CD1-CE2 3.48Å; L165-F177 VanDerWaalsContact CD1-CE2 3.48Å; L165-F177 HydrophobicContact CD1-CZ 4.22Å; L165-F177 HydrophobicContact CG-CE2 3.94Å; L165-V180 HydrophobicContact CB-CG1 4.31Å; L165-V180 HydrophobicContact CD1-CB 4.27Å; L165-V180 HydrophobicContact CD1-CG1 3.96Å; L165-L181 HydrophobicContact CD1-CB 4.06Å; L165-L181 HydrophobicContact CD1-CD1 4.24Å; L165-L181 HydrophobicContact CD2-CD1 3.82Å
166A84.8Confident83Confident3 Ų370.8 Ų70.83%0.02539%0.385CS..Hα-helixtrans-65.2-41.9174.700000112.4L158 K159 N162 P163 L169 L170L158-A166 HydrophobicContact CD2-CB 4.17Å; L158-A166 HydrophobicContact CG-CB 4.06Å; K159-A166 HydrophobicContact CB-CB 4.38Å; K159-A166 HydrophobicContact CG-CB 3.72Å; N162-A166 PolarHBondContact O-N 2.84Å; N162-A166 VanDerWaalsContact O-N 3.1Å; P163-A166 PolarHBondContact O-N 3.45Å; A166-L169 WeakPolarHBondContact O-CB 3.25Å; A166-L169 PolarHBondContact O-N 3.08Å; A166-L170 WeakPolarHBondContact O-CB 3.47Å; A166-L170 VanDerWaalsContact O-CG 3.24Å; A166-L170 WeakPolarHBondContact O-CG 3.43Å; A166-L170 PolarHBondContact O-N 3.22Å
167E85.9Confident83.2Confident139 Ų13967.3 Ų67.365%0.6536%0.36SS*.Hα-helixtrans-63.9-44.2174.7-74.6178.7-177.300111.6P163 L169 L170 S171P163-E167 WeakPolarHBondContact O-CG 3.32Å; P163-E167 PolarHBondContact O-N 3.38Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.18Å; E167-L170 PolarHBondContact O-N 2.78Å; E167-S171 WeakPolarHBondContact O-CB 3.36Å; E167-S171 PolarHBondContact O-N 3.41Å
168A84.6Confident83.4Confident9 Ų964.5 Ų64.57%0.07435%0.348CS..Hα-helixtrans-61.7-38.1175.200000111.8A164 L165 S171 V180A164-A168 PolarHBondContact O-N 3.17Å; A164-A168 VanDerWaalsContact O-N 3.17Å; L165-A168 PolarHBondContact O-N 3.09Å; A168-S171 PolarHBondContact O-OG 2.89Å; A168-V180 HydrophobicContact CB-CB 4.17Å; A168-V180 HydrophobicContact CB-CG2 3.95Å
169L85.3Confident83.5Confident2 Ų269.7 Ų69.71%0.0137%0.371CS..Hα-helixtrans-64.6-45.3175.5-175.769.2000112.1R145 L148 L149 L155 L158 L165 A166 E167 S171 G172 F177R145-L169 HydrophobicContact CB-CD1 4.2Å; R145-L169 HydrophobicContact CG-CD1 3.65Å; L148-L169 HydrophobicContact CB-CD2 3.81Å; L148-L169 HydrophobicContact CD1-CD2 4.38Å; L149-L169 HydrophobicContact CD1-CD1 4.42Å; L149-L169 HydrophobicContact CD2-CD1 4.33Å; L149-L169 HydrophobicContact CD2-CD2 4.26Å; L149-L169 HydrophobicContact CD2-CG 4.09Å; L149-L169 HydrophobicContact CG-CD1 4.1Å; L149-L169 HydrophobicContact CG-CG 4.39Å; L155-L169 HydrophobicContact CD1-CD2 4.19Å; L158-L169 HydrophobicContact CD2-CD2 3.87Å; L165-L169 WeakPolarHBondContact O-CB 3.17Å; L165-L169 PolarHBondContact O-N 3Å; A166-L169 WeakPolarHBondContact O-CB 3.25Å; A166-L169 PolarHBondContact O-N 3.08Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.18Å; L169-S171 VanDerWaalsContact C-N 3.34Å; L169-G172 PolarHBondContact O-N 2.89Å; L169-F177 HydrophobicContact CB-CD2 3.76Å; L169-F177 HydrophobicContact CB-CE2 3.92Å; L169-F177 HydrophobicContact CD1-CD2 3.74Å; L169-F177 HydrophobicContact CD1-CE2 3.58Å; L169-F177 HydrophobicContact CD1-CG 4.35Å; L169-F177 HydrophobicContact CD1-CZ 4.08Å; L169-F177 HydrophobicContact CG-CD2 4.38Å; L169-F177 HydrophobicContact CG-CE2 4.28Å
170L84Confident83.7Confident95 Ų9566.3 Ų66.350%0.49736%0.359SS..Hα-helixtrans-74.4-22.6-178.8-69.2171.3000113.4L155 K159 A166 E167 G172L155-L170 HydrophobicContact CD1-CD2 4.13Å; K159-L170 VanDerWaalsContact CE-CD1 3.47Å; A166-L170 WeakPolarHBondContact O-CB 3.47Å; A166-L170 VanDerWaalsContact O-CG 3.24Å; A166-L170 WeakPolarHBondContact O-CG 3.43Å; A166-L170 PolarHBondContact O-N 3.22Å; E167-L170 PolarHBondContact O-N 2.78Å; L170-G172 PolarHBondContact O-N 2.84Å; L170-G172 VanDerWaalsContact O-N 3.08Å
171S82.3Confident83.8Confident71 Ų7160.7 Ų60.750%0.49733%0.333SS..THydrogen-bonded Turntrans-61-15.3174.6790000113.3E167 A168 L169 S173 T176E167-S171 WeakPolarHBondContact O-CB 3.36Å; E167-S171 PolarHBondContact O-N 3.41Å; A168-S171 PolarHBondContact O-OG 2.89Å; L169-S171 VanDerWaalsContact C-N 3.34Å; S171-S173 PolarHBondContact O-N 3.04Å; S171-S173 VanDerWaalsContact O-N 3.16Å; S171-T176 PolarHBondContact OG-OG1 2.98Å; S171-T176 VanDerWaalsContact OG-OG1 3.09Å
172G75.7Confident84Confident46 Ų4656.2 Ų56.247%0.47432%0.322SS..  trans78.9-11175.500000114.7R145 L169 L170R145-G172 PolarHBondContact NH2-O 3.21Å; L169-G172 PolarHBondContact O-N 2.89Å; L170-G172 PolarHBondContact O-N 2.84Å; L170-G172 VanDerWaalsContact O-N 3.08Å
173S84.6Confident84.2Confident42 Ų4260 Ų6029%0.29434%0.338SS..  trans-85.3126.8175.8172.40000111.2S171 E175 T176 F177S171-S173 PolarHBondContact O-N 3.04Å; S171-S173 VanDerWaalsContact O-N 3.16Å; S173-E175 VanDerWaalsContact C-N 3.3Å; S173-E175 PolarHBondContact OG-N 3.33Å; S173-T176 VanDerWaalsContact CB-OG1 3.26Å; S173-T176 WeakPolarHBondContact CB-OG1 3.05Å; S173-T176 PolarHBondContact O-OG1 3.26Å; S173-T176 VanDerWaalsContact O-OG1 3.12Å; S173-T176 PolarHBondContact OG-N 2.81Å; S173-T176 PolarHBondContact OG-OG1 3.45Å; S173-F177 PolarHBondContact O-N 3.25Å
174L80.9Confident84Confident76 Ų7658.8 Ų58.840%0.39833%0.326SS..Hα-helixtrans-70.3-30.9175.8178.863.7000111.4A142 S178A142-L174 HydrophobicContact CB-CD1 4.24Å; A142-L174 HydrophobicContact CB-CD2 4.43Å; L174-S178 WeakPolarHBondContact O-CB 3.31Å; L174-S178 PolarHBondContact O-N 2.76Å
175E83.3Confident83.8Confident162 Ų16260.3 Ų60.376%0.75732%0.324SS*.Hα-helixtrans-70.3-46.1-177.6-72.5172.7158.900111.5S173 S178 Q179S173-E175 VanDerWaalsContact C-N 3.3Å; S173-E175 PolarHBondContact OG-N 3.33Å; E175-S178 PolarHBondContact O-N 3.35Å; E175-Q179 WeakPolarHBondContact O-CB 3.49Å; E175-Q179 PolarHBondContact O-N 3.35Å
176T82.3Confident83.7Confident56 Ų5667.9 Ų67.934%0.34435%0.352SS..Hα-helixtrans-64.9-44.2177.151.60000111.1S171 S173 Q179 V180S171-T176 PolarHBondContact OG-OG1 2.98Å; S171-T176 VanDerWaalsContact OG-OG1 3.09Å; S173-T176 VanDerWaalsContact CB-OG1 3.26Å; S173-T176 WeakPolarHBondContact CB-OG1 3.05Å; S173-T176 PolarHBondContact O-OG1 3.26Å; S173-T176 VanDerWaalsContact O-OG1 3.12Å; S173-T176 PolarHBondContact OG-N 2.81Å; S173-T176 PolarHBondContact OG-OG1 3.45Å; T176-Q179 PolarHBondContact O-N 3.46Å; T176-V180 WeakPolarHBondContact O-CG2 3.14Å; T176-V180 PolarHBondContact O-N 2.84Å; T176-V180 VanDerWaalsContact O-N 3.08Å
177F86.1Confident83.5Confident0 Ų072.4 Ų72.40%037%0.373CS..Hα-helixtrans-59.7-47174.7178.5-99000112.1P141 I144 R145 L148 L165 L169 S173 Q179 V180 L181P141-F177 WeakPolarHBondContact O-CE1 3.4Å; I144-F177 HydrophobicContact CG2-CE1 4.49Å; I144-F177 HydrophobicContact CG2-CZ 4.18Å; R145-F177 HydrophobicContact CB-CD1 3.82Å; R145-F177 HydrophobicContact CB-CE1 3.6Å; R145-F177 HydrophobicContact CB-CZ 4.22Å; R145-F177 HydrophobicContact CG-CD1 4.39Å; L148-F177 HydrophobicContact CD1-CE2 4.27Å; L148-F177 HydrophobicContact CD1-CZ 3.94Å; L165-F177 HydrophobicContact CD1-CD2 3.75Å; L165-F177 HydrophobicContact CD1-CE2 3.48Å; L165-F177 VanDerWaalsContact CD1-CE2 3.48Å; L165-F177 HydrophobicContact CD1-CZ 4.22Å; L165-F177 HydrophobicContact CG-CE2 3.94Å; L169-F177 HydrophobicContact CB-CD2 3.76Å; L169-F177 HydrophobicContact CB-CE2 3.92Å; L169-F177 HydrophobicContact CD1-CD2 3.74Å; L169-F177 HydrophobicContact CD1-CE2 3.58Å; L169-F177 HydrophobicContact CD1-CG 4.35Å; L169-F177 HydrophobicContact CD1-CZ 4.08Å; L169-F177 HydrophobicContact CG-CD2 4.38Å; L169-F177 HydrophobicContact CG-CE2 4.28Å; S173-F177 PolarHBondContact O-N 3.25Å; F177-Q179 VanDerWaalsContact C-N 3.32Å; F177-Q179 PolarHBondContact O-N 3.08Å; F177-V180 PolarHBondContact O-N 3.36Å; F177-L181 HydrophobicContact CE1-CD2 3.96Å; F177-L181 HydrophobicContact CZ-CD2 4.31Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 PolarHBondContact O-N 3.5Å
178S84.9Confident83.1Confident26 Ų2673.7 Ų73.718%0.18237%0.372CS..Hα-helixtrans-63.5-38.4178.8-175.70000112.2P141 L174 E175 M182P141-S178 VanDerWaalsContact CG-OG 3.29Å; P141-S178 WeakPolarHBondContact CG-OG 3.32Å; L174-S178 WeakPolarHBondContact O-CB 3.31Å; L174-S178 PolarHBondContact O-N 2.76Å; E175-S178 PolarHBondContact O-N 3.35Å; S178-M182 WeakPolarHBondContact O-CB 3.25Å; S178-M182 VanDerWaalsContact O-CG 3.29Å; S178-M182 WeakPolarHBondContact O-CG 3.37Å; S178-M182 PolarHBondContact O-N 3.27Å
179Q86.3Confident82.9Confident132 Ų13275.5 Ų75.562%0.61739%0.387SS*.Hα-helixtrans-64.9-50.7179.5-175.8175.8-0.600111E175 T176 F177 L181 M182 E183E175-Q179 WeakPolarHBondContact O-CB 3.49Å; E175-Q179 PolarHBondContact O-N 3.35Å; T176-Q179 PolarHBondContact O-N 3.46Å; F177-Q179 VanDerWaalsContact C-N 3.32Å; F177-Q179 PolarHBondContact O-N 3.08Å; Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-L181 PolarHBondContact O-N 3.3Å; Q179-M182 PolarHBondContact O-N 3Å; Q179-E183 WeakPolarHBondContact O-CB 3.36Å; Q179-E183 PolarHBondContact O-N 3.39Å
180V85.9Confident82.9Confident36 Ų3680.4 Ų80.422%0.21841%0.412CS..Hα-helixtrans-63.5-41.4179177.20000111L165 A168 T176 F177 E183 Q184L165-V180 HydrophobicContact CB-CG1 4.31Å; L165-V180 HydrophobicContact CD1-CB 4.27Å; L165-V180 HydrophobicContact CD1-CG1 3.96Å; A168-V180 HydrophobicContact CB-CB 4.17Å; A168-V180 HydrophobicContact CB-CG2 3.95Å; T176-V180 WeakPolarHBondContact O-CG2 3.14Å; T176-V180 PolarHBondContact O-N 2.84Å; T176-V180 VanDerWaalsContact O-N 3.08Å; F177-V180 PolarHBondContact O-N 3.36Å; V180-E183 PolarHBondContact O-N 3.47Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 WeakPolarHBondContact O-CG 3.49Å; V180-Q184 PolarHBondContact O-N 3.31Å
181L84.4Confident82.6Confident14 Ų1482.4 Ų82.47%0.07341%0.413CS..Hα-helixtrans-62.8-45.9177.4-174.571.3000111.9P141 I144 L165 F177 Q179 Q184 Q185P141-L181 HydrophobicContact CB-CD2 4.11Å; P141-L181 HydrophobicContact CG-CD2 4.41Å; I144-L181 HydrophobicContact CB-CD2 4.41Å; I144-L181 HydrophobicContact CD1-CD2 3.87Å; I144-L181 HydrophobicContact CG2-CD2 4.29Å; L165-L181 HydrophobicContact CD1-CB 4.06Å; L165-L181 HydrophobicContact CD1-CD1 4.24Å; L165-L181 HydrophobicContact CD2-CD1 3.82Å; F177-L181 HydrophobicContact CE1-CD2 3.96Å; F177-L181 HydrophobicContact CZ-CD2 4.31Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 PolarHBondContact O-N 3.5Å; Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-L181 PolarHBondContact O-N 3.3Å; L181-Q184 PolarHBondContact O-N 3.29Å; L181-Q185 WeakPolarHBondContact O-CB 3.35Å; L181-Q185 VanDerWaalsContact O-CG 3.3Å; L181-Q185 WeakPolarHBondContact O-CG 3.22Å; L181-Q185 PolarHBondContact O-N 3.32Å
182M84.9Confident82.1Confident94 Ų9483.9 Ų83.946%0.46341%0.412SS..Hα-helixtrans-68.2-35.7178.7-76.3-169.6-178.800112.4P141 S178 Q179 R186P141-M182 HydrophobicContact CG-CE 4.01Å; S178-M182 WeakPolarHBondContact O-CB 3.25Å; S178-M182 VanDerWaalsContact O-CG 3.29Å; S178-M182 WeakPolarHBondContact O-CG 3.37Å; S178-M182 PolarHBondContact O-N 3.27Å; Q179-M182 PolarHBondContact O-N 3Å; M182-R186 VanDerWaalsContact O-CB 3.27Å; M182-R186 WeakPolarHBondContact O-CB 3.42Å; M182-R186 PolarHBondContact O-N 3.49Å
183E85.5Confident82Confident120 Ų12088.5 Ų88.556%0.56142%0.421SS*.Hα-helixtrans-65-46.7175.7-175.3162.6-152.100111.1Q179 V180 R186 E187Q179-E183 WeakPolarHBondContact O-CB 3.36Å; Q179-E183 PolarHBondContact O-N 3.39Å; V180-E183 PolarHBondContact O-N 3.47Å; E183-R186 PolarHBondContact O-N 3.46Å; E183-E187 WeakPolarHBondContact O-CB 3.43Å; E183-E187 PolarHBondContact O-N 2.81Å
184Q82.9Confident81.3Confident50 Ų5092 Ų9223%0.23443%0.433CS..Hα-helixtrans-65-40.6175.2-73.7-176.2-6.100112.9N162 V180 L181 R186 E187 R188N162-Q184 VanDerWaalsContact ND2-CD 3.28Å; N162-Q184 PolarHBondContact ND2-NE2 3.02Å; N162-Q184 VanDerWaalsContact ND2-NE2 3.17Å; N162-Q184 PolarHBondContact ND2-OE1 3.26Å; N162-Q184 PolarHBondContact OD1-NE2 3.2Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 WeakPolarHBondContact O-CG 3.49Å; V180-Q184 PolarHBondContact O-N 3.31Å; L181-Q184 PolarHBondContact O-N 3.29Å; Q184-R186 VanDerWaalsContact C-N 3.32Å; Q184-R186 PolarHBondContact O-N 2.81Å; Q184-E187 PolarHBondContact O-N 3.47Å; Q184-R188 VanDerWaalsContact O-CB 3.25Å; Q184-R188 WeakPolarHBondContact O-CB 3.05Å; Q184-R188 PolarHBondContact O-N 2.88Å
185Q79.2Confident80.5Confident83 Ų8393 Ų9339%0.38844%0.437SS..Hα-helixtrans-62.9-40.3174.4-78.9-178.8-12.300111.5L181 A189L181-Q185 WeakPolarHBondContact O-CB 3.35Å; L181-Q185 VanDerWaalsContact O-CG 3.3Å; L181-Q185 WeakPolarHBondContact O-CG 3.22Å; L181-Q185 PolarHBondContact O-N 3.32Å; Q185-A189 WeakPolarHBondContact O-CB 3.31Å; Q185-A189 PolarHBondContact O-N 3.02Å
186R83.8Confident79.7Confident170 Ų17089.7 Ų89.764%0.64243%0.428SS*.Hα-helixtrans-66.3-44.8176.7-173.5-176.2-66.2139.30.3111M182 E183 Q184 R188 A189 L190M182-R186 VanDerWaalsContact O-CB 3.27Å; M182-R186 WeakPolarHBondContact O-CB 3.42Å; M182-R186 PolarHBondContact O-N 3.49Å; E183-R186 PolarHBondContact O-N 3.46Å; Q184-R186 VanDerWaalsContact C-N 3.32Å; Q184-R186 PolarHBondContact O-N 2.81Å; R186-R188 VanDerWaalsContact C-N 3.35Å; R186-A189 PolarHBondContact O-N 2.94Å; R186-L190 WeakPolarHBondContact O-CB 3.3Å; R186-L190 PolarHBondContact O-N 2.77Å
187E81.2Confident79.1Confident97 Ų9796.4 Ų96.445%0.45345%0.447SS..Hα-helixtrans-64.1-41.7178.6-160.7-165.4-164.700111.4E183 Q184 L190 R191E183-E187 WeakPolarHBondContact O-CB 3.43Å; E183-E187 PolarHBondContact O-N 2.81Å; Q184-E187 PolarHBondContact O-N 3.47Å; E187-L190 PolarHBondContact O-N 2.91Å; E187-R191 VanDerWaalsContact CD-CZ 3.43Å; E187-R191 WeakPolarHBondContact O-CG 3.42Å; E187-R191 PolarHBondContact O-N 2.92Å; E187-R191 IonicContact OE1-CZ 3.51Å; E187-R191 IonicContact OE1-NH1 3.84Å; E187-R191 PolarHBondContact OE1-NH1 2.78Å; E187-R191 IonicContact OE1-NH2 2.87Å; E187-R191 PolarHBondContact OE1-NH2 3.5Å; E187-R191 IonicContact OE2-CZ 3.57Å; E187-R191 IonicContact OE2-NH1 2.72Å; E187-R191 PolarHBondContact OE2-NH1 3.42Å; E187-R191 IonicContact OE2-NH2 3.91Å; E187-R191 PolarHBondContact OE2-NH2 3.29Å
188R77.3Confident77.6Confident167 Ų16798.6 Ų98.663%0.6346%0.458SS*.Hα-helixtrans-63.3-46.8173.8-166.1-177.9-160.5176.88.8111.6Q184 R186 L190 R191 E192Q184-R188 VanDerWaalsContact O-CB 3.25Å; Q184-R188 WeakPolarHBondContact O-CB 3.05Å; Q184-R188 PolarHBondContact O-N 2.88Å; R186-R188 VanDerWaalsContact C-N 3.35Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 PolarHBondContact O-N 2.55Å; R188-R191 PolarHBondContact O-N 2.88Å; R188-E192 WeakPolarHBondContact CG-OE1 3.19Å; R188-E192 IonicContact NE-OE1 3.5Å; R188-E192 PolarHBondContact NE-OE1 3.46Å; R188-E192 WeakPolarHBondContact O-CB 3.49Å; R188-E192 WeakPolarHBondContact O-CG 3.34Å; R188-E192 PolarHBondContact O-N 3.36Å
189A80.1Confident76.2Confident47 Ų47103.6 Ų103.639%0.38847%0.474SS..Hα-helixtrans-62.2-36.3176.300000111.6Q185 R186 Q193Q185-A189 WeakPolarHBondContact O-CB 3.31Å; Q185-A189 PolarHBondContact O-N 3.02Å; R186-A189 PolarHBondContact O-N 2.94Å; A189-Q193 WeakPolarHBondContact O-CB 3.24Å; A189-Q193 PolarHBondContact O-N 2.78Å
190L84.9Confident75Confident105 Ų105101.6 Ų101.655%0.5547%0.474SS..Hα-helixtrans-67.1-45.4176.8-144.5111000111R186 E187 R188 Q193 E194R186-L190 WeakPolarHBondContact O-CB 3.3Å; R186-L190 PolarHBondContact O-N 2.77Å; E187-L190 PolarHBondContact O-N 2.91Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 PolarHBondContact O-N 2.55Å; L190-Q193 PolarHBondContact O-N 2.56Å; L190-E194 VanDerWaalsContact O-CB 3.25Å; L190-E194 WeakPolarHBondContact O-CB 3.32Å; L190-E194 PolarHBondContact O-N 3.5Å
191R77.9Confident73.4Confident137 Ų137101.8 Ų101.852%0.51748%0.48SS..Hα-helixtrans-61.5-45.4174-73.2-178.5-175.9110.12.9111.8E187 R188 Q193 E194 M195E187-R191 VanDerWaalsContact CD-CZ 3.43Å; E187-R191 WeakPolarHBondContact O-CG 3.42Å; E187-R191 PolarHBondContact O-N 2.92Å; E187-R191 IonicContact OE1-CZ 3.51Å; E187-R191 IonicContact OE1-NH1 3.84Å; E187-R191 PolarHBondContact OE1-NH1 2.78Å; E187-R191 IonicContact OE1-NH2 2.87Å; E187-R191 PolarHBondContact OE1-NH2 3.5Å; E187-R191 IonicContact OE2-CZ 3.57Å; E187-R191 IonicContact OE2-NH1 2.72Å; E187-R191 PolarHBondContact OE2-NH1 3.42Å; E187-R191 IonicContact OE2-NH2 3.91Å; E187-R191 PolarHBondContact OE2-NH2 3.29Å; R188-R191 PolarHBondContact O-N 2.88Å; R191-Q193 VanDerWaalsContact C-N 3.32Å; R191-Q193 PolarHBondContact O-N 3.26Å; R191-E194 PolarHBondContact O-N 3.26Å; R191-M195 WeakPolarHBondContact O-CB 3.49Å; R191-M195 PolarHBondContact O-N 2.8Å
192E71.6Confident72.2Confident101 Ų101106.2 Ų106.247%0.47250%0.504SS..Hα-helixtrans-62.4-41.2176.7-76.5172.5-169.900110.9R188 M195 V196R188-E192 WeakPolarHBondContact CG-OE1 3.19Å; R188-E192 IonicContact NE-OE1 3.5Å; R188-E192 PolarHBondContact NE-OE1 3.46Å; R188-E192 WeakPolarHBondContact O-CB 3.49Å; R188-E192 WeakPolarHBondContact O-CG 3.34Å; R188-E192 PolarHBondContact O-N 3.36Å; E192-M195 PolarHBondContact O-N 3.49Å; E192-V196 WeakPolarHBondContact O-CB 3.17Å; E192-V196 WeakPolarHBondContact O-CG2 3.45Å; E192-V196 PolarHBondContact O-N 2.9Å
193Q74.6Confident70.8Confident143 Ų143107.2 Ų107.267%0.66852%0.517SS*.Hα-helixtrans-73-35.3179.4-162.3173.94100112.3A189 L190 R191 R197A189-Q193 WeakPolarHBondContact O-CB 3.24Å; A189-Q193 PolarHBondContact O-N 2.78Å; L190-Q193 PolarHBondContact O-N 2.56Å; R191-Q193 VanDerWaalsContact C-N 3.32Å; R191-Q193 PolarHBondContact O-N 3.26Å; Q193-R197 WeakPolarHBondContact O-CB 3.35Å; Q193-R197 PolarHBondContact O-N 2.73Å
194E70.3Confident69.5Low116 Ų116110.4 Ų110.454%0.54253%0.529SS..Hα-helixtrans-66.4-42.8172.3-172.2168.8-15800111.1L190 R191 R197 L198L190-E194 VanDerWaalsContact O-CB 3.25Å; L190-E194 WeakPolarHBondContact O-CB 3.32Å; L190-E194 PolarHBondContact O-N 3.5Å; R191-E194 PolarHBondContact O-N 3.26Å; E194-R197 PolarHBondContact O-N 2.83Å; E194-L198 PolarHBondContact O-N 2.87Å
195M64.1Low68.9Low98 Ų98111.4 Ų111.448%0.48354%0.536SS..Hα-helixtrans-64.5-49.9175.4-164.8-86.7-85.300110.7R191 E192 R197 L198 Y199R191-M195 WeakPolarHBondContact O-CB 3.49Å; R191-M195 PolarHBondContact O-N 2.8Å; E192-M195 PolarHBondContact O-N 3.49Å; M195-R197 VanDerWaalsContact C-N 3.28Å; M195-R197 PolarHBondContact O-N 2.7Å; M195-L198 WeakPolarHBondContact O-CA 3.07Å; M195-L198 VanDerWaalsContact O-CB 3.3Å; M195-L198 WeakPolarHBondContact O-CB 3.02Å; M195-L198 PolarHBondContact O-N 2.72Å; M195-Y199 HydrophobicContact CG-CD2 4.04Å; M195-Y199 HydrophobicContact CG-CE2 3.88Å; M195-Y199 VanDerWaalsContact O-CD2 3.29Å; M195-Y199 WeakPolarHBondContact O-CD2 3.21Å; M195-Y199 PolarHBondContact O-N 2.92Å; M195-Y199 HydrophobicContact SD-CD2 3.17Å; M195-Y199 WeakPolarHBondContact SD-CD2 3.13Å; M195-Y199 HydrophobicContact SD-CE2 3.11Å; M195-Y199 WeakPolarHBondContact SD-CE2 3.2Å; M195-Y199 HydrophobicContact SD-CG 4.34Å
196V65.8Low68.4Low92 Ų92115.5 Ų115.556%0.55856%0.555SS**Hα-helixtrans-58.4-39.5173.4168.80000111.8E192 L198 Y199 S200E192-V196 WeakPolarHBondContact O-CB 3.17Å; E192-V196 WeakPolarHBondContact O-CG2 3.45Å; E192-V196 PolarHBondContact O-N 2.9Å; V196-L198 VanDerWaalsContact C-N 3.33Å; V196-L198 PolarHBondContact O-N 2.92Å; V196-Y199 PolarHBondContact O-N 3.05Å; V196-S200 VanDerWaalsContact O-CB 3.24Å; V196-S200 WeakPolarHBondContact O-CB 3.36Å; V196-S200 PolarHBondContact O-N 2.91Å; V196-S200 PolarHBondContact O-OG 2.83Å
197R68.6Low68.1Low197 Ų197112.9 Ų112.974%0.74355%0.55SS**Hα-helixtrans-63.6-40.4176.5-169.3177-178.4-178.9-0.9111.3Q193 E194 M195 S200 A201Q193-R197 WeakPolarHBondContact O-CB 3.35Å; Q193-R197 PolarHBondContact O-N 2.73Å; E194-R197 PolarHBondContact O-N 2.83Å; M195-R197 VanDerWaalsContact C-N 3.28Å; M195-R197 PolarHBondContact O-N 2.7Å; R197-S200 WeakPolarHBondContact CA-OG 3.49Å; R197-S200 PolarHBondContact O-N 2.81Å; R197-S200 PolarHBondContact O-OG 3.1Å; R197-A201 PolarHBondContact O-N 3.26Å
198L56Low67.6Low46 Ų46108.8 Ų108.824%0.24153%0.533CS..Hα-helixtrans-63.9-44.9174.4-137.588000112.4E194 M195 V196 S200 A201 A208E194-L198 PolarHBondContact O-N 2.87Å; M195-L198 WeakPolarHBondContact O-CA 3.07Å; M195-L198 VanDerWaalsContact O-CB 3.3Å; M195-L198 WeakPolarHBondContact O-CB 3.02Å; M195-L198 PolarHBondContact O-N 2.72Å; V196-L198 VanDerWaalsContact C-N 3.33Å; V196-L198 PolarHBondContact O-N 2.92Å; L198-S200 VanDerWaalsContact C-N 3.25Å; L198-S200 PolarHBondContact O-N 2.99Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 2.88Å; L198-A208 HydrophobicContact CD2-CB 4.19Å; L198-A208 HydrophobicContact CG-CB 4.18Å
199Y54.5Low67.4Low131 Ų131106.1 Ų106.151%0.51453%0.528SS..Hα-helixtrans-70-21.4176.2-84.9-88.2000113.1M195 V196 I212M195-Y199 HydrophobicContact CG-CD2 4.04Å; M195-Y199 HydrophobicContact CG-CE2 3.88Å; M195-Y199 VanDerWaalsContact O-CD2 3.29Å; M195-Y199 WeakPolarHBondContact O-CD2 3.21Å; M195-Y199 PolarHBondContact O-N 2.92Å; M195-Y199 HydrophobicContact SD-CD2 3.17Å; M195-Y199 WeakPolarHBondContact SD-CD2 3.13Å; M195-Y199 HydrophobicContact SD-CE2 3.11Å; M195-Y199 WeakPolarHBondContact SD-CE2 3.2Å; M195-Y199 HydrophobicContact SD-CG 4.34Å; V196-Y199 PolarHBondContact O-N 3.05Å; Y199-I212 HydrophobicContact CE1-CD1 4.29Å; Y199-I212 HydrophobicContact CE1-CG1 4.36Å
200S61.5Low67.5Low89 Ų89106.4 Ų106.462%0.62253%0.53SS*.THydrogen-bonded Turntrans-91.1-9.1175.274.10000113.8V196 R197 L198V196-S200 VanDerWaalsContact O-CB 3.24Å; V196-S200 WeakPolarHBondContact O-CB 3.36Å; V196-S200 PolarHBondContact O-N 2.91Å; V196-S200 PolarHBondContact O-OG 2.83Å; R197-S200 WeakPolarHBondContact CA-OG 3.49Å; R197-S200 PolarHBondContact O-N 2.81Å; R197-S200 PolarHBondContact O-OG 3.1Å; L198-S200 VanDerWaalsContact C-N 3.25Å; L198-S200 PolarHBondContact O-N 2.99Å
201A52.9Low67.3Low40 Ų40107.2 Ų107.233%0.33153%0.526SS..SBendtrans-75.6154.9173.400000110.5R197 L198R197-A201 PolarHBondContact O-N 3.26Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 2.88Å
202D57.3Low67.3Low108 Ų108103 Ų10358%0.57851%0.514SS*.  trans-41.1130.7-173.3-162-17.8000112.9F204 D205D202-F204 PolarHBondContact O-N 2.98Å; D202-D205 WeakPolarHBondContact O-CB 3.3Å; D202-D205 PolarHBondContact O-N 2.92Å
203P56.6Low67.9Low115 Ų115104.5 Ų104.575%0.74752%0.52SS*.THydrogen-bonded Turntrans-52.6-7.7176.8-28.734.2000116.5
204F57.4Low68.5Low186 Ų186101.3 Ų101.382%0.81651%0.506SS*.THydrogen-bonded Turntrans-106.19.1177.1-60.8-76000114D202 Q206D202-F204 PolarHBondContact O-N 2.98Å; F204-Q206 PolarHBondContact O-N 2.84Å
205D70.1Confident69.1Low71 Ų71100.6 Ų100.638%0.3850%0.502SS..  trans-73.5110.7175.9-163.2-8.2000110.8D202 E207 A208 Q209D202-D205 WeakPolarHBondContact O-CB 3.3Å; D202-D205 PolarHBondContact O-N 2.92Å; D205-E207 PolarHBondContact O-N 3.47Å; D205-A208 HydrophobicContact CB-CB 4.24Å; D205-A208 PolarHBondContact O-N 2.88Å; D205-Q209 PolarHBondContact O-N 3.03Å; D205-Q209 VanDerWaalsContact O-N 3.09Å
206Q69.4Low70.2Confident169 Ų169100 Ų10079%0.7950%0.5SS*.Hα-helixtrans-64.1-29.3-171.7-169.1172.19.500112.5F204 A210F204-Q206 PolarHBondContact O-N 2.84Å; Q206-A210 WeakPolarHBondContact O-CB 3.2Å; Q206-A210 PolarHBondContact O-N 3.09Å; Q206-A210 VanDerWaalsContact O-N 3.11Å
207E76.9Confident71.5Confident115 Ų115101.8 Ų101.854%0.53750%0.497SS..Hα-helixtrans-76.1-38178.6-164.7178.816400111.9D205 A210 R211D205-E207 PolarHBondContact O-N 3.47Å; E207-A210 PolarHBondContact O-N 2.98Å; E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 3.43Å; E207-R211 VanDerWaalsContact O-N 3.14Å; E207-R211 IonicContact OE1-CZ 2.68Å; E207-R211 IonicContact OE1-NE 3.48Å; E207-R211 IonicContact OE1-NH2 2.9Å; E207-R211 PolarHBondContact OE1-NH2 3.37Å
208A71.3Confident72.5Confident11 Ų1197 Ų979%0.09148%0.483CS..Hα-helixtrans-65.8-43.8174.600000111.1L198 D205 A210 R211 I212L198-A208 HydrophobicContact CD2-CB 4.19Å; L198-A208 HydrophobicContact CG-CB 4.18Å; D205-A208 HydrophobicContact CB-CB 4.24Å; D205-A208 PolarHBondContact O-N 2.88Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.15Å; A208-R211 PolarHBondContact O-N 2.83Å; A208-I212 VanDerWaalsContact O-CG1 3.28Å; A208-I212 WeakPolarHBondContact O-CG1 3.23Å; A208-I212 PolarHBondContact O-N 3.49Å
209Q72.2Confident74Confident112 Ų11299.9 Ų99.952%0.52350%0.495SS..Hα-helixtrans-62.6-39.8177-167.466.113.700112.3D205 I212 E213D205-Q209 PolarHBondContact O-N 3.03Å; D205-Q209 VanDerWaalsContact O-N 3.09Å; Q209-I212 PolarHBondContact O-N 2.92Å; Q209-E213 WeakPolarHBondContact O-CB 3.05Å; Q209-E213 PolarHBondContact O-N 3.36Å
210A82.9Confident75.7Confident53 Ų5398.1 Ų98.144%0.43849%0.494SS..Hα-helixtrans-65.8-37.4176.800000112.7Q206 E207 A208 E213 E214Q206-A210 WeakPolarHBondContact O-CB 3.2Å; Q206-A210 PolarHBondContact O-N 3.09Å; Q206-A210 VanDerWaalsContact O-N 3.11Å; E207-A210 PolarHBondContact O-N 2.98Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.15Å; A210-E213 PolarHBondContact O-N 3.13Å; A210-E214 PolarHBondContact O-N 3.29Å
211R80.4Confident77.1Confident122 Ų12298 Ų9846%0.4649%0.486SS..Hα-helixtrans-69.9-40175.5-68.7-173.1-163.8-172.92.2112E207 A208 E213 E214 E215E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 3.43Å; E207-R211 VanDerWaalsContact O-N 3.14Å; E207-R211 IonicContact OE1-CZ 2.68Å; E207-R211 IonicContact OE1-NE 3.48Å; E207-R211 IonicContact OE1-NH2 2.9Å; E207-R211 PolarHBondContact OE1-NH2 3.37Å; A208-R211 PolarHBondContact O-N 2.83Å; R211-E213 VanDerWaalsContact C-N 3.34Å; R211-E214 PolarHBondContact O-N 3.06Å; R211-E215 WeakPolarHBondContact O-CB 3.43Å; R211-E215 PolarHBondContact O-N 2.69Å
212I77.8Confident78.8Confident49 Ų49101.9 Ų101.925%0.25150%0.497SS..Hα-helixtrans-62.1-43174-67.6165000110.5Y199 A208 Q209 E215 I216Y199-I212 HydrophobicContact CE1-CD1 4.29Å; Y199-I212 HydrophobicContact CE1-CG1 4.36Å; A208-I212 VanDerWaalsContact O-CG1 3.28Å; A208-I212 WeakPolarHBondContact O-CG1 3.23Å; A208-I212 PolarHBondContact O-N 3.49Å; Q209-I212 PolarHBondContact O-N 2.92Å; I212-E215 PolarHBondContact O-N 3.01Å; I212-I216 HydrophobicContact CG2-CD1 3.78Å; I212-I216 HydrophobicContact CG2-CG1 4.46Å; I212-I216 WeakPolarHBondContact O-CB 3.2Å; I212-I216 VanDerWaalsContact O-CG1 3.27Å; I212-I216 WeakPolarHBondContact O-CG1 3.45Å; I212-I216 PolarHBondContact O-N 2.86Å
213E84.6Confident80.3Confident132 Ų132102.5 Ų102.562%0.61750%0.497SS*.Hα-helixtrans-61.8-45.1176.5-176.1178.5-178.600112.1Q209 A210 R211 E215 I216 R217Q209-E213 WeakPolarHBondContact O-CB 3.05Å; Q209-E213 PolarHBondContact O-N 3.36Å; A210-E213 PolarHBondContact O-N 3.13Å; R211-E213 VanDerWaalsContact C-N 3.34Å; E213-E215 PolarHBondContact O-N 2.91Å; E213-I216 PolarHBondContact O-N 3.46Å; E213-R217 WeakPolarHBondContact O-CB 3.46Å; E213-R217 PolarHBondContact O-N 3.22Å
214E87.3Confident81.9Confident76 Ų76102.2 Ų102.236%0.35549%0.489SS..Hα-helixtrans-64.4-40.1177.3-176.358.9-157.100111.7A210 R211 R217 Q218A210-E214 PolarHBondContact O-N 3.29Å; R211-E214 PolarHBondContact O-N 3.06Å; E214-R217 VanDerWaalsContact CD-NH2 3.31Å; E214-R217 WeakPolarHBondContact O-CB 3.36Å; E214-R217 PolarHBondContact O-N 3.13Å; E214-R217 IonicContact OE1-CZ 3.23Å; E214-R217 IonicContact OE1-NE 2.66Å; E214-R217 PolarHBondContact OE1-NE 2.97Å; E214-R217 IonicContact OE1-NH2 3.14Å; E214-R217 PolarHBondContact OE1-NH2 3.15Å; E214-R217 IonicContact OE2-CZ 3.09Å; E214-R217 IonicContact OE2-NE 2.68Å; E214-R217 PolarHBondContact OE2-NE 3.08Å; E214-R217 IonicContact OE2-NH2 3.52Å; E214-R217 PolarHBondContact OE2-NH2 2.92Å; E214-Q218 VanDerWaalsContact O-CG 3.31Å; E214-Q218 WeakPolarHBondContact O-CG 3.49Å; E214-Q218 PolarHBondContact O-N 3.06Å; E214-Q218 PolarHBondContact OE1-NE2 3.01Å
215E84.1Confident83.2Confident101 Ų10198 Ų9847%0.47247%0.473SS..Hα-helixtrans-66.6-41.7178.5-164.2162.8-157.900111.7R211 I212 E213 R217 Q218 Q219R211-E215 WeakPolarHBondContact O-CB 3.43Å; R211-E215 PolarHBondContact O-N 2.69Å; I212-E215 PolarHBondContact O-N 3.01Å; E213-E215 PolarHBondContact O-N 2.91Å; E215-R217 VanDerWaalsContact C-N 3.32Å; E215-R217 PolarHBondContact O-N 2.66Å; E215-Q218 PolarHBondContact O-N 2.74Å; E215-Q219 WeakPolarHBondContact O-CB 3.36Å; E215-Q219 VanDerWaalsContact O-CG 3.31Å; E215-Q219 WeakPolarHBondContact O-CG 3.35Å; E215-Q219 PolarHBondContact O-N 3.07Å
216I87.2Confident83.9Confident85 Ų8598.6 Ų98.644%0.43648%0.476SS..Hα-helixtrans-62.8-40.5171.9-68.8167.5000110.7I212 E213 Q219 N220I212-I216 HydrophobicContact CG2-CD1 3.78Å; I212-I216 HydrophobicContact CG2-CG1 4.46Å; I212-I216 WeakPolarHBondContact O-CB 3.2Å; I212-I216 VanDerWaalsContact O-CG1 3.27Å; I212-I216 WeakPolarHBondContact O-CG1 3.45Å; I212-I216 PolarHBondContact O-N 2.86Å; E213-I216 PolarHBondContact O-N 3.46Å; I216-Q219 PolarHBondContact O-N 3.2Å; I216-N220 WeakPolarHBondContact O-CB 3.43Å; I216-N220 PolarHBondContact O-N 2.95Å; I216-N220 PolarHBondContact O-ND2 3.43Å
217R92.1Very high84.6Confident130 Ų13094.7 Ų94.749%0.49146%0.46SS..Hα-helixtrans-61.7-47.7177.7-171.7-179.577.5137.63.9111.1E213 E214 E215 N220 I221E213-R217 WeakPolarHBondContact O-CB 3.46Å; E213-R217 PolarHBondContact O-N 3.22Å; E214-R217 VanDerWaalsContact CD-NH2 3.31Å; E214-R217 WeakPolarHBondContact O-CB 3.36Å; E214-R217 PolarHBondContact O-N 3.13Å; E214-R217 IonicContact OE1-CZ 3.23Å; E214-R217 IonicContact OE1-NE 2.66Å; E214-R217 PolarHBondContact OE1-NE 2.97Å; E214-R217 IonicContact OE1-NH2 3.14Å; E214-R217 PolarHBondContact OE1-NH2 3.15Å; E214-R217 IonicContact OE2-CZ 3.09Å; E214-R217 IonicContact OE2-NE 2.68Å; E214-R217 PolarHBondContact OE2-NE 3.08Å; E214-R217 IonicContact OE2-NH2 3.52Å; E214-R217 PolarHBondContact OE2-NH2 2.92Å; E215-R217 VanDerWaalsContact C-N 3.32Å; E215-R217 PolarHBondContact O-N 2.66Å; R217-N220 PolarHBondContact O-N 2.85Å; R217-I221 HydrophobicContact CG-CD1 4.08Å; R217-I221 VanDerWaalsContact O-CG1 3.26Å; R217-I221 WeakPolarHBondContact O-CG1 3.3Å; R217-I221 PolarHBondContact O-N 3.41Å
218Q89.8Confident84.8Confident95 Ų9590.5 Ų90.544%0.44445%0.445SS..Hα-helixtrans-61.9-44.3177.6-68.2-65.9-20.400111.2E214 E215 N220 I221 E222E214-Q218 VanDerWaalsContact O-CG 3.31Å; E214-Q218 WeakPolarHBondContact O-CG 3.49Å; E214-Q218 PolarHBondContact O-N 3.06Å; E214-Q218 PolarHBondContact OE1-NE2 3.01Å; E215-Q218 PolarHBondContact O-N 2.74Å; Q218-N220 PolarHBondContact O-N 2.91Å; Q218-I221 WeakPolarHBondContact O-CB 3.39Å; Q218-I221 PolarHBondContact O-N 3.22Å; Q218-E222 WeakPolarHBondContact O-CB 3.24Å; Q218-E222 PolarHBondContact O-N 3.32Å
219Q88.4Confident85.2Confident108 Ų10894.7 Ų94.751%0.50546%0.463SS..Hα-helixtrans-59.6-44.6175.7-74.7174.75.400112.2E215 I216 I221 E222 E223E215-Q219 WeakPolarHBondContact O-CB 3.36Å; E215-Q219 VanDerWaalsContact O-CG 3.31Å; E215-Q219 WeakPolarHBondContact O-CG 3.35Å; E215-Q219 PolarHBondContact O-N 3.07Å; I216-Q219 PolarHBondContact O-N 3.2Å; Q219-I221 VanDerWaalsContact C-N 3.3Å; Q219-I221 PolarHBondContact O-N 2.88Å; Q219-E222 PolarHBondContact O-N 3.13Å; Q219-E223 VanDerWaalsContact O-CB 3.32Å; Q219-E223 WeakPolarHBondContact O-CB 3.36Å; Q219-E223 PolarHBondContact O-N 3.41Å
220N90.1Very high85.4Confident93 Ų9396.8 Ų96.850%0.49747%0.474SS..Hα-helixtrans-63.3-37.3176.8-71.2-22.9000112.1I216 R217 Q218 N224I216-N220 WeakPolarHBondContact O-CB 3.43Å; I216-N220 PolarHBondContact O-N 2.95Å; I216-N220 PolarHBondContact O-ND2 3.43Å; R217-N220 PolarHBondContact O-N 2.85Å; Q218-N220 PolarHBondContact O-N 2.91Å; N220-N224 VanDerWaalsContact O-CB 3.23Å; N220-N224 WeakPolarHBondContact O-CB 3.4Å; N220-N224 PolarHBondContact O-N 3.35Å
221I91.2Very high85.3Confident87 Ų87101.8 Ų101.845%0.44649%0.488SS..Hα-helixtrans-65.7-46.5175.8-69.2164.6000110.1R217 Q218 Q219 N224 M225R217-I221 HydrophobicContact CG-CD1 4.08Å; R217-I221 VanDerWaalsContact O-CG1 3.26Å; R217-I221 WeakPolarHBondContact O-CG1 3.3Å; R217-I221 PolarHBondContact O-N 3.41Å; Q218-I221 WeakPolarHBondContact O-CB 3.39Å; Q218-I221 PolarHBondContact O-N 3.22Å; Q219-I221 VanDerWaalsContact C-N 3.3Å; Q219-I221 PolarHBondContact O-N 2.88Å; I221-N224 PolarHBondContact O-N 3.24Å; I221-M225 WeakPolarHBondContact O-CB 3.25Å; I221-M225 PolarHBondContact O-N 2.85Å
222E88.3Confident84.8Confident122 Ų12297.6 Ų97.657%0.5748%0.479SS*.Hα-helixtrans-66.4-42.2-179.4-170172.1-161.300111.8Q218 Q219 M225 N226Q218-E222 WeakPolarHBondContact O-CB 3.24Å; Q218-E222 PolarHBondContact O-N 3.32Å; Q219-E222 PolarHBondContact O-N 3.13Å; E222-M225 WeakPolarHBondContact O-CB 3.38Å; E222-M225 PolarHBondContact O-N 3.12Å; E222-N226 PolarHBondContact O-N 3.5Å; E222-N226 PolarHBondContact O-ND2 3.25Å
223E88.4Confident84.3Confident120 Ų12098.9 Ų98.956%0.56149%0.491SS*.Hα-helixtrans-63.6-45.2175.3-171.1172.7-16500111.2Q219 M225 N226 I227Q219-E223 VanDerWaalsContact O-CB 3.32Å; Q219-E223 WeakPolarHBondContact O-CB 3.36Å; Q219-E223 PolarHBondContact O-N 3.41Å; E223-M225 VanDerWaalsContact C-N 3.3Å; E223-M225 PolarHBondContact O-N 3.19Å; E223-N226 PolarHBondContact O-N 3.26Å; E223-I227 HydrophobicContact CG-CD1 4.11Å; E223-I227 VanDerWaalsContact O-CG1 3.27Å; E223-I227 WeakPolarHBondContact O-CG1 3.5Å; E223-I227 PolarHBondContact O-N 2.98Å
224N89.3Confident83.4Confident109 Ų109100.3 Ų100.358%0.58350%0.498SS*.Hα-helixtrans-61.6-38.7174.2179.373.1000112.2N220 I221 A228N220-N224 VanDerWaalsContact O-CB 3.23Å; N220-N224 WeakPolarHBondContact O-CB 3.4Å; N220-N224 PolarHBondContact O-N 3.35Å; I221-N224 PolarHBondContact O-N 3.24Å; N224-A228 WeakPolarHBondContact O-CB 3.44Å; N224-A228 PolarHBondContact O-N 3.11Å
225M84.6Confident82.2Confident97 Ų97101.1 Ų101.148%0.47851%0.511SS..Hα-helixtrans-63.9-45.4175.4-178.4171.6176.700111.4I221 E222 E223 A228 M229 F236I221-M225 WeakPolarHBondContact O-CB 3.25Å; I221-M225 PolarHBondContact O-N 2.85Å; E222-M225 WeakPolarHBondContact O-CB 3.38Å; E222-M225 PolarHBondContact O-N 3.12Å; E223-M225 VanDerWaalsContact C-N 3.3Å; E223-M225 PolarHBondContact O-N 3.19Å; M225-A228 PolarHBondContact O-N 2.75Å; M225-M229 HydrophobicContact CE-SD 4.15Å; M225-M229 HydrophobicContact CG-SD 4.4Å; M225-M229 WeakPolarHBondContact O-CG 3.48Å; M225-M229 PolarHBondContact O-N 3.16Å; M225-F236 HydrophobicContact CE-CE1 4.33Å; M225-F236 HydrophobicContact CG-CE1 4.44Å; M225-F236 HydrophobicContact CG-CZ 4.44Å
226N84.6Confident81.1Confident85 Ų85101.1 Ų101.146%0.45551%0.51SS..Hα-helixtrans-61.5-46.1176.9-73.3-23.5000111.6E222 E223 A228 M229 E230E222-N226 PolarHBondContact O-N 3.5Å; E222-N226 PolarHBondContact O-ND2 3.25Å; E223-N226 PolarHBondContact O-N 3.26Å; N226-A228 VanDerWaalsContact C-N 3.29Å; N226-A228 PolarHBondContact O-N 3.02Å; N226-M229 PolarHBondContact O-N 3.49Å; N226-M229 VanDerWaalsContact O-N 3.13Å; N226-E230 PolarHBondContact O-N 3.27Å
227I85.3Confident79.7Confident86 Ų8699.1 Ų99.144%0.44151%0.511SS..Hα-helixtrans-57.8-45174.9-68164.4000110.3E223 M229 E230 E231E223-I227 HydrophobicContact CG-CD1 4.11Å; E223-I227 VanDerWaalsContact O-CG1 3.27Å; E223-I227 WeakPolarHBondContact O-CG1 3.5Å; E223-I227 PolarHBondContact O-N 2.98Å; I227-M229 VanDerWaalsContact C-N 3.33Å; I227-M229 PolarHBondContact O-N 3.14Å; I227-E230 PolarHBondContact O-N 3.28Å; I227-E231 HydrophobicContact CG2-CG 4.22Å; I227-E231 WeakPolarHBondContact O-CB 3.26Å; I227-E231 PolarHBondContact O-N 3.47Å
228A81.3Confident78.4Confident27 Ų2798.1 Ų98.122%0.22351%0.511CS..Hα-helixtrans-63.5-38.8178.200000111.9N224 M225 N226 E230 A232 F236N224-A228 WeakPolarHBondContact O-CB 3.44Å; N224-A228 PolarHBondContact O-N 3.11Å; M225-A228 PolarHBondContact O-N 2.75Å; N226-A228 VanDerWaalsContact C-N 3.29Å; N226-A228 PolarHBondContact O-N 3.02Å; A228-E230 VanDerWaalsContact C-N 3.33Å; A228-A232 CarbonylContact O-C 3.07Å; A228-A232 VanDerWaalsContact O-CA 3.3Å; A228-A232 WeakPolarHBondContact O-CA 3.31Å; A228-A232 PolarHBondContact O-N 2.88Å; A228-F236 HydrophobicContact CB-CE2 3.69Å; A228-F236 HydrophobicContact CB-CZ 3.76Å; A228-F236 WeakPolarHBondContact O-CE2 3.43Å
229M79Confident77.7Confident99 Ų9999.6 Ų99.649%0.48853%0.526SS..Hα-helixtrans-66.5-34.5177.8-72.2-178.483.800112.3M225 N226 I227 F236M225-M229 HydrophobicContact CE-SD 4.15Å; M225-M229 HydrophobicContact CG-SD 4.4Å; M225-M229 WeakPolarHBondContact O-CG 3.48Å; M225-M229 PolarHBondContact O-N 3.16Å; N226-M229 PolarHBondContact O-N 3.49Å; N226-M229 VanDerWaalsContact O-N 3.13Å; I227-M229 VanDerWaalsContact C-N 3.33Å; I227-M229 PolarHBondContact O-N 3.14Å; M229-F236 HydrophobicContact CB-CE2 4.24Å; M229-F236 HydrophobicContact CB-CZ 4.48Å; M229-F236 HydrophobicContact CG-CD1 4.31Å; M229-F236 HydrophobicContact CG-CD2 4.06Å; M229-F236 HydrophobicContact CG-CE1 3.86Å; M229-F236 HydrophobicContact CG-CE2 3.63Å; M229-F236 HydrophobicContact CG-CG 4.4Å; M229-F236 HydrophobicContact CG-CZ 3.49Å; M229-F236 VanDerWaalsContact CG-CZ 3.49Å
230E77.1Confident77.5Confident157 Ų15796.7 Ų96.773%0.73452%0.521SS*.Hα-helixtrans-78.5-47.9177.9-69.7-175.7169.500112.6N226 I227 A228N226-E230 PolarHBondContact O-N 3.27Å; I227-E230 PolarHBondContact O-N 3.28Å; A228-E230 VanDerWaalsContact C-N 3.33Å
231E80.4Confident77.5Confident157 Ų15797 Ų9773%0.73452%0.521SS*.Hα-helixtrans-89.1-28.7-171.4-67.5-68.7142.100113.4I227I227-E231 HydrophobicContact CG2-CG 4.22Å; I227-E231 WeakPolarHBondContact O-CB 3.26Å; I227-E231 PolarHBondContact O-N 3.47Å
232A70.9Confident77.7Confident35 Ų3594.9 Ų94.929%0.28951%0.51SS..  trans-138.660.5-175.600000112.2A228 E234 S235A228-A232 CarbonylContact O-C 3.07Å; A228-A232 VanDerWaalsContact O-CA 3.3Å; A228-A232 WeakPolarHBondContact O-CA 3.31Å; A228-A232 PolarHBondContact O-N 2.88Å; A232-E234 PolarHBondContact O-N 2.8Å; A232-E234 VanDerWaalsContact O-N 3.08Å; A232-S235 WeakPolarHBondContact CB-OG 3.47Å; A232-S235 VanDerWaalsContact O-CB 3.27Å; A232-S235 WeakPolarHBondContact O-CB 3.11Å; A232-S235 PolarHBondContact O-N 3.45Å; A232-S235 PolarHBondContact O-OG 2.92Å; A232-S235 VanDerWaalsContact O-OG 3.13Å
233P66.6Low78.1Confident76 Ų7689.4 Ų89.449%0.49448%0.484SS..G310 helixtrans-58.1-26.9179.724.9-35000112.6S235 F236 G237P233-S235 PolarHBondContact O-N 3.41Å; P233-F236 PolarHBondContact O-N 2.96Å; P233-G237 PolarHBondContact O-N 3.38Å
234E65.9Low78.5Confident162 Ų16283.7 Ų83.776%0.75746%0.457SS*.G310 helixtrans-56.2-29.4173-49.3-83.6174.500112.6A232 F236 G237A232-E234 PolarHBondContact O-N 2.8Å; A232-E234 VanDerWaalsContact O-N 3.08Å; E234-F236 PolarHBondContact O-N 3.09Å; E234-G237 PolarHBondContact O-N 2.88Å
235S61.2Low78.9Confident92 Ų9282 Ų8264%0.64345%0.449SS*.G310 helixtrans-68.8-20177.9-50.90000112.8A232 P233A232-S235 WeakPolarHBondContact CB-OG 3.47Å; A232-S235 VanDerWaalsContact O-CB 3.27Å; A232-S235 WeakPolarHBondContact O-CB 3.11Å; A232-S235 PolarHBondContact O-N 3.45Å; A232-S235 PolarHBondContact O-OG 2.92Å; A232-S235 VanDerWaalsContact O-OG 3.13Å; P233-S235 PolarHBondContact O-N 3.41Å
236F60.3Low79.5Confident102 Ų10277.6 Ų77.645%0.44743%0.427SS..THydrogen-bonded Turntrans-100-12.1177.9-60.7-90.6000112.1M225 A228 M229 P233 E234M225-F236 HydrophobicContact CE-CE1 4.33Å; M225-F236 HydrophobicContact CG-CE1 4.44Å; M225-F236 HydrophobicContact CG-CZ 4.44Å; A228-F236 HydrophobicContact CB-CE2 3.69Å; A228-F236 HydrophobicContact CB-CZ 3.76Å; A228-F236 WeakPolarHBondContact O-CE2 3.43Å; M229-F236 HydrophobicContact CB-CE2 4.24Å; M229-F236 HydrophobicContact CB-CZ 4.48Å; M229-F236 HydrophobicContact CG-CD1 4.31Å; M229-F236 HydrophobicContact CG-CD2 4.06Å; M229-F236 HydrophobicContact CG-CE1 3.86Å; M229-F236 HydrophobicContact CG-CE2 3.63Å; M229-F236 HydrophobicContact CG-CG 4.4Å; M229-F236 HydrophobicContact CG-CZ 3.49Å; M229-F236 VanDerWaalsContact CG-CZ 3.49Å; P233-F236 PolarHBondContact O-N 2.96Å; E234-F236 PolarHBondContact O-N 3.09Å
237G59.2Low80.1Confident43 Ų4378.1 Ų78.144%0.44343%0.425SS..SBendtrans-86138.2174.400000111.5P233 E234 V239P233-G237 PolarHBondContact O-N 3.38Å; E234-G237 PolarHBondContact O-N 2.88Å; G237-V239 PolarHBondContact O-N 2.89Å
238Q64.3Low80.6Confident109 Ų10974 Ų7451%0.50941%0.405SS..PPolyproline II helixtrans-75.7118.6169.9-72.1165.2-15.400109.3A240 S372Q238-A240 PolarHBondContact O-N 2.87Å; Q238-S372 VanDerWaalsContact CD-CA 3.41Å; Q238-S372 VanDerWaalsContact NE2-C 3.35Å; Q238-S372 PolarHBondContact NE2-O 3.39Å; Q238-S372 VanDerWaalsContact OE1-C 3.3Å; Q238-S372 PolarHBondContact OE1-O 3.23Å
239V76.1Confident81.3Confident125 Ų12576.9 Ų76.976%0.75842%0.416SS*.PPolyproline II helixtrans-74.2122.7179.8-177.10000109.7G237 M241G237-V239 PolarHBondContact O-N 2.89Å; V239-M241 PolarHBondContact O-N 3.48Å
240A82.4Confident82Confident48 Ų4874.7 Ų74.740%0.39742%0.419SS..PPolyproline II helixtrans-61.4132.2175.900000111.1Q238 L364Q238-A240 PolarHBondContact O-N 2.87Å; A240-L364 HydrophobicContact CB-CD1 4.2Å
241M91.4Very high82.9Confident100 Ų10070.5 Ų70.549%0.49340%0.399SS..PPolyproline II helixtrans-70.2148.2177.7-72.5-62.5-121.700111.8V239 Y243 F256V239-M241 PolarHBondContact O-N 3.48Å; M241-Y243 HydrophobicContact CB-CD2 4.15Å; M241-Y243 HydrophobicContact CB-CE2 3.83Å; M241-Y243 PolarHBondContact O-N 3.31Å; M241-F256 HydrophobicContact CB-CD2 4.43Å; M241-F256 HydrophobicContact CB-CE2 3.94Å; M241-F256 HydrophobicContact CE-CE2 3.84Å; M241-F256 HydrophobicContact CE-CZ 3.57Å; M241-F256 HydrophobicContact CG-CE2 4.27Å; M241-F256 HydrophobicContact SD-CE2 4.04Å; M241-F256 HydrophobicContact SD-CZ 4.31Å
242L95Very high83.6Confident41 Ų4167.3 Ų67.322%0.21539%0.392CS..  trans-78.7110.9-176.5-56.6179.8000111.1F256 V257 I340 L342 F358L242-F256 WeakPolarHBondContact O-CD2 3.4Å; L242-V257 HydrophobicContact CB-CB 4.13Å; L242-V257 PolarHBondContact O-N 2.89Å; L242-I340 HydrophobicContact CD1-CG2 3.83Å; L242-L342 HydrophobicContact CD1-CD2 3.94Å; L242-L342 HydrophobicContact CD2-CD2 3.89Å; L242-F358 HydrophobicContact CB-CD1 3.95Å; L242-F358 HydrophobicContact CB-CE1 3.94Å; L242-F358 HydrophobicContact CD1-CE1 4.45Å; L242-F358 HydrophobicContact CD1-CZ 4.28Å; L242-F358 HydrophobicContact CD2-CD1 4.25Å; L242-F358 HydrophobicContact CD2-CD2 4.03Å; L242-F358 HydrophobicContact CD2-CE1 4.47Å; L242-F358 HydrophobicContact CD2-CE2 4.26Å; L242-F358 HydrophobicContact CD2-CG 4.05Å; L242-F358 HydrophobicContact CD2-CZ 4.49Å
243Y96.4Very high84.8Confident7 Ų766 Ų663%0.02738%0.38CS..EExtended strand (participates in β ladder)trans-123.2149.2173.3-79.2-101.3000111.1M241 K254 A255 F256 F358 L359 L364 P365 A368M241-Y243 HydrophobicContact CB-CD2 4.15Å; M241-Y243 HydrophobicContact CB-CE2 3.83Å; M241-Y243 PolarHBondContact O-N 3.31Å; Y243-K254 HydrophobicContact CD1-CB 4.02Å; Y243-A255 CarbonylContact C-O 3.51Å; Y243-A255 VanDerWaalsContact CA-O 3.23Å; Y243-A255 WeakPolarHBondContact CA-O 3.41Å; Y243-F256 HydrophobicContact CD1-CB 4.2Å; Y243-F256 HydrophobicContact CD2-CD2 4.08Å; Y243-F256 HydrophobicContact CE1-CB 3.64Å; Y243-F256 HydrophobicContact CE1-CD2 4.44Å; Y243-F256 HydrophobicContact CE1-CG 4.43Å; Y243-F256 HydrophobicContact CE2-CB 4.32Å; Y243-F256 AromaticContact CE2-CD2 3.56Å; Y243-F256 HydrophobicContact CE2-CD2 3.56Å; Y243-F256 HydrophobicContact CE2-CE2 4.35Å; Y243-F256 HydrophobicContact CE2-CG 4.28Å; Y243-F256 AromaticContact CZ-CD2 3.76Å; Y243-F358 CarbonylContact O-C 3.53Å; Y243-F358 VanDerWaalsContact O-CA 3.24Å; Y243-F358 WeakPolarHBondContact O-CA 3.27Å; Y243-L359 WeakPolarHBondContact O-CG 3.33Å; Y243-L359 PolarHBondContact O-N 3.37Å; Y243-L364 HydrophobicContact CD2-CD2 3.52Å; Y243-L364 HydrophobicContact CE2-CD2 4.34Å; Y243-L364 HydrophobicContact CG-CD2 3.89Å; Y243-P365 HydrophobicContact CD1-CG 4.11Å; Y243-P365 HydrophobicContact CE1-CG 3.74Å; Y243-A368 HydrophobicContact CE2-CB 3.72Å
244I97.1Very high86.2Confident0 Ų065.5 Ų65.50%037%0.37CS..EExtended strand (participates in β ladder)trans-129.1154.6171.661.9162.2000111.1K254 A255 V257 I307 L328 L347 T356 F358I244-K254 WeakPolarHBondContact O-CA 3.42Å; I244-A255 HydrophobicContact CG1-CB 3.95Å; I244-A255 PolarHBondContact N-O 3.28Å; I244-A255 PolarHBondContact O-N 3.4Å; I244-V257 HydrophobicContact CG1-CG2 4.13Å; I244-V257 HydrophobicContact CG2-CG2 4.22Å; I244-I307 HydrophobicContact CD1-CD1 3.77Å; I244-I307 HydrophobicContact CD1-CG1 4.38Å; I244-L328 HydrophobicContact CD1-CD1 3.94Å; I244-L328 HydrophobicContact CG1-CD1 4.46Å; I244-L347 HydrophobicContact CD1-CD2 3.69Å; I244-L347 HydrophobicContact CG2-CB 4.17Å; I244-T356 HydrophobicContact CB-CG2 3.92Å; I244-T356 HydrophobicContact CD1-CG2 3.94Å; I244-T356 HydrophobicContact CG2-CG2 3.77Å; I244-F358 HydrophobicContact CG2-CD1 3.58Å; I244-F358 HydrophobicContact CG2-CE1 3.79Å
245N97.4Very high87.6Confident74 Ų7457.8 Ų57.840%0.39633%0.334SS..EExtended strand (participates in β ladder)trans-78.2134.6168.7-76.7-44.3000110.1L359N245-L359 WeakPolarHBondContact ND2-CD2 3.28Å
246C96.8Very high89.3Confident5 Ų554.1 Ų54.13%0.03431%0.307CS..EExtended strand (participates in β ladder)trans-148.8174.3169.664.70000110.5L253 I305 Q306 I307C246-L253 PolarHBondContact N-O 2.89Å; C246-L253 PolarHBondContact O-N 3.33Å; C246-L253 WeakPolarHBondContact SG-CD1 3.37Å; C246-I305 HydrophobicContact CB-CG2 3.92Å; C246-Q306 CarbonylContact C-O 3.52Å; C246-Q306 WeakPolarHBondContact CA-O 3.46Å; C246-Q306 WeakPolarHBondContact CB-O 3.35Å; C246-I307 HydrophobicContact CB-CG1 3.99Å
247K97.8Very high91Very high95 Ų9549.6 Ų49.641%0.41329%0.287SS..EExtended strand (participates in β ladder)trans-131.3142.7175.3-51176.5-179.21710110.7H251 Q306K247-H251 WeakPolarHBondContact CA-O 3.43Å; K247-Q306 HydrophobicContact CB-CB 4.11Å; K247-Q306 PolarHBondContact N-O 3.4Å; K247-Q306 PolarHBondContact O-N 2.91Å
248V96.9Very high92.8Very high1 Ų149.9 Ų49.91%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-124.6123.9168.9173.60000107.7G250 H251 L253 M266 C274 I276 I305V248-G250 PolarHBondContact O-N 3.49Å; V248-H251 PolarHBondContact N-O 3.41Å; V248-H251 PolarHBondContact O-N 3.43Å; V248-L253 HydrophobicContact CB-CD2 3.81Å; V248-L253 HydrophobicContact CG2-CD2 3.8Å; V248-M266 HydrophobicContact CG1-CE 4.42Å; V248-M266 HydrophobicContact CG2-CE 4.07Å; V248-C274 HydrophobicContact CB-CB 4.39Å; V248-C274 HydrophobicContact CG1-CB 4.09Å; V248-I276 HydrophobicContact CG1-CD1 3.95Å; V248-I276 HydrophobicContact CG1-CG2 4.22Å; V248-I305 HydrophobicContact CG2-CB 4.39Å; V248-I305 HydrophobicContact CG2-CG1 3.92Å; V248-I305 HydrophobicContact CG2-CG2 4.34Å
249N94.8Very high94.2Very high86 Ų8648 Ų4846%0.4628%0.278SS..THydrogen-bonded Turntrans52.437.3-175.5-165.237.9000112.9H251 C274 I276N249-H251 VanDerWaalsContact C-N 3.27Å; N249-H251 PolarHBondContact O-CD2 3.17Å; N249-H251 VanDerWaalsContact O-CD2 3.29Å; N249-H251 PolarHBondContact O-N 3Å; N249-C274 VanDerWaalsContact CB-O 3.3Å; N249-C274 WeakPolarHBondContact CB-O 3.28Å; N249-C274 PolarHBondContact ND2-O 2.94Å; N249-I276 HydrophobicContact CB-CG2 4.07Å
250G92.9Very high95Very high53 Ų5345.4 Ų45.455%0.54628%0.276SS..THydrogen-bonded Turntrans81.8-11.3-178.700000115.7V248V248-G250 PolarHBondContact O-N 3.49Å
251H96.8Very high95.4Very high70 Ų7044 Ų4432%0.32427%0.265SS..EExtended strand (participates in β ladder)trans-84125.4178.6-65.1-90.8000111K247 V248 N249 R273K247-H251 WeakPolarHBondContact CA-O 3.43Å; V248-H251 PolarHBondContact N-O 3.41Å; V248-H251 PolarHBondContact O-N 3.43Å; N249-H251 VanDerWaalsContact C-N 3.27Å; N249-H251 PolarHBondContact O-CD2 3.17Å; N249-H251 VanDerWaalsContact O-CD2 3.29Å; N249-H251 PolarHBondContact O-N 3Å; H251-R273 PolarHBondContact CE1-O 3.01Å; H251-R273 VanDerWaalsContact CE1-O 3.31Å; H251-R273 PolarHBondContact ND1-O 2.91Å; H251-R273 PolarHBondContact NE2-O 3.36Å
252P96.4Very high95.4Very high90 Ų9047.1 Ų47.158%0.58428%0.278SS*.EExtended strand (participates in β ladder)trans-71.3141.4176.930.5-34.3000111.4R273P252-R273 PolarHBondContact O-NH1 3.49Å; P252-R273 VanDerWaalsContact O-NH1 3.1Å
253L95Very high95.3Very high6 Ų648.7 Ų48.73%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-153.3160.5176.761.5104.2000110.7C246 V248 D325 I326C246-L253 PolarHBondContact N-O 2.89Å; C246-L253 PolarHBondContact O-N 3.33Å; C246-L253 WeakPolarHBondContact SG-CD1 3.37Å; V248-L253 HydrophobicContact CB-CD2 3.81Å; V248-L253 HydrophobicContact CG2-CD2 3.8Å; L253-D325 HydrophobicContact CB-CB 4.36Å; L253-I326 HydrophobicContact CD1-CB 4.01Å; L253-I326 HydrophobicContact CD1-CG2 3.22Å
254K95.3Very high95.2Very high66 Ų6648.3 Ų48.329%0.28728%0.284SS..EExtended strand (participates in β ladder)trans-105.5117.6-179.8-63.9177.5177.2171.20108.3Y243 I244 L359 E363 P365Y243-K254 HydrophobicContact CD1-CB 4.02Å; I244-K254 WeakPolarHBondContact O-CA 3.42Å; K254-L359 HydrophobicContact CB-CD1 4.27Å; K254-L359 HydrophobicContact CD-CD1 3.64Å; K254-L359 HydrophobicContact CG-CD1 3.8Å; K254-E363 WeakPolarHBondContact CE-O 3.31Å; K254-E363 PolarHBondContact NZ-O 3.25Å; K254-P365 HydrophobicContact CB-CG 4.23Å; K254-P365 HydrophobicContact CD-CG 4.06Å
255A96.1Very high95.2Very high0 Ų049.8 Ų49.80%029%0.291CS..EExtended strand (participates in β ladder)trans-93.5125.2179.900000110.4Y243 I244 I326 L328Y243-A255 CarbonylContact C-O 3.51Å; Y243-A255 VanDerWaalsContact CA-O 3.23Å; Y243-A255 WeakPolarHBondContact CA-O 3.41Å; I244-A255 HydrophobicContact CG1-CB 3.95Å; I244-A255 PolarHBondContact N-O 3.28Å; I244-A255 PolarHBondContact O-N 3.4Å; A255-I326 VanDerWaalsContact CA-CG2 3.41Å; A255-I326 HydrophobicContact CB-CG2 3.33Å; A255-L328 HydrophobicContact CB-CD1 3.72Å; A255-L328 HydrophobicContact CB-CG 4.07Å
256F96.6Very high95.1Very high16 Ų1646.3 Ų46.37%0.0727%0.272CS..EExtended strand (participates in β ladder)trans-75.3129168.8179.1-128.6000109.1M241 L242 Y243 D258 M324 I326 L327 L328M241-F256 HydrophobicContact CB-CD2 4.43Å; M241-F256 HydrophobicContact CB-CE2 3.94Å; M241-F256 HydrophobicContact CE-CE2 3.84Å; M241-F256 HydrophobicContact CE-CZ 3.57Å; M241-F256 HydrophobicContact CG-CE2 4.27Å; M241-F256 HydrophobicContact SD-CE2 4.04Å; M241-F256 HydrophobicContact SD-CZ 4.31Å; L242-F256 WeakPolarHBondContact O-CD2 3.4Å; Y243-F256 HydrophobicContact CD1-CB 4.2Å; Y243-F256 HydrophobicContact CD2-CD2 4.08Å; Y243-F256 HydrophobicContact CE1-CB 3.64Å; Y243-F256 HydrophobicContact CE1-CD2 4.44Å; Y243-F256 HydrophobicContact CE1-CG 4.43Å; Y243-F256 HydrophobicContact CE2-CB 4.32Å; Y243-F256 AromaticContact CE2-CD2 3.56Å; Y243-F256 HydrophobicContact CE2-CD2 3.56Å; Y243-F256 HydrophobicContact CE2-CE2 4.35Å; Y243-F256 HydrophobicContact CE2-CG 4.28Å; Y243-F256 AromaticContact CZ-CD2 3.76Å; F256-D258 HydrophobicContact CD1-CB 4.03Å; F256-D258 HydrophobicContact CE1-CB 3.6Å; F256-D258 HydrophobicContact CZ-CB 4.08Å; F256-M324 HydrophobicContact CB-SD 3.59Å; F256-M324 VanDerWaalsContact CB-SD 3.59Å; F256-M324 HydrophobicContact CD1-CE 4.2Å; F256-M324 HydrophobicContact CD1-SD 3.42Å; F256-M324 WeakPolarHBondContact CD1-SD 3.4Å; F256-M324 HydrophobicContact CE1-SD 4.4Å; F256-M324 HydrophobicContact CG-SD 3.81Å; F256-I326 PolarHBondContact N-O 3.49Å; F256-L327 HydrophobicContact CD1-CD1 3.78Å; F256-L327 HydrophobicContact CD1-CG 3.82Å; F256-L327 HydrophobicContact CE1-CD1 4.14Å; F256-L327 HydrophobicContact CE1-CG 4.5Å; F256-L327 CarbonylContact O-C 3.49Å; F256-L327 WeakPolarHBondContact O-CA 3.34Å; F256-L328 PolarHBondContact O-N 3.12Å
257V96.9Very high95.1Very high6 Ų646.3 Ų46.34%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-101.4112.8-178.6-179.70000109.1L242 I244 L333 I340 L347 F358L242-V257 HydrophobicContact CB-CB 4.13Å; L242-V257 PolarHBondContact O-N 2.89Å; I244-V257 HydrophobicContact CG1-CG2 4.13Å; I244-V257 HydrophobicContact CG2-CG2 4.22Å; V257-L333 HydrophobicContact CG1-CD1 4.26Å; V257-L333 HydrophobicContact CG1-CD2 4.17Å; V257-I340 HydrophobicContact CG1-CD1 3.87Å; V257-I340 HydrophobicContact CG1-CG1 4.25Å; V257-L347 HydrophobicContact CG1-CD1 4.42Å; V257-L347 HydrophobicContact CG2-CD2 4.44Å; V257-F358 HydrophobicContact CB-CE1 4.4Å; V257-F358 HydrophobicContact CG2-CE1 4.17Å
258D95.4Very high95Very high49 Ų4943.8 Ų43.826%0.26226%0.262SS..  trans-134.3104.4-173.9-172.9-6.8000111.1F256 G260 A261 L327 L328 G329F256-D258 HydrophobicContact CD1-CB 4.03Å; F256-D258 HydrophobicContact CE1-CB 3.6Å; F256-D258 HydrophobicContact CZ-CB 4.08Å; D258-G260 VanDerWaalsContact C-N 3.26Å; D258-G260 PolarHBondContact O-N 3.03Å; D258-G260 WeakPolarHBondContact OD1-CA 3.27Å; D258-G260 PolarHBondContact OD1-N 3.34Å; D258-A261 HydrophobicContact CB-CB 4.12Å; D258-A261 PolarHBondContact O-N 3.08Å; D258-A261 PolarHBondContact OD1-N 3.01Å; D258-L327 HydrophobicContact CB-CD1 4.37Å; D258-L327 HydrophobicContact CB-CD2 4.08Å; D258-L327 HydrophobicContact CB-CG 4.17Å; D258-L328 PolarHBondContact N-O 3.44Å; D258-G329 WeakPolarHBondContact O-CA 3.38Å
259S95.1Very high94.9Very high71 Ų7146.9 Ų46.950%0.49729%0.288SS..SBendtrans-74.5-15.6175.559.40000113.3
260G93.3Very high95Very high69 Ų6942.8 Ų42.871%0.71127%0.266SS*.SBendtrans-80.2-20.8175.400000113.2D258D258-G260 VanDerWaalsContact C-N 3.26Å; D258-G260 PolarHBondContact O-N 3.03Å; D258-G260 WeakPolarHBondContact OD1-CA 3.27Å; D258-G260 PolarHBondContact OD1-N 3.34Å
261A91.1Very high95.2Very high20 Ų2040.2 Ų40.217%0.16524%0.24CC..  trans-81.2126.5174.700000111.6D258 M263 L327 G329 L330D258-A261 HydrophobicContact CB-CB 4.12Å; D258-A261 PolarHBondContact O-N 3.08Å; D258-A261 PolarHBondContact OD1-N 3.01Å; A261-M263 VanDerWaalsContact C-N 3.34Å; A261-M263 PolarHBondContact O-N 2.86Å; A261-L327 HydrophobicContact CB-CD1 4.38Å; A261-L327 HydrophobicContact CB-CD2 3.46Å; A261-L327 VanDerWaalsContact CB-CD2 3.46Å; A261-G329 WeakPolarHBondContact O-CA 3.35Å; A261-L330 WeakPolarHBondContact O-CB 3.5Å; A261-L330 PolarHBondContact O-N 2.93Å
262Q90.9Very high95.2Very high164 Ų16441.8 Ų41.877%0.76625%0.247SC*.SBendtrans-67.6-34.6177.7-175.3177.61.600112.8D331Q262-D331 WeakPolarHBondContact O-CB 3.42Å; Q262-D331 PolarHBondContact O-N 3.38Å
263M92.1Very high95.2Very high74 Ų7442.3 Ų42.337%0.36524%0.237SC..SBendtrans-122.6139.9-170.7-63.5-17969.400111.6A261 S317 D331A261-M263 VanDerWaalsContact C-N 3.34Å; A261-M263 PolarHBondContact O-N 2.86Å; M263-S317 VanDerWaalsContact CE-OG 3.31Å; M263-S317 WeakPolarHBondContact CE-OG 3.45Å; M263-D331 WeakPolarHBondContact CA-OD2 3.33Å
264T95.6Very high95.3Very high0 Ų042 Ų420%024%0.236CC..  trans-75.1133.1168-64.60000109.8F316 S317 I326 L327 L328 G329 D331 M332T264-F316 HydrophobicContact CG2-CB 3.65Å; T264-F316 HydrophobicContact CG2-CG 4.43Å; T264-F316 VanDerWaalsContact O-CA 3.3Å; T264-F316 WeakPolarHBondContact O-CA 3.11Å; T264-F316 VanDerWaalsContact O-CB 3.25Å; T264-F316 WeakPolarHBondContact O-CB 3.2Å; T264-S317 PolarHBondContact O-N 3.47Å; T264-S317 VanDerWaalsContact O-N 3.09Å; T264-I326 HydrophobicContact CG2-CD1 4.48Å; T264-I326 HydrophobicContact CG2-CG1 4.5Å; T264-L327 CarbonylContact C-O 3.57Å; T264-L327 VanDerWaalsContact CA-O 3.25Å; T264-L327 WeakPolarHBondContact CA-O 3.26Å; T264-L327 WeakPolarHBondContact CG2-O 3.49Å; T264-L328 HydrophobicContact CG2-CD2 4.11Å; T264-G329 PolarHBondContact OG1-N 2.92Å; T264-D331 WeakPolarHBondContact CB-OD1 3.47Å; T264-D331 VanDerWaalsContact N-CG 3.29Å; T264-D331 PolarHBondContact N-OD1 3.26Å; T264-D331 PolarHBondContact N-OD2 3.46Å; T264-D331 PolarHBondContact OG1-OD1 3.33Å; T264-M332 HydrophobicContact CG2-CG 4.01Å; T264-M332 WeakPolarHBondContact OG1-CB 3.27Å; T264-M332 WeakPolarHBondContact OG1-CG 3.38Å
265I95.3Very high95.4Very high31 Ų3143.9 Ų43.916%0.15925%0.249CC..EExtended strand (participates in β ladder)trans-131.4142.6-173.9-62.4166.6000109.9S317 L319 I326 L327I265-S317 CarbonylContact C-O 3.56Å; I265-S317 WeakPolarHBondContact CA-O 3.45Å; I265-L319 HydrophobicContact CB-CD1 4.29Å; I265-L319 HydrophobicContact CD1-CD1 4.06Å; I265-L319 HydrophobicContact CD1-CD2 4.29Å; I265-L319 HydrophobicContact CG1-CD1 3.99Å; I265-L319 HydrophobicContact CG2-CB 3.84Å; I265-L319 HydrophobicContact CG2-CD1 3.35Å; I265-L319 HydrophobicContact CG2-CD2 4.14Å; I265-L319 HydrophobicContact CG2-CG 3.92Å; I265-I326 CarbonylContact O-C 3.55Å; I265-I326 VanDerWaalsContact O-CA 3.32Å; I265-I326 WeakPolarHBondContact O-CA 3.39Å; I265-I326 VanDerWaalsContact O-CG1 3.22Å; I265-I326 WeakPolarHBondContact O-CG1 3.48Å; I265-L327 PolarHBondContact N-O 3.3Å; I265-L327 PolarHBondContact O-N 3.44Å
266M96.6Very high95.4Very high0 Ų044 Ų440%025%0.25CC..EExtended strand (participates in β ladder)trans-123.4143.3169179.9178.6-7200110.5V248 C270 A271 I276 F316 S317 I318 L319 D325 I326V248-M266 HydrophobicContact CG1-CE 4.42Å; V248-M266 HydrophobicContact CG2-CE 4.07Å; M266-C270 HydrophobicContact CG-CB 3.84Å; M266-C270 HydrophobicContact SD-CB 4.34Å; M266-A271 HydrophobicContact SD-CB 4.09Å; M266-I276 HydrophobicContact CE-CD1 4.33Å; M266-I276 HydrophobicContact SD-CD1 3.73Å; M266-F316 HydrophobicContact CB-CD2 3.72Å; M266-F316 HydrophobicContact CB-CE2 3.92Å; M266-F316 HydrophobicContact CE-CD2 4.48Å; M266-F316 HydrophobicContact CE-CE2 3.76Å; M266-F316 HydrophobicContact CE-CZ 3.8Å; M266-F316 HydrophobicContact CG-CE2 4.46Å; M266-F316 HydrophobicContact SD-CE2 3.74Å; M266-F316 HydrophobicContact SD-CZ 4.27Å; M266-S317 PolarHBondContact N-O 3.17Å; M266-I318 HydrophobicContact CB-CD1 3.83Å; M266-I318 HydrophobicContact CG-CD1 4.31Å; M266-I318 CarbonylContact O-C 3.58Å; M266-I318 VanDerWaalsContact O-CA 3.27Å; M266-I318 WeakPolarHBondContact O-CA 3.33Å; M266-I318 HydrophobicContact SD-CD1 4.44Å; M266-L319 PolarHBondContact O-N 3.29Å; M266-D325 WeakPolarHBondContact CA-O 3.46Å; M266-I326 HydrophobicContact CB-CG1 4.15Å; M266-I326 HydrophobicContact CE-CB 4.41Å; M266-I326 HydrophobicContact CE-CD1 3.65Å; M266-I326 HydrophobicContact CE-CG1 4.14Å
267S95.5Very high95.4Very high6 Ų646.2 Ų46.24%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-70.7149.9174.375.90000111.7A269 C270 A271 L319 D325S267-A269 VanDerWaalsContact C-N 3.3Å; S267-A269 PolarHBondContact O-N 2.88Å; S267-C270 PolarHBondContact O-N 3.13Å; S267-C270 VanDerWaalsContact O-N 3.17Å; S267-C270 WeakPolarHBondContact OG-CB 3.23Å; S267-C270 PolarHBondContact OG-N 2.97Å; S267-C270 VanDerWaalsContact OG-N 3.08Å; S267-A271 PolarHBondContact O-N 3.39Å; S267-L319 CarbonylContact C-O 3.58Å; S267-L319 WeakPolarHBondContact CA-O 3.37Å; S267-D325 PolarHBondContact N-O 3.49Å
268Q95.8Very high95.4Very high42 Ų4254.6 Ų54.620%0.19629%0.292CS..Hα-helixtrans-59.2-43.3176.1-177.8-179.2-29.200111.1C270 A271 E272 M277 V297 I318 L319Q268-C270 VanDerWaalsContact C-N 3.29Å; Q268-C270 PolarHBondContact O-N 3Å; Q268-A271 PolarHBondContact O-N 3.43Å; Q268-A271 VanDerWaalsContact O-N 3.11Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.35Å; Q268-E272 PolarHBondContact NE2-OE1 2.97Å; Q268-E272 WeakPolarHBondContact O-CG 3.49Å; Q268-E272 PolarHBondContact O-N 2.88Å; Q268-M277 HydrophobicContact CG-CE 4.3Å; Q268-V297 HydrophobicContact CB-CG2 4.36Å; Q268-I318 HydrophobicContact CB-CG2 4.05Å; Q268-L319 PolarHBondContact N-O 3.44Å
269A95.8Very high95.4Very high65 Ų6555.1 Ų55.154%0.53729%0.294SS..Hα-helixtrans-58.9-39.1176.600000112.3S267 R273S267-A269 VanDerWaalsContact C-N 3.3Å; S267-A269 PolarHBondContact O-N 2.88Å; A269-R273 VanDerWaalsContact O-CB 3.31Å; A269-R273 WeakPolarHBondContact O-CB 3.41Å; A269-R273 PolarHBondContact O-N 3.22Å
270C96.5Very high95.5Very high0 Ų052.6 Ų52.60%028%0.276CS..Hα-helixtrans-68.3-41.9174.7-1750000111.6M266 S267 Q268 E272 R273 C274 D325M266-C270 HydrophobicContact CG-CB 3.84Å; M266-C270 HydrophobicContact SD-CB 4.34Å; S267-C270 PolarHBondContact O-N 3.13Å; S267-C270 VanDerWaalsContact O-N 3.17Å; S267-C270 WeakPolarHBondContact OG-CB 3.23Å; S267-C270 PolarHBondContact OG-N 2.97Å; S267-C270 VanDerWaalsContact OG-N 3.08Å; Q268-C270 VanDerWaalsContact C-N 3.29Å; Q268-C270 PolarHBondContact O-N 3Å; C270-E272 VanDerWaalsContact C-N 3.33Å; C270-E272 PolarHBondContact O-N 3.26Å; C270-R273 PolarHBondContact O-N 2.9Å; C270-C274 VanDerWaalsContact O-CB 3.3Å; C270-C274 WeakPolarHBondContact O-CB 3.34Å; C270-C274 PolarHBondContact O-N 2.82Å; C270-C274 PolarHBondContact O-SG 3.44Å; C270-C274 VanDerWaalsContact O-SG 3.39Å; C270-D325 HydrophobicContact CB-CB 4.09Å
271A96.8Very high95.7Very high0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-63.4-37.9178.100000112.8M266 S267 Q268 N275 I276 M277 I318M266-A271 HydrophobicContact SD-CB 4.09Å; S267-A271 PolarHBondContact O-N 3.39Å; Q268-A271 PolarHBondContact O-N 3.43Å; Q268-A271 VanDerWaalsContact O-N 3.11Å; A271-N275 PolarHBondContact O-N 3.06Å; A271-I276 HydrophobicContact CB-CD1 4.46Å; A271-I276 HydrophobicContact CB-CG1 4.1Å; A271-I276 WeakPolarHBondContact O-CG1 3.3Å; A271-I276 PolarHBondContact O-N 3.3Å; A271-M277 HydrophobicContact CB-SD 3.72Å; A271-I318 HydrophobicContact CB-CD1 4.07Å; A271-I318 HydrophobicContact CB-CG2 4.41Å
272E96.8Very high95.9Very high103 Ų10356.2 Ų56.248%0.48127%0.272SS..Hα-helixtrans-64.6-50.2172.1-73.4172.1-170.100111.2Q268 C270 C274 N275 M277Q268-E272 WeakPolarHBondContact CG-OE1 3.35Å; Q268-E272 PolarHBondContact NE2-OE1 2.97Å; Q268-E272 WeakPolarHBondContact O-CG 3.49Å; Q268-E272 PolarHBondContact O-N 2.88Å; C270-E272 VanDerWaalsContact C-N 3.33Å; C270-E272 PolarHBondContact O-N 3.26Å; E272-C274 VanDerWaalsContact C-N 3.31Å; E272-C274 PolarHBondContact O-N 3.06Å; E272-N275 WeakPolarHBondContact O-CA 3.31Å; E272-N275 PolarHBondContact O-N 2.84Å; E272-M277 HydrophobicContact CB-CG 4.3Å; E272-M277 HydrophobicContact CG-CE 4.35Å; E272-M277 HydrophobicContact CG-CG 3.57Å; E272-M277 HydrophobicContact CG-SD 3.87Å
273R96.8Very high96.1Very high100 Ų10058.4 Ų58.438%0.37727%0.273SS..Hα-helixtrans-60.9-37.8178.4179.9168.357.989.7-4.3113H251 P252 A269 C270 N275 D325H251-R273 PolarHBondContact CE1-O 3.01Å; H251-R273 VanDerWaalsContact CE1-O 3.31Å; H251-R273 PolarHBondContact ND1-O 2.91Å; H251-R273 PolarHBondContact NE2-O 3.36Å; P252-R273 PolarHBondContact O-NH1 3.49Å; P252-R273 VanDerWaalsContact O-NH1 3.1Å; A269-R273 VanDerWaalsContact O-CB 3.31Å; A269-R273 WeakPolarHBondContact O-CB 3.41Å; A269-R273 PolarHBondContact O-N 3.22Å; C270-R273 PolarHBondContact O-N 2.9Å; R273-N275 PolarHBondContact O-N 3.33Å; R273-D325 IonicContact CZ-OD2 3.7Å; R273-D325 IonicContact NH2-OD1 3.61Å; R273-D325 PolarHBondContact NH2-OD1 2.97Å; R273-D325 IonicContact NH2-OD2 3.38Å; R273-D325 PolarHBondContact NH2-OD2 3.41Å
274C97.1Very high96.1Very high0 Ų062 Ų620%028%0.283CS..THydrogen-bonded Turntrans-78.6-2.8175.6-71.30000113.2V248 N249 C270 E272 I276V248-C274 HydrophobicContact CB-CB 4.39Å; V248-C274 HydrophobicContact CG1-CB 4.09Å; N249-C274 VanDerWaalsContact CB-O 3.3Å; N249-C274 WeakPolarHBondContact CB-O 3.28Å; N249-C274 PolarHBondContact ND2-O 2.94Å; C270-C274 VanDerWaalsContact O-CB 3.3Å; C270-C274 WeakPolarHBondContact O-CB 3.34Å; C270-C274 PolarHBondContact O-N 2.82Å; C270-C274 PolarHBondContact O-SG 3.44Å; C270-C274 VanDerWaalsContact O-SG 3.39Å; E272-C274 VanDerWaalsContact C-N 3.31Å; E272-C274 PolarHBondContact O-N 3.06Å; C274-I276 VanDerWaalsContact C-N 3.3Å; C274-I276 HydrophobicContact CB-CG1 4.08Å; C274-I276 HydrophobicContact CB-CG2 4.48Å; C274-I276 PolarHBondContact O-N 2.9Å
275N96.8Very high95.9Very high105 Ų10564.6 Ų64.656%0.56130%0.304SS*.THydrogen-bonded Turntrans54.542.1-177.7-166.524.3000113.6A271 E272 R273A271-N275 PolarHBondContact O-N 3.06Å; E272-N275 WeakPolarHBondContact O-CA 3.31Å; E272-N275 PolarHBondContact O-N 2.84Å; R273-N275 PolarHBondContact O-N 3.33Å
276I96.8Very high95.6Very high4 Ų464.7 Ų64.72%0.02131%0.313CS..  trans-1149.3178.260160.9000113.5V248 N249 M266 A271 C274 R278 L279 F316V248-I276 HydrophobicContact CG1-CD1 3.95Å; V248-I276 HydrophobicContact CG1-CG2 4.22Å; N249-I276 HydrophobicContact CB-CG2 4.07Å; M266-I276 HydrophobicContact CE-CD1 4.33Å; M266-I276 HydrophobicContact SD-CD1 3.73Å; A271-I276 HydrophobicContact CB-CD1 4.46Å; A271-I276 HydrophobicContact CB-CG1 4.1Å; A271-I276 WeakPolarHBondContact O-CG1 3.3Å; A271-I276 PolarHBondContact O-N 3.3Å; C274-I276 VanDerWaalsContact C-N 3.3Å; C274-I276 HydrophobicContact CB-CG1 4.08Å; C274-I276 HydrophobicContact CB-CG2 4.48Å; C274-I276 PolarHBondContact O-N 2.9Å; I276-R278 PolarHBondContact O-N 3.32Å; I276-R278 VanDerWaalsContact O-N 3.09Å; I276-L279 HydrophobicContact CB-CD1 4.17Å; I276-L279 HydrophobicContact CG2-CD1 4.22Å; I276-L279 WeakPolarHBondContact O-CB 3.49Å; I276-L279 PolarHBondContact O-N 3.27Å; I276-F316 HydrophobicContact CD1-CE2 4Å; I276-F316 HydrophobicContact CD1-CZ 3.9Å
277M96.5Very high95.1Very high62 Ų6269 Ų6931%0.30534%0.339SS..G310 helixtrans-54.5-30.7175.5-72.4-59.3-73.900113.3Q268 A271 E272 L279 V280Q268-M277 HydrophobicContact CG-CE 4.3Å; A271-M277 HydrophobicContact CB-SD 3.72Å; E272-M277 HydrophobicContact CB-CG 4.3Å; E272-M277 HydrophobicContact CG-CE 4.35Å; E272-M277 HydrophobicContact CG-CG 3.57Å; E272-M277 HydrophobicContact CG-SD 3.87Å; M277-L279 PolarHBondContact O-N 3.15Å; M277-L279 VanDerWaalsContact O-N 3.15Å; M277-V280 WeakPolarHBondContact O-CB 3.32Å; M277-V280 PolarHBondContact O-N 3.4Å; M277-V280 VanDerWaalsContact O-N 3.12Å; M277-V280 HydrophobicContact SD-CG2 4.16Å
278R96.4Very high94.1Very high182 Ų18270.1 Ų70.169%0.68735%0.349SS*.G310 helixtrans-61.9-16.3173.666.5-176.3173.586.60.3114.9I276I276-R278 PolarHBondContact O-N 3.32Å; I276-R278 VanDerWaalsContact O-N 3.09Å
279L96.1Very high92.7Very high59 Ų5977.3 Ų77.331%0.30938%0.379SS..G310 helixtrans-97.2-5.2179.3-56.4-179.5000112.5I276 M277 D281 V300 A303I276-L279 HydrophobicContact CB-CD1 4.17Å; I276-L279 HydrophobicContact CG2-CD1 4.22Å; I276-L279 WeakPolarHBondContact O-CB 3.49Å; I276-L279 PolarHBondContact O-N 3.27Å; M277-L279 PolarHBondContact O-N 3.15Å; M277-L279 VanDerWaalsContact O-N 3.15Å; L279-D281 PolarHBondContact O-N 2.87Å; L279-V300 HydrophobicContact CB-CG1 4.15Å; L279-V300 HydrophobicContact CB-CG2 4.39Å; L279-A303 HydrophobicContact CD1-CB 4.41Å
280V97Very high91.3Very high19 Ų1977.4 Ų77.412%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-82.7111.9-174.7-176.50000109.7M277 Q282 V300 I318M277-V280 WeakPolarHBondContact O-CB 3.32Å; M277-V280 PolarHBondContact O-N 3.4Å; M277-V280 VanDerWaalsContact O-N 3.12Å; M277-V280 HydrophobicContact SD-CG2 4.16Å; V280-Q282 PolarHBondContact O-N 3.48Å; V280-V300 HydrophobicContact CG2-CG2 3.89Å; V280-I318 HydrophobicContact CG1-CB 4.4Å; V280-I318 HydrophobicContact CG1-CG1 3.96Å; V280-I318 HydrophobicContact CG2-CG1 3.77Å
281D97.1Very high89.4Confident24 Ų2485.2 Ų85.213%0.12843%0.434CS..EExtended strand (participates in β ladder)trans-83.4105.1174.5-172.8-7.1000110.2L279 R283 W284 G298 R299 H301L279-D281 PolarHBondContact O-N 2.87Å; D281-R283 PolarHBondContact O-N 2.9Å; D281-R283 VanDerWaalsContact OD1-CB 3.27Å; D281-R283 WeakPolarHBondContact OD1-CB 3.46Å; D281-R283 WeakPolarHBondContact OD1-CG 3.37Å; D281-R283 IonicContact OD1-CZ 3.83Å; D281-R283 PolarHBondContact OD1-N 3.48Å; D281-R283 IonicContact OD1-NE 2.95Å; D281-R283 PolarHBondContact OD1-NE 3.41Å; D281-R283 IonicContact OD1-NH2 3.81Å; D281-R283 IonicContact OD2-CZ 3.41Å; D281-R283 IonicContact OD2-NE 3.27Å; D281-R283 PolarHBondContact OD2-NE 2.81Å; D281-R283 IonicContact OD2-NH2 2.73Å; D281-R283 PolarHBondContact OD2-NH2 2.82Å; D281-W284 PolarHBondContact O-N 2.85Å; D281-G298 VanDerWaalsContact O-CA 3.25Å; D281-G298 WeakPolarHBondContact O-CA 3.11Å; D281-R299 WeakPolarHBondContact CB-O 3.17Å; D281-R299 PolarHBondContact N-O 3.17Å; D281-R299 PolarHBondContact O-N 2.84Å; D281-H301 WeakPolarHBondContact CB-NE2 3.15Å; D281-H301 IonicContact OD2-CD2 3.06Å; D281-H301 IonicContact OD2-CE1 3.48Å; D281-H301 IonicContact OD2-NE2 3.21Å; D281-H301 PolarHBondContact OD2-NE2 3.37Å
282Q95.6Very high88Confident141 Ų14187.2 Ų87.266%0.65946%0.455SS*.G310 helixtrans-71.3-11.2-179.5-66.2-178.6-7.400113.6V280 W284 A285V280-Q282 PolarHBondContact O-N 3.48Å; Q282-W284 PolarHBondContact O-N 2.68Å; Q282-A285 WeakPolarHBondContact O-CB 3.47Å; Q282-A285 PolarHBondContact O-N 3.28Å
283R94.6Very high87Confident210 Ų21087.4 Ų87.479%0.79246%0.463SS*.G310 helixtrans-64.9-18.7173.2-60.6175.9-63.6169.93.4112.2D281 A285D281-R283 PolarHBondContact O-N 2.9Å; D281-R283 VanDerWaalsContact OD1-CB 3.27Å; D281-R283 WeakPolarHBondContact OD1-CB 3.46Å; D281-R283 WeakPolarHBondContact OD1-CG 3.37Å; D281-R283 IonicContact OD1-CZ 3.83Å; D281-R283 PolarHBondContact OD1-N 3.48Å; D281-R283 IonicContact OD1-NE 2.95Å; D281-R283 PolarHBondContact OD1-NE 3.41Å; D281-R283 IonicContact OD1-NH2 3.81Å; D281-R283 IonicContact OD2-CZ 3.41Å; D281-R283 IonicContact OD2-NE 3.27Å; D281-R283 PolarHBondContact OD2-NE 2.81Å; D281-R283 IonicContact OD2-NH2 2.73Å; D281-R283 PolarHBondContact OD2-NH2 2.82Å; R283-A285 VanDerWaalsContact C-N 3.35Å
284W92.8Very high86.4Confident149 Ų14986.3 Ų86.356%0.56446%0.462SS*.G310 helixtrans-9613.8174.3-66.778000112.6D281 Q282 R299 H301D281-W284 PolarHBondContact O-N 2.85Å; Q282-W284 PolarHBondContact O-N 2.68Å; W284-R299 HydrophobicContact CB-CB 3.63Å; W284-R299 HydrophobicContact CG-CB 3.98Å; W284-H301 AromaticContact CD1-CE1 3.61Å; W284-H301 AromaticContact CD1-NE2 3.91Å; W284-H301 AromaticContact CE2-CE1 3.81Å; W284-H301 AromaticContact NE1-CE1 3.33Å; W284-H301 PolarHBondContact NE1-CE1 3.48Å; W284-H301 VanDerWaalsContact NE1-CE1 3.33Å; W284-H301 AromaticContact NE1-NE2 3.77Å
285A92.1Very high86.1Confident54 Ų5491.4 Ų91.445%0.44648%0.482SS..  trans-63.614817000000110.4Q282 R283 I296 V297Q282-A285 WeakPolarHBondContact O-CB 3.47Å; Q282-A285 PolarHBondContact O-N 3.28Å; R283-A285 VanDerWaalsContact C-N 3.35Å; A285-I296 WeakPolarHBondContact CA-O 3.27Å; A285-V297 WeakPolarHBondContact CB-O 3.35Å
286G89.1Confident85.9Confident34 Ų3487.7 Ų87.735%0.35146%0.461SS..EExtended strand (participates in β ladder)trans176.1-161.5-17600000111.9I296G286-I296 PolarHBondContact N-O 2.96Å; G286-I296 VanDerWaalsContact N-O 3.12Å; G286-I296 PolarHBondContact O-N 3.32Å
287V84.9Confident85.9Confident90 Ų9088.1 Ų88.155%0.54546%0.464SS..EExtended strand (participates in β ladder)trans-120.5119.3177.1-177.50000108.2K289 T293 Q294V287-K289 PolarHBondContact O-N 2.87Å; V287-T293 HydrophobicContact CG1-CG2 3.66Å; V287-Q294 WeakPolarHBondContact CA-O 3.3Å
288A74.9Confident85.8Confident30 Ų3085.1 Ų85.125%0.24845%0.449CS..EExtended strand (participates in β ladder)trans-73.4119.2170.100000108.2Q294 I296A288-Q294 PolarHBondContact N-O 2.82Å; A288-Q294 PolarHBondContact O-N 3.3Å; A288-Q294 VanDerWaalsContact O-N 3.17Å; A288-I296 HydrophobicContact CB-CD1 3.85Å; A288-I296 HydrophobicContact CB-CG1 3.89Å
289K65.8Low85.8Confident193 Ų19378.3 Ų78.384%0.83942%0.424SS*.EExtended strand (participates in β ladder)trans-97.4112.6170.7-68.8-174.2178.1-176.90108.2V287 T293V287-K289 PolarHBondContact O-N 2.87Å; K289-T293 HydrophobicContact CG-CG2 4.37Å
290G66.7Low85.9Confident67 Ų6775.5 Ų75.569%0.69141%0.409SS*.SBendtrans-152-136.6178.200000110.3G292G290-G292 CarbonylContact C-O 3.54Å; G290-G292 PolarHBondContact N-O 2.81Å; G290-G292 PolarHBondContact O-N 3.47Å
291V56.1Low85.8Confident163 Ų16378.7 Ų78.799%0.98842%0.422SS*.SBendtrans-69.955.9170.6-162.40000110.3
292G68.2Low85.7Confident43 Ų4382.1 Ų82.144%0.44344%0.44SS..SBendtrans128.6170.2-167.900000113G290G290-G292 CarbonylContact C-O 3.54Å; G290-G292 PolarHBondContact N-O 2.81Å; G290-G292 PolarHBondContact O-N 3.47Å
293T76.6Confident85.7Confident107 Ų10775.9 Ų75.966%0.65641%0.413SS*.EExtended strand (participates in β ladder)trans-106.5117.8170.116.40000108.4V287 K289V287-T293 HydrophobicContact CG1-CG2 3.66Å; K289-T293 HydrophobicContact CG-CG2 4.37Å
294Q82.8Confident85.8Confident77 Ų7770.9 Ų70.936%0.3640%0.398SS..EExtended strand (participates in β ladder)trans-124.8142.7178.9-66.8178.324.400110.5V287 A288 I296 L319 E321V287-Q294 WeakPolarHBondContact CA-O 3.3Å; A288-Q294 PolarHBondContact N-O 2.82Å; A288-Q294 PolarHBondContact O-N 3.3Å; A288-Q294 VanDerWaalsContact O-N 3.17Å; Q294-I296 PolarHBondContact O-N 3.36Å; Q294-L319 HydrophobicContact CB-CD2 3.71Å; Q294-L319 HydrophobicContact CG-CD2 4.46Å; Q294-E321 PolarHBondContact OE1-O 2.87Å
295R91.2Very high86Confident107 Ų10763.9 Ų63.940%0.40437%0.372SS..EExtended strand (participates in β ladder)trans-79.5120.4-179.2-168.4176.968.875.4-4.3110.3E320R295-E320 HydrophobicContact CB-CB 4.45Å; R295-E320 VanDerWaalsContact CZ-CD 3.47Å; R295-E320 IonicContact CZ-OE1 3.45Å; R295-E320 IonicContact CZ-OE2 2.92Å; R295-E320 VanDerWaalsContact CZ-OE2 3.23Å; R295-E320 VanDerWaalsContact NE-CD 3.34Å; R295-E320 IonicContact NE-OE1 3.32Å; R295-E320 IonicContact NE-OE2 3.58Å; R295-E320 PolarHBondContact NE-OE2 2.86Å; R295-E320 IonicContact NH2-OE1 3.6Å; R295-E320 PolarHBondContact NH2-OE1 3.49Å; R295-E320 IonicContact NH2-OE2 3.63Å; R295-E320 PolarHBondContact NH2-OE2 2.86Å; R295-E320 VanDerWaalsContact NH2-OE2 3.14Å; R295-E320 PolarHBondContact O-N 3.4Å; R295-E320 VanDerWaalsContact O-N 3.12Å
296I93.4Very high86.3Confident26 Ų2663.3 Ų63.313%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-83.7119.8169.5-59.5167.1000107.6A285 G286 A288 Q294 G298 I318 L319A285-I296 WeakPolarHBondContact CA-O 3.27Å; G286-I296 PolarHBondContact N-O 2.96Å; G286-I296 VanDerWaalsContact N-O 3.12Å; G286-I296 PolarHBondContact O-N 3.32Å; A288-I296 HydrophobicContact CB-CD1 3.85Å; A288-I296 HydrophobicContact CB-CG1 3.89Å; Q294-I296 PolarHBondContact O-N 3.36Å; I296-G298 WeakPolarHBondContact CG2-O 3.24Å; I296-I318 CarbonylContact C-O 3.6Å; I296-I318 WeakPolarHBondContact CA-O 3.29Å; I296-L319 HydrophobicContact CG1-CD1 4Å; I296-L319 HydrophobicContact CG1-CG 4.46Å
297V95.4Very high86.6Confident13 Ų1361.9 Ų61.98%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-74-37176.4-176.70000110.9Q268 A285 I318 E320Q268-V297 HydrophobicContact CB-CG2 4.36Å; A285-V297 WeakPolarHBondContact CB-O 3.35Å; V297-I318 HydrophobicContact CB-CB 4.23Å; V297-I318 HydrophobicContact CB-CG2 4.05Å; V297-I318 HydrophobicContact CG2-CG2 4.23Å; V297-I318 PolarHBondContact N-O 3.26Å; V297-E320 HydrophobicContact CG2-CB 4.11Å
298G95.8Very high87.2Confident0 Ų062.5 Ų62.50%034%0.341CS..EExtended strand (participates in β ladder)trans169.4-166.5179.700000111.3D281 I296 I318D281-G298 VanDerWaalsContact O-CA 3.25Å; D281-G298 WeakPolarHBondContact O-CA 3.11Å; I296-G298 WeakPolarHBondContact CG2-O 3.24Å; G298-I318 PolarHBondContact O-N 3.18Å
299R96.3Very high88Confident39 Ų3963.7 Ų63.715%0.14736%0.356CS..EExtended strand (participates in β ladder)trans-129.9138-179.7-170.5175.4-178.882.1-0.3111.6D281 W284 S315 F316 S317D281-R299 WeakPolarHBondContact CB-O 3.17Å; D281-R299 PolarHBondContact N-O 3.17Å; D281-R299 PolarHBondContact O-N 2.84Å; W284-R299 HydrophobicContact CB-CB 3.63Å; W284-R299 HydrophobicContact CG-CB 3.98Å; R299-S315 PolarHBondContact NH2-OG 2.72Å; R299-F316 WeakPolarHBondContact CG-O 3.36Å; R299-S317 PolarHBondContact NH1-OG 2.93Å; R299-S317 VanDerWaalsContact NH1-OG 3.14Å
300V97.4Very high89.4Confident0 Ų056.3 Ų56.30%033%0.326CS..EExtended strand (participates in β ladder)trans-93.1115165.9178.50000107.6L279 V280 A303 S315 F316 I318L279-V300 HydrophobicContact CB-CG1 4.15Å; L279-V300 HydrophobicContact CB-CG2 4.39Å; V280-V300 HydrophobicContact CG2-CG2 3.89Å; V300-A303 HydrophobicContact CG1-CB 3.68Å; V300-S315 CarbonylContact O-C 3.51Å; V300-S315 VanDerWaalsContact O-CA 3.29Å; V300-S315 WeakPolarHBondContact O-CA 3.34Å; V300-F316 HydrophobicContact CB-CD2 4.08Å; V300-F316 HydrophobicContact CB-CE2 3.82Å; V300-F316 HydrophobicContact CB-CZ 4.11Å; V300-F316 HydrophobicContact CG1-CE1 4.46Å; V300-F316 HydrophobicContact CG1-CE2 4.27Å; V300-F316 HydrophobicContact CG1-CZ 4.06Å; V300-F316 HydrophobicContact CG2-CD2 4.28Å; V300-F316 HydrophobicContact CG2-CE2 3.79Å; V300-F316 HydrophobicContact CG2-CZ 4.35Å; V300-F316 PolarHBondContact N-O 3.1Å; V300-F316 PolarHBondContact O-N 3.08Å; V300-I318 HydrophobicContact CG2-CD1 4.03Å; V300-I318 HydrophobicContact CG2-CG1 4.19Å
301H95.9Very high90.8Very high85 Ų8558.5 Ų58.539%0.39432%0.317SS..EExtended strand (participates in β ladder)trans-73.9-35-176.6-63.1-53000112.8D281 W284 S315D281-H301 WeakPolarHBondContact CB-NE2 3.15Å; D281-H301 IonicContact OD2-CD2 3.06Å; D281-H301 IonicContact OD2-CE1 3.48Å; D281-H301 IonicContact OD2-NE2 3.21Å; D281-H301 PolarHBondContact OD2-NE2 3.37Å; W284-H301 AromaticContact CD1-CE1 3.61Å; W284-H301 AromaticContact CD1-NE2 3.91Å; W284-H301 AromaticContact CE2-CE1 3.81Å; W284-H301 AromaticContact NE1-CE1 3.33Å; W284-H301 PolarHBondContact NE1-CE1 3.48Å; W284-H301 VanDerWaalsContact NE1-CE1 3.33Å; W284-H301 AromaticContact NE1-NE2 3.77Å; H301-S315 WeakPolarHBondContact O-CB 3.25Å
302L95Very high92.7Very high97 Ų9751.2 Ų51.251%0.50827%0.272SS..EExtended strand (participates in β ladder)trans-155.5117.2-178.9-169.470.6000110Q313 C314L302-Q313 HydrophobicContact CD1-CB 3.75Å; L302-Q313 HydrophobicContact CD1-CG 4.09Å; L302-C314 WeakPolarHBondContact CA-O 3.37Å
303A95.9Very high94Very high9 Ų953.7 Ų53.77%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-140.9155.5167.800000109.7L279 V300 C314 F316L279-A303 HydrophobicContact CD1-CB 4.41Å; V300-A303 HydrophobicContact CG1-CB 3.68Å; A303-C314 PolarHBondContact N-O 3.46Å; A303-C314 PolarHBondContact O-N 2.8Å; A303-F316 HydrophobicContact CB-CE1 3.94Å; A303-F316 HydrophobicContact CB-CZ 3.94Å
304Q95.9Very high95Very high106 Ų10648.7 Ų48.750%0.49524%0.242SC..EExtended strand (participates in β ladder)trans-90.1122.5176.2-71.5179.7-26.400110F311 L312Q304-F311 HydrophobicContact CB-CB 4.33Å; Q304-F311 HydrophobicContact CB-CD1 4.27Å; Q304-F311 HydrophobicContact CG-CB 4.32Å; Q304-L312 CarbonylContact C-O 3.51Å; Q304-L312 WeakPolarHBondContact CA-O 3.43Å
305I96.9Very high95.6Very high2 Ų246.2 Ų46.21%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-99.2118.1166.3-57.3-178.6000106.7C246 V248 I307 L312 C314 F316 I326 L328C246-I305 HydrophobicContact CB-CG2 3.92Å; V248-I305 HydrophobicContact CG2-CB 4.39Å; V248-I305 HydrophobicContact CG2-CG1 3.92Å; V248-I305 HydrophobicContact CG2-CG2 4.34Å; I305-I307 HydrophobicContact CG2-CG1 4.27Å; I305-L312 PolarHBondContact N-O 2.85Å; I305-L312 PolarHBondContact O-N 2.83Å; I305-C314 HydrophobicContact CD1-CB 3.69Å; I305-C314 HydrophobicContact CG1-CB 4Å; I305-F316 HydrophobicContact CD1-CD1 4.43Å; I305-F316 HydrophobicContact CD1-CE1 4.27Å; I305-F316 HydrophobicContact CG1-CE1 4.42Å; I305-I326 HydrophobicContact CD1-CD1 3.6Å; I305-L328 HydrophobicContact CD1-CD2 4.16Å
306Q97.8Very high95.8Very high42 Ų4241.1 Ų41.120%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-85121.8176.6-177.3-176-3.800109.9C246 K247 E308 D310 F311C246-Q306 CarbonylContact C-O 3.52Å; C246-Q306 WeakPolarHBondContact CA-O 3.46Å; C246-Q306 WeakPolarHBondContact CB-O 3.35Å; K247-Q306 HydrophobicContact CB-CB 4.11Å; K247-Q306 PolarHBondContact N-O 3.4Å; K247-Q306 PolarHBondContact O-N 2.91Å; Q306-E308 WeakPolarHBondContact CG-O 3.2Å; Q306-E308 PolarHBondContact NE2-O 3.27Å; Q306-D310 CarbonylContact C-O 3.55Å; Q306-D310 WeakPolarHBondContact CA-O 3.19Å; Q306-F311 HydrophobicContact CB-CD1 4Å; Q306-F311 HydrophobicContact CB-CE1 3.88Å; Q306-F311 HydrophobicContact CG-CD1 4.3Å; Q306-F311 HydrophobicContact CG-CE1 3.94Å; Q306-F311 HydrophobicContact CG-CZ 4.05Å
307I96.7Very high95.9Very high3 Ų340.2 Ų40.22%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-120119171.5-59.4-179.1000106.8I244 C246 I305 G309 D310 L312 I349 T356I244-I307 HydrophobicContact CD1-CD1 3.77Å; I244-I307 HydrophobicContact CD1-CG1 4.38Å; C246-I307 HydrophobicContact CB-CG1 3.99Å; I305-I307 HydrophobicContact CG2-CG1 4.27Å; I307-G309 PolarHBondContact O-N 3.45Å; I307-G309 VanDerWaalsContact O-N 3.09Å; I307-D310 PolarHBondContact N-O 3.48Å; I307-D310 PolarHBondContact O-N 3.32Å; I307-L312 HydrophobicContact CD1-CD1 3.7Å; I307-L312 HydrophobicContact CG1-CD1 4.33Å; I307-I349 HydrophobicContact CD1-CD1 3.96Å; I307-T356 HydrophobicContact CG2-CG2 3.63Å
308E95.9Very high96Very high104 Ų10439.6 Ų39.649%0.48621%0.206SC..THydrogen-bonded Turntrans51.1-113.9-168.3-54.1-55.5147.400111.7Q306 T354 T356Q306-E308 WeakPolarHBondContact CG-O 3.2Å; Q306-E308 PolarHBondContact NE2-O 3.27Å; E308-T354 HydrophobicContact CB-CG2 3.94Å; E308-T354 HydrophobicContact CG-CG2 4.05Å; E308-T356 WeakPolarHBondContact OE1-CB 3.33Å; E308-T356 PolarHBondContact OE1-OG1 3.39Å
309G92.5Very high95.9Very high55 Ų5539.8 Ų39.857%0.56721%0.207SC*.THydrogen-bonded Turntrans-93.7-8.8176.500000115.1I307I307-G309 PolarHBondContact O-N 3.45Å; I307-G309 VanDerWaalsContact O-N 3.09Å
310D94.9Very high95.7Very high38 Ų3841.8 Ų41.820%0.20322%0.218CC..EExtended strand (participates in β ladder)trans-97144-171-71.7-12.7000112.5Q306 I307 L312 T352 T354Q306-D310 CarbonylContact C-O 3.55Å; Q306-D310 WeakPolarHBondContact CA-O 3.19Å; I307-D310 PolarHBondContact N-O 3.48Å; I307-D310 PolarHBondContact O-N 3.32Å; D310-L312 HydrophobicContact CB-CD2 4.38Å; D310-T352 WeakPolarHBondContact OD2-CB 3.4Å; D310-T352 WeakPolarHBondContact OD2-CG2 3.25Å; D310-T352 PolarHBondContact OD2-OG1 3.39Å; D310-T354 VanDerWaalsContact CG-OG1 3.31Å; D310-T354 WeakPolarHBondContact OD2-CB 3.38Å; D310-T354 PolarHBondContact OD2-OG1 3.32Å
311F96.7Very high95.1Very high112 Ų11249.2 Ų49.249%0.49125%0.253SS..EExtended strand (participates in β ladder)trans-110.398.7178.3-67-92.5000110.6Q304 Q306Q304-F311 HydrophobicContact CB-CB 4.33Å; Q304-F311 HydrophobicContact CB-CD1 4.27Å; Q304-F311 HydrophobicContact CG-CB 4.32Å; Q306-F311 HydrophobicContact CB-CD1 4Å; Q306-F311 HydrophobicContact CB-CE1 3.88Å; Q306-F311 HydrophobicContact CG-CD1 4.3Å; Q306-F311 HydrophobicContact CG-CE1 3.94Å; Q306-F311 HydrophobicContact CG-CZ 4.05Å
312L95.6Very high94.6Very high11 Ų1146.7 Ų46.76%0.05824%0.241CC..EExtended strand (participates in β ladder)trans-86.2125.8-177-55.3-173.4000111.2Q304 I305 I307 D310 C314 I349Q304-L312 CarbonylContact C-O 3.51Å; Q304-L312 WeakPolarHBondContact CA-O 3.43Å; I305-L312 PolarHBondContact N-O 2.85Å; I305-L312 PolarHBondContact O-N 2.83Å; I307-L312 HydrophobicContact CD1-CD1 3.7Å; I307-L312 HydrophobicContact CG1-CD1 4.33Å; D310-L312 HydrophobicContact CB-CD2 4.38Å; L312-C314 PolarHBondContact O-N 3.35Å; L312-I349 HydrophobicContact CD1-CD1 3.94Å; L312-I349 HydrophobicContact CD1-CG1 4.26Å; L312-I349 HydrophobicContact CD1-CG2 3.95Å; L312-I349 HydrophobicContact CD2-CG2 3.85Å
313Q96.3Very high94.1Very high94 Ų9446.8 Ų46.844%0.43925%0.247SC..EExtended strand (participates in β ladder)trans-76.8108.2175.4-75.1-174.4-1.300110.8L302 R335 H336L302-Q313 HydrophobicContact CD1-CB 3.75Å; L302-Q313 HydrophobicContact CD1-CG 4.09Å; Q313-R335 PolarHBondContact O-NE 2.96Å; Q313-H336 PolarHBondContact O-CE1 3.5Å; Q313-H336 VanDerWaalsContact O-CE1 3.31Å; Q313-H336 PolarHBondContact O-NE2 2.93Å; Q313-H336 VanDerWaalsContact O-NE2 3.16Å
314C95.6Very high93.9Very high3 Ų348 Ų482%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-122.6149.3-174.9-62.80000112.3L302 A303 I305 L312 F316 M332 H336L302-C314 WeakPolarHBondContact CA-O 3.37Å; A303-C314 PolarHBondContact N-O 3.46Å; A303-C314 PolarHBondContact O-N 2.8Å; I305-C314 HydrophobicContact CD1-CB 3.69Å; I305-C314 HydrophobicContact CG1-CB 4Å; L312-C314 PolarHBondContact O-N 3.35Å; C314-F316 HydrophobicContact CB-CD1 4.27Å; C314-M332 WeakPolarHBondContact CA-SD 3.42Å; C314-M332 HydrophobicContact CB-CG 4.18Å; C314-M332 HydrophobicContact CB-SD 3.58Å; C314-M332 VanDerWaalsContact CB-SD 3.58Å; C314-H336 PolarHBondContact SG-NE2 3.5Å; C314-H336 VanDerWaalsContact SG-NE2 3.37Å
315S95.5Very high93.8Very high25 Ų2545.3 Ų45.318%0.17524%0.241CC..EExtended strand (participates in β ladder)trans-117.5137.6170.370.70000108.7R299 V300 H301 M332R299-S315 PolarHBondContact NH2-OG 2.72Å; V300-S315 CarbonylContact O-C 3.51Å; V300-S315 VanDerWaalsContact O-CA 3.29Å; V300-S315 WeakPolarHBondContact O-CA 3.34Å; H301-S315 WeakPolarHBondContact O-CB 3.25Å; S315-M332 PolarHBondContact N-SD 3.09Å; S315-M332 VanDerWaalsContact N-SD 3.43Å
316F96.3Very high93.7Very high0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans-153.8153-176.946.3-94.9000112.3T264 M266 I276 R299 V300 A303 I305 C314 I318T264-F316 HydrophobicContact CG2-CB 3.65Å; T264-F316 HydrophobicContact CG2-CG 4.43Å; T264-F316 VanDerWaalsContact O-CA 3.3Å; T264-F316 WeakPolarHBondContact O-CA 3.11Å; T264-F316 VanDerWaalsContact O-CB 3.25Å; T264-F316 WeakPolarHBondContact O-CB 3.2Å; M266-F316 HydrophobicContact CB-CD2 3.72Å; M266-F316 HydrophobicContact CB-CE2 3.92Å; M266-F316 HydrophobicContact CE-CD2 4.48Å; M266-F316 HydrophobicContact CE-CE2 3.76Å; M266-F316 HydrophobicContact CE-CZ 3.8Å; M266-F316 HydrophobicContact CG-CE2 4.46Å; M266-F316 HydrophobicContact SD-CE2 3.74Å; M266-F316 HydrophobicContact SD-CZ 4.27Å; I276-F316 HydrophobicContact CD1-CE2 4Å; I276-F316 HydrophobicContact CD1-CZ 3.9Å; R299-F316 WeakPolarHBondContact CG-O 3.36Å; V300-F316 HydrophobicContact CB-CD2 4.08Å; V300-F316 HydrophobicContact CB-CE2 3.82Å; V300-F316 HydrophobicContact CB-CZ 4.11Å; V300-F316 HydrophobicContact CG1-CE1 4.46Å; V300-F316 HydrophobicContact CG1-CE2 4.27Å; V300-F316 HydrophobicContact CG1-CZ 4.06Å; V300-F316 HydrophobicContact CG2-CD2 4.28Å; V300-F316 HydrophobicContact CG2-CE2 3.79Å; V300-F316 HydrophobicContact CG2-CZ 4.35Å; V300-F316 PolarHBondContact N-O 3.1Å; V300-F316 PolarHBondContact O-N 3.08Å; A303-F316 HydrophobicContact CB-CE1 3.94Å; A303-F316 HydrophobicContact CB-CZ 3.94Å; I305-F316 HydrophobicContact CD1-CD1 4.43Å; I305-F316 HydrophobicContact CD1-CE1 4.27Å; I305-F316 HydrophobicContact CG1-CE1 4.42Å; C314-F316 HydrophobicContact CB-CD1 4.27Å; F316-I318 HydrophobicContact CD2-CD1 3.78Å; F316-I318 HydrophobicContact CE2-CD1 3.81Å
317S95.6Very high93.6Very high7 Ų744 Ų445%0.04924%0.235CC..EExtended strand (participates in β ladder)trans-86.7146175.6-67.70000110.4M263 T264 I265 M266 R299M263-S317 VanDerWaalsContact CE-OG 3.31Å; M263-S317 WeakPolarHBondContact CE-OG 3.45Å; T264-S317 PolarHBondContact O-N 3.47Å; T264-S317 VanDerWaalsContact O-N 3.09Å; I265-S317 CarbonylContact C-O 3.56Å; I265-S317 WeakPolarHBondContact CA-O 3.45Å; M266-S317 PolarHBondContact N-O 3.17Å; R299-S317 PolarHBondContact NH1-OG 2.93Å; R299-S317 VanDerWaalsContact NH1-OG 3.14Å
318I96.5Very high93.6Very high0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-99.2122.1175.5-53.9-53.9000109.2M266 Q268 A271 V280 I296 V297 G298 V300 F316M266-I318 HydrophobicContact CB-CD1 3.83Å; M266-I318 HydrophobicContact CG-CD1 4.31Å; M266-I318 CarbonylContact O-C 3.58Å; M266-I318 VanDerWaalsContact O-CA 3.27Å; M266-I318 WeakPolarHBondContact O-CA 3.33Å; M266-I318 HydrophobicContact SD-CD1 4.44Å; Q268-I318 HydrophobicContact CB-CG2 4.05Å; A271-I318 HydrophobicContact CB-CD1 4.07Å; A271-I318 HydrophobicContact CB-CG2 4.41Å; V280-I318 HydrophobicContact CG1-CB 4.4Å; V280-I318 HydrophobicContact CG1-CG1 3.96Å; V280-I318 HydrophobicContact CG2-CG1 3.77Å; I296-I318 CarbonylContact C-O 3.6Å; I296-I318 WeakPolarHBondContact CA-O 3.29Å; V297-I318 HydrophobicContact CB-CB 4.23Å; V297-I318 HydrophobicContact CB-CG2 4.05Å; V297-I318 HydrophobicContact CG2-CG2 4.23Å; V297-I318 PolarHBondContact N-O 3.26Å; G298-I318 PolarHBondContact O-N 3.18Å; V300-I318 HydrophobicContact CG2-CD1 4.03Å; V300-I318 HydrophobicContact CG2-CG1 4.19Å; F316-I318 HydrophobicContact CD2-CD1 3.78Å; F316-I318 HydrophobicContact CE2-CD1 3.81Å
319L94.6Very high93.6Very high4 Ų439.3 Ų39.32%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-107.1141177.1-90.476000110.5I265 M266 S267 Q268 Q294 I296I265-L319 HydrophobicContact CB-CD1 4.29Å; I265-L319 HydrophobicContact CD1-CD1 4.06Å; I265-L319 HydrophobicContact CD1-CD2 4.29Å; I265-L319 HydrophobicContact CG1-CD1 3.99Å; I265-L319 HydrophobicContact CG2-CB 3.84Å; I265-L319 HydrophobicContact CG2-CD1 3.35Å; I265-L319 HydrophobicContact CG2-CD2 4.14Å; I265-L319 HydrophobicContact CG2-CG 3.92Å; M266-L319 PolarHBondContact O-N 3.29Å; S267-L319 CarbonylContact C-O 3.58Å; S267-L319 WeakPolarHBondContact CA-O 3.37Å; Q268-L319 PolarHBondContact N-O 3.44Å; Q294-L319 HydrophobicContact CB-CD2 3.71Å; Q294-L319 HydrophobicContact CG-CD2 4.46Å; I296-L319 HydrophobicContact CG1-CD1 4Å; I296-L319 HydrophobicContact CG1-CG 4.46Å
320E91.2Very high93.8Very high81 Ų8139.4 Ų39.438%0.37920%0.201SC..SBendtrans-65-54.8-176.4-178177.1-139.900111.9R295 V297R295-E320 HydrophobicContact CB-CB 4.45Å; R295-E320 VanDerWaalsContact CZ-CD 3.47Å; R295-E320 IonicContact CZ-OE1 3.45Å; R295-E320 IonicContact CZ-OE2 2.92Å; R295-E320 VanDerWaalsContact CZ-OE2 3.23Å; R295-E320 VanDerWaalsContact NE-CD 3.34Å; R295-E320 IonicContact NE-OE1 3.32Å; R295-E320 IonicContact NE-OE2 3.58Å; R295-E320 PolarHBondContact NE-OE2 2.86Å; R295-E320 IonicContact NH2-OE1 3.6Å; R295-E320 PolarHBondContact NH2-OE1 3.49Å; R295-E320 IonicContact NH2-OE2 3.63Å; R295-E320 PolarHBondContact NH2-OE2 2.86Å; R295-E320 VanDerWaalsContact NH2-OE2 3.14Å; R295-E320 PolarHBondContact O-N 3.4Å; R295-E320 VanDerWaalsContact O-N 3.12Å; V297-E320 HydrophobicContact CG2-CB 4.11Å
321E86.3Confident93.8Very high156 Ų15639.5 Ų39.573%0.72920%0.201SC*.SBendtrans-117.2112.9-177.5-62.7-171.1173.400109.9Q294Q294-E321 PolarHBondContact OE1-O 2.87Å
322Q84.3Confident93.8Very high32 Ų3234.6 Ų34.615%0.1518%0.18CC..  trans-147134.3175.3-176.1179.8-79.400109.3M324Q322-M324 VanDerWaalsContact C-N 3.28Å; Q322-M324 HydrophobicContact CG-CG 3.92Å; Q322-M324 WeakPolarHBondContact CG-O 3.44Å; Q322-M324 PolarHBondContact NE2-O 2.9Å; Q322-M324 PolarHBondContact O-N 3.23Å
323P85.9Confident93.9Very high98 Ų9834.7 Ų34.764%0.63618%0.181SC*.SBendtrans-69.6-22.7-17726.4-35.1000114.1C367P323-C367 HydrophobicContact CB-CB 3.92Å; P323-C367 PolarHBondContact O-SG 2.9Å
324M89.9Confident93.9Very high35 Ų3539 Ų3917%0.17219%0.193CC..SBendtrans-109.2153.8179.268-157.476.200111F256 Q322 L327F256-M324 HydrophobicContact CB-SD 3.59Å; F256-M324 VanDerWaalsContact CB-SD 3.59Å; F256-M324 HydrophobicContact CD1-CE 4.2Å; F256-M324 HydrophobicContact CD1-SD 3.42Å; F256-M324 WeakPolarHBondContact CD1-SD 3.4Å; F256-M324 HydrophobicContact CE1-SD 4.4Å; F256-M324 HydrophobicContact CG-SD 3.81Å; Q322-M324 VanDerWaalsContact C-N 3.28Å; Q322-M324 HydrophobicContact CG-CG 3.92Å; Q322-M324 WeakPolarHBondContact CG-O 3.44Å; Q322-M324 PolarHBondContact NE2-O 2.9Å; Q322-M324 PolarHBondContact O-N 3.23Å; M324-L327 HydrophobicContact SD-CB 3.98Å; M324-L327 HydrophobicContact SD-CD1 4.04Å; M324-L327 HydrophobicContact SD-CG 4.35Å
325D93.9Very high94Very high49 Ų4945.4 Ų45.426%0.26222%0.217SC..SBendtrans-65.1-54.8-179.3-81.1-33.1000112.2L253 M266 S267 C270 R273L253-D325 HydrophobicContact CB-CB 4.36Å; M266-D325 WeakPolarHBondContact CA-O 3.46Å; S267-D325 PolarHBondContact N-O 3.49Å; C270-D325 HydrophobicContact CB-CB 4.09Å; R273-D325 IonicContact CZ-OD2 3.7Å; R273-D325 IonicContact NH2-OD1 3.61Å; R273-D325 PolarHBondContact NH2-OD1 2.97Å; R273-D325 IonicContact NH2-OD2 3.38Å; R273-D325 PolarHBondContact NH2-OD2 3.41Å
326I95.2Very high94.1Very high0 Ų045 Ų450%021%0.212CC..EExtended strand (participates in β ladder)trans-141.5142.8178.8-161.8-179.9000109.8L253 A255 F256 T264 I265 M266 I305L253-I326 HydrophobicContact CD1-CB 4.01Å; L253-I326 HydrophobicContact CD1-CG2 3.22Å; A255-I326 VanDerWaalsContact CA-CG2 3.41Å; A255-I326 HydrophobicContact CB-CG2 3.33Å; F256-I326 PolarHBondContact N-O 3.49Å; T264-I326 HydrophobicContact CG2-CD1 4.48Å; T264-I326 HydrophobicContact CG2-CG1 4.5Å; I265-I326 CarbonylContact O-C 3.55Å; I265-I326 VanDerWaalsContact O-CA 3.32Å; I265-I326 WeakPolarHBondContact O-CA 3.39Å; I265-I326 VanDerWaalsContact O-CG1 3.22Å; I265-I326 WeakPolarHBondContact O-CG1 3.48Å; M266-I326 HydrophobicContact CB-CG1 4.15Å; M266-I326 HydrophobicContact CE-CB 4.41Å; M266-I326 HydrophobicContact CE-CD1 3.65Å; M266-I326 HydrophobicContact CE-CG1 4.14Å; I305-I326 HydrophobicContact CD1-CD1 3.6Å
327L95.8Very high94.1Very high16 Ų1651.6 Ų51.68%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-115118.4170.8-177160.8000107.4F256 D258 A261 T264 I265 M324 G329F256-L327 HydrophobicContact CD1-CD1 3.78Å; F256-L327 HydrophobicContact CD1-CG 3.82Å; F256-L327 HydrophobicContact CE1-CD1 4.14Å; F256-L327 HydrophobicContact CE1-CG 4.5Å; F256-L327 CarbonylContact O-C 3.49Å; F256-L327 WeakPolarHBondContact O-CA 3.34Å; D258-L327 HydrophobicContact CB-CD1 4.37Å; D258-L327 HydrophobicContact CB-CD2 4.08Å; D258-L327 HydrophobicContact CB-CG 4.17Å; A261-L327 HydrophobicContact CB-CD1 4.38Å; A261-L327 HydrophobicContact CB-CD2 3.46Å; A261-L327 VanDerWaalsContact CB-CD2 3.46Å; T264-L327 CarbonylContact C-O 3.57Å; T264-L327 VanDerWaalsContact CA-O 3.25Å; T264-L327 WeakPolarHBondContact CA-O 3.26Å; T264-L327 WeakPolarHBondContact CG2-O 3.49Å; I265-L327 PolarHBondContact N-O 3.3Å; I265-L327 PolarHBondContact O-N 3.44Å; M324-L327 HydrophobicContact SD-CB 3.98Å; M324-L327 HydrophobicContact SD-CD1 4.04Å; M324-L327 HydrophobicContact SD-CG 4.35Å; L327-G329 PolarHBondContact O-N 3.3Å
328L96.6Very high94.2Very high10 Ų1052.8 Ų52.85%0.05225%0.25CS..EExtended strand (participates in β ladder)trans-86.1103.7172.5-76.4171.4000109.5I244 A255 F256 D258 T264 I305 M332I244-L328 HydrophobicContact CD1-CD1 3.94Å; I244-L328 HydrophobicContact CG1-CD1 4.46Å; A255-L328 HydrophobicContact CB-CD1 3.72Å; A255-L328 HydrophobicContact CB-CG 4.07Å; F256-L328 PolarHBondContact O-N 3.12Å; D258-L328 PolarHBondContact N-O 3.44Å; T264-L328 HydrophobicContact CG2-CD2 4.11Å; I305-L328 HydrophobicContact CD1-CD2 4.16Å; L328-M332 HydrophobicContact CD2-CB 4.33Å
329G96.2Very high94.3Very high0 Ų055.9 Ų55.90%027%0.272CS..  trans-86.4175.8-179.200000113.2D258 A261 T264 L327 D331 M332 L333D258-G329 WeakPolarHBondContact O-CA 3.38Å; A261-G329 WeakPolarHBondContact O-CA 3.35Å; T264-G329 PolarHBondContact OG1-N 2.92Å; L327-G329 PolarHBondContact O-N 3.3Å; G329-D331 PolarHBondContact O-N 3.48Å; G329-M332 PolarHBondContact O-N 3.05Å; G329-L333 VanDerWaalsContact O-CG 3.31Å; G329-L333 WeakPolarHBondContact O-CG 3.38Å; G329-L333 PolarHBondContact O-N 3.1Å; G329-L333 VanDerWaalsContact O-N 3.07Å
330L96.9Very high94.5Very high57 Ų5758.4 Ų58.430%0.29829%0.285SS..Hα-helixtrans-59.3-29.4179.9-170.463.1000113.2A261 R334A261-L330 WeakPolarHBondContact O-CB 3.5Å; A261-L330 PolarHBondContact O-N 2.93Å; L330-R334 HydrophobicContact CD1-CG 3.95Å; L330-R334 HydrophobicContact CG-CG 4.09Å; L330-R334 VanDerWaalsContact O-CB 3.25Å; L330-R334 WeakPolarHBondContact O-CB 3.27Å; L330-R334 WeakPolarHBondContact O-CG 3.3Å; L330-R334 PolarHBondContact O-N 2.66Å
331D95.3Very high94.7Very high39 Ų3956.2 Ų56.221%0.20928%0.276CS..Hα-helixtrans-57.9-48.6175.858.6-11.4000112.5Q262 M263 T264 G329 R335Q262-D331 WeakPolarHBondContact O-CB 3.42Å; Q262-D331 PolarHBondContact O-N 3.38Å; M263-D331 WeakPolarHBondContact CA-OD2 3.33Å; T264-D331 WeakPolarHBondContact CB-OD1 3.47Å; T264-D331 VanDerWaalsContact N-CG 3.29Å; T264-D331 PolarHBondContact N-OD1 3.26Å; T264-D331 PolarHBondContact N-OD2 3.46Å; T264-D331 PolarHBondContact OG1-OD1 3.33Å; G329-D331 PolarHBondContact O-N 3.48Å; D331-R335 VanDerWaalsContact O-CB 3.27Å; D331-R335 WeakPolarHBondContact O-CB 3.38Å; D331-R335 PolarHBondContact O-N 3.08Å; D331-R335 VanDerWaalsContact O-N 3.1Å
332M95.9Very high95.2Very high10 Ų1054.3 Ų54.35%0.04927%0.27CS..Hα-helixtrans-80.3-35.3179.5-65.2-57.5100.700111.9T264 C314 S315 L328 G329 R335 H336T264-M332 HydrophobicContact CG2-CG 4.01Å; T264-M332 WeakPolarHBondContact OG1-CB 3.27Å; T264-M332 WeakPolarHBondContact OG1-CG 3.38Å; C314-M332 WeakPolarHBondContact CA-SD 3.42Å; C314-M332 HydrophobicContact CB-CG 4.18Å; C314-M332 HydrophobicContact CB-SD 3.58Å; C314-M332 VanDerWaalsContact CB-SD 3.58Å; S315-M332 PolarHBondContact N-SD 3.09Å; S315-M332 VanDerWaalsContact N-SD 3.43Å; L328-M332 HydrophobicContact CD2-CB 4.33Å; G329-M332 PolarHBondContact O-N 3.05Å; M332-R335 PolarHBondContact O-N 2.96Å; M332-H336 PolarHBondContact O-CD2 2.94Å; M332-H336 PolarHBondContact O-N 3.43Å; M332-H336 VanDerWaalsContact O-N 3.09Å
333L97.6Very high95.6Very high13 Ų1362.4 Ų62.47%0.06831%0.305CS..Hα-helixtrans-60.6-45.1174.1-66.6171000111.3V257 G329 Q337 C338 I340 L347V257-L333 HydrophobicContact CG1-CD1 4.26Å; V257-L333 HydrophobicContact CG1-CD2 4.17Å; G329-L333 VanDerWaalsContact O-CG 3.31Å; G329-L333 WeakPolarHBondContact O-CG 3.38Å; G329-L333 PolarHBondContact O-N 3.1Å; G329-L333 VanDerWaalsContact O-N 3.07Å; L333-Q337 PolarHBondContact O-N 3.12Å; L333-C338 HydrophobicContact CB-CB 4.33Å; L333-C338 HydrophobicContact CD2-CB 3.78Å; L333-C338 PolarHBondContact O-N 3.47Å; L333-I340 HydrophobicContact CD1-CD1 4.29Å; L333-L347 HydrophobicContact CD2-CD1 4.12Å
334R97.2Very high96.1Very high184 Ų18463.8 Ų63.869%0.69430%0.301SS*.Hα-helixtrans-67.4-42.3174.9-77-172.9175.8-167.10.9112.2L330 H336 Q337L330-R334 HydrophobicContact CD1-CG 3.95Å; L330-R334 HydrophobicContact CG-CG 4.09Å; L330-R334 VanDerWaalsContact O-CB 3.25Å; L330-R334 WeakPolarHBondContact O-CB 3.27Å; L330-R334 WeakPolarHBondContact O-CG 3.3Å; L330-R334 PolarHBondContact O-N 2.66Å; R334-H336 VanDerWaalsContact C-N 3.29Å; R334-H336 PolarHBondContact O-N 3.33Å; R334-Q337 PolarHBondContact O-N 2.88Å; R334-Q337 VanDerWaalsContact O-N 3.13Å
335R96.7Very high96.3Very high138 Ų13865.7 Ų65.752%0.52131%0.312SS..Hα-helixtrans-56.7-42.9-179178.7176.5-178.375.73.5112.4Q313 D331 M332Q313-R335 PolarHBondContact O-NE 2.96Å; D331-R335 VanDerWaalsContact O-CB 3.27Å; D331-R335 WeakPolarHBondContact O-CB 3.38Å; D331-R335 PolarHBondContact O-N 3.08Å; D331-R335 VanDerWaalsContact O-N 3.1Å; M332-R335 PolarHBondContact O-N 2.96Å
336H97.3Very high96.5Very high17 Ų1763.5 Ų63.58%0.07930%0.3CS..THydrogen-bonded Turntrans-97.614.2-179.2-59.4-64.1000113.3Q313 C314 M332 R334 C338 I349 G350 T351Q313-H336 PolarHBondContact O-CE1 3.5Å; Q313-H336 VanDerWaalsContact O-CE1 3.31Å; Q313-H336 PolarHBondContact O-NE2 2.93Å; Q313-H336 VanDerWaalsContact O-NE2 3.16Å; C314-H336 PolarHBondContact SG-NE2 3.5Å; C314-H336 VanDerWaalsContact SG-NE2 3.37Å; M332-H336 PolarHBondContact O-CD2 2.94Å; M332-H336 PolarHBondContact O-N 3.43Å; M332-H336 VanDerWaalsContact O-N 3.09Å; R334-H336 VanDerWaalsContact C-N 3.29Å; R334-H336 PolarHBondContact O-N 3.33Å; H336-C338 PolarHBondContact O-N 2.92Å; H336-I349 HydrophobicContact CB-CG2 4.24Å; H336-G350 PolarHBondContact O-N 3.36Å; H336-T351 PolarHBondContact O-N 2.9Å
337Q97.6Very high96.7Very high138 Ų13863.6 Ų63.665%0.64530%0.301SS*.THydrogen-bonded Turntrans51.440.7177.7-59.7179.8-36.300112.6L333 R334 G350L333-Q337 PolarHBondContact O-N 3.12Å; R334-Q337 PolarHBondContact O-N 2.88Å; R334-Q337 VanDerWaalsContact O-N 3.13Å; Q337-G350 WeakPolarHBondContact O-CA 3.39Å; Q337-G350 PolarHBondContact O-N 3.16Å
338C97.9Very high96.8Very high31 Ų3164.1 Ų64.121%0.20930%0.304CS..  trans-67146.6-174.2-61.50000112.1L333 H336 L347 V348L333-C338 HydrophobicContact CB-CB 4.33Å; L333-C338 HydrophobicContact CD2-CB 3.78Å; L333-C338 PolarHBondContact O-N 3.47Å; H336-C338 PolarHBondContact O-N 2.92Å; C338-L347 HydrophobicContact CB-CD1 4.06Å; C338-V348 CarbonylContact C-O 3.47Å; C338-V348 WeakPolarHBondContact CA-O 3.26Å
339S98.2Very high96.9Very high66 Ų6663.6 Ų63.646%0.46230%0.302SS..EExtended strand (participates in β ladder)trans-117.4122.6169.8-171.60000109.6D341 V348S339-D341 PolarHBondContact O-N 3.27Å; S339-V348 PolarHBondContact N-O 3.37Å; S339-V348 PolarHBondContact O-N 3.39Å
340I97.9Very high96.8Very high57 Ų5765.4 Ų65.429%0.29232%0.32SS..EExtended strand (participates in β ladder)trans-86.896.5173.5-63.4170.3000106.6L242 V257 L333 L342 L347 F358L242-I340 HydrophobicContact CD1-CG2 3.83Å; V257-I340 HydrophobicContact CG1-CD1 3.87Å; V257-I340 HydrophobicContact CG1-CG1 4.25Å; L333-I340 HydrophobicContact CD1-CD1 4.29Å; I340-L342 HydrophobicContact CG2-CD2 3.78Å; I340-L342 HydrophobicContact CG2-CG 4.17Å; I340-L342 PolarHBondContact O-N 3.32Å; I340-L347 HydrophobicContact CG1-CD1 3.73Å; I340-F358 HydrophobicContact CG2-CE2 4.19Å; I340-F358 HydrophobicContact CG2-CZ 3.91Å
341D97Very high96.7Very high35 Ų3566.2 Ų66.219%0.18733%0.327CS..EExtended strand (participates in β ladder)trans-95.593.4-178.7-172.6-21000109.5S339 K343 K344 N345 V346S339-D341 PolarHBondContact O-N 3.27Å; D341-K343 VanDerWaalsContact C-N 3.26Å; D341-K343 PolarHBondContact O-N 2.96Å; D341-K343 WeakPolarHBondContact OD1-CA 3.29Å; D341-K343 WeakPolarHBondContact OD1-CB 3.34Å; D341-K343 PolarHBondContact OD1-N 3.41Å; D341-K344 HydrophobicContact CB-CB 4.47Å; D341-K344 PolarHBondContact OD1-N 3.28Å; D341-K344 VanDerWaalsContact OD2-CD 3.26Å; D341-K344 WeakPolarHBondContact OD2-CD 3.37Å; D341-K344 WeakPolarHBondContact OD2-CG 3.44Å; D341-K344 IonicContact OD2-NZ 3.48Å; D341-N345 VanDerWaalsContact O-CA 3.3Å; D341-N345 WeakPolarHBondContact O-CA 3.21Å; D341-N345 PolarHBondContact O-N 3.23Å; D341-V346 HydrophobicContact CB-CG2 4.03Å; D341-V346 PolarHBondContact N-O 2.87Å; D341-V346 PolarHBondContact O-N 3.13Å
342L95.1Very high96.7Very high116 Ų11667.7 Ų67.761%0.60734%0.338SS*.THydrogen-bonded Turntrans-72.2-20177.8-58.4-179.5000112.8L242 I340 F358L242-L342 HydrophobicContact CD1-CD2 3.94Å; L242-L342 HydrophobicContact CD2-CD2 3.89Å; I340-L342 HydrophobicContact CG2-CD2 3.78Å; I340-L342 HydrophobicContact CG2-CG 4.17Å; I340-L342 PolarHBondContact O-N 3.32Å; L342-F358 HydrophobicContact CD2-CE2 4.35Å
343K93.9Very high96.7Very high202 Ų20269.2 Ų69.288%0.87836%0.357SS*.THydrogen-bonded Turntrans-73-39.3177-178176.3-179.2174.40111.2D341D341-K343 VanDerWaalsContact C-N 3.26Å; D341-K343 PolarHBondContact O-N 2.96Å; D341-K343 WeakPolarHBondContact OD1-CA 3.29Å; D341-K343 WeakPolarHBondContact OD1-CB 3.34Å; D341-K343 PolarHBondContact OD1-N 3.41Å
344K95.5Very high96.6Very high127 Ų12770.2 Ų70.255%0.55236%0.363SS*.THydrogen-bonded Turntrans-92.8-8.8174.9-65.7-178.1-166.6164.40113.4D341 V346D341-K344 HydrophobicContact CB-CB 4.47Å; D341-K344 PolarHBondContact OD1-N 3.28Å; D341-K344 VanDerWaalsContact OD2-CD 3.26Å; D341-K344 WeakPolarHBondContact OD2-CD 3.37Å; D341-K344 WeakPolarHBondContact OD2-CG 3.44Å; D341-K344 IonicContact OD2-NZ 3.48Å; K344-V346 HydrophobicContact CB-CG2 3.86Å
345N95.6Very high96.7Very high75 Ų7566.2 Ų66.240%0.40135%0.352SS..THydrogen-bonded Turntrans56.248.1-174.4-160.141000112.8D341 F358D341-N345 VanDerWaalsContact O-CA 3.3Å; D341-N345 WeakPolarHBondContact O-CA 3.21Å; D341-N345 PolarHBondContact O-N 3.23Å; N345-F358 VanDerWaalsContact C-CD2 3.43Å; N345-F358 PolarHBondContact O-N 3.07Å; N345-F358 WeakPolarHBondContact OD1-CD2 3.21Å
346V97.8Very high96.7Very high3 Ų359.8 Ų59.82%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-135.2150.4179.4-61.70000112.1D341 K344 V348 T356 H357 F358D341-V346 HydrophobicContact CB-CG2 4.03Å; D341-V346 PolarHBondContact N-O 2.87Å; D341-V346 PolarHBondContact O-N 3.13Å; K344-V346 HydrophobicContact CB-CG2 3.86Å; V346-V348 HydrophobicContact CG2-CG2 4.01Å; V346-T356 CarbonylContact C-O 3.6Å; V346-T356 VanDerWaalsContact CA-O 3.25Å; V346-T356 WeakPolarHBondContact CA-O 3.24Å; V346-T356 WeakPolarHBondContact CB-O 3.43Å; V346-H357 VanDerWaalsContact CG1-CE1 3.5Å; V346-H357 WeakPolarHBondContact CG1-CE1 3.24Å; V346-H357 VanDerWaalsContact CG1-ND1 3.33Å; V346-H357 WeakPolarHBondContact CG1-ND1 3.29Å; V346-F358 WeakPolarHBondContact O-CE2 3.19Å
347L98.3Very high96.7Very high1 Ų165.2 Ų65.21%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-92.9119.8160.5-174.471.7000108.9I244 V257 L333 C338 I340 I349 Q355 T356 F358I244-L347 HydrophobicContact CD1-CD2 3.69Å; I244-L347 HydrophobicContact CG2-CB 4.17Å; V257-L347 HydrophobicContact CG1-CD1 4.42Å; V257-L347 HydrophobicContact CG2-CD2 4.44Å; L333-L347 HydrophobicContact CD2-CD1 4.12Å; C338-L347 HydrophobicContact CB-CD1 4.06Å; I340-L347 HydrophobicContact CG1-CD1 3.73Å; L347-I349 HydrophobicContact CD2-CD1 4.08Å; L347-I349 HydrophobicContact CG-CD1 4.33Å; L347-Q355 WeakPolarHBondContact O-CA 3.44Å; L347-T356 HydrophobicContact CB-CG2 4.02Å; L347-T356 PolarHBondContact N-O 3.21Å; L347-T356 PolarHBondContact O-N 3.42Å; L347-F358 HydrophobicContact CB-CE1 3.97Å; L347-F358 HydrophobicContact CB-CZ 3.92Å; L347-F358 HydrophobicContact CD1-CZ 4.45Å
348V98.3Very high96.7Very high27 Ų2759 Ų5916%0.16432%0.324CS..EExtended strand (participates in β ladder)trans-94.4129.7173.7-172.10000109C338 S339 V346 Q355C338-V348 CarbonylContact C-O 3.47Å; C338-V348 WeakPolarHBondContact CA-O 3.26Å; S339-V348 PolarHBondContact N-O 3.37Å; S339-V348 PolarHBondContact O-N 3.39Å; V346-V348 HydrophobicContact CG2-CG2 4.01Å; V348-Q355 HydrophobicContact CB-CG 4.47Å; V348-Q355 HydrophobicContact CG1-CG 4.21Å; V348-Q355 HydrophobicContact CG2-CG 4.08Å
349I97.9Very high96.5Very high0 Ų058.2 Ų58.20%032%0.318CS..  trans-89.3106.5172-51-53.1000108.2I307 L312 H336 L347 T351 T352 G353 T354I307-I349 HydrophobicContact CD1-CD1 3.96Å; L312-I349 HydrophobicContact CD1-CD1 3.94Å; L312-I349 HydrophobicContact CD1-CG1 4.26Å; L312-I349 HydrophobicContact CD1-CG2 3.95Å; L312-I349 HydrophobicContact CD2-CG2 3.85Å; H336-I349 HydrophobicContact CB-CG2 4.24Å; L347-I349 HydrophobicContact CD2-CD1 4.08Å; L347-I349 HydrophobicContact CG-CD1 4.33Å; I349-T351 VanDerWaalsContact C-N 3.3Å; I349-T351 PolarHBondContact O-N 2.87Å; I349-T352 PolarHBondContact O-N 3.47Å; I349-G353 WeakPolarHBondContact O-CA 3.46Å; I349-G353 PolarHBondContact O-N 3.46Å; I349-T354 PolarHBondContact N-O 3.36Å
350G95.8Very high96.2Very high37 Ų3758.4 Ų58.438%0.38132%0.318SS..THydrogen-bonded Turntrans-64.2-32.1-170.700000114.3H336 Q337 T352H336-G350 PolarHBondContact O-N 3.36Å; Q337-G350 WeakPolarHBondContact O-CA 3.39Å; Q337-G350 PolarHBondContact O-N 3.16Å; G350-T352 VanDerWaalsContact C-N 3.29Å; G350-T352 PolarHBondContact O-N 3.13Å
351T94.8Very high95.6Very high74 Ų7461.4 Ų61.445%0.45433%0.331SS..THydrogen-bonded Turntrans-68.3-25.6-179.249.70000114.1H336 I349H336-T351 PolarHBondContact O-N 2.9Å; I349-T351 VanDerWaalsContact C-N 3.3Å; I349-T351 PolarHBondContact O-N 2.87Å
352T95.4Very high95.1Very high71 Ų7163 Ų6344%0.43636%0.355SS..THydrogen-bonded Turntrans-122.2-18.6-175.257.50000113.5D310 I349 G350 T354D310-T352 WeakPolarHBondContact OD2-CB 3.4Å; D310-T352 WeakPolarHBondContact OD2-CG2 3.25Å; D310-T352 PolarHBondContact OD2-OG1 3.39Å; I349-T352 PolarHBondContact O-N 3.47Å; G350-T352 VanDerWaalsContact C-N 3.29Å; G350-T352 PolarHBondContact O-N 3.13Å; T352-T354 PolarHBondContact O-N 2.99Å; T352-T354 PolarHBondContact OG1-N 3.46Å; T352-T354 PolarHBondContact OG1-OG1 3.07Å
353G94.6Very high94.8Very high42 Ų4261.9 Ų61.943%0.43335%0.347SS..  trans79.1-0.8-172.900000114.1I349I349-G353 WeakPolarHBondContact O-CA 3.46Å; I349-G353 PolarHBondContact O-N 3.46Å
354T97.1Very high94.5Very high33 Ų3352.9 Ų52.920%0.20231%0.308CS..  trans-63.1141.7178.2-68.70000110.7E308 D310 I349 T352E308-T354 HydrophobicContact CB-CG2 3.94Å; E308-T354 HydrophobicContact CG-CG2 4.05Å; D310-T354 VanDerWaalsContact CG-OG1 3.31Å; D310-T354 WeakPolarHBondContact OD2-CB 3.38Å; D310-T354 PolarHBondContact OD2-OG1 3.32Å; I349-T354 PolarHBondContact N-O 3.36Å; T352-T354 PolarHBondContact O-N 2.99Å; T352-T354 PolarHBondContact OG1-N 3.46Å; T352-T354 PolarHBondContact OG1-OG1 3.07Å
355Q97.6Very high94Very high100 Ų10048.3 Ų48.347%0.46729%0.291SS..EExtended strand (participates in β ladder)trans-122.9138-179.9-56.4-178.524.800108.7L347 V348L347-Q355 WeakPolarHBondContact O-CA 3.44Å; V348-Q355 HydrophobicContact CB-CG 4.47Å; V348-Q355 HydrophobicContact CG1-CG 4.21Å; V348-Q355 HydrophobicContact CG2-CG 4.08Å
356T97.6Very high93Very high3 Ų350.6 Ų50.62%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-128.1140.2171-170.50000109I244 I307 E308 V346 L347I244-T356 HydrophobicContact CB-CG2 3.92Å; I244-T356 HydrophobicContact CD1-CG2 3.94Å; I244-T356 HydrophobicContact CG2-CG2 3.77Å; I307-T356 HydrophobicContact CG2-CG2 3.63Å; E308-T356 WeakPolarHBondContact OE1-CB 3.33Å; E308-T356 PolarHBondContact OE1-OG1 3.39Å; V346-T356 CarbonylContact C-O 3.6Å; V346-T356 VanDerWaalsContact CA-O 3.25Å; V346-T356 WeakPolarHBondContact CA-O 3.24Å; V346-T356 WeakPolarHBondContact CB-O 3.43Å; L347-T356 HydrophobicContact CB-CG2 4.02Å; L347-T356 PolarHBondContact N-O 3.21Å; L347-T356 PolarHBondContact O-N 3.42Å
357H97.3Very high91.7Very high131 Ų13152.4 Ų52.461%0.60632%0.315SS*.EExtended strand (participates in β ladder)trans-76.3142.9-178.7-76.8-78.8000111.3V346V346-H357 VanDerWaalsContact CG1-CE1 3.5Å; V346-H357 WeakPolarHBondContact CG1-CE1 3.24Å; V346-H357 VanDerWaalsContact CG1-ND1 3.33Å; V346-H357 WeakPolarHBondContact CG1-ND1 3.29Å
358F97.3Very high90.2Very high9 Ų952.8 Ų52.84%0.03932%0.318CS..PPolyproline II helixtrans-67.2142.5166.3-65.5-59.9000110.2L242 Y243 I244 V257 I340 L342 N345 V346 L347L242-F358 HydrophobicContact CB-CD1 3.95Å; L242-F358 HydrophobicContact CB-CE1 3.94Å; L242-F358 HydrophobicContact CD1-CE1 4.45Å; L242-F358 HydrophobicContact CD1-CZ 4.28Å; L242-F358 HydrophobicContact CD2-CD1 4.25Å; L242-F358 HydrophobicContact CD2-CD2 4.03Å; L242-F358 HydrophobicContact CD2-CE1 4.47Å; L242-F358 HydrophobicContact CD2-CE2 4.26Å; L242-F358 HydrophobicContact CD2-CG 4.05Å; L242-F358 HydrophobicContact CD2-CZ 4.49Å; Y243-F358 CarbonylContact O-C 3.53Å; Y243-F358 VanDerWaalsContact O-CA 3.24Å; Y243-F358 WeakPolarHBondContact O-CA 3.27Å; I244-F358 HydrophobicContact CG2-CD1 3.58Å; I244-F358 HydrophobicContact CG2-CE1 3.79Å; V257-F358 HydrophobicContact CB-CE1 4.4Å; V257-F358 HydrophobicContact CG2-CE1 4.17Å; I340-F358 HydrophobicContact CG2-CE2 4.19Å; I340-F358 HydrophobicContact CG2-CZ 3.91Å; L342-F358 HydrophobicContact CD2-CE2 4.35Å; N345-F358 VanDerWaalsContact C-CD2 3.43Å; N345-F358 PolarHBondContact O-N 3.07Å; N345-F358 WeakPolarHBondContact OD1-CD2 3.21Å; V346-F358 WeakPolarHBondContact O-CE2 3.19Å; L347-F358 HydrophobicContact CB-CE1 3.97Å; L347-F358 HydrophobicContact CB-CZ 3.92Å; L347-F358 HydrophobicContact CD1-CZ 4.45Å
359L93.9Very high88.6Confident13 Ų1357.3 Ų57.37%0.06833%0.333CS..PPolyproline II helixtrans-67.6139.7-178.1-61.1-173.1000111.2Y243 N245 K254 E363 L364Y243-L359 WeakPolarHBondContact O-CG 3.33Å; Y243-L359 PolarHBondContact O-N 3.37Å; N245-L359 WeakPolarHBondContact ND2-CD2 3.28Å; K254-L359 HydrophobicContact CB-CD1 4.27Å; K254-L359 HydrophobicContact CD-CD1 3.64Å; K254-L359 HydrophobicContact CG-CD1 3.8Å; L359-E363 HydrophobicContact CB-CB 4.31Å; L359-L364 HydrophobicContact CB-CD2 4.1Å
360P91.2Very high86.5Confident71 Ų7163 Ų6346%0.46136%0.363SS..PPolyproline II helixtrans-69.4160169.631.5-35.3000110.7G362 E363P360-G362 VanDerWaalsContact C-N 3.27Å; P360-G362 PolarHBondContact O-N 3.11Å; P360-G362 VanDerWaalsContact O-N 3.16Å; P360-E363 HydrophobicContact CG-CB 4.15Å; P360-E363 HydrophobicContact CG-CG 3.94Å; P360-E363 PolarHBondContact O-N 3.05Å
361E86.4Confident84.3Confident120 Ų12066.7 Ų66.756%0.56138%0.377SS*.G310 helixtrans-52.4-41.2-176.6-167.8-170.2160.900113.7E363 L364E361-E363 PolarHBondContact O-N 3.49Å; E361-E363 VanDerWaalsContact O-N 3.15Å; E361-L364 HydrophobicContact CG-CD1 4.49Å; E361-L364 WeakPolarHBondContact O-CB 3.46Å; E361-L364 PolarHBondContact O-N 3.33Å; E361-L364 VanDerWaalsContact O-N 3.08Å
362G86.3Confident82Confident68 Ų6865 Ų6570%0.70137%0.369SS*.G310 helixtrans-63.8-19.1179.100000114.5P360P360-G362 VanDerWaalsContact C-N 3.27Å; P360-G362 PolarHBondContact O-N 3.11Å; P360-G362 VanDerWaalsContact O-N 3.16Å
363E88Confident79.2Confident93 Ų9363.8 Ų63.844%0.43537%0.37SS..G310 helixtrans-100.82.1177.9-67.8-176.3-148.700112.9K254 L359 P360 E361K254-E363 WeakPolarHBondContact CE-O 3.31Å; K254-E363 PolarHBondContact NZ-O 3.25Å; L359-E363 HydrophobicContact CB-CB 4.31Å; P360-E363 HydrophobicContact CG-CB 4.15Å; P360-E363 HydrophobicContact CG-CG 3.94Å; P360-E363 PolarHBondContact O-N 3.05Å; E361-E363 PolarHBondContact O-N 3.49Å; E361-E363 VanDerWaalsContact O-N 3.15Å
364L88.2Confident76.4Confident12 Ų1267.8 Ų67.86%0.06339%0.386CS..SBendtrans-71.2147.1178.3-64.3-177.8000112.1A240 Y243 L359 E361 A368 R369A240-L364 HydrophobicContact CB-CD1 4.2Å; Y243-L364 HydrophobicContact CD2-CD2 3.52Å; Y243-L364 HydrophobicContact CE2-CD2 4.34Å; Y243-L364 HydrophobicContact CG-CD2 3.89Å; L359-L364 HydrophobicContact CB-CD2 4.1Å; E361-L364 HydrophobicContact CG-CD1 4.49Å; E361-L364 WeakPolarHBondContact O-CB 3.46Å; E361-L364 PolarHBondContact O-N 3.33Å; E361-L364 VanDerWaalsContact O-N 3.08Å; L364-A368 HydrophobicContact CB-CB 4.16Å; L364-R369 HydrophobicContact CB-CG 4.07Å; L364-R369 WeakPolarHBondContact O-CD 3.34Å
365P83.8Confident73.5Confident31 Ų3172.7 Ų72.720%0.20142%0.416CS..  trans-56.3150.8170.4-22.933.7000112Y243 K254 C367 A368 R369Y243-P365 HydrophobicContact CD1-CG 4.11Å; Y243-P365 HydrophobicContact CE1-CG 3.74Å; K254-P365 HydrophobicContact CB-CG 4.23Å; K254-P365 HydrophobicContact CD-CG 4.06Å; P365-C367 PolarHBondContact O-N 3.47Å; P365-C367 VanDerWaalsContact O-N 3.15Å; P365-A368 WeakPolarHBondContact O-CB 3.18Å; P365-A368 PolarHBondContact O-N 3.12Å; P365-R369 PolarHBondContact O-N 2.92Å; P365-R369 VanDerWaalsContact O-N 3.13Å
366L75.4Confident70.4Confident124 Ų12476.3 Ų76.365%0.64943%0.433SS*.Hα-helixtrans-55-36.7-178.7-70.5171.5000113.1A368 R369 L370L366-A368 VanDerWaalsContact C-N 3.27Å; L366-A368 PolarHBondContact O-N 2.99Å; L366-R369 PolarHBondContact O-N 2.69Å; L366-R369 VanDerWaalsContact O-N 3.13Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 3.02Å
367C70.9Confident67.3Low40 Ų4084.5 Ų84.527%0.2747%0.471SS..Hα-helixtrans-63.2-31.4176.857.10000113.3P323 P365P323-C367 HydrophobicContact CB-CB 3.92Å; P323-C367 PolarHBondContact O-SG 2.9Å; P365-C367 PolarHBondContact O-N 3.47Å; P365-C367 VanDerWaalsContact O-N 3.15Å
368A67Low64Low9 Ų986.2 Ų86.27%0.07448%0.484CS..Hα-helixtrans-80.6-25.5174.500000112.4Y243 L364 P365 L366Y243-A368 HydrophobicContact CE2-CB 3.72Å; L364-A368 HydrophobicContact CB-CB 4.16Å; P365-A368 WeakPolarHBondContact O-CB 3.18Å; P365-A368 PolarHBondContact O-N 3.12Å; L366-A368 VanDerWaalsContact C-N 3.27Å; L366-A368 PolarHBondContact O-N 2.99Å
369R64.8Low61.2Low123 Ų12390.5 Ų90.546%0.46452%0.516SS..Hα-helixtrans-80.6-22.2175-64.817860.5-171.6-1.9113.6L364 P365 L366 S372L364-R369 HydrophobicContact CB-CG 4.07Å; L364-R369 WeakPolarHBondContact O-CD 3.34Å; P365-R369 PolarHBondContact O-N 2.92Å; P365-R369 VanDerWaalsContact O-N 3.13Å; L366-R369 PolarHBondContact O-N 2.69Å; L366-R369 VanDerWaalsContact O-N 3.13Å; R369-S372 WeakPolarHBondContact O-CB 3.5Å; R369-S372 PolarHBondContact O-N 2.66Å; R369-S372 PolarHBondContact O-OG 3.08Å
370L53.9Low58.2Low120 Ų12093.9 Ų93.963%0.62854%0.54SS*.Hα-helixtrans-81.8-24.8-177.7-77.3165.7000113.3L366 S372 G373L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 3.02Å; L370-S372 PolarHBondContact O-N 3.32Å; L370-G373 PolarHBondContact O-N 3.5Å
371V49.2Very low55.6Low114 Ų11498.7 Ų98.769%0.69156%0.562SS**THydrogen-bonded Turntrans-59.9-23.6165-171.60000110.1
372S45.6Very low53Low39 Ų39101.6 Ų101.627%0.27357%0.573SS.*THydrogen-bonded Turntrans-79.9-10.4176.8-44.10000114.8Q238 R369 L370Q238-S372 VanDerWaalsContact CD-CA 3.41Å; Q238-S372 VanDerWaalsContact NE2-C 3.35Å; Q238-S372 PolarHBondContact NE2-O 3.39Å; Q238-S372 VanDerWaalsContact OE1-C 3.3Å; Q238-S372 PolarHBondContact OE1-O 3.23Å; R369-S372 WeakPolarHBondContact O-CB 3.5Å; R369-S372 PolarHBondContact O-N 2.66Å; R369-S372 PolarHBondContact O-OG 3.08Å; L370-S372 PolarHBondContact O-N 3.32Å
373G37.9Very low50.4Low45 Ų45107.3 Ų107.346%0.46458%0.581SS.*  trans-104.9-9.7-166.500000117.6L370 V375L370-G373 PolarHBondContact O-N 3.5Å; G373-V375 VanDerWaalsContact C-N 3.32Å; G373-V375 PolarHBondContact O-N 3.36Å
374T35.6Very low47.6Very low126 Ų126109.5 Ų109.577%0.77360%0.601SS**  trans-94.144.3-169.957.60000114.2
375V35.1Very low45Very low136 Ų136114.8 Ų114.882%0.82464%0.636SS**  trans-130.660.1155.8-167.10000107.4G373G373-V375 VanDerWaalsContact C-N 3.32Å; G373-V375 PolarHBondContact O-N 3.36Å
376Q32.1Very low42.3Very low175 Ų175116.4 Ų116.482%0.81866%0.658SS**SBendtrans-127.1114.9160-142.7169.820.900106D378Q376-D378 PolarHBondContact O-N 3.36Å; Q376-D378 VanDerWaalsContact O-N 3.12Å
377E32.5Very low40.1Very low176 Ų176117.7 Ų117.782%0.82267%0.666SS**  trans-44.9113.1-178.8-63173.6145.800111S379E377-S379 PolarHBondContact O-N 3.38Å
378D28.8Very low38.2Very low166 Ų166123 Ų12389%0.88869%0.689SS**  trans-69.875.4158.1-92.3-29.6000107.9Q376Q376-D378 PolarHBondContact O-N 3.36Å; Q376-D378 VanDerWaalsContact O-N 3.12Å
379S38.4Very low36.6Very low100 Ų100128.4 Ų128.470%0.69972%0.716SS**  trans-98.576.9156.258.10000108E377E377-S379 PolarHBondContact O-N 3.38Å
380S31.2Very low34.9Very low83 Ų83131.5 Ų131.558%0.5873%0.733SS**  trans-13190.9155.865.90000109.5K382S380-K382 PolarHBondContact O-N 3.28Å
381D35.8Very low33.9Very low173 Ų173133.5 Ų133.593%0.92574%0.739SS**  trans-50.4104.8154-82.1-39000108.1
382K32.9Very low33Very low181 Ų181134 Ų13479%0.78774%0.744SS**  trans-108.1104.9160-80.9-170.4176.9176.60108.3S380 V384S380-K382 PolarHBondContact O-N 3.28Å; K382-V384 PolarHBondContact O-N 3.05Å
383E30.6Very low32.4Very low187 Ų187138.7 Ų138.787%0.87477%0.771SS**  trans-39.5132.6164.9-66.8-179.5137.400111.7P385E383-P385 WeakPolarHBondContact O-CD 3.49Å
384V30.6Very low32.1Very low139 Ų139146.2 Ų146.284%0.84279%0.791SS**  trans-79.6124.7171.31760000109.1K382K382-V384 PolarHBondContact O-N 3.05Å
385P32.3Very low31.9Very low123 Ų123143.4 Ų143.480%0.79979%0.787SS**  trans-101.2110.5158.725.5-9.8000110.6E383E383-P385 WeakPolarHBondContact O-CD 3.49Å
386G28.4Very low32.1Very low65 Ų65143.2 Ų143.267%0.6779%0.789SS**  trans39.9109135.400000120.5
387N29.3Very low32.2Very low152 Ų152138.3 Ų138.381%0.81379%0.785SS**  trans2.1115.5140.9-80.3-22.6000117.9
388I30.6Very low32.3Very low150 Ų150140.7 Ų140.777%0.76979%0.786SS**  trans-130.5103.9141.9-63.6-178000108.9K390I388-K390 HydrophobicContact CG2-CG 4.35Å; I388-K390 PolarHBondContact O-N 3.33Å
389I32.3Very low32.6Very low123 Ų123139.8 Ų139.863%0.63177%0.774SS**  trans-67.4121.6168.8-63.8164.2000108.2
390K30.6Very low32.5Very low189 Ų189142.7 Ų142.782%0.82278%0.777SS**  trans-123.2106159.2-76.5-173.2179.8178.20109.5I388I388-K390 HydrophobicContact CG2-CG 4.35Å; I388-K390 PolarHBondContact O-N 3.33Å
391H31.8Very low32.9Very low162 Ų162150.5 Ų150.575%0.7580%0.804SS**  trans-58.9142.2170.2-71.5-83.3000111.9
392P30.5Very low32.7Very low123 Ų123149.4 Ų149.480%0.79980%0.798SS**  trans-86.1117.6158.330.9-23.8000109.3K394P392-K394 PolarHBondContact O-N 2.86Å
393V32.7Very low32.7Very low139 Ų139147.7 Ų147.784%0.84280%0.798SS**  trans-66.2114.3173.9172.80000109.3
394K31.7Very low32.8Very low203 Ų203145.5 Ų145.588%0.88379%0.794SS**PPolyproline II helixtrans-73117.2160.8-80.9177.1172.6176.20108.6P392P392-K394 PolarHBondContact O-N 2.86Å
395G32.5Very low33Very low67 Ų67145.9 Ų145.969%0.69179%0.791SS**PPolyproline II helixtrans-77.1139163.700000111
396P38.9Very low33Very low132 Ų132147.3 Ų147.386%0.85779%0.791SS**PPolyproline II helixtrans-85.7147.6176.435-31.9000111.1
397G34.3Very low33.3Very low72 Ų72152.8 Ų152.874%0.74280%0.799SS**  trans-89.1-167.9-179.300000115.8
398R34.7Very low33.6Very low225 Ų225152.9 Ų152.985%0.84980%0.798SS**  trans84.8140.2174.7-72.6-178.5161.6172-1.6114
399K34.3Very low33.8Very low147 Ų147153.1 Ų153.164%0.63980%0.8SS**  cis-173.9166.216.3-124.8175.4-175-172.60108.7
400Q37.1Very low34Very low162 Ų162155.6 Ų155.676%0.75781%0.814SS**  trans72.9133159-66.7164.6100115.4
401H38.5Very low34.3Very low246 Ų246152.5 Ų152.5100%1.13981%0.813SS**  cis-143.9023.8-113.5-72000111.3

Retrieved 401 of 401 residues in 409.2 ms (Link to these results)

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