A0A096MZA8_PAPAN Loading...

DNA damage inducible 1 homolog 1

AlphaFold DB , UniProt , Accession A0A096MZA8, Species PAPAN (Papio anubis, Olive baboon), Gene DDI1, Length 397 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
1M92.5Very high90.8Very high22 Ų2247.7 Ų47.711%0.10822%0.224CC..  0130.6062.4-171.2-163.800109I3 V21 P23 L61 L66 D68M1-I3 HydrophobicContact CB-CD1 4.46Å; M1-I3 HydrophobicContact CE-CD1 3.98Å; M1-I3 HydrophobicContact CE-CG1 4.09Å; M1-I3 HydrophobicContact CG-CD1 4Å; M1-I3 HydrophobicContact CG-CG1 4.14Å; M1-I3 HydrophobicContact SD-CD1 4.09Å; M1-V21 HydrophobicContact CE-CG2 4.03Å; M1-V21 HydrophobicContact CG-CG2 3.98Å; M1-V21 PolarHBondContact N-O 3.07Å; M1-V21 PolarHBondContact O-N 2.83Å; M1-P23 HydrophobicContact SD-CB 4.14Å; M1-P23 HydrophobicContact SD-CG 4.01Å; M1-L61 HydrophobicContact CE-CB 3.39Å; M1-L61 HydrophobicContact CE-CD1 3.79Å; M1-L61 HydrophobicContact CE-CG 4.27Å; M1-L66 HydrophobicContact CE-CB 3.96Å; M1-D68 WeakPolarHBondContact CA-OD1 3.38Å; M1-D68 HydrophobicContact CB-CB 4.13Å
2L92.8Very high89.9Confident72 Ų7255.6 Ų55.638%0.37727%0.267SS..EExtended strand (participates in β ladder)trans-84.8113.7172.1-172.964.9000108.3Q20 D68 G69L2-Q20 VanDerWaalsContact CA-OE1 3.29Å; L2-D68 PolarHBondContact N-OD1 3.07Å; L2-G69 WeakPolarHBondContact O-CA 3.4Å; L2-G69 PolarHBondContact O-N 2.86Å
3I94.2Very high89.4Confident0 Ų053.9 Ų53.90%027%0.265CS..EExtended strand (participates in β ladder)trans-106.1131.3175.5-55.3-57.8000108.5M1 S18 L19 V21 F30 L66 K67 D70 V72M1-I3 HydrophobicContact CB-CD1 4.46Å; M1-I3 HydrophobicContact CE-CD1 3.98Å; M1-I3 HydrophobicContact CE-CG1 4.09Å; M1-I3 HydrophobicContact CG-CD1 4Å; M1-I3 HydrophobicContact CG-CG1 4.14Å; M1-I3 HydrophobicContact SD-CD1 4.09Å; I3-S18 CarbonylContact O-C 3.58Å; I3-S18 VanDerWaalsContact O-CA 3.29Å; I3-S18 WeakPolarHBondContact O-CA 3.16Å; I3-L19 PolarHBondContact N-O 2.97Å; I3-L19 PolarHBondContact O-N 3.43Å; I3-V21 HydrophobicContact CG1-CG2 3.91Å; I3-F30 HydrophobicContact CB-CE2 4.42Å; I3-F30 HydrophobicContact CB-CZ 4.2Å; I3-F30 HydrophobicContact CG2-CE2 4.47Å; I3-F30 HydrophobicContact CG2-CZ 3.77Å; I3-L66 HydrophobicContact CD1-CB 4.21Å; I3-L66 HydrophobicContact CD1-CD2 4.1Å; I3-L66 HydrophobicContact CG1-CD2 4.37Å; I3-L66 HydrophobicContact CG2-CD2 4.28Å; I3-K67 WeakPolarHBondContact CD1-O 3.33Å; I3-D70 HydrophobicContact CD1-CB 4.3Å; I3-V72 HydrophobicContact CG2-CG1 4.14Å; I3-V72 HydrophobicContact CG2-CG2 3.87Å
4T93.4Very high89.3Confident34 Ų3458.6 Ų58.621%0.20929%0.286CS..EExtended strand (participates in β ladder)trans-97.9129.7173.3-61.70000110T16 S18 D70 V71 V72T4-T16 HydrophobicContact CG2-CG2 3.64Å; T4-S18 PolarHBondContact OG1-OG 3.07Å; T4-D70 PolarHBondContact N-O 2.62Å; T4-V71 CarbonylContact O-C 3.59Å; T4-V71 VanDerWaalsContact O-CA 3.32Å; T4-V71 WeakPolarHBondContact O-CA 3.44Å; T4-V72 PolarHBondContact O-N 2.91Å
5V95Very high89.1Confident0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans-109.7117.3-175.7-1750000108.8T16 F17 L19 F30 V72 L74V5-T16 WeakPolarHBondContact O-CA 3.43Å; V5-F17 HydrophobicContact CB-CD1 4.5Å; V5-F17 HydrophobicContact CB-CD2 4.05Å; V5-F17 HydrophobicContact CB-CE1 4.13Å; V5-F17 HydrophobicContact CB-CE2 3.64Å; V5-F17 HydrophobicContact CB-CG 4.47Å; V5-F17 HydrophobicContact CB-CZ 3.69Å; V5-F17 HydrophobicContact CG1-CE1 4Å; V5-F17 HydrophobicContact CG1-CE2 3.98Å; V5-F17 HydrophobicContact CG1-CZ 3.54Å; V5-F17 HydrophobicContact CG2-CD2 4.27Å; V5-F17 HydrophobicContact CG2-CE2 3.77Å; V5-F17 HydrophobicContact CG2-CZ 4.23Å; V5-F17 PolarHBondContact N-O 2.9Å; V5-F17 PolarHBondContact O-N 2.87Å; V5-L19 HydrophobicContact CG2-CD1 4.39Å; V5-F30 HydrophobicContact CG2-CZ 3.86Å; V5-V72 WeakPolarHBondContact CA-O 3.29Å; V5-V72 HydrophobicContact CB-CG2 4.31Å; V5-V72 HydrophobicContact CG1-CG2 4.32Å; V5-V72 HydrophobicContact CG2-CG2 3.89Å; V5-L74 HydrophobicContact CG1-CB 3.64Å; V5-L74 HydrophobicContact CG1-CD1 3.83Å; V5-L74 HydrophobicContact CG1-CG 4.39Å
6Y94.7Very high89.3Confident83 Ų8358.4 Ų58.433%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-94.2100.4171.2-169.6-93.1000109.1V8 E14 T16 V72 V73 L74Y6-V8 HydrophobicContact CD1-CG2 3.86Å; Y6-V8 HydrophobicContact CE1-CG2 3.59Å; Y6-E14 PolarHBondContact OH-OE1 2.59Å; Y6-E14 PolarHBondContact OH-OE2 3.41Å; Y6-T16 WeakPolarHBondContact CD2-OG1 3.45Å; Y6-V72 PolarHBondContact N-O 3Å; Y6-V73 CarbonylContact O-C 3.58Å; Y6-V73 WeakPolarHBondContact O-CA 3.09Å; Y6-L74 PolarHBondContact O-N 2.58Å
7C92.3Very high89.5Confident0 Ų056.4 Ų56.40%029%0.286CS..EExtended strand (participates in β ladder)trans-92.2125.6-178.71730000111.4E14 A15 F17 L74C7-E14 CarbonylContact O-C 3.57Å; C7-E14 VanDerWaalsContact O-CA 3.28Å; C7-E14 WeakPolarHBondContact O-CA 3.08Å; C7-A15 WeakPolarHBondContact CA-O 3.11Å; C7-A15 HydrophobicContact CB-CB 4.28Å; C7-A15 WeakPolarHBondContact CB-O 3.44Å; C7-A15 PolarHBondContact N-O 2.83Å; C7-A15 PolarHBondContact O-N 2.78Å; C7-F17 HydrophobicContact CB-CE1 4.05Å; C7-L74 WeakPolarHBondContact CA-O 3.44Å; C7-L74 HydrophobicContact CB-CB 4.21Å; C7-L74 HydrophobicContact CB-CD1 4.15Å; C7-L74 HydrophobicContact CB-CD2 4.35Å; C7-L74 HydrophobicContact CB-CG 4.47Å
8V88.7Confident89.7Confident31 Ų3157 Ų5719%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-113.1118.8167.6-1720000108.4Y6 L74 L75 Q76Y6-V8 HydrophobicContact CD1-CG2 3.86Å; Y6-V8 HydrophobicContact CE1-CG2 3.59Å; V8-L74 PolarHBondContact N-O 2.79Å; V8-L75 HydrophobicContact CB-CD2 3.96Å; V8-L75 HydrophobicContact CG2-CD2 4.25Å; V8-Q76 PolarHBondContact O-N 3.37Å
9R87.5Confident89.9Confident64 Ų6454.9 Ų54.924%0.24229%0.285CS..  trans-89.3167.1176.7-60.6-164-166.1921.8111.9D11 L12 S13 S38 V40R9-D11 VanDerWaalsContact CB-OD1 3.22Å; R9-D11 WeakPolarHBondContact CB-OD1 3.5Å; R9-D11 PolarHBondContact O-N 2.83Å; R9-L12 WeakPolarHBondContact O-CA 3.49Å; R9-L12 PolarHBondContact O-N 3.36Å; R9-S13 WeakPolarHBondContact CD-OG 3.43Å; R9-S13 PolarHBondContact N-O 3.11Å; R9-S13 PolarHBondContact NH1-OG 3.25Å; R9-S38 VanDerWaalsContact CZ-O 3.3Å; R9-S38 PolarHBondContact NE-O 3.35Å; R9-S38 PolarHBondContact NH2-O 3.46Å; R9-V40 HydrophobicContact CG-CG2 3.93Å
10R84Confident90Very high101 Ų10159 Ų5938%0.38130%0.303SS..THydrogen-bonded Turntrans-57-30.4177.6-75175.4-178.4131.10.1114.7L12 E44 Q76 K77 D78R10-L12 PolarHBondContact O-N 3.43Å; R10-E44 IonicContact CZ-OE1 3.79Å; R10-E44 IonicContact CZ-OE2 3.06Å; R10-E44 VanDerWaalsContact NH1-CD 3.32Å; R10-E44 IonicContact NH1-OE1 2.86Å; R10-E44 PolarHBondContact NH1-OE1 2.82Å; R10-E44 IonicContact NH1-OE2 3.78Å; R10-E44 PolarHBondContact NH1-OE2 3.4Å; R10-E44 IonicContact NH2-OE1 2.73Å; R10-E44 PolarHBondContact NH2-OE1 3.05Å; R10-E44 IonicContact NH2-OE2 2.73Å; R10-E44 PolarHBondContact NH2-OE2 3.26Å; R10-Q76 HydrophobicContact CG-CB 4.27Å; R10-Q76 HydrophobicContact CG-CG 3.84Å; R10-K77 PolarHBondContact NH2-O 2.62Å; R10-D78 WeakPolarHBondContact CD-OD1 3.31Å; R10-D78 IonicContact CZ-OD1 3.28Å; R10-D78 IonicContact NE-OD1 3.66Å; R10-D78 PolarHBondContact NE-OD1 2.79Å
11D83.4Confident90.2Very high118 Ų11856.7 Ų56.763%0.63129%0.292SS*.THydrogen-bonded Turntrans-831117866.3-18.3000113R9 S13R9-D11 VanDerWaalsContact CB-OD1 3.22Å; R9-D11 WeakPolarHBondContact CB-OD1 3.5Å; R9-D11 PolarHBondContact O-N 2.83Å; D11-S13 VanDerWaalsContact CG-OG 3.26Å; D11-S13 PolarHBondContact O-N 3.33Å; D11-S13 WeakPolarHBondContact OD1-CB 3.24Å; D11-S13 PolarHBondContact OD1-N 2.97Å; D11-S13 PolarHBondContact OD1-OG 2.91Å; D11-S13 PolarHBondContact OD2-OG 2.9Å
12L80.6Confident90.2Very high142 Ų14258.2 Ų58.274%0.74331%0.305SS*.SBendtrans5818.1-170.7-51.4178.1000113.3R9 R10R9-L12 WeakPolarHBondContact O-CA 3.49Å; R9-L12 PolarHBondContact O-N 3.36Å; R10-L12 PolarHBondContact O-N 3.43Å
13S83.2Confident90Very high34 Ų3457.7 Ų57.724%0.23831%0.305CS..  trans-75.8130169.170.50000110.3R9 D11R9-S13 WeakPolarHBondContact CD-OG 3.43Å; R9-S13 PolarHBondContact N-O 3.11Å; R9-S13 PolarHBondContact NH1-OG 3.25Å; D11-S13 VanDerWaalsContact CG-OG 3.26Å; D11-S13 PolarHBondContact O-N 3.33Å; D11-S13 WeakPolarHBondContact OD1-CB 3.24Å; D11-S13 PolarHBondContact OD1-N 2.97Å; D11-S13 PolarHBondContact OD1-OG 2.91Å; D11-S13 PolarHBondContact OD2-OG 2.9Å
14E88.3Confident89.9Confident119 Ų11963.7 Ų63.756%0.55634%0.338SS*.EExtended strand (participates in β ladder)trans-103.7145.4-176.9-58.2-175.8127.400110.8Y6 C7Y6-E14 PolarHBondContact OH-OE1 2.59Å; Y6-E14 PolarHBondContact OH-OE2 3.41Å; C7-E14 CarbonylContact O-C 3.57Å; C7-E14 VanDerWaalsContact O-CA 3.28Å; C7-E14 WeakPolarHBondContact O-CA 3.08Å
15A86.7Confident89.8Confident24 Ų2465 Ų6520%0.19834%0.34CS..EExtended strand (participates in β ladder)trans-143.6134174.700000110C7C7-A15 WeakPolarHBondContact CA-O 3.11Å; C7-A15 HydrophobicContact CB-CB 4.28Å; C7-A15 WeakPolarHBondContact CB-O 3.44Å; C7-A15 PolarHBondContact N-O 2.83Å; C7-A15 PolarHBondContact O-N 2.78Å
16T92.3Very high89.8Confident91 Ų9167.3 Ų67.356%0.55835%0.351SS*.EExtended strand (participates in β ladder)trans-118.3128.5173.7-58.80000109.9T4 V5 Y6T4-T16 HydrophobicContact CG2-CG2 3.64Å; V5-T16 WeakPolarHBondContact O-CA 3.43Å; Y6-T16 WeakPolarHBondContact CD2-OG1 3.45Å
17F92.4Very high89.7Confident24 Ų2463.4 Ų63.411%0.10534%0.336CS..EExtended strand (participates in β ladder)trans-144.1159.7177.956.4-87.7000110.1V5 C7 L19 C34 E37 L74V5-F17 HydrophobicContact CB-CD1 4.5Å; V5-F17 HydrophobicContact CB-CD2 4.05Å; V5-F17 HydrophobicContact CB-CE1 4.13Å; V5-F17 HydrophobicContact CB-CE2 3.64Å; V5-F17 HydrophobicContact CB-CG 4.47Å; V5-F17 HydrophobicContact CB-CZ 3.69Å; V5-F17 HydrophobicContact CG1-CE1 4Å; V5-F17 HydrophobicContact CG1-CE2 3.98Å; V5-F17 HydrophobicContact CG1-CZ 3.54Å; V5-F17 HydrophobicContact CG2-CD2 4.27Å; V5-F17 HydrophobicContact CG2-CE2 3.77Å; V5-F17 HydrophobicContact CG2-CZ 4.23Å; V5-F17 PolarHBondContact N-O 2.9Å; V5-F17 PolarHBondContact O-N 2.87Å; C7-F17 HydrophobicContact CB-CE1 4.05Å; F17-L19 HydrophobicContact CD2-CD1 4.43Å; F17-L19 HydrophobicContact CD2-CD2 4.27Å; F17-L19 HydrophobicContact CD2-CG 4.02Å; F17-L19 HydrophobicContact CE2-CD1 3.96Å; F17-L19 HydrophobicContact CE2-CD2 4.47Å; F17-L19 HydrophobicContact CE2-CG 4.06Å; F17-C34 HydrophobicContact CE2-CB 4.47Å; F17-C34 HydrophobicContact CZ-CB 4.23Å; F17-E37 HydrophobicContact CB-CB 4.42Å; F17-E37 HydrophobicContact CD1-CB 3.98Å; F17-E37 HydrophobicContact CD2-CB 3.57Å; F17-E37 HydrophobicContact CD2-CG 3.83Å; F17-E37 HydrophobicContact CE1-CB 4.08Å; F17-E37 HydrophobicContact CE2-CB 3.67Å; F17-E37 HydrophobicContact CE2-CG 4.14Å; F17-E37 HydrophobicContact CG-CB 3.73Å; F17-E37 HydrophobicContact CG-CG 4.28Å; F17-E37 HydrophobicContact CZ-CB 3.92Å; F17-L74 HydrophobicContact CZ-CD1 4.18Å
18S93.4Very high89.7Confident67 Ų6768.6 Ų68.647%0.46936%0.355SS..EExtended strand (participates in β ladder)trans-122.8131.2-179.1-53.10000111I3 T4I3-S18 CarbonylContact O-C 3.58Å; I3-S18 VanDerWaalsContact O-CA 3.29Å; I3-S18 WeakPolarHBondContact O-CA 3.16Å; T4-S18 PolarHBondContact OG1-OG 3.07Å
19L92.3Very high89.8Confident18 Ų1870 Ų709%0.09436%0.362CS..EExtended strand (participates in β ladder)trans-112.9129.4-178-65.9178.2000110.6I3 V5 F17 V21 F30 L33 E37I3-L19 PolarHBondContact N-O 2.97Å; I3-L19 PolarHBondContact O-N 3.43Å; V5-L19 HydrophobicContact CG2-CD1 4.39Å; F17-L19 HydrophobicContact CD2-CD1 4.43Å; F17-L19 HydrophobicContact CD2-CD2 4.27Å; F17-L19 HydrophobicContact CD2-CG 4.02Å; F17-L19 HydrophobicContact CE2-CD1 3.96Å; F17-L19 HydrophobicContact CE2-CD2 4.47Å; F17-L19 HydrophobicContact CE2-CG 4.06Å; L19-V21 HydrophobicContact CB-CG1 4.28Å; L19-F30 HydrophobicContact CB-CE2 4.19Å; L19-F30 HydrophobicContact CD1-CD2 4.1Å; L19-F30 HydrophobicContact CD1-CE2 3.63Å; L19-F30 HydrophobicContact CD1-CZ 4.35Å; L19-L33 HydrophobicContact CD1-CB 3.74Å; L19-L33 HydrophobicContact CD2-CB 4.42Å; L19-E37 HydrophobicContact CD2-CG 4.16Å
20Q92.4Very high90.2Very high135 Ų13567 Ų6763%0.63135%0.35SS*.EExtended strand (participates in β ladder)trans-90.8106.7173.2-172.367.811.400109.9L2L2-Q20 VanDerWaalsContact CA-OE1 3.29Å
21V93.4Very high90.7Very high12 Ų1263.3 Ų63.37%0.07334%0.337CS..  trans-127.9167.9-174.7-65.40000112.5M1 I3 L19 F25 F30 L33 L61M1-V21 HydrophobicContact CE-CG2 4.03Å; M1-V21 HydrophobicContact CG-CG2 3.98Å; M1-V21 PolarHBondContact N-O 3.07Å; M1-V21 PolarHBondContact O-N 2.83Å; I3-V21 HydrophobicContact CG1-CG2 3.91Å; L19-V21 HydrophobicContact CB-CG1 4.28Å; V21-F25 HydrophobicContact CB-CB 4.37Å; V21-F25 HydrophobicContact CB-CD1 4.23Å; V21-F25 HydrophobicContact CB-CG 4.34Å; V21-F25 HydrophobicContact CG1-CD1 4.09Å; V21-F25 HydrophobicContact CG1-CE1 4.21Å; V21-F30 HydrophobicContact CG1-CD2 4.13Å; V21-F30 HydrophobicContact CG1-CE2 4.35Å; V21-F30 HydrophobicContact CG2-CE2 4.42Å; V21-L33 HydrophobicContact CG1-CD1 3.79Å; V21-L61 HydrophobicContact CG2-CD1 3.86Å
22S92.4Very high91.1Very high54 Ų5461.8 Ų61.838%0.37833%0.332SS..  trans-81.3149.9170.5-166.80000110.9D24 F25S22-D24 PolarHBondContact O-N 2.89Å; S22-D24 PolarHBondContact OG-N 2.88Å; S22-F25 WeakPolarHBondContact O-CB 3.43Å; S22-F25 PolarHBondContact O-N 2.89Å; S22-F25 VanDerWaalsContact O-N 3.14Å
23P88.9Confident91.6Very high60 Ų6058.2 Ų58.239%0.3931%0.313SS..THydrogen-bonded Turntrans-56-34.5165.7-24.335.5000112.8M1 F25 G62M1-P23 HydrophobicContact SD-CB 4.14Å; M1-P23 HydrophobicContact SD-CG 4.01Å; P23-F25 PolarHBondContact O-N 3.14Å; P23-G62 PolarHBondContact O-N 2.75Å
24D91.6Very high92Very high127 Ų12756.6 Ų56.668%0.67930%0.302SS*.THydrogen-bonded Turntrans-79.22.6179.5-52-56.8000113.9S22S22-D24 PolarHBondContact O-N 2.89Å; S22-D24 PolarHBondContact OG-N 2.88Å
25F93.1Very high92.2Very high60 Ų6054.6 Ų54.626%0.26329%0.293SS..  trans-71.5130.3-177.8-155.4-113.3000110.5V21 S22 P23 N29 F30 L33 S60 L61V21-F25 HydrophobicContact CB-CB 4.37Å; V21-F25 HydrophobicContact CB-CD1 4.23Å; V21-F25 HydrophobicContact CB-CG 4.34Å; V21-F25 HydrophobicContact CG1-CD1 4.09Å; V21-F25 HydrophobicContact CG1-CE1 4.21Å; S22-F25 WeakPolarHBondContact O-CB 3.43Å; S22-F25 PolarHBondContact O-N 2.89Å; S22-F25 VanDerWaalsContact O-N 3.14Å; P23-F25 PolarHBondContact O-N 3.14Å; F25-N29 HydrophobicContact CD1-CB 4.15Å; F25-N29 VanDerWaalsContact CE1-C 3.46Å; F25-N29 HydrophobicContact CE1-CB 3.55Å; F25-N29 HydrophobicContact CE2-CB 4.2Å; F25-N29 HydrophobicContact CZ-CB 3.58Å; F25-F30 HydrophobicContact CD1-CB 4.15Å; F25-F30 HydrophobicContact CE1-CB 4.36Å; F25-L33 HydrophobicContact CE1-CD1 3.58Å; F25-L33 HydrophobicContact CE1-CG 4.24Å; F25-L33 HydrophobicContact CZ-CD1 3.74Å; F25-L33 HydrophobicContact CZ-CG 4.34Å; F25-S60 CarbonylContact O-C 3.57Å; F25-S60 WeakPolarHBondContact O-CA 3.48Å; F25-L61 HydrophobicContact CB-CD1 4.44Å; F25-L61 WeakPolarHBondContact O-CG 3.17Å; F25-L61 PolarHBondContact O-N 3.16Å
26E94.5Very high92.3Very high50 Ų5057 Ų5723%0.23431%0.313CS..BIsolated β-bridgetrans-72.4146-178.4-54.4171.3119.900112.2R28 N29 F30 C59E26-R28 VanDerWaalsContact C-N 3.3Å; E26-R28 HydrophobicContact CB-CG 4.09Å; E26-R28 VanDerWaalsContact CD-NE 3.33Å; E26-R28 PolarHBondContact O-N 2.93Å; E26-R28 IonicContact OE1-CZ 3.44Å; E26-R28 IonicContact OE1-NE 3.87Å; E26-R28 PolarHBondContact OE1-NE 3.21Å; E26-R28 IonicContact OE1-NH2 2.74Å; E26-R28 PolarHBondContact OE1-NH2 3.34Å; E26-R28 IonicContact OE2-CZ 2.6Å; E26-R28 VanDerWaalsContact OE2-CZ 3.25Å; E26-R28 IonicContact OE2-NE 3.32Å; E26-R28 PolarHBondContact OE2-NE 3.31Å; E26-R28 IonicContact OE2-NH2 3.25Å; E26-R28 PolarHBondContact OE2-NH2 3.2Å; E26-N29 PolarHBondContact O-N 3.05Å; E26-N29 VanDerWaalsContact O-N 3.08Å; E26-N29 PolarHBondContact OE2-ND2 3.12Å; E26-F30 PolarHBondContact O-N 3.2Å; E26-F30 VanDerWaalsContact O-N 3.12Å; E26-C59 WeakPolarHBondContact CA-O 3.28Å
27L92.6Very high92.1Very high0 Ų058 Ų580%031%0.311CS..Hα-helixtrans-53.5-41.6178.3-179.967.1000113.2N29 F30 K31 I47 L54 C59 L61 Y64L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.39Å; L27-F30 WeakPolarHBondContact O-CB 3.2Å; L27-F30 PolarHBondContact O-N 3.47Å; L27-K31 WeakPolarHBondContact O-CG 3.31Å; L27-K31 PolarHBondContact O-N 2.63Å; L27-I47 HydrophobicContact CD1-CD1 4.13Å; L27-L54 HydrophobicContact CD1-CB 3.85Å; L27-L54 HydrophobicContact CD1-CD1 3.98Å; L27-L54 HydrophobicContact CD2-CB 3.71Å; L27-L54 HydrophobicContact CG-CB 4.46Å; L27-C59 PolarHBondContact N-O 3Å; L27-L61 HydrophobicContact CD1-CD2 4.2Å; L27-Y64 HydrophobicContact CB-CE2 4.45Å; L27-Y64 HydrophobicContact CD2-CE2 4.08Å
28R92.2Very high91.9Very high109 Ų10956.9 Ų56.941%0.41131%0.306SS..Hα-helixtrans-57.6-42.1176.863-174.6175.2169.4-8.8113.4E26 F30 K31 V32 D57E26-R28 VanDerWaalsContact C-N 3.3Å; E26-R28 HydrophobicContact CB-CG 4.09Å; E26-R28 VanDerWaalsContact CD-NE 3.33Å; E26-R28 PolarHBondContact O-N 2.93Å; E26-R28 IonicContact OE1-CZ 3.44Å; E26-R28 IonicContact OE1-NE 3.87Å; E26-R28 PolarHBondContact OE1-NE 3.21Å; E26-R28 IonicContact OE1-NH2 2.74Å; E26-R28 PolarHBondContact OE1-NH2 3.34Å; E26-R28 IonicContact OE2-CZ 2.6Å; E26-R28 VanDerWaalsContact OE2-CZ 3.25Å; E26-R28 IonicContact OE2-NE 3.32Å; E26-R28 PolarHBondContact OE2-NE 3.31Å; E26-R28 IonicContact OE2-NH2 3.25Å; E26-R28 PolarHBondContact OE2-NH2 3.2Å; R28-F30 VanDerWaalsContact C-N 3.32Å; R28-K31 PolarHBondContact O-N 2.85Å; R28-V32 PolarHBondContact O-N 3.18Å; R28-D57 HydrophobicContact CB-CB 4.03Å; R28-D57 WeakPolarHBondContact CB-O 3.48Å; R28-D57 VanDerWaalsContact CG-O 3.29Å; R28-D57 WeakPolarHBondContact CG-O 3.29Å; R28-D57 PolarHBondContact N-O 3.33Å
29N91.5Very high91.7Very high61 Ų6164 Ų6433%0.32632%0.323SS..Hα-helixtrans-74.2-32.1-178.4-56.5-36.4000110.1F25 E26 L27 V32 L33F25-N29 HydrophobicContact CD1-CB 4.15Å; F25-N29 VanDerWaalsContact CE1-C 3.46Å; F25-N29 HydrophobicContact CE1-CB 3.55Å; F25-N29 HydrophobicContact CE2-CB 4.2Å; F25-N29 HydrophobicContact CZ-CB 3.58Å; E26-N29 PolarHBondContact O-N 3.05Å; E26-N29 VanDerWaalsContact O-N 3.08Å; E26-N29 PolarHBondContact OE2-ND2 3.12Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.39Å; N29-V32 PolarHBondContact O-N 3.11Å; N29-L33 PolarHBondContact O-N 2.84Å; N29-L33 VanDerWaalsContact O-N 3.12Å
30F94.7Very high91.5Very high0 Ų063.2 Ų63.20%032%0.318CS..Hα-helixtrans-65-42.2172.9-170.2-121.7000112.1I3 V5 L19 V21 F25 E26 L27 R28 V32 L33 C34 I47 L61 V72I3-F30 HydrophobicContact CB-CE2 4.42Å; I3-F30 HydrophobicContact CB-CZ 4.2Å; I3-F30 HydrophobicContact CG2-CE2 4.47Å; I3-F30 HydrophobicContact CG2-CZ 3.77Å; V5-F30 HydrophobicContact CG2-CZ 3.86Å; L19-F30 HydrophobicContact CB-CE2 4.19Å; L19-F30 HydrophobicContact CD1-CD2 4.1Å; L19-F30 HydrophobicContact CD1-CE2 3.63Å; L19-F30 HydrophobicContact CD1-CZ 4.35Å; V21-F30 HydrophobicContact CG1-CD2 4.13Å; V21-F30 HydrophobicContact CG1-CE2 4.35Å; V21-F30 HydrophobicContact CG2-CE2 4.42Å; F25-F30 HydrophobicContact CD1-CB 4.15Å; F25-F30 HydrophobicContact CE1-CB 4.36Å; E26-F30 PolarHBondContact O-N 3.2Å; E26-F30 VanDerWaalsContact O-N 3.12Å; L27-F30 WeakPolarHBondContact O-CB 3.2Å; L27-F30 PolarHBondContact O-N 3.47Å; R28-F30 VanDerWaalsContact C-N 3.32Å; F30-V32 VanDerWaalsContact C-N 3.3Å; F30-V32 PolarHBondContact O-N 3.33Å; F30-L33 PolarHBondContact O-N 2.98Å; F30-C34 WeakPolarHBondContact O-CB 3.25Å; F30-C34 PolarHBondContact O-N 3.07Å; F30-C34 PolarHBondContact O-SG 2.98Å; F30-C34 VanDerWaalsContact O-SG 3.34Å; F30-I47 HydrophobicContact CD1-CD1 3.56Å; F30-I47 HydrophobicContact CE1-CD1 3.85Å; F30-I47 HydrophobicContact CE1-CG2 4.46Å; F30-L61 HydrophobicContact CB-CD1 4.06Å; F30-L61 HydrophobicContact CB-CD2 4.19Å; F30-L61 HydrophobicContact CB-CG 4.48Å; F30-L61 HydrophobicContact CD1-CD1 4.12Å; F30-L61 HydrophobicContact CD1-CD2 3.79Å; F30-L61 HydrophobicContact CD2-CD1 3.75Å; F30-L61 HydrophobicContact CE1-CD2 4.39Å; F30-L61 HydrophobicContact CE2-CD1 4.18Å; F30-L61 HydrophobicContact CG-CD1 3.72Å; F30-L61 HydrophobicContact CG-CD2 4.06Å; F30-L61 HydrophobicContact CG-CG 4.43Å; F30-V72 HydrophobicContact CE1-CG2 4.13Å; F30-V72 HydrophobicContact CZ-CG2 4.26Å
31K93.8Very high91.5Very high24 Ų2459.3 Ų59.310%0.10431%0.305CS..Hα-helixtrans-57.3-40.8172.4-68.8177.3176.6167.20112.3L27 R28 C34 E35 A42 I45 I47 D57L27-K31 WeakPolarHBondContact O-CG 3.31Å; L27-K31 PolarHBondContact O-N 2.63Å; R28-K31 PolarHBondContact O-N 2.85Å; K31-C34 CarbonylContact O-C 3.53Å; K31-C34 WeakPolarHBondContact O-CB 3.46Å; K31-C34 PolarHBondContact O-N 2.98Å; K31-E35 PolarHBondContact O-N 2.7Å; K31-A42 HydrophobicContact CB-CB 4.06Å; K31-I45 HydrophobicContact CB-CG2 4.37Å; K31-I45 HydrophobicContact CD-CG2 4.46Å; K31-I45 HydrophobicContact CG-CB 4.43Å; K31-I45 HydrophobicContact CG-CG2 3.87Å; K31-I45 WeakPolarHBondContact O-CD1 3.37Å; K31-I47 HydrophobicContact CG-CD1 3.92Å; K31-D57 WeakPolarHBondContact CE-OD1 3.24Å; K31-D57 IonicContact NZ-OD1 2.67Å; K31-D57 PolarHBondContact NZ-OD1 3.35Å; K31-D57 IonicContact NZ-OD2 3.13Å; K31-D57 PolarHBondContact NZ-OD2 3.2Å
32V93.1Very high91.3Very high86 Ų8659.8 Ų59.852%0.52131%0.31SS..Hα-helixtrans-67.4-37.4177.4174.90000112.6R28 N29 F30 E35 A36 A42R28-V32 PolarHBondContact O-N 3.18Å; N29-V32 PolarHBondContact O-N 3.11Å; F30-V32 VanDerWaalsContact C-N 3.3Å; F30-V32 PolarHBondContact O-N 3.33Å; V32-E35 PolarHBondContact O-N 3.04Å; V32-A36 PolarHBondContact O-N 2.91Å; V32-A42 HydrophobicContact CG2-CB 4.28Å
33L91.2Very high91.1Very high67 Ų6765.5 Ų65.535%0.35133%0.331SS..Hα-helixtrans-66-40.9171.1-66.8-178.1000111.5L19 V21 F25 N29 F30 E35 A36L19-L33 HydrophobicContact CD1-CB 3.74Å; L19-L33 HydrophobicContact CD2-CB 4.42Å; V21-L33 HydrophobicContact CG1-CD1 3.79Å; F25-L33 HydrophobicContact CE1-CD1 3.58Å; F25-L33 HydrophobicContact CE1-CG 4.24Å; F25-L33 HydrophobicContact CZ-CD1 3.74Å; F25-L33 HydrophobicContact CZ-CG 4.34Å; N29-L33 PolarHBondContact O-N 2.84Å; N29-L33 VanDerWaalsContact O-N 3.12Å; F30-L33 PolarHBondContact O-N 2.98Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 2.9Å; L33-A36 PolarHBondContact O-N 2.95Å
34C92.1Very high91.2Very high0 Ų063.8 Ų63.80%032%0.318CS..Hα-helixtrans-63.1-34.8174.8-72.60000112.7F17 F30 K31 S38 I45 L74F17-C34 HydrophobicContact CE2-CB 4.47Å; F17-C34 HydrophobicContact CZ-CB 4.23Å; F30-C34 WeakPolarHBondContact O-CB 3.25Å; F30-C34 PolarHBondContact O-N 3.07Å; F30-C34 PolarHBondContact O-SG 2.98Å; F30-C34 VanDerWaalsContact O-SG 3.34Å; K31-C34 CarbonylContact O-C 3.53Å; K31-C34 WeakPolarHBondContact O-CB 3.46Å; K31-C34 PolarHBondContact O-N 2.98Å; C34-S38 WeakPolarHBondContact O-CB 3.49Å; C34-S38 PolarHBondContact O-N 3.25Å; C34-S38 PolarHBondContact O-OG 2.89Å; C34-I45 HydrophobicContact CB-CD1 3.83Å; C34-L74 HydrophobicContact CB-CD1 3.75Å
35E92.3Very high91.3Very high78 Ų7858 Ų5836%0.36429%0.287SS..Hα-helixtrans-60.9-43.7175.1170.9169.3-18000112K31 V32 L33 E37 R39 V40 A42 I45K31-E35 PolarHBondContact O-N 2.7Å; V32-E35 PolarHBondContact O-N 3.04Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 2.9Å; E35-E37 PolarHBondContact O-N 2.96Å; E35-R39 VanDerWaalsContact O-CA 3.25Å; E35-R39 WeakPolarHBondContact O-CA 3.49Å; E35-R39 PolarHBondContact O-N 3.26Å; E35-V40 VanDerWaalsContact CA-O 3.28Å; E35-V40 WeakPolarHBondContact CA-O 3.15Å; E35-V40 VanDerWaalsContact CB-O 3.28Å; E35-V40 WeakPolarHBondContact CB-O 3.25Å; E35-V40 WeakPolarHBondContact CG-O 3.49Å; E35-A42 HydrophobicContact CB-CB 4.45Å; E35-A42 VanDerWaalsContact OE2-CB 3.26Å; E35-A42 WeakPolarHBondContact OE2-CB 3.31Å; E35-A42 PolarHBondContact OE2-N 2.94Å; E35-I45 HydrophobicContact CB-CD1 4.38Å
36A87.3Confident91.3Very high74 Ų7458.3 Ų58.361%0.61229%0.289SS*.Hα-helixtrans-60.5-41.7-178.800000113V32 L33V32-A36 PolarHBondContact O-N 2.91Å; L33-A36 PolarHBondContact O-N 2.95Å
37E89Confident91.3Very high113 Ų11356 Ų5653%0.52828%0.278SS..Hα-helixtrans-83.6-46.7179.9-61.9-59.2150.800112.6F17 L19 E35F17-E37 HydrophobicContact CB-CB 4.42Å; F17-E37 HydrophobicContact CD1-CB 3.98Å; F17-E37 HydrophobicContact CD2-CB 3.57Å; F17-E37 HydrophobicContact CD2-CG 3.83Å; F17-E37 HydrophobicContact CE1-CB 4.08Å; F17-E37 HydrophobicContact CE2-CB 3.67Å; F17-E37 HydrophobicContact CE2-CG 4.14Å; F17-E37 HydrophobicContact CG-CB 3.73Å; F17-E37 HydrophobicContact CG-CG 4.28Å; F17-E37 HydrophobicContact CZ-CB 3.92Å; L19-E37 HydrophobicContact CD2-CG 4.16Å; E35-E37 PolarHBondContact O-N 2.96Å
38S88.9Confident91.4Very high0 Ų058.3 Ų58.30%029%0.29CS..Hα-helixtrans-76.4-24.8-17669.70000113.9R9 C34 V40R9-S38 VanDerWaalsContact CZ-O 3.3Å; R9-S38 PolarHBondContact NE-O 3.35Å; R9-S38 PolarHBondContact NH2-O 3.46Å; C34-S38 WeakPolarHBondContact O-CB 3.49Å; C34-S38 PolarHBondContact O-N 3.25Å; C34-S38 PolarHBondContact O-OG 2.89Å; S38-V40 PolarHBondContact O-N 3.25Å; S38-V40 WeakPolarHBondContact OG-CB 3.3Å; S38-V40 PolarHBondContact OG-N 3.48Å; S38-V40 VanDerWaalsContact OG-N 3.07Å
39R87.3Confident91.4Very high216 Ų21653.8 Ų53.882%0.81527%0.273SS*.  trans60.520.4-166.2-50.3-178.1-177.6178.90.3114.5E35E35-R39 VanDerWaalsContact O-CA 3.25Å; E35-R39 WeakPolarHBondContact O-CA 3.49Å; E35-R39 PolarHBondContact O-N 3.26Å
40V89.8Confident91.2Very high1 Ų157.8 Ų57.81%0.00629%0.292CS..  trans-94.1126.3169.5-178.40000108.3R9 E35 S38 E44 I45 Q76R9-V40 HydrophobicContact CG-CG2 3.93Å; E35-V40 VanDerWaalsContact CA-O 3.28Å; E35-V40 WeakPolarHBondContact CA-O 3.15Å; E35-V40 VanDerWaalsContact CB-O 3.28Å; E35-V40 WeakPolarHBondContact CB-O 3.25Å; E35-V40 WeakPolarHBondContact CG-O 3.49Å; S38-V40 PolarHBondContact O-N 3.25Å; S38-V40 WeakPolarHBondContact OG-CB 3.3Å; S38-V40 PolarHBondContact OG-N 3.48Å; S38-V40 VanDerWaalsContact OG-N 3.07Å; V40-E44 HydrophobicContact CG1-CB 4.04Å; V40-I45 HydrophobicContact CB-CD1 4.37Å; V40-I45 HydrophobicContact CB-CG1 4.05Å; V40-I45 HydrophobicContact CG1-CG1 3.75Å; V40-I45 WeakPolarHBondContact O-CD1 3.49Å; V40-Q76 HydrophobicContact CG1-CB 3.85Å; V40-Q76 HydrophobicContact CG1-CG 3.59Å; V40-Q76 HydrophobicContact CG2-CB 4.33Å
41P91.7Very high90.8Very high54 Ų5467.1 Ų67.135%0.35134%0.336SS..  trans-59139.9179.3-22.933000112E43 E44 I45P41-E43 PolarHBondContact O-N 3.49Å; P41-E43 VanDerWaalsContact O-N 3.07Å; P41-E44 HydrophobicContact CB-CG 4.31Å; P41-E44 HydrophobicContact CG-CG 4.44Å; P41-E44 WeakPolarHBondContact O-CA 3.3Å; P41-E44 PolarHBondContact O-N 3.2Å; P41-I45 PolarHBondContact O-N 3.37Å
42A89.5Confident90.5Very high21 Ų2175.1 Ų75.117%0.17437%0.365CS..THydrogen-bonded Turntrans-58.5-26.5-175.500000114.3K31 V32 E35 E44 I45K31-A42 HydrophobicContact CB-CB 4.06Å; V32-A42 HydrophobicContact CG2-CB 4.28Å; E35-A42 HydrophobicContact CB-CB 4.45Å; E35-A42 VanDerWaalsContact OE2-CB 3.26Å; E35-A42 WeakPolarHBondContact OE2-CB 3.31Å; E35-A42 PolarHBondContact OE2-N 2.94Å; A42-E44 VanDerWaalsContact C-N 3.3Å; A42-I45 PolarHBondContact O-N 3.29Å
43E88.1Confident90.4Very high174 Ų17474.4 Ų74.481%0.81336%0.358SS*.THydrogen-bonded Turntrans-68.6-25.5172.9-62.2-176.5-174.200113.6P41P41-E43 PolarHBondContact O-N 3.49Å; P41-E43 VanDerWaalsContact O-N 3.07Å
44E91.3Very high90.5Very high25 Ų2571.6 Ų71.612%0.11734%0.343CS..THydrogen-bonded Turntrans-93.8-9.4177.7-53.8-164142.300112.5R10 V40 P41 A42 Q46 Q76 K77 N79R10-E44 IonicContact CZ-OE1 3.79Å; R10-E44 IonicContact CZ-OE2 3.06Å; R10-E44 VanDerWaalsContact NH1-CD 3.32Å; R10-E44 IonicContact NH1-OE1 2.86Å; R10-E44 PolarHBondContact NH1-OE1 2.82Å; R10-E44 IonicContact NH1-OE2 3.78Å; R10-E44 PolarHBondContact NH1-OE2 3.4Å; R10-E44 IonicContact NH2-OE1 2.73Å; R10-E44 PolarHBondContact NH2-OE1 3.05Å; R10-E44 IonicContact NH2-OE2 2.73Å; R10-E44 PolarHBondContact NH2-OE2 3.26Å; V40-E44 HydrophobicContact CG1-CB 4.04Å; P41-E44 HydrophobicContact CB-CG 4.31Å; P41-E44 HydrophobicContact CG-CG 4.44Å; P41-E44 WeakPolarHBondContact O-CA 3.3Å; P41-E44 PolarHBondContact O-N 3.2Å; A42-E44 VanDerWaalsContact C-N 3.3Å; E44-Q46 PolarHBondContact O-N 3.2Å; E44-Q76 HydrophobicContact CB-CG 4.18Å; E44-Q76 PolarHBondContact OE2-NE2 2.94Å; E44-K77 WeakPolarHBondContact O-CB 3.48Å; E44-K77 PolarHBondContact O-N 2.89Å; E44-N79 HydrophobicContact CG-CB 4.33Å; E44-N79 WeakPolarHBondContact OE1-CB 3.48Å
45I93.4Very high90.3Very high6 Ų677.3 Ų77.33%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-78.2117.8-177.8-72.5179.3000111.7K31 C34 E35 V40 P41 A42 I47 L74K31-I45 HydrophobicContact CB-CG2 4.37Å; K31-I45 HydrophobicContact CD-CG2 4.46Å; K31-I45 HydrophobicContact CG-CB 4.43Å; K31-I45 HydrophobicContact CG-CG2 3.87Å; K31-I45 WeakPolarHBondContact O-CD1 3.37Å; C34-I45 HydrophobicContact CB-CD1 3.83Å; E35-I45 HydrophobicContact CB-CD1 4.38Å; V40-I45 HydrophobicContact CB-CD1 4.37Å; V40-I45 HydrophobicContact CB-CG1 4.05Å; V40-I45 HydrophobicContact CG1-CG1 3.75Å; V40-I45 WeakPolarHBondContact O-CD1 3.49Å; P41-I45 PolarHBondContact O-N 3.37Å; A42-I45 PolarHBondContact O-N 3.29Å; I45-I47 HydrophobicContact CG2-CD1 3.9Å; I45-I47 HydrophobicContact CG2-CG1 3.53Å; I45-L74 HydrophobicContact CD1-CD1 4.06Å; I45-L74 HydrophobicContact CD1-CG 4.49Å; I45-L74 HydrophobicContact CG1-CD1 4.38Å; I45-L74 HydrophobicContact CG1-CD2 4.05Å; I45-L74 HydrophobicContact CG1-CG 4.3Å; I45-L74 HydrophobicContact CG2-CD1 4.47Å; I45-L74 HydrophobicContact CG2-CD2 4.4Å; I45-L74 HydrophobicContact CG2-CG 3.98Å
46Q93.9Very high90.3Very high65 Ų6579.9 Ų79.930%0.30439%0.385SS..EExtended strand (participates in β ladder)trans-101.9138.9159.2-73.7-176.6-34.500109.7E44 L53 L74 L75 K77E44-Q46 PolarHBondContact O-N 3.2Å; Q46-L53 HydrophobicContact CB-CD1 3.72Å; Q46-L53 HydrophobicContact CG-CD1 4.01Å; Q46-L74 CarbonylContact O-C 3.47Å; Q46-L74 WeakPolarHBondContact O-CA 3.25Å; Q46-L75 HydrophobicContact CB-CB 4.42Å; Q46-L75 PolarHBondContact N-O 3.05Å; Q46-L75 PolarHBondContact O-N 3.05Å; Q46-K77 HydrophobicContact CG-CB 4.15Å
47I94.6Very high90.4Very high1 Ų179.3 Ų79.31%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-123.2127.8179.7-56.4-175.7000108.8L27 F30 K31 I45 L54 V72 V73L27-I47 HydrophobicContact CD1-CD1 4.13Å; F30-I47 HydrophobicContact CD1-CD1 3.56Å; F30-I47 HydrophobicContact CE1-CD1 3.85Å; F30-I47 HydrophobicContact CE1-CG2 4.46Å; K31-I47 HydrophobicContact CG-CD1 3.92Å; I45-I47 HydrophobicContact CG2-CD1 3.9Å; I45-I47 HydrophobicContact CG2-CG1 3.53Å; I47-L54 HydrophobicContact CB-CD1 4.49Å; I47-L54 HydrophobicContact CG2-CD1 3.98Å; I47-L54 HydrophobicContact CG2-CG 4.44Å; I47-L54 PolarHBondContact O-N 3.44Å; I47-V72 HydrophobicContact CG2-CB 3.95Å; I47-V72 HydrophobicContact CG2-CG1 4.43Å; I47-V72 HydrophobicContact CG2-CG2 4.11Å; I47-V73 CarbonylContact C-O 3.15Å; I47-V73 WeakPolarHBondContact CA-O 3.42Å
48I93.6Very high90.4Very high50 Ų5080.1 Ų80.126%0.25638%0.375SS..EExtended strand (participates in β ladder)trans-116.3130-179.4-56.1175.9000109R52 L53 V72 V73 L75I48-R52 WeakPolarHBondContact CA-O 3.39Å; I48-L53 HydrophobicContact CG1-CD1 4.24Å; I48-V72 WeakPolarHBondContact O-CA 3.17Å; I48-V73 HydrophobicContact CB-CB 4.39Å; I48-V73 PolarHBondContact N-O 3.36Å; I48-V73 PolarHBondContact O-N 3.42Å; I48-L75 HydrophobicContact CD1-CD1 3.72Å; I48-L75 HydrophobicContact CD1-CG 4.35Å
49H92.4Very high90.5Very high13 Ų1381.7 Ų81.76%0.0639%0.385CS..EExtended strand (participates in β ladder)trans-134.3131174.6-176.9-123.4000109.4E51 R52 L54 Y64 L66 D70 V72H49-E51 VanDerWaalsContact C-N 3.33Å; H49-E51 PolarHBondContact O-N 2.97Å; H49-R52 PolarHBondContact N-O 2.87Å; H49-R52 WeakPolarHBondContact O-CB 3.36Å; H49-R52 PolarHBondContact O-N 2.84Å; H49-L54 HydrophobicContact CB-CD1 4.32Å; H49-L54 HydrophobicContact CB-CD2 4.23Å; H49-L54 HydrophobicContact CB-CG 4.48Å; H49-Y64 PolarHBondContact ND1-O 3.33Å; H49-L66 HydrophobicContact CB-CD1 4.2Å; H49-L66 WeakPolarHBondContact ND1-CD1 3.46Å; H49-D70 IonicContact CE1-OD2 2.9Å; H49-D70 IonicContact NE2-OD2 3.39Å; H49-V72 HydrophobicContact CB-CG1 4.01Å
50M87.9Confident90.9Very high145 Ų14572.9 Ų72.971%0.71436%0.357SS*.THydrogen-bonded Turntrans45.554-176.3-59.1-173.873.500113R52M50-R52 PolarHBondContact O-N 2.99Å
51E84.7Confident91Very high197 Ų19772.9 Ų72.992%0.92136%0.357SS*.THydrogen-bonded Turntrans62.82.7-178.1-55.617517100115.7H49H49-E51 VanDerWaalsContact C-N 3.33Å; H49-E51 PolarHBondContact O-N 2.97Å
52R89.1Confident90.9Very high192 Ų19271.8 Ų71.873%0.72536%0.355SS*.EExtended strand (participates in β ladder)trans-106.6127.1-178.4-63172.2-172.7-160.1-0.7111.3I48 H49 M50I48-R52 WeakPolarHBondContact CA-O 3.39Å; H49-R52 PolarHBondContact N-O 2.87Å; H49-R52 WeakPolarHBondContact O-CB 3.36Å; H49-R52 PolarHBondContact O-N 2.84Å; M50-R52 PolarHBondContact O-N 2.99Å
53L90.6Very high90.9Very high70 Ų7074.4 Ų74.437%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-66.4130.1166.8179.966.5000109.6Q46 I48 I55Q46-L53 HydrophobicContact CB-CD1 3.72Å; Q46-L53 HydrophobicContact CG-CD1 4.01Å; I48-L53 HydrophobicContact CG1-CD1 4.24Å; L53-I55 HydrophobicContact CB-CG1 4.35Å; L53-I55 HydrophobicContact CD2-CD1 4.19Å; L53-I55 HydrophobicContact CD2-CG1 3.92Å; L53-I55 HydrophobicContact CG-CD1 4.4Å; L53-I55 HydrophobicContact CG-CG1 3.82Å
54L91.9Very high90.9Very high8 Ų868.8 Ų68.84%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-87118.3174.6-49.9-170.6000108.8L27 I47 H49 Y64 L66L27-L54 HydrophobicContact CD1-CB 3.85Å; L27-L54 HydrophobicContact CD1-CD1 3.98Å; L27-L54 HydrophobicContact CD2-CB 3.71Å; L27-L54 HydrophobicContact CG-CB 4.46Å; I47-L54 HydrophobicContact CB-CD1 4.49Å; I47-L54 HydrophobicContact CG2-CD1 3.98Å; I47-L54 HydrophobicContact CG2-CG 4.44Å; I47-L54 PolarHBondContact O-N 3.44Å; H49-L54 HydrophobicContact CB-CD1 4.32Å; H49-L54 HydrophobicContact CB-CD2 4.23Å; H49-L54 HydrophobicContact CB-CG 4.48Å; L54-Y64 HydrophobicContact CB-CD2 4.32Å; L54-Y64 HydrophobicContact CB-CE2 4.1Å; L54-Y64 HydrophobicContact CD1-CD2 4.06Å; L54-Y64 HydrophobicContact CD1-CG 4.3Å; L54-Y64 HydrophobicContact CD2-CD1 3.71Å; L54-Y64 HydrophobicContact CD2-CD2 4.05Å; L54-Y64 HydrophobicContact CD2-CE1 4.17Å; L54-Y64 HydrophobicContact CD2-CE2 4.44Å; L54-Y64 HydrophobicContact CD2-CG 3.65Å; L54-Y64 HydrophobicContact CG-CD2 4.37Å; L54-Y64 HydrophobicContact CG-CG 4.43Å; L54-L66 HydrophobicContact CD1-CD1 4.13Å
55I89.7Confident90.8Very high121 Ų12169 Ų6962%0.62135%0.353SS*.  trans-116.5-38.1-165.2-61.1171.5000112.8L53 D57L53-I55 HydrophobicContact CB-CG1 4.35Å; L53-I55 HydrophobicContact CD2-CD1 4.19Å; L53-I55 HydrophobicContact CD2-CG1 3.92Å; L53-I55 HydrophobicContact CG-CD1 4.4Å; L53-I55 HydrophobicContact CG-CG1 3.82Å; I55-D57 PolarHBondContact O-N 2.86Å
56E90.9Very high90.8Very high132 Ų13269 Ų6962%0.61735%0.353SS*.  trans-87.4100.8-173.3-57.5178.7-139.400110H58 C59 Y64E56-H58 PolarHBondContact O-N 2.91Å; E56-C59 HydrophobicContact CB-CB 4.32Å; E56-C59 WeakPolarHBondContact O-CB 3.31Å; E56-C59 PolarHBondContact O-N 3.28Å; E56-Y64 WeakPolarHBondContact CA-OH 3.33Å; E56-Y64 VanDerWaalsContact CB-OH 3.27Å; E56-Y64 WeakPolarHBondContact CB-OH 3.4Å; E56-Y64 PolarHBondContact N-OH 3.38Å
57D89.3Confident90.8Very high61 Ų6172.4 Ų72.433%0.32637%0.367SS..THydrogen-bonded Turntrans-60.7-13.4-172.7-91.1-34.8000115.5R28 K31 I55R28-D57 HydrophobicContact CB-CB 4.03Å; R28-D57 WeakPolarHBondContact CB-O 3.48Å; R28-D57 VanDerWaalsContact CG-O 3.29Å; R28-D57 WeakPolarHBondContact CG-O 3.29Å; R28-D57 PolarHBondContact N-O 3.33Å; K31-D57 WeakPolarHBondContact CE-OD1 3.24Å; K31-D57 IonicContact NZ-OD1 2.67Å; K31-D57 PolarHBondContact NZ-OD1 3.35Å; K31-D57 IonicContact NZ-OD2 3.13Å; K31-D57 PolarHBondContact NZ-OD2 3.2Å; I55-D57 PolarHBondContact O-N 2.86Å
58H90.1Very high90.7Very high131 Ų13177.8 Ų77.861%0.60640%0.396SS*.THydrogen-bonded Turntrans-100.4-8.8177.4-57.7-51.6000114.2E56E56-H58 PolarHBondContact O-N 2.91Å
59C91.1Very high90.4Very high32 Ų3277.8 Ų77.822%0.21641%0.408CS..SBendtrans-70.9142.8173.8-78.40000110.6E26 L27 E56 Y64E26-C59 WeakPolarHBondContact CA-O 3.28Å; L27-C59 PolarHBondContact N-O 3Å; E56-C59 HydrophobicContact CB-CB 4.32Å; E56-C59 WeakPolarHBondContact O-CB 3.31Å; E56-C59 PolarHBondContact O-N 3.28Å; C59-Y64 HydrophobicContact CB-CD2 4.11Å; C59-Y64 HydrophobicContact CB-CE2 3.45Å; C59-Y64 VanDerWaalsContact CB-CE2 3.45Å
60S94.3Very high90.4Very high32 Ų3279.1 Ų79.122%0.22442%0.416CS..BIsolated β-bridgetrans-75.2146.8173670000110.6F25 G62 S63 Y64F25-S60 CarbonylContact O-C 3.57Å; F25-S60 WeakPolarHBondContact O-CA 3.48Å; S60-G62 PolarHBondContact O-N 2.72Å; S60-S63 PolarHBondContact N-OG 3.31Å; S60-S63 WeakPolarHBondContact O-CA 3.35Å; S60-S63 WeakPolarHBondContact O-CB 3.45Å; S60-S63 PolarHBondContact O-N 3.21Å; S60-S63 PolarHBondContact O-OG 2.94Å; S60-S63 WeakPolarHBondContact OG-CB 3.31Å; S60-S63 PolarHBondContact OG-N 3.48Å; S60-S63 PolarHBondContact OG-OG 3.46Å; S60-Y64 PolarHBondContact O-N 3.29Å
61L92.6Very high90.6Very high0 Ų076.5 Ų76.50%041%0.408CS..THydrogen-bonded Turntrans-56-36.4177-64.6176.5000112.4M1 V21 F25 L27 F30 S63 Y64 G65 L66M1-L61 HydrophobicContact CE-CB 3.39Å; M1-L61 HydrophobicContact CE-CD1 3.79Å; M1-L61 HydrophobicContact CE-CG 4.27Å; V21-L61 HydrophobicContact CG2-CD1 3.86Å; F25-L61 HydrophobicContact CB-CD1 4.44Å; F25-L61 WeakPolarHBondContact O-CG 3.17Å; F25-L61 PolarHBondContact O-N 3.16Å; L27-L61 HydrophobicContact CD1-CD2 4.2Å; F30-L61 HydrophobicContact CB-CD1 4.06Å; F30-L61 HydrophobicContact CB-CD2 4.19Å; F30-L61 HydrophobicContact CB-CG 4.48Å; F30-L61 HydrophobicContact CD1-CD1 4.12Å; F30-L61 HydrophobicContact CD1-CD2 3.79Å; F30-L61 HydrophobicContact CD2-CD1 3.75Å; F30-L61 HydrophobicContact CE1-CD2 4.39Å; F30-L61 HydrophobicContact CE2-CD1 4.18Å; F30-L61 HydrophobicContact CG-CD1 3.72Å; F30-L61 HydrophobicContact CG-CD2 4.06Å; F30-L61 HydrophobicContact CG-CG 4.43Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.04Å; L61-Y64 CarbonylContact O-C 3.17Å; L61-Y64 WeakPolarHBondContact O-CA 3.49Å; L61-Y64 WeakPolarHBondContact O-CB 3.38Å; L61-Y64 PolarHBondContact O-N 3.18Å; L61-Y64 VanDerWaalsContact O-N 3.14Å; L61-G65 PolarHBondContact O-N 2.73Å; L61-L66 HydrophobicContact CB-CB 4.3Å; L61-L66 HydrophobicContact CB-CD1 4.49Å; L61-L66 HydrophobicContact CB-CD2 4.23Å; L61-L66 HydrophobicContact CD2-CD2 4.13Å; L61-L66 WeakPolarHBondContact O-CB 3.25Å; L61-L66 VanDerWaalsContact O-CD1 3.28Å; L61-L66 WeakPolarHBondContact O-CD1 3.36Å; L61-L66 PolarHBondContact O-N 2.93Å; L61-L66 VanDerWaalsContact O-N 3.16Å
62G89Confident91Very high31 Ų3167.2 Ų67.232%0.3236%0.364SS..THydrogen-bonded Turntrans-63.7-32.3173.700000113.7P23 S60 Y64 G65P23-G62 PolarHBondContact O-N 2.75Å; S60-G62 PolarHBondContact O-N 2.72Å; G62-Y64 VanDerWaalsContact C-N 3.29Å; G62-Y64 PolarHBondContact O-N 3.36Å; G62-G65 WeakPolarHBondContact O-CA 3.21Å; G62-G65 PolarHBondContact O-N 3.42Å
63S90.3Very high91.3Very high76 Ų7660.6 Ų60.653%0.53135%0.345SS..THydrogen-bonded Turntrans-69.5-26.8173.472.20000112.9S60 L61 G65S60-S63 PolarHBondContact N-OG 3.31Å; S60-S63 WeakPolarHBondContact O-CA 3.35Å; S60-S63 WeakPolarHBondContact O-CB 3.45Å; S60-S63 PolarHBondContact O-N 3.21Å; S60-S63 PolarHBondContact O-OG 2.94Å; S60-S63 WeakPolarHBondContact OG-CB 3.31Å; S60-S63 PolarHBondContact OG-N 3.48Å; S60-S63 PolarHBondContact OG-OG 3.46Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.04Å; S63-G65 PolarHBondContact O-N 3.05Å
64Y88.8Confident91.5Very high56 Ų5657.2 Ų57.222%0.2233%0.327CS..THydrogen-bonded Turntrans-816.5166.8-72-54.2000114.4L27 H49 L54 E56 C59 S60 L61 G62 L66L27-Y64 HydrophobicContact CB-CE2 4.45Å; L27-Y64 HydrophobicContact CD2-CE2 4.08Å; H49-Y64 PolarHBondContact ND1-O 3.33Å; L54-Y64 HydrophobicContact CB-CD2 4.32Å; L54-Y64 HydrophobicContact CB-CE2 4.1Å; L54-Y64 HydrophobicContact CD1-CD2 4.06Å; L54-Y64 HydrophobicContact CD1-CG 4.3Å; L54-Y64 HydrophobicContact CD2-CD1 3.71Å; L54-Y64 HydrophobicContact CD2-CD2 4.05Å; L54-Y64 HydrophobicContact CD2-CE1 4.17Å; L54-Y64 HydrophobicContact CD2-CE2 4.44Å; L54-Y64 HydrophobicContact CD2-CG 3.65Å; L54-Y64 HydrophobicContact CG-CD2 4.37Å; L54-Y64 HydrophobicContact CG-CG 4.43Å; E56-Y64 WeakPolarHBondContact CA-OH 3.33Å; E56-Y64 VanDerWaalsContact CB-OH 3.27Å; E56-Y64 WeakPolarHBondContact CB-OH 3.4Å; E56-Y64 PolarHBondContact N-OH 3.38Å; C59-Y64 HydrophobicContact CB-CD2 4.11Å; C59-Y64 HydrophobicContact CB-CE2 3.45Å; C59-Y64 VanDerWaalsContact CB-CE2 3.45Å; S60-Y64 PolarHBondContact O-N 3.29Å; L61-Y64 CarbonylContact O-C 3.17Å; L61-Y64 WeakPolarHBondContact O-CA 3.49Å; L61-Y64 WeakPolarHBondContact O-CB 3.38Å; L61-Y64 PolarHBondContact O-N 3.18Å; L61-Y64 VanDerWaalsContact O-N 3.14Å; G62-Y64 VanDerWaalsContact C-N 3.29Å; G62-Y64 PolarHBondContact O-N 3.36Å; Y64-L66 VanDerWaalsContact C-N 3.35Å; Y64-L66 PolarHBondContact O-N 2.81Å
65G89.5Confident91.5Very high30 Ų3059.5 Ų59.531%0.30934%0.339SS..THydrogen-bonded Turntrans808175.100000115.4L61 G62 S63L61-G65 PolarHBondContact O-N 2.73Å; G62-G65 WeakPolarHBondContact O-CA 3.21Å; G62-G65 PolarHBondContact O-N 3.42Å; S63-G65 PolarHBondContact O-N 3.05Å
66L92.9Very high91.6Very high6 Ų655.6 Ų55.63%0.03132%0.318CS..  trans-67.3141.7176.8-74.179.7000111.2M1 I3 H49 L54 L61 Y64 D70 V72M1-L66 HydrophobicContact CE-CB 3.96Å; I3-L66 HydrophobicContact CD1-CB 4.21Å; I3-L66 HydrophobicContact CD1-CD2 4.1Å; I3-L66 HydrophobicContact CG1-CD2 4.37Å; I3-L66 HydrophobicContact CG2-CD2 4.28Å; H49-L66 HydrophobicContact CB-CD1 4.2Å; H49-L66 WeakPolarHBondContact ND1-CD1 3.46Å; L54-L66 HydrophobicContact CD1-CD1 4.13Å; L61-L66 HydrophobicContact CB-CB 4.3Å; L61-L66 HydrophobicContact CB-CD1 4.49Å; L61-L66 HydrophobicContact CB-CD2 4.23Å; L61-L66 HydrophobicContact CD2-CD2 4.13Å; L61-L66 WeakPolarHBondContact O-CB 3.25Å; L61-L66 VanDerWaalsContact O-CD1 3.28Å; L61-L66 WeakPolarHBondContact O-CD1 3.36Å; L61-L66 PolarHBondContact O-N 2.93Å; L61-L66 VanDerWaalsContact O-N 3.16Å; Y64-L66 VanDerWaalsContact C-N 3.35Å; Y64-L66 PolarHBondContact O-N 2.81Å; L66-D70 WeakPolarHBondContact CA-OD2 3.37Å; L66-V72 HydrophobicContact CD2-CG1 3.69Å; L66-V72 HydrophobicContact CG-CG1 4.39Å
67K92.7Very high91.3Very high136 Ų13654.6 Ų54.659%0.59131%0.312SS*.  trans-133.7175.8-174.7-63.3161.4-166.9161.10111.1I3 G69 D70I3-K67 WeakPolarHBondContact CD1-O 3.33Å; K67-G69 PolarHBondContact O-N 3.19Å; K67-D70 WeakPolarHBondContact CB-OD2 3.46Å; K67-D70 PolarHBondContact N-OD2 3.39Å; K67-D70 PolarHBondContact O-N 3.22Å
68D92.5Very high90.5Very high115 Ų11556.8 Ų56.862%0.61532%0.324SS*.THydrogen-bonded Turntrans-66.2121.8173.9-16166.5000111.1M1 L2M1-D68 WeakPolarHBondContact CA-OD1 3.38Å; M1-D68 HydrophobicContact CB-CB 4.13Å; L2-D68 PolarHBondContact N-OD1 3.07Å
69G88.3Confident89Confident50 Ų5054.9 Ų54.952%0.51532%0.318SS..THydrogen-bonded Turntrans95.9-6.3-177.600000115.5L2 K67L2-G69 WeakPolarHBondContact O-CA 3.4Å; L2-G69 PolarHBondContact O-N 2.86Å; K67-G69 PolarHBondContact O-N 3.19Å
70D91.8Very high86.9Confident41 Ų4160 Ų6022%0.21935%0.348CS..  trans-68.4151-177.7-74.7-11000112.7I3 T4 H49 L66 K67I3-D70 HydrophobicContact CD1-CB 4.3Å; T4-D70 PolarHBondContact N-O 2.62Å; H49-D70 IonicContact CE1-OD2 2.9Å; H49-D70 IonicContact NE2-OD2 3.39Å; L66-D70 WeakPolarHBondContact CA-OD2 3.37Å; K67-D70 WeakPolarHBondContact CB-OD2 3.46Å; K67-D70 PolarHBondContact N-OD2 3.39Å; K67-D70 PolarHBondContact O-N 3.22Å
71V92.6Very high84.5Confident90 Ų9060.3 Ų60.355%0.54536%0.357SS..EExtended strand (participates in β ladder)trans-110.4133.3178.2-172.90000109.7T4T4-V71 CarbonylContact O-C 3.59Å; T4-V71 VanDerWaalsContact O-CA 3.32Å; T4-V71 WeakPolarHBondContact O-CA 3.44Å
72V93.5Very high81.9Confident1 Ų167.1 Ų67.11%0.00640%0.401CS..EExtended strand (participates in β ladder)trans-122145.4174.6-61.10000111.1I3 T4 V5 Y6 F30 I47 I48 H49 L66I3-V72 HydrophobicContact CG2-CG1 4.14Å; I3-V72 HydrophobicContact CG2-CG2 3.87Å; T4-V72 PolarHBondContact O-N 2.91Å; V5-V72 WeakPolarHBondContact CA-O 3.29Å; V5-V72 HydrophobicContact CB-CG2 4.31Å; V5-V72 HydrophobicContact CG1-CG2 4.32Å; V5-V72 HydrophobicContact CG2-CG2 3.89Å; Y6-V72 PolarHBondContact N-O 3Å; F30-V72 HydrophobicContact CE1-CG2 4.13Å; F30-V72 HydrophobicContact CZ-CG2 4.26Å; I47-V72 HydrophobicContact CG2-CB 3.95Å; I47-V72 HydrophobicContact CG2-CG1 4.43Å; I47-V72 HydrophobicContact CG2-CG2 4.11Å; I48-V72 WeakPolarHBondContact O-CA 3.17Å; H49-V72 HydrophobicContact CB-CG1 4.01Å; L66-V72 HydrophobicContact CD2-CG1 3.69Å; L66-V72 HydrophobicContact CG-CG1 4.39Å
73V95.3Very high79.2Confident53 Ų5377.2 Ų77.232%0.32143%0.429SS..EExtended strand (participates in β ladder)trans-95.4126.5174.5-178.80000109.1Y6 I47 I48 L75Y6-V73 CarbonylContact O-C 3.58Å; Y6-V73 WeakPolarHBondContact O-CA 3.09Å; I47-V73 CarbonylContact C-O 3.15Å; I47-V73 WeakPolarHBondContact CA-O 3.42Å; I48-V73 HydrophobicContact CB-CB 4.39Å; I48-V73 PolarHBondContact N-O 3.36Å; I48-V73 PolarHBondContact O-N 3.42Å; V73-L75 HydrophobicContact CG1-CD2 3.68Å; V73-L75 HydrophobicContact CG1-CG 4.08Å
74L95Very high76.5Confident0 Ų077.6 Ų77.60%044%0.437CS..EExtended strand (participates in β ladder)trans-103.1118.3173.3-178.3179.6000108V5 Y6 C7 V8 F17 C34 I45 Q46V5-L74 HydrophobicContact CG1-CB 3.64Å; V5-L74 HydrophobicContact CG1-CD1 3.83Å; V5-L74 HydrophobicContact CG1-CG 4.39Å; Y6-L74 PolarHBondContact O-N 2.58Å; C7-L74 WeakPolarHBondContact CA-O 3.44Å; C7-L74 HydrophobicContact CB-CB 4.21Å; C7-L74 HydrophobicContact CB-CD1 4.15Å; C7-L74 HydrophobicContact CB-CD2 4.35Å; C7-L74 HydrophobicContact CB-CG 4.47Å; V8-L74 PolarHBondContact N-O 2.79Å; F17-L74 HydrophobicContact CZ-CD1 4.18Å; C34-L74 HydrophobicContact CB-CD1 3.75Å; I45-L74 HydrophobicContact CD1-CD1 4.06Å; I45-L74 HydrophobicContact CD1-CG 4.49Å; I45-L74 HydrophobicContact CG1-CD1 4.38Å; I45-L74 HydrophobicContact CG1-CD2 4.05Å; I45-L74 HydrophobicContact CG1-CG 4.3Å; I45-L74 HydrophobicContact CG2-CD1 4.47Å; I45-L74 HydrophobicContact CG2-CD2 4.4Å; I45-L74 HydrophobicContact CG2-CG 3.98Å; Q46-L74 CarbonylContact O-C 3.47Å; Q46-L74 WeakPolarHBondContact O-CA 3.25Å
75L92.1Very high74.1Confident56 Ų5681.7 Ų81.729%0.29347%0.47SS..EExtended strand (participates in β ladder)trans-110136.7174.5-58-177.2000110.6V8 Q46 I48 V73 K77V8-L75 HydrophobicContact CB-CD2 3.96Å; V8-L75 HydrophobicContact CG2-CD2 4.25Å; Q46-L75 HydrophobicContact CB-CB 4.42Å; Q46-L75 PolarHBondContact N-O 3.05Å; Q46-L75 PolarHBondContact O-N 3.05Å; I48-L75 HydrophobicContact CD1-CD1 3.72Å; I48-L75 HydrophobicContact CD1-CG 4.35Å; V73-L75 HydrophobicContact CG1-CD2 3.68Å; V73-L75 HydrophobicContact CG1-CG 4.08Å; L75-K77 PolarHBondContact O-N 3.42Å
76Q90.9Very high71.3Confident38 Ų3883.7 Ų83.718%0.17849%0.491CS..EExtended strand (participates in β ladder)trans-84.1105.7170.4-176.1175.721.900110.6V8 R10 V40 E44V8-Q76 PolarHBondContact O-N 3.37Å; R10-Q76 HydrophobicContact CG-CB 4.27Å; R10-Q76 HydrophobicContact CG-CG 3.84Å; V40-Q76 HydrophobicContact CG1-CB 3.85Å; V40-Q76 HydrophobicContact CG1-CG 3.59Å; V40-Q76 HydrophobicContact CG2-CB 4.33Å; E44-Q76 HydrophobicContact CB-CG 4.18Å; E44-Q76 PolarHBondContact OE2-NE2 2.94Å
77K84.4Confident68.3Low111 Ų11195.7 Ų95.748%0.48354%0.536SS..  trans-69.1142.3177-178.2-165.1168.9-1680111.5R10 E44 Q46 L75 N79R10-K77 PolarHBondContact NH2-O 2.62Å; E44-K77 WeakPolarHBondContact O-CB 3.48Å; E44-K77 PolarHBondContact O-N 2.89Å; Q46-K77 HydrophobicContact CG-CB 4.15Å; L75-K77 PolarHBondContact O-N 3.42Å; K77-N79 PolarHBondContact O-N 2.85Å
78D72.5Confident65.5Low107 Ų10793.6 Ų93.657%0.57254%0.544SS*.  trans-66.7122.6167.7-80.3-28.4000113.5R10 V80R10-D78 WeakPolarHBondContact CD-OD1 3.31Å; R10-D78 IonicContact CZ-OD1 3.28Å; R10-D78 IonicContact NE-OD1 3.66Å; R10-D78 PolarHBondContact NE-OD1 2.79Å; D78-V80 HydrophobicContact CB-CG2 4.38Å; D78-V80 PolarHBondContact O-N 2.94Å
79N58.7Low63.1Low91 Ų9193.4 Ų93.449%0.48755%0.549SS..  trans-98.472-178.5-160.9-1.1000110.1E44 K77 G81E44-N79 HydrophobicContact CG-CB 4.33Å; E44-N79 WeakPolarHBondContact OE1-CB 3.48Å; K77-N79 PolarHBondContact O-N 2.85Å; N79-G81 PolarHBondContact O-N 3.41Å
80V46.8Very low60.3Low139 Ų13998.3 Ų98.384%0.84256%0.563SS**  trans-75.763.4175.6-169.30000110.2D78D78-V80 HydrophobicContact CB-CG2 4.38Å; D78-V80 PolarHBondContact O-N 2.94Å
81G44.8Very low57.7Low40 Ų40105.4 Ų105.441%0.41260%0.596SS.*  trans-75147.1168.800000111.5N79 R83N79-G81 PolarHBondContact O-N 3.41Å; G81-R83 PolarHBondContact O-N 3.3Å
82P37.6Very low55Low143 Ų143107 Ų10793%0.92961%0.608SS**  trans-70.999.6-17528.4-34.9000111.8
83R32.4Very low52.2Low242 Ų242118.5 Ų118.591%0.91365%0.651SS**PPolyproline II helixtrans-86.9123.4-178.3-163170.1-174.3161.92.2112.1G81G81-R83 PolarHBondContact O-N 3.3Å
84A33.8Very low49.6Very low84 Ų84123 Ų12369%0.69467%0.672SS**PPolyproline II helixtrans-63.7153.7178.100000113.1G86A84-G86 PolarHBondContact O-N 3.14Å
85P37.9Very low46.9Very low142 Ų142129 Ų12992%0.92270%0.704SS**PPolyproline II helixtrans-72.8117.4-170.728.1-35.1000113.3
86G31.6Very low44.1Very low72 Ų72134.2 Ų134.274%0.74272%0.724SS**  trans-127.8134.3176.600000112.3A84A84-G86 PolarHBondContact O-N 3.14Å
87R29.4Very low41.5Very low258 Ų258137.7 Ų137.797%0.97475%0.753SS**  trans-52.1149.5-170.3-95.2172.2162.9161.4-6.8116.7
88A32.7Very low39.3Very low92 Ų92135.9 Ų135.976%0.7677%0.766SS**  trans-78.1-176.3172.900000112.5
89P42.9Very low37.6Very low112 Ų112137.5 Ų137.573%0.72777%0.773SS**  cis-144.9-175.648.743.3-23.2000118.1
90N29Very low36.4Very low152 Ų152137.7 Ų137.781%0.81379%0.787SS**  trans79.685.1161.6-66.1-0.8000120.4
91Q37.8Very low36.1Very low191 Ų191137.4 Ų137.489%0.89379%0.785SS**  -156.8162.6122-108.7179.2-5.700110.1
92P34.9Very low35.4Very low123 Ų123141.9 Ų141.980%0.79981%0.807SS**  trans-79.5159-166.832.1-35.4000114
93R34.5Very low35Very low243 Ų243138 Ų13892%0.91779%0.794SS**  trans-78.2143.3178.5-64.8177.2175.5175.7-3.7111.9
94I41.8Very low34.8Very low147 Ų147133 Ų13375%0.75479%0.79SS**  trans-119.7136.3152-59.1178.8000106.3F96I94-F96 HydrophobicContact CG2-CD2 3.89Å; I94-F96 HydrophobicContact CG2-CE2 3.59Å; I94-F96 HydrophobicContact CG2-CZ 4.45Å
95D37.8Very low34.5Very low126 Ų126134 Ų13467%0.67479%0.792SS**  trans-110.5129.5-177.1-167.7-28.2000109.2S97D95-S97 VanDerWaalsContact OD1-CB 3.25Å; D95-S97 WeakPolarHBondContact OD1-CB 3.22Å; D95-S97 PolarHBondContact OD1-N 3.1Å; D95-S97 PolarHBondContact OD1-OG 3.09Å
96F33Very low33.9Very low165 Ų165132.4 Ų132.472%0.72478%0.784SS**  trans-121.521.8-177.9-90.3-76.1000112.9I94 G98I94-F96 HydrophobicContact CG2-CD2 3.89Å; I94-F96 HydrophobicContact CG2-CE2 3.59Å; I94-F96 HydrophobicContact CG2-CZ 4.45Å; F96-G98 PolarHBondContact O-N 3.17Å
97S36Very low33.7Very low111 Ų111134.2 Ų134.278%0.77679%0.785SS**THydrogen-bonded Turntrans-66.417179.154.70000116.1D95D95-S97 VanDerWaalsContact OD1-CB 3.25Å; D95-S97 WeakPolarHBondContact OD1-CB 3.22Å; D95-S97 PolarHBondContact OD1-N 3.1Å; D95-S97 PolarHBondContact OD1-OG 3.09Å
98G39.1Very low33.6Very low73 Ų73133.8 Ų133.875%0.75378%0.784SS**THydrogen-bonded Turntrans-108.4-6.7-173.200000117.2F96F96-G98 PolarHBondContact O-N 3.17Å
99I36.8Very low33.8Very low142 Ų142133.8 Ų133.873%0.72878%0.776SS**  trans-107.297.4-176.8-57177.9000110.1
100A33.8Very low33.2Very low95 Ų95137.2 Ų137.279%0.78578%0.782SS**PPolyproline II helixtrans-90123.4175.600000111.2P102A100-P102 WeakPolarHBondContact O-CD 3.4Å
101V39.7Very low33.4Very low133 Ų133138.9 Ų138.981%0.80679%0.785SS**PPolyproline II helixtrans-85.2121.5175.1-175.40000109.4G103V101-G103 PolarHBondContact O-N 3.15Å
102P30.2Very low33.2Very low133 Ų133135.3 Ų135.386%0.86478%0.778SS**PPolyproline II helixtrans-76116.8-177.5-17.632.7000113.1A100A100-P102 WeakPolarHBondContact O-CD 3.4Å
103G28.9Very low32.8Very low63 Ų63132.7 Ų132.765%0.64977%0.773SS**  trans-141.4105.5176.200000113.5V101V101-G103 PolarHBondContact O-N 3.15Å
104T28.6Very low32.7Very low135 Ų135129.4 Ų129.483%0.82877%0.768SS**  trans53.5122.8157.155.30000121.9
105S27.5Very low32.2Very low105 Ų105129.2 Ų129.273%0.73477%0.765SS**  trans75.8112.814348.50000123.5
106S25.8Very low31.8Very low110 Ų110129.5 Ų129.577%0.76976%0.762SS**  trans62.4122.1140.761.80000120.1
107S28.4Very low31.7Very low109 Ų109128.5 Ų128.576%0.76276%0.76SS**  cis17913247.7420000115.4
108R26Very low31.2Very low249 Ų249129.5 Ų129.594%0.9475%0.752SS**  trans59.7176.8155.8-102.2-174.9171.6-178.3-2.4117.4
109P38Very low30.5Very low93 Ų93136.6 Ų136.660%0.60476%0.756SS**  cis-129.9-175.5-10.441.1-24.4000116.2
110Q29.8Very low30.1Very low184 Ų184136.1 Ų136.186%0.8676%0.76SS**  trans75.3112.2148.2-82.1166.71.600122.6
111H32.1Very low30.2Very low186 Ų186138 Ų13886%0.86176%0.764SS**  trans-109.5148.4144.6-92.7-81.7000109.2
112P33.7Very low29.4Very low116 Ų116136 Ų13675%0.75376%0.762SS**  trans-73.4144.5142.5-1.620.9000108.7
113G27.7Very low29.3Very low68 Ų68134.2 Ų134.270%0.70176%0.758SS**  cis84.5125.134.400000109.3
114Q32.6Very low29.3Very low174 Ų174140 Ų14081%0.81377%0.768SS**  cis-160174.911.2-70.2-168.841.300107.6
115Q30.8Very low29.2Very low144 Ų144144.7 Ų144.767%0.67377%0.771SS**  cis-172.3169.7-8.9-113.2-16291.800105.6
116Q30Very low29.1Very low132 Ų132143.6 Ų143.662%0.61776%0.763SS**  cis-166.3168.4-25.8-147.2-159.3116.200107.7
117Q29.8Very low29.2Very low144 Ų144147 Ų14767%0.67377%0.766SS**  trans69.6156.7156.8-71.3-17728.100120.1
118Q26.9Very low28.9Very low132 Ų132145.2 Ų145.262%0.61777%0.765SS**  cis-168.9161.1-28-161.2-17682.600110.1
119R23.9Very low29.1Very low221 Ų221141.8 Ų141.883%0.83477%0.765SS**  trans92156.8159.2-57.6-174.2176.9-150.6-3.3120.6
120T29Very low28.6Very low132 Ų132141.5 Ų141.581%0.8177%0.771SS**  trans-93.5169.4-173.749.20000111.3
121P35.4Very low28.5Very low135 Ų135139.2 Ų139.288%0.87778%0.775SS**  -147.4-153.467.241.6-19.1000115
122A23.5Very low28.3Very low92 Ų92133.5 Ų133.576%0.7677%0.766SS**  trans-123.1162.2-159.100000116.1
123A27.5Very low28.1Very low95 Ų95137 Ų13779%0.78577%0.772SS**  trans59.2116143.800000122.5
124Q28.7Very low28.1Very low184 Ų184139.2 Ų139.286%0.8677%0.773SS**  trans-158.1133.7139-98.2152.622.200106.3
125R26.5Very low28.2Very low233 Ų233138.1 Ų138.188%0.87978%0.778SS**  67.3134.157.4-69-171.3175.8-161.9-0.2112.8
126S25.4Very low28.2Very low83 Ų83136.7 Ų136.758%0.5878%0.778SS**  cis-166.3179.1-2.539.50000112.1
127H27.5Very low28.2Very low180 Ų180132.7 Ų132.783%0.83377%0.773SS**  trans76.2135.5173.2-44.8-79.4000117
128G23.1Very low28.5Very low72 Ų72132.7 Ų132.774%0.74279%0.785SS**  cis113.493.8-20.900000117.5
129L29.3Very low29Very low177 Ų177135.2 Ų135.293%0.92780%0.797SS**  trans-163.7112.7157.5-93.3174.6000106
130A26.9Very low29.5Very low88 Ų88126.7 Ų126.773%0.72778%0.778SS**  cis102.588.414.700000115.7
131S28.7Very low30.3Very low135 Ų135127.4 Ų127.494%0.94478%0.776SS**  trans-179.5116.3154.7-81.30000108.1
132G28Very low31.2Very low67 Ų67123.5 Ų123.569%0.69176%0.761SS**  cis-177.4156.2-10.100000110.3
133E28.2Very low33.3Very low188 Ų188121.8 Ų121.888%0.87974%0.743SS**  trans64146.7169.9-58.5-176.4112.100117.5
134T28.3Very low35.4Very low116 Ų116118.2 Ų118.271%0.71271%0.712SS**  cis-144.3155.9-15.514.40000109.1
135V34.8Very low37.7Very low151 Ų151111.1 Ų111.192%0.91569%0.688SS**  trans-88.4127.5172.8177.50000109.6
136V31.7Very low40.2Very low113 Ų113104.5 Ų104.569%0.68567%0.669SS**  trans-120.6131.9179.1-176.80000110.3
137G29Very low42.8Very low49 Ų49102.2 Ų102.251%0.50565%0.65SS.*  trans-80.2-178.6-179.700000114.7Q139 G140G137-Q139 PolarHBondContact O-N 3.02Å; G137-G140 PolarHBondContact O-N 3.07Å
138P36.2Very low45.3Very low143 Ų14395.8 Ų95.893%0.92962%0.619SS**THydrogen-bonded Turntrans-71.620.3-16830.2-37.4000116.3
139Q36.6Very low47.9Very low186 Ų18695.3 Ų95.387%0.86960%0.604SS**THydrogen-bonded Turntrans-104-2.8173.4-64.3-167.9-3.800113.6G137 L141G137-Q139 PolarHBondContact O-N 3.02Å; Q139-L141 PolarHBondContact O-N 3.24Å
140G35.7Very low50.4Low41 Ų4191.9 Ų91.942%0.42358%0.584SS.*THydrogen-bonded Turntrans-70.5-27.1-173.700000116.9G137G137-G140 PolarHBondContact O-N 3.07Å
141L45.8Very low53Low147 Ų14788.7 Ų88.777%0.7756%0.555SS**THydrogen-bonded Turntrans-86.8-2.6-174.4-78.593.6000114.8Q139 S143Q139-L141 PolarHBondContact O-N 3.24Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.06Å
142G52.8Low55.5Low54 Ų5486.4 Ų86.456%0.55753%0.532SS*.  trans-77.1-1-168.300000117.3P144G142-P144 WeakPolarHBondContact O-CD 3.17Å
143S69Low58.1Low56 Ų5687.7 Ų87.739%0.39253%0.53SS..  trans-87.2122.1-172.669.80000113L141 G145 L146 I147L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.06Å; S143-G145 PolarHBondContact O-N 3.22Å; S143-L146 PolarHBondContact O-N 3.09Å; S143-L146 VanDerWaalsContact O-N 3.14Å; S143-L146 WeakPolarHBondContact OG-CB 3.4Å; S143-I147 PolarHBondContact O-N 2.85Å
144P71.9Confident60.8Low20 Ų2081.5 Ų81.513%0.1350%0.503CS..Hα-helixtrans-60.4-30.2-179.8-26.135.3000113.7G142 R148 F180 S181 L184 M185G142-P144 WeakPolarHBondContact O-CD 3.17Å; P144-R148 WeakPolarHBondContact O-CB 3.5Å; P144-R148 PolarHBondContact O-N 3Å; P144-F180 WeakPolarHBondContact O-CE1 3.37Å; P144-S181 WeakPolarHBondContact CG-OG 3.1Å; P144-L184 HydrophobicContact CB-CD2 4.14Å; P144-L184 HydrophobicContact CG-CD2 4.49Å; P144-M185 HydrophobicContact CG-CE 3.87Å
145G76.4Confident63.3Low34 Ų3481 Ų8135%0.35150%0.502SS..Hα-helixtrans-64.1-41175.800000113.4S143 R148 S149S143-G145 PolarHBondContact O-N 3.22Å; G145-R148 PolarHBondContact O-N 2.9Å; G145-S149 PolarHBondContact O-N 3.45Å; G145-S149 PolarHBondContact O-OG 2.9Å
146L78.4Confident65.6Low94 Ų9480.2 Ų80.249%0.49249%0.488SS..Hα-helixtrans-68.8-46.6178-175.765000110.8S143 R148 S149 M150S143-L146 PolarHBondContact O-N 3.09Å; S143-L146 VanDerWaalsContact O-N 3.14Å; S143-L146 WeakPolarHBondContact OG-CB 3.4Å; L146-R148 VanDerWaalsContact C-N 3.29Å; L146-R148 PolarHBondContact O-N 2.99Å; L146-S149 WeakPolarHBondContact CA-OG 3.39Å; L146-S149 PolarHBondContact O-N 3.1Å; L146-S149 VanDerWaalsContact O-N 3.14Å; L146-S149 PolarHBondContact O-OG 2.9Å; L146-M150 WeakPolarHBondContact O-CB 3.4Å; L146-M150 PolarHBondContact O-N 2.98Å
147I79.9Confident67.8Low35 Ų3577.3 Ų77.318%0.17947%0.468CS..Hα-helixtrans-59-42.9176.5-62.7168.5000110.4S143 M150 L151 F180 L184S143-I147 PolarHBondContact O-N 2.85Å; I147-M150 PolarHBondContact O-N 3.32Å; I147-L151 HydrophobicContact CG2-CD1 3.94Å; I147-L151 WeakPolarHBondContact O-CG 3.2Å; I147-L151 PolarHBondContact O-N 3.18Å; I147-F180 HydrophobicContact CG2-CE1 4.43Å; I147-F180 HydrophobicContact CG2-CZ 4.17Å; I147-L184 HydrophobicContact CB-CD2 4.36Å; I147-L184 HydrophobicContact CD1-CD2 3.86Å; I147-L184 HydrophobicContact CG2-CD2 4.17Å
148R80.2Confident70.3Confident46 Ų4676.6 Ų76.617%0.17445%0.453CS..Hα-helixtrans-59.9-47.2173.4177.3154.3-165.3-120.1-1.8112.6P144 G145 L146 M150 L151 L152 L172 G175 L177 F180P144-R148 WeakPolarHBondContact O-CB 3.5Å; P144-R148 PolarHBondContact O-N 3Å; G145-R148 PolarHBondContact O-N 2.9Å; L146-R148 VanDerWaalsContact C-N 3.29Å; L146-R148 PolarHBondContact O-N 2.99Å; R148-M150 VanDerWaalsContact C-N 3.34Å; R148-M150 PolarHBondContact O-N 3.36Å; R148-L151 PolarHBondContact O-N 3.32Å; R148-L152 HydrophobicContact CG-CD1 3.82Å; R148-L152 WeakPolarHBondContact O-CB 3.19Å; R148-L152 VanDerWaalsContact O-CG 3.31Å; R148-L152 WeakPolarHBondContact O-CG 3.39Å; R148-L152 PolarHBondContact O-N 3.02Å; R148-L152 VanDerWaalsContact O-N 3.07Å; R148-L172 HydrophobicContact CB-CD1 4.22Å; R148-L172 HydrophobicContact CG-CD1 3.71Å; R148-L172 PolarHBondContact NH2-O 3.19Å; R148-G175 VanDerWaalsContact CZ-O 3.3Å; R148-G175 PolarHBondContact NH1-O 3.18Å; R148-G175 VanDerWaalsContact NH2-CA 3.33Å; R148-G175 PolarHBondContact NH2-O 2.84Å; R148-L177 HydrophobicContact CB-CD1 4.48Å; R148-F180 HydrophobicContact CB-CD1 3.84Å; R148-F180 HydrophobicContact CB-CE1 3.67Å; R148-F180 HydrophobicContact CB-CZ 4.34Å; R148-F180 HydrophobicContact CG-CD1 4.39Å
149S78.6Confident72.5Confident61 Ų6173.2 Ų73.243%0.42743%0.433SS..Hα-helixtrans-64.9-37.4178.965.40000112.5G145 L146 L152 S153G145-S149 PolarHBondContact O-N 3.45Å; G145-S149 PolarHBondContact O-OG 2.9Å; L146-S149 WeakPolarHBondContact CA-OG 3.39Å; L146-S149 PolarHBondContact O-N 3.1Å; L146-S149 VanDerWaalsContact O-N 3.14Å; L146-S149 PolarHBondContact O-OG 2.9Å; S149-L152 PolarHBondContact O-N 3.19Å; S149-S153 VanDerWaalsContact O-CB 3.31Å; S149-S153 WeakPolarHBondContact O-CB 3.31Å; S149-S153 PolarHBondContact O-N 2.87Å; S149-S153 PolarHBondContact O-OG 3.16Å
150M81.8Confident74.7Confident105 Ų10568.1 Ų68.152%0.51741%0.411SS..Hα-helixtrans-62.8-52176.2-171.2178.375.100111.2L146 I147 R148 L152 S153 N154L146-M150 WeakPolarHBondContact O-CB 3.4Å; L146-M150 PolarHBondContact O-N 2.98Å; I147-M150 PolarHBondContact O-N 3.32Å; R148-M150 VanDerWaalsContact C-N 3.34Å; R148-M150 PolarHBondContact O-N 3.36Å; M150-L152 PolarHBondContact O-N 3.19Å; M150-S153 PolarHBondContact O-N 3.34Å; M150-S153 PolarHBondContact O-OG 3.15Å; M150-N154 PolarHBondContact O-N 3.4Å
151L81.5Confident76.9Confident21 Ų2167.2 Ų67.211%0.1140%0.396CS..Hα-helixtrans-63.4-25.8178.3-68.9167.1000113.8I147 R148 D157 L161 L172 F180I147-L151 HydrophobicContact CG2-CD1 3.94Å; I147-L151 WeakPolarHBondContact O-CG 3.2Å; I147-L151 PolarHBondContact O-N 3.18Å; R148-L151 PolarHBondContact O-N 3.32Å; L151-D157 HydrophobicContact CD2-CB 4.19Å; L151-L161 HydrophobicContact CD1-CD2 4.14Å; L151-L161 HydrophobicContact CD2-CD2 4.44Å; L151-L172 HydrophobicContact CB-CD1 4.28Å; L151-L172 HydrophobicContact CB-CD2 3.86Å; L151-F180 HydrophobicContact CD1-CE2 4.19Å; L151-F180 HydrophobicContact CD1-CZ 3.85Å
152L81.6Confident78.7Confident88 Ų8865.2 Ų65.246%0.46138%0.381SS..Hα-helixtrans-86.2-22.2173.8-69.6169.4000113.1R148 S149 M150 L158 L172R148-L152 HydrophobicContact CG-CD1 3.82Å; R148-L152 WeakPolarHBondContact O-CB 3.19Å; R148-L152 VanDerWaalsContact O-CG 3.31Å; R148-L152 WeakPolarHBondContact O-CG 3.39Å; R148-L152 PolarHBondContact O-N 3.02Å; R148-L152 VanDerWaalsContact O-N 3.07Å; S149-L152 PolarHBondContact O-N 3.19Å; M150-L152 PolarHBondContact O-N 3.19Å; L152-L158 HydrophobicContact CD2-CD1 3.98Å; L152-L172 HydrophobicContact CD1-CD1 4.45Å; L152-L172 HydrophobicContact CD2-CD1 4.48Å; L152-L172 HydrophobicContact CD2-CD2 4.22Å; L152-L172 HydrophobicContact CD2-CG 4.13Å; L152-L172 HydrophobicContact CG-CD1 4.15Å; L152-L172 HydrophobicContact CG-CD2 4.48Å; L152-L172 HydrophobicContact CG-CG 4.33Å
153S82.8Confident80.1Confident93 Ų9369 Ų6965%0.6539%0.385SS*.Hα-helixtrans-78.9-22.1179.371.10000114S149 M150S149-S153 VanDerWaalsContact O-CB 3.31Å; S149-S153 WeakPolarHBondContact O-CB 3.31Å; S149-S153 PolarHBondContact O-N 2.87Å; S149-S153 PolarHBondContact O-OG 3.16Å; M150-S153 PolarHBondContact O-N 3.34Å; M150-S153 PolarHBondContact O-OG 3.15Å
154N84.4Confident80.6Confident58 Ų5875.7 Ų75.731%0.3140%0.401SS..  trans-117.9108.7178.1-175.43.3000111.7M150 H156 D157 L158M150-N154 PolarHBondContact O-N 3.4Å; N154-H156 PolarHBondContact O-N 3.14Å; N154-H156 WeakPolarHBondContact OD1-CB 3.46Å; N154-H156 PolarHBondContact OD1-N 3.39Å; N154-D157 HydrophobicContact CB-CB 4.25Å; N154-D157 WeakPolarHBondContact CB-OD2 3.49Å; N154-D157 PolarHBondContact ND2-OD1 3.49Å; N154-D157 PolarHBondContact ND2-OD2 3.04Å; N154-D157 PolarHBondContact O-N 3.23Å; N154-L158 PolarHBondContact O-N 3.26Å
155P81.2Confident81.1Confident107 Ų10776.4 Ų76.470%0.69540%0.404SS*.Hα-helixtrans-59.1-26.2177-25.935.4000114.7S159P155-S159 PolarHBondContact O-N 3.39Å
156H82.4Confident81.6Confident133 Ų13377.7 Ų77.762%0.61641%0.406SS*.Hα-helixtrans-70.3-46.9178.6-17571.7000111.5N154 L158 S159 L160N154-H156 PolarHBondContact O-N 3.14Å; N154-H156 WeakPolarHBondContact OD1-CB 3.46Å; N154-H156 PolarHBondContact OD1-N 3.39Å; H156-L158 VanDerWaalsContact C-N 3.27Å; H156-L158 PolarHBondContact O-N 3.07Å; H156-S159 WeakPolarHBondContact O-CB 3.43Å; H156-S159 PolarHBondContact O-N 2.91Å; H156-L160 PolarHBondContact O-N 3.48Å
157D78.6Confident81.9Confident53 Ų5376.7 Ų76.728%0.28341%0.405SS..Hα-helixtrans-63.7-36179.2-59.5-20.8000111.2L151 N154 S159 L160 L161L151-D157 HydrophobicContact CD2-CB 4.19Å; N154-D157 HydrophobicContact CB-CB 4.25Å; N154-D157 WeakPolarHBondContact CB-OD2 3.49Å; N154-D157 PolarHBondContact ND2-OD1 3.49Å; N154-D157 PolarHBondContact ND2-OD2 3.04Å; N154-D157 PolarHBondContact O-N 3.23Å; D157-S159 VanDerWaalsContact C-N 3.32Å; D157-S159 PolarHBondContact O-N 2.96Å; D157-L160 PolarHBondContact O-N 3.32Å; D157-L161 VanDerWaalsContact O-CB 3.25Å; D157-L161 WeakPolarHBondContact O-CB 3.47Å; D157-L161 PolarHBondContact O-N 3.13Å
158L80.8Confident82.2Confident33 Ų3375.5 Ų75.517%0.17340%0.399CS..Hα-helixtrans-65.8-32.9173.9-169.5143.5000112.6L152 N154 H156 K162 L172 L173L152-L158 HydrophobicContact CD2-CD1 3.98Å; N154-L158 PolarHBondContact O-N 3.26Å; H156-L158 VanDerWaalsContact C-N 3.27Å; H156-L158 PolarHBondContact O-N 3.07Å; L158-K162 HydrophobicContact CD2-CD 4.23Å; L158-K162 WeakPolarHBondContact O-CG 3.46Å; L158-K162 PolarHBondContact O-N 3.48Å; L158-L172 HydrophobicContact CD1-CD2 3.97Å; L158-L172 HydrophobicContact CG-CD2 4.42Å; L158-L173 HydrophobicContact CD1-CD2 4.34Å
159S82.1Confident82.4Confident73 Ų7373.4 Ų73.451%0.5139%0.392SS..Hα-helixtrans-69.9-47.5173.7-162.80000111.3P155 H156 D157 L161 K162 E163P155-S159 PolarHBondContact O-N 3.39Å; H156-S159 WeakPolarHBondContact O-CB 3.43Å; H156-S159 PolarHBondContact O-N 2.91Å; D157-S159 VanDerWaalsContact C-N 3.32Å; D157-S159 PolarHBondContact O-N 2.96Å; S159-L161 VanDerWaalsContact C-N 3.29Å; S159-L161 PolarHBondContact O-N 2.8Å; S159-K162 WeakPolarHBondContact O-CB 3.49Å; S159-K162 PolarHBondContact O-N 2.99Å; S159-E163 PolarHBondContact O-N 2.83Å
160L82.9Confident82.8Confident79 Ų7976.9 Ų76.941%0.41440%0.402SS..Hα-helixtrans-63.3-35.3177.6-17563.6000112.1H156 D157 E163 R164H156-L160 PolarHBondContact O-N 3.48Å; D157-L160 PolarHBondContact O-N 3.32Å; L160-E163 PolarHBondContact O-N 3.24Å; L160-R164 HydrophobicContact CD1-CG 4.26Å; L160-R164 PolarHBondContact O-N 3Å
161L82.4Confident83Confident22 Ų2272.3 Ų72.312%0.11538%0.38CS..Hα-helixtrans-65.2-41.1175-172.273.3000112.1L151 D157 S159 E163 N165 L168 A169 L172L151-L161 HydrophobicContact CD1-CD2 4.14Å; L151-L161 HydrophobicContact CD2-CD2 4.44Å; D157-L161 VanDerWaalsContact O-CB 3.25Å; D157-L161 WeakPolarHBondContact O-CB 3.47Å; D157-L161 PolarHBondContact O-N 3.13Å; S159-L161 VanDerWaalsContact C-N 3.29Å; S159-L161 PolarHBondContact O-N 2.8Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-N165 HydrophobicContact CD1-CB 4.08Å; L161-N165 CarbonylContact O-C 3.57Å; L161-N165 WeakPolarHBondContact O-CA 3.42Å; L161-N165 PolarHBondContact O-N 3.49Å; L161-L168 HydrophobicContact CD1-CB 4.46Å; L161-L168 HydrophobicContact CD1-CD2 4.08Å; L161-L168 HydrophobicContact CD1-CG 4.32Å; L161-A169 HydrophobicContact CD2-CB 4.14Å; L161-A169 HydrophobicContact CG-CB 4.05Å; L161-L172 HydrophobicContact CD2-CD2 3.82Å
162K83.1Confident83.2Confident104 Ų10471.4 Ų71.445%0.45238%0.376SS..Hα-helixtrans-61.8-42.1175.3-77.7173.7173.8179.70112.2L158 S159 P166 A169L158-K162 HydrophobicContact CD2-CD 4.23Å; L158-K162 WeakPolarHBondContact O-CG 3.46Å; L158-K162 PolarHBondContact O-N 3.48Å; S159-K162 WeakPolarHBondContact O-CB 3.49Å; S159-K162 PolarHBondContact O-N 2.99Å; K162-P166 WeakPolarHBondContact O-CG 3.48Å; K162-A169 HydrophobicContact CB-CB 4.36Å; K162-A169 HydrophobicContact CG-CB 3.78Å
163E81.6Confident83.3Confident135 Ų13571.6 Ų71.663%0.63138%0.377SS*.Hα-helixtrans-67.9-47179.9-173-165.2123.600111.8S159 L160 L161S159-E163 PolarHBondContact O-N 2.83Å; L160-E163 PolarHBondContact O-N 3.24Å; L161-E163 VanDerWaalsContact C-N 3.34Å
164R79.3Confident83.3Confident196 Ų19670.5 Ų70.574%0.7437%0.369SS*.Hα-helixtrans-100.5-9-169.5-64.3-168166.6-144.4-11.5115.4L160L160-R164 HydrophobicContact CD1-CG 4.26Å; L160-R164 PolarHBondContact O-N 3Å
165N82.7Confident82.9Confident34 Ų3470 Ų7018%0.18238%0.378CS..  trans-157.166.4179.9-166.3-10.4000112.4L161 P167 L168 A169 Q187L161-N165 HydrophobicContact CD1-CB 4.08Å; L161-N165 CarbonylContact O-C 3.57Å; L161-N165 WeakPolarHBondContact O-CA 3.42Å; L161-N165 PolarHBondContact O-N 3.49Å; N165-P167 VanDerWaalsContact C-CD 3.47Å; N165-L168 HydrophobicContact CB-CB 4.4Å; N165-L168 VanDerWaalsContact CG-CB 3.5Å; N165-L168 WeakPolarHBondContact ND2-CB 3.33Å; N165-L168 PolarHBondContact O-N 2.82Å; N165-L168 VanDerWaalsContact O-N 3.15Å; N165-L168 WeakPolarHBondContact OD1-CB 3.25Å; N165-L168 PolarHBondContact OD1-N 2.86Å; N165-A169 PolarHBondContact O-N 3.4Å; N165-A169 VanDerWaalsContact O-N 3.08Å; N165-Q187 PolarHBondContact ND2-OE1 3.44Å; N165-Q187 PolarHBondContact OD1-NE2 3.39Å
166P87.2Confident83.1Confident61 Ų6167.1 Ų67.140%0.39636%0.36SS..Hα-helixtrans-50.1-44.6-178.4-22.228.7000114.7K162 L168 A169 E170K162-P166 WeakPolarHBondContact O-CG 3.48Å; P166-L168 VanDerWaalsContact C-N 3.33Å; P166-L168 PolarHBondContact O-N 2.84Å; P166-A169 WeakPolarHBondContact O-CB 3.48Å; P166-A169 PolarHBondContact O-N 2.87Å; P166-A169 VanDerWaalsContact O-N 3.09Å; P166-E170 WeakPolarHBondContact O-CG 3.41Å; P166-E170 PolarHBondContact O-N 2.84Å
167P85.6Confident83.1Confident73 Ų7364.8 Ų64.847%0.47435%0.352SS..Hα-helixtrans-62.3-35.3-178.7-24.735.7000114N165 A171N165-P167 VanDerWaalsContact C-CD 3.47Å; P167-A171 WeakPolarHBondContact O-CB 3.4Å; P167-A171 PolarHBondContact O-N 2.97Å; P167-A171 VanDerWaalsContact O-N 3.11Å
168L85.3Confident83.3Confident10 Ų1069.8 Ų69.85%0.05237%0.373CS..Hα-helixtrans-77.8-30.9176.4-172.959.2000111.7L161 N165 P166 L172 F180 V183 L184L161-L168 HydrophobicContact CD1-CB 4.46Å; L161-L168 HydrophobicContact CD1-CD2 4.08Å; L161-L168 HydrophobicContact CD1-CG 4.32Å; N165-L168 HydrophobicContact CB-CB 4.4Å; N165-L168 VanDerWaalsContact CG-CB 3.5Å; N165-L168 WeakPolarHBondContact ND2-CB 3.33Å; N165-L168 PolarHBondContact O-N 2.82Å; N165-L168 VanDerWaalsContact O-N 3.15Å; N165-L168 WeakPolarHBondContact OD1-CB 3.25Å; N165-L168 PolarHBondContact OD1-N 2.86Å; P166-L168 VanDerWaalsContact C-N 3.33Å; P166-L168 PolarHBondContact O-N 2.84Å; L168-L172 WeakPolarHBondContact O-CB 3.31Å; L168-L172 PolarHBondContact O-N 3.06Å; L168-F180 HydrophobicContact CD1-CD2 3.71Å; L168-F180 HydrophobicContact CD1-CE2 3.44Å; L168-F180 VanDerWaalsContact CD1-CE2 3.44Å; L168-F180 HydrophobicContact CD1-CZ 4.19Å; L168-F180 HydrophobicContact CG-CE2 3.92Å; L168-V183 HydrophobicContact CB-CG1 4.28Å; L168-V183 HydrophobicContact CD1-CB 4.26Å; L168-V183 HydrophobicContact CD1-CG1 3.97Å; L168-L184 HydrophobicContact CD1-CB 4.05Å; L168-L184 HydrophobicContact CD1-CD1 4.34Å; L168-L184 HydrophobicContact CD2-CD1 3.89Å
169A85.1Confident83.4Confident3 Ų370.8 Ų70.83%0.02538%0.381CS..Hα-helixtrans-67.7-43.3172.500000112.2L161 K162 N165 P166 L172 L173L161-A169 HydrophobicContact CD2-CB 4.14Å; L161-A169 HydrophobicContact CG-CB 4.05Å; K162-A169 HydrophobicContact CB-CB 4.36Å; K162-A169 HydrophobicContact CG-CB 3.78Å; N165-A169 PolarHBondContact O-N 3.4Å; N165-A169 VanDerWaalsContact O-N 3.08Å; P166-A169 WeakPolarHBondContact O-CB 3.48Å; P166-A169 PolarHBondContact O-N 2.87Å; P166-A169 VanDerWaalsContact O-N 3.09Å; A169-L172 WeakPolarHBondContact O-CB 3.46Å; A169-L172 PolarHBondContact O-N 2.83Å; A169-L173 WeakPolarHBondContact O-CB 3.34Å; A169-L173 WeakPolarHBondContact O-CD1 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.31Å; A169-L173 PolarHBondContact O-N 3.32Å
170E87.1Confident83.6Confident134 Ų13467.3 Ų67.363%0.62636%0.357SS*.Hα-helixtrans-61.7-46.4174-73.2170.8-168.100111.1P166 L172 L173 S174P166-E170 WeakPolarHBondContact O-CG 3.41Å; P166-E170 PolarHBondContact O-N 2.84Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 3.07Å; E170-L173 PolarHBondContact O-N 3.11Å; E170-S174 WeakPolarHBondContact O-CB 3.3Å; E170-S174 PolarHBondContact O-N 2.92Å
171A85.1Confident83.6Confident9 Ų965 Ų657%0.07435%0.347CS..Hα-helixtrans-60.2-38.6175.200000112.4P167 S174 V183P167-A171 WeakPolarHBondContact O-CB 3.4Å; P167-A171 PolarHBondContact O-N 2.97Å; P167-A171 VanDerWaalsContact O-N 3.11Å; A171-S174 PolarHBondContact O-OG 3.02Å; A171-V183 HydrophobicContact CB-CB 4.16Å; A171-V183 HydrophobicContact CB-CG2 3.96Å
172L85.3Confident83.8Confident2 Ų270.4 Ų70.41%0.0137%0.371CS..Hα-helixtrans-63.3-45.6175.3-175.374.4000112.2R148 L151 L152 L158 L161 L168 A169 E170 F180R148-L172 HydrophobicContact CB-CD1 4.22Å; R148-L172 HydrophobicContact CG-CD1 3.71Å; R148-L172 PolarHBondContact NH2-O 3.19Å; L151-L172 HydrophobicContact CB-CD1 4.28Å; L151-L172 HydrophobicContact CB-CD2 3.86Å; L152-L172 HydrophobicContact CD1-CD1 4.45Å; L152-L172 HydrophobicContact CD2-CD1 4.48Å; L152-L172 HydrophobicContact CD2-CD2 4.22Å; L152-L172 HydrophobicContact CD2-CG 4.13Å; L152-L172 HydrophobicContact CG-CD1 4.15Å; L152-L172 HydrophobicContact CG-CD2 4.48Å; L152-L172 HydrophobicContact CG-CG 4.33Å; L158-L172 HydrophobicContact CD1-CD2 3.97Å; L158-L172 HydrophobicContact CG-CD2 4.42Å; L161-L172 HydrophobicContact CD2-CD2 3.82Å; L168-L172 WeakPolarHBondContact O-CB 3.31Å; L168-L172 PolarHBondContact O-N 3.06Å; A169-L172 WeakPolarHBondContact O-CB 3.46Å; A169-L172 PolarHBondContact O-N 2.83Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 3.07Å; L172-F180 HydrophobicContact CB-CD2 3.76Å; L172-F180 HydrophobicContact CB-CE2 3.95Å; L172-F180 HydrophobicContact CD1-CD2 3.74Å; L172-F180 HydrophobicContact CD1-CE2 3.54Å; L172-F180 HydrophobicContact CD1-CG 4.36Å; L172-F180 HydrophobicContact CD1-CZ 4.02Å; L172-F180 HydrophobicContact CG-CD2 4.4Å; L172-F180 HydrophobicContact CG-CE2 4.32Å
173L84.4Confident84Confident92 Ų9267.4 Ų67.448%0.48236%0.362SS..Hα-helixtrans-75.4-22.7-177.2-68.5165.4000113.2L158 A169 E170 G175L158-L173 HydrophobicContact CD1-CD2 4.34Å; A169-L173 WeakPolarHBondContact O-CB 3.34Å; A169-L173 WeakPolarHBondContact O-CD1 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.31Å; A169-L173 PolarHBondContact O-N 3.32Å; E170-L173 PolarHBondContact O-N 3.11Å; L173-G175 PolarHBondContact O-N 3Å
174S83.1Confident84.2Confident69 Ų6961.6 Ų61.648%0.48334%0.335SS..THydrogen-bonded Turntrans-59.9-7.1177.377.30000115.1E170 A171 S176 T179E170-S174 WeakPolarHBondContact O-CB 3.3Å; E170-S174 PolarHBondContact O-N 2.92Å; A171-S174 PolarHBondContact O-OG 3.02Å; S174-S176 PolarHBondContact O-N 3.32Å; S174-S176 VanDerWaalsContact O-N 3.07Å; S174-T179 PolarHBondContact OG-OG1 2.95Å
175G76.4Confident84.5Confident49 Ų4956.3 Ų56.351%0.50532%0.32SS..SBendtrans81.1-29.3-179.400000114R148 L173R148-G175 VanDerWaalsContact CZ-O 3.3Å; R148-G175 PolarHBondContact NH1-O 3.18Å; R148-G175 VanDerWaalsContact NH2-CA 3.33Å; R148-G175 PolarHBondContact NH2-O 2.84Å; L173-G175 PolarHBondContact O-N 3Å
176S85.4Confident84.6Confident45 Ų4556.9 Ų56.932%0.31533%0.329SS..  trans-75.9133.7179.4179.80000112.6S174 E178 T179S174-S176 PolarHBondContact O-N 3.32Å; S174-S176 VanDerWaalsContact O-N 3.07Å; S176-E178 VanDerWaalsContact C-N 3.34Å; S176-E178 PolarHBondContact OG-N 3.49Å; S176-E178 VanDerWaalsContact OG-N 3.16Å; S176-T179 WeakPolarHBondContact CB-OG1 3.3Å; S176-T179 PolarHBondContact O-OG1 2.93Å
177L81.1Confident84.6Confident85 Ų8556 Ų5645%0.44532%0.32SS..Hα-helixtrans-75.2-27.8170.9176.661.1000111.5R148 S181R148-L177 HydrophobicContact CB-CD1 4.48Å; L177-S181 WeakPolarHBondContact O-CB 3.42Å; L177-S181 PolarHBondContact O-N 3.33Å
178E83.4Confident84.4Confident158 Ų15856.7 Ų56.774%0.73832%0.317SS*.Hα-helixtrans-76.6-44.7-171.5-167.6164.5-145.600111.5S176 S181 Q182S176-E178 VanDerWaalsContact C-N 3.34Å; S176-E178 PolarHBondContact OG-N 3.49Å; S176-E178 VanDerWaalsContact OG-N 3.16Å; E178-S181 PolarHBondContact O-N 2.82Å; E178-Q182 WeakPolarHBondContact O-CB 3.32Å; E178-Q182 PolarHBondContact O-N 2.99Å
179T82.8Confident84.4Confident54 Ų5464.4 Ų64.433%0.33135%0.345SS..Hα-helixtrans-62.5-46172.252.60000111.2S174 S176 S181 Q182 V183S174-T179 PolarHBondContact OG-OG1 2.95Å; S176-T179 WeakPolarHBondContact CB-OG1 3.3Å; S176-T179 PolarHBondContact O-OG1 2.93Å; T179-S181 PolarHBondContact O-N 2.76Å; T179-Q182 PolarHBondContact O-N 3.35Å; T179-V183 WeakPolarHBondContact O-CG2 3.46Å; T179-V183 PolarHBondContact O-N 3.01Å
180F86.1Confident84.3Confident0 Ų068.9 Ų68.90%037%0.365CS..Hα-helixtrans-57.7-47.1174.8179.5-98.5000111.9P144 I147 R148 L151 L168 L172 Q182 V183 L184P144-F180 WeakPolarHBondContact O-CE1 3.37Å; I147-F180 HydrophobicContact CG2-CE1 4.43Å; I147-F180 HydrophobicContact CG2-CZ 4.17Å; R148-F180 HydrophobicContact CB-CD1 3.84Å; R148-F180 HydrophobicContact CB-CE1 3.67Å; R148-F180 HydrophobicContact CB-CZ 4.34Å; R148-F180 HydrophobicContact CG-CD1 4.39Å; L151-F180 HydrophobicContact CD1-CE2 4.19Å; L151-F180 HydrophobicContact CD1-CZ 3.85Å; L168-F180 HydrophobicContact CD1-CD2 3.71Å; L168-F180 HydrophobicContact CD1-CE2 3.44Å; L168-F180 VanDerWaalsContact CD1-CE2 3.44Å; L168-F180 HydrophobicContact CD1-CZ 4.19Å; L168-F180 HydrophobicContact CG-CE2 3.92Å; L172-F180 HydrophobicContact CB-CD2 3.76Å; L172-F180 HydrophobicContact CB-CE2 3.95Å; L172-F180 HydrophobicContact CD1-CD2 3.74Å; L172-F180 HydrophobicContact CD1-CE2 3.54Å; L172-F180 HydrophobicContact CD1-CG 4.36Å; L172-F180 HydrophobicContact CD1-CZ 4.02Å; L172-F180 HydrophobicContact CG-CD2 4.4Å; L172-F180 HydrophobicContact CG-CE2 4.32Å; F180-Q182 PolarHBondContact O-N 2.89Å; F180-V183 PolarHBondContact O-N 3.26Å; F180-L184 HydrophobicContact CE1-CD2 3.9Å; F180-L184 HydrophobicContact CZ-CD2 4.25Å; F180-L184 WeakPolarHBondContact O-CB 3.38Å; F180-L184 PolarHBondContact O-N 3.24Å
181S84Confident83.8Confident29 Ų2968.3 Ų68.320%0.20336%0.361CS..Hα-helixtrans-59.9-43.6176.3-178.10000112.1P144 L177 E178 T179 M185P144-S181 WeakPolarHBondContact CG-OG 3.1Å; L177-S181 WeakPolarHBondContact O-CB 3.42Å; L177-S181 PolarHBondContact O-N 3.33Å; E178-S181 PolarHBondContact O-N 2.82Å; T179-S181 PolarHBondContact O-N 2.76Å; S181-M185 WeakPolarHBondContact O-CB 3.41Å; S181-M185 WeakPolarHBondContact O-CG 3.46Å; S181-M185 PolarHBondContact O-N 3.13Å
182Q86.8Confident83.7Confident136 Ų13670.3 Ų70.364%0.63638%0.378SS*.Hα-helixtrans-64.2-47.5-179.7-170.5179.920.500112.1E178 T179 F180 A186E178-Q182 WeakPolarHBondContact O-CB 3.32Å; E178-Q182 PolarHBondContact O-N 2.99Å; T179-Q182 PolarHBondContact O-N 3.35Å; F180-Q182 PolarHBondContact O-N 2.89Å; Q182-A186 WeakPolarHBondContact O-CB 3.26Å; Q182-A186 PolarHBondContact O-N 2.9Å
183V86.8Confident83.7Confident41 Ų4174.2 Ų74.225%0.24840%0.398CS..Hα-helixtrans-66.5-43.6178.3177.30000110.9L168 A171 T179 F180 M185 A186 Q187L168-V183 HydrophobicContact CB-CG1 4.28Å; L168-V183 HydrophobicContact CD1-CB 4.26Å; L168-V183 HydrophobicContact CD1-CG1 3.97Å; A171-V183 HydrophobicContact CB-CB 4.16Å; A171-V183 HydrophobicContact CB-CG2 3.96Å; T179-V183 WeakPolarHBondContact O-CG2 3.46Å; T179-V183 PolarHBondContact O-N 3.01Å; F180-V183 PolarHBondContact O-N 3.26Å; V183-M185 PolarHBondContact O-N 2.85Å; V183-A186 PolarHBondContact O-N 3.01Å; V183-Q187 WeakPolarHBondContact O-CG 3.46Å; V183-Q187 PolarHBondContact O-N 3.22Å
184L84.9Confident83.5Confident14 Ų1476.2 Ų76.27%0.07340%0.399CS..Hα-helixtrans-60-47.7176.8-17569.2000111.7P144 I147 L168 F180 A186 Q187 Q188P144-L184 HydrophobicContact CB-CD2 4.14Å; P144-L184 HydrophobicContact CG-CD2 4.49Å; I147-L184 HydrophobicContact CB-CD2 4.36Å; I147-L184 HydrophobicContact CD1-CD2 3.86Å; I147-L184 HydrophobicContact CG2-CD2 4.17Å; L168-L184 HydrophobicContact CD1-CB 4.05Å; L168-L184 HydrophobicContact CD1-CD1 4.34Å; L168-L184 HydrophobicContact CD2-CD1 3.89Å; F180-L184 HydrophobicContact CE1-CD2 3.9Å; F180-L184 HydrophobicContact CZ-CD2 4.25Å; F180-L184 WeakPolarHBondContact O-CB 3.38Å; F180-L184 PolarHBondContact O-N 3.24Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.05Å; L184-Q187 PolarHBondContact O-N 2.92Å; L184-Q188 WeakPolarHBondContact O-CB 3.48Å; L184-Q188 VanDerWaalsContact O-CG 3.28Å; L184-Q188 WeakPolarHBondContact O-CG 3.22Å; L184-Q188 PolarHBondContact O-N 3.36Å
185M85.5Confident83.1Confident85 Ų8578.7 Ų78.742%0.41940%0.403SS..Hα-helixtrans-71.7-23.1178.2-72.3-169.9177.800113.5P144 S181 V183 R189P144-M185 HydrophobicContact CG-CE 3.87Å; S181-M185 WeakPolarHBondContact O-CB 3.41Å; S181-M185 WeakPolarHBondContact O-CG 3.46Å; S181-M185 PolarHBondContact O-N 3.13Å; V183-M185 PolarHBondContact O-N 2.85Å; M185-R189 WeakPolarHBondContact O-CB 3.3Å; M185-R189 WeakPolarHBondContact O-CG 3.28Å; M185-R189 PolarHBondContact O-N 2.58Å; M185-R189 PolarHBondContact O-NE 2.8Å
186A86.1Confident83.1Confident46 Ų4681.1 Ų81.138%0.3840%0.402SS..Hα-helixtrans-68.6-55.3169.300000110.2Q182 V183 L184 Q188 R189 E190Q182-A186 WeakPolarHBondContact O-CB 3.26Å; Q182-A186 PolarHBondContact O-N 2.9Å; V183-A186 PolarHBondContact O-N 3.01Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.05Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; A186-Q188 PolarHBondContact O-N 2.78Å; A186-R189 PolarHBondContact O-N 2.99Å; A186-R189 VanDerWaalsContact O-N 3.16Å; A186-E190 PolarHBondContact O-N 3.36Å
187Q86.1Confident82.6Confident41 Ų4183.4 Ų83.419%0.19241%0.407CS..Hα-helixtrans-63.5-35.1-179.7-68.2-177.2-9.100113.2N165 V183 L184 E190 K191N165-Q187 PolarHBondContact ND2-OE1 3.44Å; N165-Q187 PolarHBondContact OD1-NE2 3.39Å; V183-Q187 WeakPolarHBondContact O-CG 3.46Å; V183-Q187 PolarHBondContact O-N 3.22Å; L184-Q187 PolarHBondContact O-N 2.92Å; Q187-E190 PolarHBondContact O-N 2.99Å; Q187-K191 WeakPolarHBondContact O-CB 3.42Å; Q187-K191 WeakPolarHBondContact O-CG 3.42Å; Q187-K191 PolarHBondContact O-N 2.81Å
188Q80.8Confident82.1Confident89 Ų8986 Ų8642%0.41641%0.411SS..Hα-helixtrans-64.8-42.2173.7-78.6177.1-17.100112.2L184 A186 A192L184-Q188 WeakPolarHBondContact O-CB 3.48Å; L184-Q188 VanDerWaalsContact O-CG 3.28Å; L184-Q188 WeakPolarHBondContact O-CG 3.22Å; L184-Q188 PolarHBondContact O-N 3.36Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; A186-Q188 PolarHBondContact O-N 2.78Å; Q188-A192 VanDerWaalsContact O-CB 3.27Å; Q188-A192 WeakPolarHBondContact O-CB 3.47Å; Q188-A192 PolarHBondContact O-N 2.86Å
189R85.8Confident81.4Confident172 Ų17283.5 Ų83.565%0.64940%0.402SS*.Hα-helixtrans-67.2-39.3175.3-78.2179-69.4167.9-0.3112.1M185 A186 A192 L193M185-R189 WeakPolarHBondContact O-CB 3.3Å; M185-R189 WeakPolarHBondContact O-CG 3.28Å; M185-R189 PolarHBondContact O-N 2.58Å; M185-R189 PolarHBondContact O-NE 2.8Å; A186-R189 PolarHBondContact O-N 2.99Å; A186-R189 VanDerWaalsContact O-N 3.16Å; R189-A192 PolarHBondContact O-N 3.06Å; R189-L193 WeakPolarHBondContact O-CB 3.34Å; R189-L193 PolarHBondContact O-N 2.83Å
190E82.6Confident80.9Confident96 Ų9688.3 Ų88.345%0.44941%0.414SS..Hα-helixtrans-64.9-44.8177.5-160.1-156.6145.700111.8A186 Q187 L193 R194A186-E190 PolarHBondContact O-N 3.36Å; Q187-E190 PolarHBondContact O-N 2.99Å; E190-L193 PolarHBondContact O-N 3.07Å; E190-R194 WeakPolarHBondContact O-CG 3.45Å; E190-R194 PolarHBondContact O-N 2.87Å; E190-R194 IonicContact OE1-CZ 3.23Å; E190-R194 IonicContact OE1-NE 2.78Å; E190-R194 PolarHBondContact OE1-NE 2.94Å; E190-R194 VanDerWaalsContact OE1-NE 3.16Å; E190-R194 IonicContact OE1-NH2 3.78Å; E190-R194 PolarHBondContact OE1-NH2 2.98Å; E190-R194 IonicContact OE2-NH2 2.9Å
191K77.3Confident79.7Confident122 Ų12291.1 Ų91.153%0.5343%0.429SS..Hα-helixtrans-61.2-47.6172.1-76.4-174.3176.6-170.80111.9Q187 L193 R194 E195Q187-K191 WeakPolarHBondContact O-CB 3.42Å; Q187-K191 WeakPolarHBondContact O-CG 3.42Å; Q187-K191 PolarHBondContact O-N 2.81Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 3.04Å; K191-R194 PolarHBondContact O-N 2.84Å; K191-E195 WeakPolarHBondContact O-CB 3.35Å; K191-E195 WeakPolarHBondContact O-CG 3.46Å; K191-E195 PolarHBondContact O-N 3.11Å
192A82.3Confident78.7Confident52 Ų5297.1 Ų97.143%0.4345%0.448SS..Hα-helixtrans-62.2-35.217900000112.6Q188 R189 Q196Q188-A192 VanDerWaalsContact O-CB 3.27Å; Q188-A192 WeakPolarHBondContact O-CB 3.47Å; Q188-A192 PolarHBondContact O-N 2.86Å; R189-A192 PolarHBondContact O-N 3.06Å; A192-Q196 VanDerWaalsContact O-CB 3.22Å; A192-Q196 WeakPolarHBondContact O-CB 3.34Å; A192-Q196 PolarHBondContact O-N 3.23Å
193L86Confident77.7Confident84 Ų8496.2 Ų96.244%0.4445%0.452SS..Hα-helixtrans-66.2-50.5173.6-177.464.3000111R189 E190 K191 E195 Q196 E197R189-L193 WeakPolarHBondContact O-CB 3.34Å; R189-L193 PolarHBondContact O-N 2.83Å; E190-L193 PolarHBondContact O-N 3.07Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 3.04Å; L193-E195 VanDerWaalsContact C-N 3.32Å; L193-E195 PolarHBondContact O-N 3.31Å; L193-Q196 PolarHBondContact O-N 2.97Å; L193-Q196 VanDerWaalsContact O-N 3.12Å; L193-E197 WeakPolarHBondContact O-CG 3.49Å; L193-E197 PolarHBondContact O-N 3.36Å
194R79.5Confident76.5Confident134 Ų13495.7 Ų95.751%0.50645%0.452SS..Hα-helixtrans-62.1-38177.7-70.4-167.4-95.5124.8-17.3112.3E190 K191 R198E190-R194 WeakPolarHBondContact O-CG 3.45Å; E190-R194 PolarHBondContact O-N 2.87Å; E190-R194 IonicContact OE1-CZ 3.23Å; E190-R194 IonicContact OE1-NE 2.78Å; E190-R194 PolarHBondContact OE1-NE 2.94Å; E190-R194 VanDerWaalsContact OE1-NE 3.16Å; E190-R194 IonicContact OE1-NH2 3.78Å; E190-R194 PolarHBondContact OE1-NH2 2.98Å; E190-R194 IonicContact OE2-NH2 2.9Å; K191-R194 PolarHBondContact O-N 2.84Å; R194-R198 WeakPolarHBondContact O-CB 3.48Å; R194-R198 PolarHBondContact O-N 3.28Å
195E74.6Confident75.5Confident120 Ų12099.9 Ų99.956%0.56148%0.475SS*.Hα-helixtrans-66.4-40172.5-75.3174.1-170.800112.2K191 L193 R198 L199K191-E195 WeakPolarHBondContact O-CB 3.35Å; K191-E195 WeakPolarHBondContact O-CG 3.46Å; K191-E195 PolarHBondContact O-N 3.11Å; L193-E195 VanDerWaalsContact C-N 3.32Å; L193-E195 PolarHBondContact O-N 3.31Å; E195-R198 PolarHBondContact O-N 3.08Å; E195-L199 WeakPolarHBondContact O-CB 3.47Å; E195-L199 PolarHBondContact O-N 2.94Å
196Q78Confident74.3Confident101 Ų101101.1 Ų101.147%0.47249%0.489SS..Hα-helixtrans-68-39.3176.5-176.6173.847.500112.3A192 L193 L199 R200A192-Q196 VanDerWaalsContact O-CB 3.22Å; A192-Q196 WeakPolarHBondContact O-CB 3.34Å; A192-Q196 PolarHBondContact O-N 3.23Å; L193-Q196 PolarHBondContact O-N 2.97Å; L193-Q196 VanDerWaalsContact O-N 3.12Å; Q196-L199 PolarHBondContact O-N 3.39Å; Q196-R200 WeakPolarHBondContact O-CB 3.46Å; Q196-R200 WeakPolarHBondContact O-CG 3.42Å; Q196-R200 PolarHBondContact O-N 2.77Å
197E73.6Confident73.3Confident92 Ų92105.6 Ų105.643%0.4351%0.506SS..Hα-helixtrans-65.2-43.7173.9-72.8173.516700111.1L193 L199 R200 L201L193-E197 WeakPolarHBondContact O-CG 3.49Å; L193-E197 PolarHBondContact O-N 3.36Å; E197-L199 PolarHBondContact O-N 3.49Å; E197-R200 WeakPolarHBondContact O-CB 3.17Å; E197-R200 PolarHBondContact O-N 3.29Å; E197-L201 WeakPolarHBondContact O-CG 3.34Å; E197-L201 PolarHBondContact O-N 3.09Å
198R70.9Confident72.8Confident139 Ų139106.9 Ų106.953%0.52551%0.514SS..Hα-helixtrans-62.9-41.2174.2-155.7-177.879.1116.22.6112.1R194 E195 L201 Y202R194-R198 WeakPolarHBondContact O-CB 3.48Å; R194-R198 PolarHBondContact O-N 3.28Å; E195-R198 PolarHBondContact O-N 3.08Å; R198-L201 PolarHBondContact O-N 3.14Å; R198-Y202 HydrophobicContact CG-CD2 4.14Å; R198-Y202 HydrophobicContact CG-CE2 3.79Å; R198-Y202 PolarHBondContact NH1-OH 3.14Å; R198-Y202 VanDerWaalsContact O-CD2 3.22Å; R198-Y202 WeakPolarHBondContact O-CD2 3.41Å; R198-Y202 PolarHBondContact O-N 3.25Å
199L69.1Low72.4Confident106 Ų106112.9 Ų112.956%0.55553%0.533SS*.Hα-helixtrans-63.4-40.9173.5-108.375.9000112E195 Q196 E197 L201 Y202 T203E195-L199 WeakPolarHBondContact O-CB 3.47Å; E195-L199 PolarHBondContact O-N 2.94Å; Q196-L199 PolarHBondContact O-N 3.39Å; E197-L199 PolarHBondContact O-N 3.49Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 3.11Å; L199-Y202 PolarHBondContact O-N 3.48Å; L199-T203 WeakPolarHBondContact O-CB 3.2Å; L199-T203 PolarHBondContact O-N 2.89Å; L199-T203 PolarHBondContact O-OG1 3.26Å
200R71.2Confident72.1Confident155 Ų155110.5 Ų110.559%0.58553%0.529SS*.Hα-helixtrans-59.9-40.8175.4-79.2173176.3166.91.1111.6Q196 E197 T203 A204Q196-R200 WeakPolarHBondContact O-CB 3.46Å; Q196-R200 WeakPolarHBondContact O-CG 3.42Å; Q196-R200 PolarHBondContact O-N 2.77Å; E197-R200 WeakPolarHBondContact O-CB 3.17Å; E197-R200 PolarHBondContact O-N 3.29Å; R200-T203 CarbonylContact O-C 3.48Å; R200-T203 PolarHBondContact O-N 2.76Å; R200-A204 PolarHBondContact O-N 3.38Å
201L62.8Low71.7Confident59 Ų59106.2 Ų106.231%0.30951%0.51SS..Hα-helixtrans-65.8-43.6176-70.7163.4000112.5E197 R198 L199 T203 A204 A211 K214E197-L201 WeakPolarHBondContact O-CG 3.34Å; E197-L201 PolarHBondContact O-N 3.09Å; R198-L201 PolarHBondContact O-N 3.14Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 3.11Å; L201-T203 PolarHBondContact O-N 2.78Å; L201-A204 PolarHBondContact O-N 3.16Å; L201-A211 HydrophobicContact CD2-CB 4.16Å; L201-K214 HydrophobicContact CD1-CD 3.83Å; L201-K214 HydrophobicContact CD2-CD 3.65Å; L201-K214 HydrophobicContact CG-CD 4.41Å
202Y62.7Low71.7Confident156 Ų156104.8 Ų104.861%0.61251%0.506SS*.Hα-helixtrans-69.5-15.1173.2-74.6-62.4000114.7R198 L199R198-Y202 HydrophobicContact CG-CD2 4.14Å; R198-Y202 HydrophobicContact CG-CE2 3.79Å; R198-Y202 PolarHBondContact NH1-OH 3.14Å; R198-Y202 VanDerWaalsContact O-CD2 3.22Å; R198-Y202 WeakPolarHBondContact O-CD2 3.41Å; R198-Y202 PolarHBondContact O-N 3.25Å; L199-Y202 PolarHBondContact O-N 3.48Å
203T65.9Low71.8Confident116 Ų116104.9 Ų104.971%0.71251%0.506SS*.THydrogen-bonded Turntrans-108.23.8179.2-400000112.1L199 R200 L201L199-T203 WeakPolarHBondContact O-CB 3.2Å; L199-T203 PolarHBondContact O-N 2.89Å; L199-T203 PolarHBondContact O-OG1 3.26Å; R200-T203 CarbonylContact O-C 3.48Å; R200-T203 PolarHBondContact O-N 2.76Å; L201-T203 PolarHBondContact O-N 2.78Å
204A60.7Low71.7Confident31 Ų31105.2 Ų105.226%0.25650%0.504SS..SBendtrans-71162.7173.900000110.9R200 L201 D208 A211R200-A204 PolarHBondContact O-N 3.38Å; L201-A204 PolarHBondContact O-N 3.16Å; A204-D208 HydrophobicContact CB-CB 4.4Å; A204-A211 HydrophobicContact CB-CB 3.94Å
205D63.6Low71.7Confident101 Ų101103.1 Ų103.154%0.5450%0.502SS..  trans-62.8132.7170.9-168.3-47000109.1L207 D208D205-L207 PolarHBondContact O-N 2.7Å; D205-L207 WeakPolarHBondContact OD1-CB 3.46Å; D205-L207 PolarHBondContact OD1-N 2.9Å; D205-D208 VanDerWaalsContact O-CB 3.3Å; D205-D208 WeakPolarHBondContact O-CB 3.3Å; D205-D208 PolarHBondContact O-N 3.23Å
206P61.3Low72.3Confident112 Ų112104.2 Ų104.273%0.72751%0.507SS*.THydrogen-bonded Turntrans-55.4-13.7173.6-27.936.5000115.3Q212P206-Q212 PolarHBondContact O-NE2 3.39Å
207L63.7Low72.8Confident140 Ų140103 Ų10373%0.73350%0.502SS*.THydrogen-bonded Turntrans-95.50.1173.5-64168.9000114.2D205 R209D205-L207 PolarHBondContact O-N 2.7Å; D205-L207 WeakPolarHBondContact OD1-CB 3.46Å; D205-L207 PolarHBondContact OD1-N 2.9Å; L207-R209 PolarHBondContact O-N 3.08Å
208D75.9Confident73.4Confident68 Ų68103.5 Ų103.536%0.36450%0.504SS..  trans-70.6121175.9-177.26.2000111.3A204 D205 E210 A211 Q212A204-D208 HydrophobicContact CB-CB 4.4Å; D205-D208 VanDerWaalsContact O-CB 3.3Å; D205-D208 WeakPolarHBondContact O-CB 3.3Å; D205-D208 PolarHBondContact O-N 3.23Å; D208-E210 VanDerWaalsContact C-N 3.33Å; D208-E210 PolarHBondContact O-N 3.13Å; D208-E210 PolarHBondContact OD1-N 3.17Å; D208-A211 HydrophobicContact CB-CB 4.14Å; D208-A211 PolarHBondContact O-N 3.12Å; D208-Q212 WeakPolarHBondContact O-CG 3.24Å; D208-Q212 PolarHBondContact O-N 2.9Å
209R74Confident74.3Confident214 Ų214100.8 Ų100.881%0.80850%0.499SS*.Hα-helixtrans-65.7-31.6-179.5-73.4-176.2166.7-159.5-6.2113.2L207 A213L207-R209 PolarHBondContact O-N 3.08Å; R209-A213 VanDerWaalsContact O-CB 3.31Å; R209-A213 WeakPolarHBondContact O-CB 3.26Å; R209-A213 PolarHBondContact O-N 3.29Å
210E78.8Confident75.4Confident122 Ų122101.5 Ų101.557%0.5749%0.494SS*.Hα-helixtrans-74.4-34.4179.6-160.4-173.1134.700111.2D208 K214D208-E210 VanDerWaalsContact C-N 3.33Å; D208-E210 PolarHBondContact O-N 3.13Å; D208-E210 PolarHBondContact OD1-N 3.17Å; E210-K214 WeakPolarHBondContact O-CG 3.42Å; E210-K214 PolarHBondContact O-N 2.91Å; E210-K214 WeakPolarHBondContact OE1-CE 3.44Å; E210-K214 IonicContact OE1-NZ 2.67Å; E210-K214 PolarHBondContact OE1-NZ 3.28Å
211A74.9Confident76.4Confident6 Ų698.6 Ų98.65%0.0549%0.487CS..Hα-helixtrans-67.9-48.1171.500000111.5L201 A204 D208 A213 K214 I215L201-A211 HydrophobicContact CD2-CB 4.16Å; A204-A211 HydrophobicContact CB-CB 3.94Å; D208-A211 HydrophobicContact CB-CB 4.14Å; D208-A211 PolarHBondContact O-N 3.12Å; A211-A213 PolarHBondContact O-N 2.89Å; A211-K214 PolarHBondContact O-N 3.37Å; A211-I215 WeakPolarHBondContact O-CG1 3.4Å; A211-I215 PolarHBondContact O-N 2.85Å
212Q76.3Confident77.7Confident93 Ų93100.5 Ų100.544%0.43550%0.495SS..Hα-helixtrans-58.1-45.9177.4-73.5-179.9-1.800112.4P206 D208 K214 I215 E216P206-Q212 PolarHBondContact O-NE2 3.39Å; D208-Q212 WeakPolarHBondContact O-CG 3.24Å; D208-Q212 PolarHBondContact O-N 2.9Å; Q212-K214 VanDerWaalsContact C-N 3.31Å; Q212-K214 PolarHBondContact O-N 2.91Å; Q212-I215 PolarHBondContact O-N 3.36Å; Q212-E216 WeakPolarHBondContact O-CB 3.31Å; Q212-E216 PolarHBondContact O-N 3.09Å
213A84.8Confident79.1Confident54 Ų5497.5 Ų97.545%0.44649%0.489SS..Hα-helixtrans-63.6-32.9179.900000113.4R209 A211 E217R209-A213 VanDerWaalsContact O-CB 3.31Å; R209-A213 WeakPolarHBondContact O-CB 3.26Å; R209-A213 PolarHBondContact O-N 3.29Å; A211-A213 PolarHBondContact O-N 2.89Å; A213-E217 PolarHBondContact O-N 3.25Å
214K83.1Confident80.3Confident90 Ų9095.8 Ų95.839%0.39148%0.475SS..Hα-helixtrans-75.2-36.1175.8-71.7169.9-172.5170.10112.2L201 E210 A211 Q212 E217 E218L201-K214 HydrophobicContact CD1-CD 3.83Å; L201-K214 HydrophobicContact CD2-CD 3.65Å; L201-K214 HydrophobicContact CG-CD 4.41Å; E210-K214 WeakPolarHBondContact O-CG 3.42Å; E210-K214 PolarHBondContact O-N 2.91Å; E210-K214 WeakPolarHBondContact OE1-CE 3.44Å; E210-K214 IonicContact OE1-NZ 2.67Å; E210-K214 PolarHBondContact OE1-NZ 3.28Å; A211-K214 PolarHBondContact O-N 3.37Å; Q212-K214 VanDerWaalsContact C-N 3.31Å; Q212-K214 PolarHBondContact O-N 2.91Å; K214-E217 PolarHBondContact O-N 2.59Å; K214-E218 WeakPolarHBondContact O-CB 3.36Å; K214-E218 PolarHBondContact O-N 2.79Å
215I80.2Confident81.8Confident91 Ų91100.4 Ų100.447%0.46749%0.491SS..Hα-helixtrans-66.1-41.1172.7-66.9163.9000110.4A211 Q212 E218 I219A211-I215 WeakPolarHBondContact O-CG1 3.4Å; A211-I215 PolarHBondContact O-N 2.85Å; Q212-I215 PolarHBondContact O-N 3.36Å; I215-E218 PolarHBondContact O-N 2.88Å; I215-I219 HydrophobicContact CG2-CD1 3.81Å; I215-I219 WeakPolarHBondContact O-CB 3.38Å; I215-I219 VanDerWaalsContact O-CG1 3.27Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 3.24Å
216E86.4Confident83.1Confident143 Ų143101.5 Ų101.567%0.66849%0.493SS*.Hα-helixtrans-61.2-46175.1-176176.7-17500111.7Q212 I219 R220Q212-E216 WeakPolarHBondContact O-CB 3.31Å; Q212-E216 PolarHBondContact O-N 3.09Å; E216-I219 PolarHBondContact O-N 2.88Å; E216-R220 VanDerWaalsContact O-CB 3.32Å; E216-R220 WeakPolarHBondContact O-CB 3.36Å; E216-R220 PolarHBondContact O-N 2.86Å
217E88.1Confident84.5Confident76 Ų76101.5 Ų101.536%0.35549%0.487SS..Hα-helixtrans-66-40.4175.7179.561-166.800112.4A213 K214 R220 Q221A213-E217 PolarHBondContact O-N 3.25Å; K214-E217 PolarHBondContact O-N 2.59Å; E217-R220 VanDerWaalsContact CD-NH2 3.27Å; E217-R220 WeakPolarHBondContact O-CB 3.5Å; E217-R220 PolarHBondContact O-N 3.21Å; E217-R220 IonicContact OE1-CZ 2.71Å; E217-R220 IonicContact OE1-NE 2.85Å; E217-R220 IonicContact OE1-NH2 3.72Å; E217-R220 PolarHBondContact OE1-NH2 3.34Å; E217-R220 IonicContact OE2-CZ 3.34Å; E217-R220 VanDerWaalsContact OE2-CZ 3.28Å; E217-R220 IonicContact OE2-NE 4Å; E217-R220 PolarHBondContact OE2-NE 3.39Å; E217-R220 IonicContact OE2-NH2 2.68Å; E217-R220 PolarHBondContact OE2-NH2 3.41Å; E217-Q221 VanDerWaalsContact O-CG 3.27Å; E217-Q221 WeakPolarHBondContact O-CG 3.39Å; E217-Q221 PolarHBondContact O-N 3.07Å; E217-Q221 PolarHBondContact OE1-NE2 3.34Å
218E86.4Confident85.6Confident102 Ų10299.4 Ų99.448%0.47747%0.474SS..Hα-helixtrans-63.7-41.7176.9-170.7169.9-160.600111.5K214 I215 Q221 Q222K214-E218 WeakPolarHBondContact O-CB 3.36Å; K214-E218 PolarHBondContact O-N 2.79Å; I215-E218 PolarHBondContact O-N 2.88Å; E218-Q221 PolarHBondContact O-N 2.61Å; E218-Q222 VanDerWaalsContact O-CG 3.29Å; E218-Q222 WeakPolarHBondContact O-CG 3.2Å; E218-Q222 PolarHBondContact O-N 2.71Å
219I89.6Confident86.1Confident82 Ų82100 Ų10042%0.42148%0.478SS..Hα-helixtrans-64.8-41.2171.7-68.7166.6000111.1I215 E216 Q221 Q222 N223I215-I219 HydrophobicContact CG2-CD1 3.81Å; I215-I219 WeakPolarHBondContact O-CB 3.38Å; I215-I219 VanDerWaalsContact O-CG1 3.27Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 3.24Å; E216-I219 PolarHBondContact O-N 2.88Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3.46Å; I219-Q222 PolarHBondContact O-N 3.38Å; I219-N223 WeakPolarHBondContact O-CB 3.47Å; I219-N223 PolarHBondContact O-N 2.73Å; I219-N223 PolarHBondContact O-ND2 2.85Å; I219-N223 PolarHBondContact O-OD1 3.04Å
220R93.6Very high86.7Confident120 Ų12094.1 Ų94.145%0.45346%0.461SS..Hα-helixtrans-61.9-42178.7-167.7-176.471.979.74111.6E216 E217 I224E216-R220 VanDerWaalsContact O-CB 3.32Å; E216-R220 WeakPolarHBondContact O-CB 3.36Å; E216-R220 PolarHBondContact O-N 2.86Å; E217-R220 VanDerWaalsContact CD-NH2 3.27Å; E217-R220 WeakPolarHBondContact O-CB 3.5Å; E217-R220 PolarHBondContact O-N 3.21Å; E217-R220 IonicContact OE1-CZ 2.71Å; E217-R220 IonicContact OE1-NE 2.85Å; E217-R220 IonicContact OE1-NH2 3.72Å; E217-R220 PolarHBondContact OE1-NH2 3.34Å; E217-R220 IonicContact OE2-CZ 3.34Å; E217-R220 VanDerWaalsContact OE2-CZ 3.28Å; E217-R220 IonicContact OE2-NE 4Å; E217-R220 PolarHBondContact OE2-NE 3.39Å; E217-R220 IonicContact OE2-NH2 2.68Å; E217-R220 PolarHBondContact OE2-NH2 3.41Å; R220-I224 HydrophobicContact CG-CD1 4.25Å; R220-I224 WeakPolarHBondContact O-CD1 3.36Å; R220-I224 VanDerWaalsContact O-CG1 3.25Å; R220-I224 WeakPolarHBondContact O-CG1 3.14Å; R220-I224 PolarHBondContact O-N 2.71Å; R220-I224 VanDerWaalsContact O-N 3.17Å
221Q91.6Very high87Confident94 Ų9489.6 Ų89.644%0.43945%0.445SS..Hα-helixtrans-67.1-44176.1-65.8-70.9-10.300111.4E217 E218 I219 N223 I224 E225E217-Q221 VanDerWaalsContact O-CG 3.27Å; E217-Q221 WeakPolarHBondContact O-CG 3.39Å; E217-Q221 PolarHBondContact O-N 3.07Å; E217-Q221 PolarHBondContact OE1-NE2 3.34Å; E218-Q221 PolarHBondContact O-N 2.61Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3.46Å; Q221-N223 PolarHBondContact O-N 2.85Å; Q221-I224 PolarHBondContact O-N 3.16Å; Q221-I224 VanDerWaalsContact O-N 3.14Å; Q221-E225 PolarHBondContact O-N 3.42Å
222Q90.8Very high87.4Confident100 Ų10093.1 Ų93.147%0.46746%0.462SS..Hα-helixtrans-58.3-45.3175.1-73.9169.814.500112.2E218 I219 I224 E225 E226E218-Q222 VanDerWaalsContact O-CG 3.29Å; E218-Q222 WeakPolarHBondContact O-CG 3.2Å; E218-Q222 PolarHBondContact O-N 2.71Å; I219-Q222 PolarHBondContact O-N 3.38Å; Q222-I224 VanDerWaalsContact C-N 3.29Å; Q222-I224 PolarHBondContact O-N 3.36Å; Q222-E225 PolarHBondContact O-N 2.98Å; Q222-E226 WeakPolarHBondContact O-CB 3.25Å; Q222-E226 PolarHBondContact O-N 3.24Å
223N91.7Very high87.6Confident92 Ų9296.2 Ų96.249%0.49248%0.477SS..Hα-helixtrans-62.9-33.5176.9-67.4-15.7000112.7I219 Q221 N227I219-N223 WeakPolarHBondContact O-CB 3.47Å; I219-N223 PolarHBondContact O-N 2.73Å; I219-N223 PolarHBondContact O-ND2 2.85Å; I219-N223 PolarHBondContact O-OD1 3.04Å; Q221-N223 PolarHBondContact O-N 2.85Å; N223-N227 WeakPolarHBondContact O-CB 3.28Å; N223-N227 PolarHBondContact O-N 3.45Å; N223-N227 VanDerWaalsContact O-N 3.09Å
224I91.9Very high87.6Confident81 Ų81101.3 Ų101.342%0.41549%0.491SS..Hα-helixtrans-71.8-43.9176.2-71164.6000110.6R220 Q221 Q222 M228R220-I224 HydrophobicContact CG-CD1 4.25Å; R220-I224 WeakPolarHBondContact O-CD1 3.36Å; R220-I224 VanDerWaalsContact O-CG1 3.25Å; R220-I224 WeakPolarHBondContact O-CG1 3.14Å; R220-I224 PolarHBondContact O-N 2.71Å; R220-I224 VanDerWaalsContact O-N 3.17Å; Q221-I224 PolarHBondContact O-N 3.16Å; Q221-I224 VanDerWaalsContact O-N 3.14Å; Q222-I224 VanDerWaalsContact C-N 3.29Å; Q222-I224 PolarHBondContact O-N 3.36Å; I224-M228 VanDerWaalsContact O-CB 3.31Å; I224-M228 WeakPolarHBondContact O-CB 3.37Å; I224-M228 PolarHBondContact O-N 2.89Å
225E90.4Very high87.2Confident127 Ų12798.2 Ų98.259%0.59348%0.482SS*.Hα-helixtrans-66-43.5178.2-172.5171.1-154.800111.6Q221 Q222 M228 N229Q221-E225 PolarHBondContact O-N 3.42Å; Q222-E225 PolarHBondContact O-N 2.98Å; E225-M228 PolarHBondContact O-N 2.68Å; E225-N229 WeakPolarHBondContact O-CB 3.37Å; E225-N229 VanDerWaalsContact O-CG 3.26Å; E225-N229 PolarHBondContact O-N 3.45Å; E225-N229 PolarHBondContact O-ND2 3.47Å; E225-N229 VanDerWaalsContact O-ND2 3.13Å
226E91.1Very high86.9Confident124 Ų12497.3 Ų97.358%0.57948%0.482SS*.Hα-helixtrans-62.5-47.6174.7-174.4170.7-145.200111.6Q222 M228 N229 I230Q222-E226 WeakPolarHBondContact O-CB 3.25Å; Q222-E226 PolarHBondContact O-N 3.24Å; E226-M228 VanDerWaalsContact C-N 3.3Å; E226-M228 PolarHBondContact O-N 2.85Å; E226-N229 PolarHBondContact O-N 3.15Å; E226-I230 HydrophobicContact CG-CD1 4Å; E226-I230 VanDerWaalsContact O-CG1 3.3Å; E226-I230 WeakPolarHBondContact O-CG1 3.44Å; E226-I230 PolarHBondContact O-N 3.5Å
227N90.9Very high86.1Confident112 Ų11297 Ų9760%0.59948%0.481SS*.Hα-helixtrans-61-37.7174.9177.291.4000112.4N223 A231N223-N227 WeakPolarHBondContact O-CB 3.28Å; N223-N227 PolarHBondContact O-N 3.45Å; N223-N227 VanDerWaalsContact O-N 3.09Å; N227-A231 WeakPolarHBondContact O-CB 3.37Å; N227-A231 PolarHBondContact O-N 3.2Å
228M86.6Confident85.2Confident96 Ų9697.6 Ų97.647%0.47349%0.493SS..Hα-helixtrans-69.1-40.6176.9-176.5163172.400111.8I224 E225 E226 A231 I232 F239I224-M228 VanDerWaalsContact O-CB 3.31Å; I224-M228 WeakPolarHBondContact O-CB 3.37Å; I224-M228 PolarHBondContact O-N 2.89Å; E225-M228 PolarHBondContact O-N 2.68Å; E226-M228 VanDerWaalsContact C-N 3.3Å; E226-M228 PolarHBondContact O-N 2.85Å; M228-A231 PolarHBondContact O-N 2.79Å; M228-I232 HydrophobicContact CE-CD1 4.15Å; M228-I232 HydrophobicContact CG-CD1 3.99Å; M228-I232 VanDerWaalsContact O-CG1 3.26Å; M228-I232 WeakPolarHBondContact O-CG1 3.19Å; M228-I232 PolarHBondContact O-N 2.67Å; M228-F239 HydrophobicContact CE-CE1 4.12Å; M228-F239 HydrophobicContact CG-CE1 4.43Å; M228-F239 HydrophobicContact CG-CZ 4.44Å
229N86.4Confident84.2Confident82 Ų8297.9 Ų97.944%0.43949%0.493SS..Hα-helixtrans-63.3-46.6174.6-70.9-33.9000111.5E225 E226 A231 I232 E233E225-N229 WeakPolarHBondContact O-CB 3.37Å; E225-N229 VanDerWaalsContact O-CG 3.26Å; E225-N229 PolarHBondContact O-N 3.45Å; E225-N229 PolarHBondContact O-ND2 3.47Å; E225-N229 VanDerWaalsContact O-ND2 3.13Å; E226-N229 PolarHBondContact O-N 3.15Å; N229-A231 VanDerWaalsContact C-N 3.3Å; N229-A231 PolarHBondContact O-N 2.93Å; N229-I232 PolarHBondContact O-N 3.23Å; N229-I232 VanDerWaalsContact O-N 3.1Å; N229-E233 PolarHBondContact O-N 2.87Å
230I87.8Confident83Confident90 Ų9096 Ų9646%0.46249%0.494SS..Hα-helixtrans-56.8-44.4174.8-68.6164.7000110.8E226 I232 E233 E234E226-I230 HydrophobicContact CG-CD1 4Å; E226-I230 VanDerWaalsContact O-CG1 3.3Å; E226-I230 WeakPolarHBondContact O-CG1 3.44Å; E226-I230 PolarHBondContact O-N 3.5Å; I230-I232 VanDerWaalsContact C-N 3.34Å; I230-I232 PolarHBondContact O-N 2.85Å; I230-E233 PolarHBondContact O-N 3.24Å; I230-E234 HydrophobicContact CG2-CG 4.38Å; I230-E234 WeakPolarHBondContact O-CB 3.18Å; I230-E234 PolarHBondContact O-N 3.13Å
231A84.3Confident81.7Confident27 Ų2797.2 Ų97.222%0.22351%0.505CS..Hα-helixtrans-64.7-36177.800000112.8N227 M228 N229 A235 F239N227-A231 WeakPolarHBondContact O-CB 3.37Å; N227-A231 PolarHBondContact O-N 3.2Å; M228-A231 PolarHBondContact O-N 2.79Å; N229-A231 VanDerWaalsContact C-N 3.3Å; N229-A231 PolarHBondContact O-N 2.93Å; A231-A235 CarbonylContact O-C 3.52Å; A231-A235 WeakPolarHBondContact O-CA 3.47Å; A231-A235 PolarHBondContact O-N 3.3Å; A231-F239 HydrophobicContact CB-CE2 3.78Å; A231-F239 HydrophobicContact CB-CZ 3.81Å
232I83.7Confident81.1Confident79 Ų7998.4 Ų98.441%0.40552%0.518SS..Hα-helixtrans-68.8-36.6176.6-70.9165.1000111.4M228 N229 I230 F239M228-I232 HydrophobicContact CE-CD1 4.15Å; M228-I232 HydrophobicContact CG-CD1 3.99Å; M228-I232 VanDerWaalsContact O-CG1 3.26Å; M228-I232 WeakPolarHBondContact O-CG1 3.19Å; M228-I232 PolarHBondContact O-N 2.67Å; N229-I232 PolarHBondContact O-N 3.23Å; N229-I232 VanDerWaalsContact O-N 3.1Å; I230-I232 VanDerWaalsContact C-N 3.34Å; I230-I232 PolarHBondContact O-N 2.85Å; I232-F239 HydrophobicContact CB-CE2 4.4Å; I232-F239 HydrophobicContact CD1-CZ 4.47Å; I232-F239 HydrophobicContact CG1-CD1 4.44Å; I232-F239 HydrophobicContact CG1-CD2 4.04Å; I232-F239 HydrophobicContact CG1-CE1 4.05Å; I232-F239 HydrophobicContact CG1-CE2 3.64Å; I232-F239 HydrophobicContact CG1-CG 4.44Å; I232-F239 HydrophobicContact CG1-CZ 3.63Å
233E81.1Confident80.9Confident159 Ų15996.5 Ų96.574%0.74351%0.513SS*.Hα-helixtrans-78.1-45.4179.6-68.6-172.6159.200112.9N229 I230N229-E233 PolarHBondContact O-N 2.87Å; I230-E233 PolarHBondContact O-N 3.24Å
234E84.1Confident80.9Confident160 Ų16095 Ų9575%0.74850%0.504SS*.Hα-helixtrans-91.4-27-172.9-67.9-73.4143.600114.3I230I230-E234 HydrophobicContact CG2-CG 4.38Å; I230-E234 WeakPolarHBondContact O-CB 3.18Å; I230-E234 PolarHBondContact O-N 3.13Å
235A75.3Confident81.1Confident25 Ų2593.1 Ų93.121%0.20750%0.495CS..  trans-141.855.1-175.100000113.2A231 E237 S238A231-A235 CarbonylContact O-C 3.52Å; A231-A235 WeakPolarHBondContact O-CA 3.47Å; A231-A235 PolarHBondContact O-N 3.3Å; A235-E237 PolarHBondContact O-N 3.08Å; A235-E237 VanDerWaalsContact O-N 3.09Å; A235-S238 WeakPolarHBondContact O-CB 3.44Å; A235-S238 PolarHBondContact O-N 2.84Å; A235-S238 PolarHBondContact O-OG 3.11Å
236P72.6Confident81.3Confident73 Ų7387.3 Ų87.347%0.47447%0.467SS..G310 helixtrans-57.6-26-175.224.2-35.2000114.1S238 F239P236-S238 PolarHBondContact O-N 2.84Å; P236-F239 PolarHBondContact O-N 3.48Å
237E70.4Confident81.6Confident137 Ų13781.4 Ų81.464%0.6444%0.44SS*.G310 helixtrans-60.3-22.7172.865.9-82.4-169.100113.6A235 F239 G240A235-E237 PolarHBondContact O-N 3.08Å; A235-E237 VanDerWaalsContact O-N 3.09Å; E237-F239 PolarHBondContact O-N 3.39Å; E237-G240 PolarHBondContact O-N 2.82Å; E237-G240 VanDerWaalsContact O-N 3.07Å
238S68.5Low81.9Confident87 Ų8779.4 Ų79.461%0.60843%0.429SS*.G310 helixtrans-64.1-20.5173.9-49.90000113A235 P236A235-S238 WeakPolarHBondContact O-CB 3.44Å; A235-S238 PolarHBondContact O-N 2.84Å; A235-S238 PolarHBondContact O-OG 3.11Å; P236-S238 PolarHBondContact O-N 2.84Å
239F65.6Low82.4Confident109 Ų10975.2 Ų75.248%0.47841%0.409SS..G310 helixtrans-101.2-4.9177.1-58.8-91000112.3M228 A231 I232 P236 E237M228-F239 HydrophobicContact CE-CE1 4.12Å; M228-F239 HydrophobicContact CG-CE1 4.43Å; M228-F239 HydrophobicContact CG-CZ 4.44Å; A231-F239 HydrophobicContact CB-CE2 3.78Å; A231-F239 HydrophobicContact CB-CZ 3.81Å; I232-F239 HydrophobicContact CB-CE2 4.4Å; I232-F239 HydrophobicContact CD1-CZ 4.47Å; I232-F239 HydrophobicContact CG1-CD1 4.44Å; I232-F239 HydrophobicContact CG1-CD2 4.04Å; I232-F239 HydrophobicContact CG1-CE1 4.05Å; I232-F239 HydrophobicContact CG1-CE2 3.64Å; I232-F239 HydrophobicContact CG1-CG 4.44Å; I232-F239 HydrophobicContact CG1-CZ 3.63Å; P236-F239 PolarHBondContact O-N 3.48Å; E237-F239 PolarHBondContact O-N 3.39Å
240G63.9Low83Confident42 Ų4275.6 Ų75.643%0.43341%0.407SS..SBendtrans-80.7136.5175.400000112E237 V242E237-G240 PolarHBondContact O-N 2.82Å; E237-G240 VanDerWaalsContact O-N 3.07Å; G240-V242 PolarHBondContact O-N 2.98Å; G240-V242 VanDerWaalsContact O-N 3.14Å
241Q67.7Low83.4Confident145 Ų14571.4 Ų71.468%0.67839%0.385SS*.  trans-72.1108.3170.5-177.1170.6-18.500109.6T243Q241-T243 PolarHBondContact O-N 2.83Å
242V79.6Confident83.9Confident120 Ų12074 Ų7473%0.72740%0.395SS*.PPolyproline II helixtrans-64.4123.1-178.2-178.20000110.8G240 M244G240-V242 PolarHBondContact O-N 2.98Å; G240-V242 VanDerWaalsContact O-N 3.14Å; V242-M244 PolarHBondContact O-N 3.17Å
243T85.1Confident84.4Confident59 Ų5972.8 Ų72.836%0.36240%0.402SS..PPolyproline II helixtrans-66.3124.1177.7-44.10000110.9Q241 E364 L367Q241-T243 PolarHBondContact O-N 2.83Å; T243-E364 HydrophobicContact CG2-CB 4.05Å; T243-L367 HydrophobicContact CG2-CD1 3.71Å; T243-L367 HydrophobicContact CG2-CG 4.32Å
244M91.9Very high85.1Confident62 Ų6268.7 Ų68.731%0.30538%0.383SS..PPolyproline II helixtrans-70.9144.6-179.5-60.2-57.5-71.300111.9V242 Y246 F259 L367 S371V242-M244 PolarHBondContact O-N 3.17Å; M244-Y246 HydrophobicContact CB-CD2 4.21Å; M244-Y246 HydrophobicContact CB-CE2 3.95Å; M244-Y246 PolarHBondContact O-N 3.14Å; M244-F259 HydrophobicContact CB-CE2 4.13Å; M244-F259 HydrophobicContact CE-CE2 3.64Å; M244-F259 HydrophobicContact CE-CZ 3.58Å; M244-L367 HydrophobicContact CB-CD1 4.49Å; M244-S371 WeakPolarHBondContact CG-OG 3.44Å
245L95.4Very high85.7Confident41 Ų4165.2 Ų65.222%0.21538%0.375CS..  trans-75.5107-176.2-56.5-179.2000111.9F259 V260 I343 L345 F361L245-F259 VanDerWaalsContact O-CD2 3.31Å; L245-F259 WeakPolarHBondContact O-CD2 3.29Å; L245-V260 HydrophobicContact CB-CB 4.16Å; L245-V260 PolarHBondContact O-N 2.83Å; L245-I343 HydrophobicContact CD1-CG2 3.78Å; L245-L345 HydrophobicContact CD1-CD2 3.97Å; L245-L345 HydrophobicContact CD2-CD2 3.79Å; L245-F361 HydrophobicContact CB-CD1 4.03Å; L245-F361 HydrophobicContact CB-CE1 4.06Å; L245-F361 HydrophobicContact CD1-CZ 4.34Å; L245-F361 HydrophobicContact CD2-CD1 4.28Å; L245-F361 HydrophobicContact CD2-CD2 4.01Å; L245-F361 HydrophobicContact CD2-CE2 4.26Å; L245-F361 HydrophobicContact CD2-CG 4.04Å
246Y96.6Very high86.7Confident5 Ų564.3 Ų64.32%0.0237%0.366CS..EExtended strand (participates in β ladder)trans-120.4151.4170.8-78.2-101.9000111.2M244 K257 A258 F259 F361 L362 L367 P368M244-Y246 HydrophobicContact CB-CD2 4.21Å; M244-Y246 HydrophobicContact CB-CE2 3.95Å; M244-Y246 PolarHBondContact O-N 3.14Å; Y246-K257 HydrophobicContact CD1-CB 4.23Å; Y246-A258 CarbonylContact C-O 3.51Å; Y246-A258 VanDerWaalsContact CA-O 3.31Å; Y246-A258 WeakPolarHBondContact CA-O 3.25Å; Y246-F259 HydrophobicContact CD1-CB 4.09Å; Y246-F259 HydrophobicContact CD2-CD2 4.08Å; Y246-F259 HydrophobicContact CE1-CB 3.63Å; Y246-F259 HydrophobicContact CE1-CG 4.44Å; Y246-F259 HydrophobicContact CE2-CB 4.35Å; Y246-F259 AromaticContact CE2-CD2 3.71Å; Y246-F259 HydrophobicContact CE2-CD2 3.71Å; Y246-F259 HydrophobicContact CE2-CG 4.34Å; Y246-F259 AromaticContact CZ-CD2 3.95Å; Y246-F361 CarbonylContact O-C 3.55Å; Y246-F361 VanDerWaalsContact O-CA 3.25Å; Y246-F361 WeakPolarHBondContact O-CA 3.49Å; Y246-L362 PolarHBondContact O-N 2.87Å; Y246-L367 HydrophobicContact CD2-CD2 3.58Å; Y246-L367 HydrophobicContact CE2-CD2 4.4Å; Y246-L367 HydrophobicContact CG-CD2 3.95Å; Y246-P368 HydrophobicContact CD1-CG 4.13Å; Y246-P368 HydrophobicContact CE1-CG 3.73Å
247I97.3Very high87.8Confident0 Ų063.5 Ų63.50%036%0.355CS..EExtended strand (participates in β ladder)trans-126.6154.5170.865.3174.4000111.2K257 A258 V260 I310 L331 L350 T359 F361I247-K257 WeakPolarHBondContact O-CA 3.4Å; I247-A258 HydrophobicContact CG1-CB 4.12Å; I247-A258 PolarHBondContact N-O 3.04Å; I247-A258 PolarHBondContact O-N 2.92Å; I247-V260 HydrophobicContact CD1-CG2 4.34Å; I247-V260 HydrophobicContact CG1-CG2 4.18Å; I247-V260 HydrophobicContact CG2-CG2 4.06Å; I247-I310 HydrophobicContact CD1-CD1 3.84Å; I247-L331 HydrophobicContact CD1-CD1 3.64Å; I247-L331 HydrophobicContact CG1-CD1 4.25Å; I247-L350 HydrophobicContact CD1-CD2 3.77Å; I247-L350 HydrophobicContact CG2-CB 4.23Å; I247-L350 HydrophobicContact CG2-CD2 4.46Å; I247-T359 HydrophobicContact CB-CG2 4Å; I247-T359 HydrophobicContact CD1-CG2 4.17Å; I247-T359 HydrophobicContact CG2-CG2 3.83Å; I247-F361 HydrophobicContact CG2-CD1 3.63Å; I247-F361 HydrophobicContact CG2-CE1 3.84Å
248N97.4Very high89Confident70 Ų7057 Ų5737%0.37433%0.325SS..EExtended strand (participates in β ladder)trans-79.4133166-78.9-40000109.8K257 L362N248-K257 WeakPolarHBondContact OD1-CE 3.48Å; N248-L362 WeakPolarHBondContact ND2-CD2 3.41Å
249C96.8Very high90.3Very high7 Ų753.8 Ų53.85%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-146.6175.1170.468.30000110.6P255 L256 I308 Q309 I310C249-P255 WeakPolarHBondContact O-CA 3.47Å; C249-L256 PolarHBondContact N-O 3.42Å; C249-L256 PolarHBondContact O-N 3.49Å; C249-L256 VanDerWaalsContact O-O 3.06Å; C249-L256 WeakPolarHBondContact SG-CD1 3.2Å; C249-I308 HydrophobicContact CB-CG2 3.94Å; C249-Q309 CarbonylContact C-O 3.54Å; C249-Q309 VanDerWaalsContact CA-O 3.29Å; C249-Q309 WeakPolarHBondContact CA-O 3.47Å; C249-Q309 VanDerWaalsContact CB-O 3.28Å; C249-Q309 WeakPolarHBondContact CB-O 3.34Å; C249-I310 HydrophobicContact CB-CG1 4.06Å
250K97.9Very high91.8Very high91 Ų9148.9 Ų48.940%0.39628%0.279SS..EExtended strand (participates in β ladder)trans-132.3144.2173.9-52.8170-176.21650111H254 P255 Q309K250-H254 CarbonylContact C-O 3.55Å; K250-H254 WeakPolarHBondContact CA-O 3.4Å; K250-H254 WeakPolarHBondContact CB-O 3.24Å; K250-P255 HydrophobicContact CG-CB 4.38Å; K250-Q309 HydrophobicContact CB-CB 4.17Å; K250-Q309 PolarHBondContact N-O 2.97Å; K250-Q309 PolarHBondContact O-N 2.93Å
251V97Very high93.3Very high1 Ų149 Ų491%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-124.6127.5169.81720000108.4G253 H254 L256 M269 C277 I279 I308V251-G253 PolarHBondContact O-N 3.44Å; V251-G253 VanDerWaalsContact O-N 3.11Å; V251-H254 PolarHBondContact N-O 2.91Å; V251-H254 PolarHBondContact O-N 3.49Å; V251-L256 HydrophobicContact CB-CD2 3.9Å; V251-L256 HydrophobicContact CG2-CD2 3.83Å; V251-M269 HydrophobicContact CB-CE 4.34Å; V251-M269 HydrophobicContact CG1-CE 4.28Å; V251-M269 HydrophobicContact CG2-CE 3.98Å; V251-C277 HydrophobicContact CB-CB 4.41Å; V251-C277 HydrophobicContact CG1-CB 4.16Å; V251-I279 HydrophobicContact CG1-CD1 4.11Å; V251-I279 HydrophobicContact CG1-CG2 4.05Å; V251-I308 HydrophobicContact CG2-CB 4.37Å; V251-I308 HydrophobicContact CG2-CG1 4.02Å; V251-I308 HydrophobicContact CG2-CG2 4.28Å
252N94.9Very high94.6Very high81 Ų8145.5 Ų45.543%0.43326%0.261SS..THydrogen-bonded Turntrans52.332-174-166.345.6000113.1H254 C277 I279N252-H254 VanDerWaalsContact C-N 3.32Å; N252-H254 PolarHBondContact O-CD2 3.33Å; N252-H254 PolarHBondContact O-N 3.03Å; N252-C277 VanDerWaalsContact CB-O 3.3Å; N252-C277 WeakPolarHBondContact CB-O 3.37Å; N252-C277 PolarHBondContact ND2-O 2.94Å; N252-I279 HydrophobicContact CB-CG2 3.97Å
253G93.3Very high95.3Very high54 Ų5443 Ų4356%0.55726%0.26SS*.THydrogen-bonded Turntrans85.7-16.7-176.600000115.8V251V251-G253 PolarHBondContact O-N 3.44Å; V251-G253 VanDerWaalsContact O-N 3.11Å
254H96.9Very high95.6Very high73 Ų7341.2 Ų41.234%0.33825%0.251SS..EExtended strand (participates in β ladder)trans-79.8128.6179.8-63.8-101.6000110.9K250 V251 N252 R276 C277K250-H254 CarbonylContact C-O 3.55Å; K250-H254 WeakPolarHBondContact CA-O 3.4Å; K250-H254 WeakPolarHBondContact CB-O 3.24Å; V251-H254 PolarHBondContact N-O 2.91Å; V251-H254 PolarHBondContact O-N 3.49Å; N252-H254 VanDerWaalsContact C-N 3.32Å; N252-H254 PolarHBondContact O-CD2 3.33Å; N252-H254 PolarHBondContact O-N 3.03Å; H254-R276 PolarHBondContact CE1-O 3.39Å; H254-R276 PolarHBondContact ND1-O 3.45Å; H254-C277 HydrophobicContact CB-CB 4.44Å
255P96.6Very high95.5Very high88 Ų8846 Ų4657%0.57127%0.273SS*.EExtended strand (participates in β ladder)trans-73.7144.2177.530.8-34.6000112.1C249 K250 R276C249-P255 WeakPolarHBondContact O-CA 3.47Å; K250-P255 HydrophobicContact CG-CB 4.38Å; P255-R276 PolarHBondContact O-NH1 2.78Å
256L95.4Very high95.3Very high6 Ų647.7 Ų47.73%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-152.9158.2174.668103.5000110.5C249 V251 A258 M269 D328 M329C249-L256 PolarHBondContact N-O 3.42Å; C249-L256 PolarHBondContact O-N 3.49Å; C249-L256 VanDerWaalsContact O-O 3.06Å; C249-L256 WeakPolarHBondContact SG-CD1 3.2Å; V251-L256 HydrophobicContact CB-CD2 3.9Å; V251-L256 HydrophobicContact CG2-CD2 3.83Å; L256-A258 HydrophobicContact CD1-CB 4.31Å; L256-M269 HydrophobicContact CD2-CE 4.44Å; L256-D328 HydrophobicContact CB-CB 4.15Å; L256-D328 HydrophobicContact CD1-CB 4.23Å; L256-M329 HydrophobicContact CD1-CB 3.52Å; L256-M329 HydrophobicContact CD1-CG 4.39Å; L256-M329 HydrophobicContact CD1-SD 4.2Å
257K95.6Very high95.3Very high55 Ų5547.4 Ų47.424%0.23928%0.28CS..EExtended strand (participates in β ladder)trans-102.7115.7178.4-67-177167.7-170.90108.5Y246 I247 N248 L362 E366 P368Y246-K257 HydrophobicContact CD1-CB 4.23Å; I247-K257 WeakPolarHBondContact O-CA 3.4Å; N248-K257 WeakPolarHBondContact OD1-CE 3.48Å; K257-L362 HydrophobicContact CB-CD1 4.3Å; K257-L362 HydrophobicContact CD-CD1 3.51Å; K257-L362 HydrophobicContact CG-CD1 3.83Å; K257-E366 WeakPolarHBondContact CD-O 3.39Å; K257-E366 PolarHBondContact NZ-O 3.37Å; K257-E366 IonicContact NZ-OE2 3.16Å; K257-E366 PolarHBondContact NZ-OE2 3.43Å; K257-P368 HydrophobicContact CB-CG 4.19Å
258A96.3Very high95.2Very high0 Ų048.8 Ų48.80%029%0.287CS..EExtended strand (participates in β ladder)trans-97.9124.2-178.100000110.1Y246 I247 L256 M329 L331Y246-A258 CarbonylContact C-O 3.51Å; Y246-A258 VanDerWaalsContact CA-O 3.31Å; Y246-A258 WeakPolarHBondContact CA-O 3.25Å; I247-A258 HydrophobicContact CG1-CB 4.12Å; I247-A258 PolarHBondContact N-O 3.04Å; I247-A258 PolarHBondContact O-N 2.92Å; L256-A258 HydrophobicContact CD1-CB 4.31Å; A258-M329 WeakPolarHBondContact CA-O 3.34Å; A258-M329 HydrophobicContact CB-CB 4.28Å; A258-L331 HydrophobicContact CB-CD1 3.72Å; A258-L331 HydrophobicContact CB-CG 4.05Å
259F96.4Very high95.2Very high21 Ų2145.5 Ų45.59%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-70.2138.7169.2179.7-132.4000109.3M244 L245 Y246 D261 M327 M329 L330 L331M244-F259 HydrophobicContact CB-CE2 4.13Å; M244-F259 HydrophobicContact CE-CE2 3.64Å; M244-F259 HydrophobicContact CE-CZ 3.58Å; L245-F259 VanDerWaalsContact O-CD2 3.31Å; L245-F259 WeakPolarHBondContact O-CD2 3.29Å; Y246-F259 HydrophobicContact CD1-CB 4.09Å; Y246-F259 HydrophobicContact CD2-CD2 4.08Å; Y246-F259 HydrophobicContact CE1-CB 3.63Å; Y246-F259 HydrophobicContact CE1-CG 4.44Å; Y246-F259 HydrophobicContact CE2-CB 4.35Å; Y246-F259 AromaticContact CE2-CD2 3.71Å; Y246-F259 HydrophobicContact CE2-CD2 3.71Å; Y246-F259 HydrophobicContact CE2-CG 4.34Å; Y246-F259 AromaticContact CZ-CD2 3.95Å; F259-D261 HydrophobicContact CD1-CB 4.08Å; F259-D261 HydrophobicContact CE1-CB 3.67Å; F259-D261 HydrophobicContact CZ-CB 4.15Å; F259-M327 HydrophobicContact CB-CE 4.39Å; F259-M327 HydrophobicContact CB-SD 3.53Å; F259-M327 VanDerWaalsContact CB-SD 3.53Å; F259-M327 HydrophobicContact CD1-CE 3.75Å; F259-M327 HydrophobicContact CD1-SD 3.6Å; F259-M327 HydrophobicContact CE1-CE 4.4Å; F259-M327 HydrophobicContact CG-CE 4.23Å; F259-M327 HydrophobicContact CG-SD 3.91Å; F259-M329 PolarHBondContact N-O 3.32Å; F259-L330 HydrophobicContact CD1-CD1 3.93Å; F259-L330 HydrophobicContact CD1-CG 3.9Å; F259-L330 HydrophobicContact CE1-CD1 4.35Å; F259-L331 PolarHBondContact O-N 3.44Å
260V96.8Very high95.1Very high6 Ų645.4 Ų45.44%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-110.6110.6-177.8177.80000109.3L245 I247 L331 L336 I343 L350 F361L245-V260 HydrophobicContact CB-CB 4.16Å; L245-V260 PolarHBondContact O-N 2.83Å; I247-V260 HydrophobicContact CD1-CG2 4.34Å; I247-V260 HydrophobicContact CG1-CG2 4.18Å; I247-V260 HydrophobicContact CG2-CG2 4.06Å; V260-L331 HydrophobicContact CG2-CD1 4.42Å; V260-L336 HydrophobicContact CG1-CD1 4.23Å; V260-L336 HydrophobicContact CG1-CD2 4.14Å; V260-I343 HydrophobicContact CG1-CD1 3.86Å; V260-I343 HydrophobicContact CG1-CG1 4.17Å; V260-L350 HydrophobicContact CG1-CD1 4.46Å; V260-L350 HydrophobicContact CG2-CD2 4.46Å; V260-F361 HydrophobicContact CB-CE1 4.37Å; V260-F361 HydrophobicContact CG1-CE1 4.46Å; V260-F361 HydrophobicContact CG2-CE1 4.22Å
261D95.3Very high95Very high43 Ų4343.1 Ų43.123%0.2326%0.259CS..  trans-131.5109.3-170.7-174.7-11.7000110.9F259 G263 A264 L330 L331 G332F259-D261 HydrophobicContact CD1-CB 4.08Å; F259-D261 HydrophobicContact CE1-CB 3.67Å; F259-D261 HydrophobicContact CZ-CB 4.15Å; D261-G263 WeakPolarHBondContact OD1-CA 3.48Å; D261-G263 PolarHBondContact OD1-N 2.8Å; D261-A264 HydrophobicContact CB-CB 4.03Å; D261-A264 PolarHBondContact OD1-N 2.85Å; D261-A264 WeakPolarHBondContact OD2-CB 3.29Å; D261-L330 HydrophobicContact CB-CD2 4.01Å; D261-L330 HydrophobicContact CB-CG 4.2Å; D261-L331 PolarHBondContact N-O 3.33Å; D261-G332 WeakPolarHBondContact O-CA 3.4Å
262S95Very high94.9Very high72 Ų7246.1 Ų46.150%0.50328%0.284SS..SBendtrans-82.1-11.7175.452.30000114.2
263G93.2Very high95Very high69 Ų6942.3 Ų42.371%0.71126%0.264SS*.SBendtrans-82.9-31173.400000112.5D261 Q265D261-G263 WeakPolarHBondContact OD1-CA 3.48Å; D261-G263 PolarHBondContact OD1-N 2.8Å; G263-Q265 PolarHBondContact O-N 2.9Å
264A91.1Very high95.2Very high21 Ų2139.7 Ų39.717%0.17424%0.237CC..  trans-69.1121.5173.800000112.4D261 M266 L330 G332 L333D261-A264 HydrophobicContact CB-CB 4.03Å; D261-A264 PolarHBondContact OD1-N 2.85Å; D261-A264 WeakPolarHBondContact OD2-CB 3.29Å; A264-M266 VanDerWaalsContact C-N 3.28Å; A264-M266 PolarHBondContact O-N 2.97Å; A264-L330 HydrophobicContact CB-CD1 4.49Å; A264-L330 HydrophobicContact CB-CD2 3.52Å; A264-G332 WeakPolarHBondContact O-CA 3.44Å; A264-L333 WeakPolarHBondContact O-CB 3.49Å; A264-L333 PolarHBondContact O-N 2.68Å
265Q91Very high95.2Very high162 Ų16241.1 Ų41.176%0.75724%0.244SC*.SBendtrans-64.4-30.2177.9-173.5-178.59.400113.4G263 D334G263-Q265 PolarHBondContact O-N 2.9Å; Q265-D334 WeakPolarHBondContact O-CB 3.09Å; Q265-D334 PolarHBondContact O-N 2.85Å
266M91.6Very high95.2Very high76 Ų7641.8 Ų41.837%0.37424%0.235SC..SBendtrans-128.5141.3-169.3-63.9-177.868.900111.9A264 R302 S320A264-M266 VanDerWaalsContact C-N 3.28Å; A264-M266 PolarHBondContact O-N 2.97Å; M266-R302 VanDerWaalsContact CE-NH1 3.28Å; M266-S320 WeakPolarHBondContact CE-OG 3.5Å
267T95.4Very high95.3Very high0 Ų041.5 Ų41.50%023%0.233CC..  trans-77.3135.4169.4-65.20000110.5F319 S320 M329 L330 L331 G332 D334 M335T267-F319 HydrophobicContact CG2-CB 3.66Å; T267-F319 HydrophobicContact CG2-CG 4.46Å; T267-F319 VanDerWaalsContact O-CA 3.31Å; T267-F319 WeakPolarHBondContact O-CA 3.22Å; T267-F319 VanDerWaalsContact O-CB 3.27Å; T267-F319 WeakPolarHBondContact O-CB 3.48Å; T267-S320 PolarHBondContact O-N 3.12Å; T267-S320 VanDerWaalsContact O-N 3.11Å; T267-M329 HydrophobicContact CG2-CE 3.56Å; T267-L330 VanDerWaalsContact CA-O 3.3Å; T267-L330 WeakPolarHBondContact CA-O 3.42Å; T267-L330 VanDerWaalsContact CG2-O 3.25Å; T267-L330 WeakPolarHBondContact CG2-O 3.37Å; T267-L331 HydrophobicContact CG2-CD2 4.1Å; T267-G332 PolarHBondContact OG1-N 2.89Å; T267-D334 VanDerWaalsContact CB-OD1 3.3Å; T267-D334 WeakPolarHBondContact CB-OD1 3.32Å; T267-D334 VanDerWaalsContact N-CG 3.32Å; T267-D334 PolarHBondContact N-OD1 2.8Å; T267-D334 PolarHBondContact N-OD2 3.34Å; T267-D334 PolarHBondContact OG1-OD1 2.81Å; T267-M335 HydrophobicContact CG2-CG 3.98Å; T267-M335 WeakPolarHBondContact OG1-CB 3.28Å; T267-M335 WeakPolarHBondContact OG1-CG 3.43Å
268I95.2Very high95.3Very high29 Ų2943.8 Ų43.815%0.14925%0.249CC..EExtended strand (participates in β ladder)trans-136.2143.3-171.8-54.3177.6000110.9S320 L322 M329 L330I268-S320 WeakPolarHBondContact CA-O 3.34Å; I268-L322 HydrophobicContact CD1-CD1 4.44Å; I268-L322 HydrophobicContact CD1-CD2 4.11Å; I268-L322 HydrophobicContact CG2-CB 4Å; I268-L322 HydrophobicContact CG2-CD1 3.72Å; I268-L322 HydrophobicContact CG2-CD2 4.1Å; I268-L322 HydrophobicContact CG2-CG 4.13Å; I268-M329 CarbonylContact O-C 3.57Å; I268-M329 WeakPolarHBondContact O-CA 3.43Å; I268-M329 WeakPolarHBondContact O-CG 2.99Å; I268-L330 PolarHBondContact N-O 3.45Å; I268-L330 PolarHBondContact O-N 3.06Å
269M96.6Very high95.3Very high0 Ų044 Ų440%025%0.25CC..EExtended strand (participates in β ladder)trans-124.6145170-179.3-178.7-72.500110.3V251 L256 C273 A274 I279 F319 S320 I321 L322 D328 M329V251-M269 HydrophobicContact CB-CE 4.34Å; V251-M269 HydrophobicContact CG1-CE 4.28Å; V251-M269 HydrophobicContact CG2-CE 3.98Å; L256-M269 HydrophobicContact CD2-CE 4.44Å; M269-C273 HydrophobicContact CG-CB 3.72Å; M269-C273 HydrophobicContact SD-CB 4.27Å; M269-A274 HydrophobicContact CG-CB 4.49Å; M269-A274 HydrophobicContact SD-CB 3.94Å; M269-I279 HydrophobicContact CE-CD1 4.28Å; M269-I279 HydrophobicContact SD-CD1 3.71Å; M269-F319 HydrophobicContact CB-CD2 3.83Å; M269-F319 HydrophobicContact CB-CE2 3.96Å; M269-F319 HydrophobicContact CE-CE2 3.75Å; M269-F319 HydrophobicContact CE-CZ 3.82Å; M269-F319 HydrophobicContact SD-CE2 3.83Å; M269-F319 HydrophobicContact SD-CZ 4.38Å; M269-S320 PolarHBondContact N-O 2.9Å; M269-I321 HydrophobicContact CB-CD1 3.91Å; M269-I321 HydrophobicContact CG-CD1 4.42Å; M269-I321 WeakPolarHBondContact O-CA 3.48Å; M269-I321 HydrophobicContact SD-CD1 4.5Å; M269-L322 PolarHBondContact O-N 2.87Å; M269-D328 WeakPolarHBondContact CA-O 3.34Å; M269-D328 WeakPolarHBondContact CG-O 3.5Å; M269-M329 HydrophobicContact CB-CG 4.47Å; M269-M329 HydrophobicContact CE-CE 3.99Å; M269-M329 HydrophobicContact CE-CG 4.49Å; M269-M329 HydrophobicContact CE-SD 3.5Å; M269-M329 VanDerWaalsContact CE-SD 3.5Å
270S95.6Very high95.4Very high6 Ų645.1 Ų45.14%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-72.5152.3174.673.80000111.7A272 C273 A274 L322 D328S270-A272 VanDerWaalsContact C-N 3.3Å; S270-A272 PolarHBondContact O-N 2.92Å; S270-C273 PolarHBondContact O-N 3.22Å; S270-C273 VanDerWaalsContact O-N 3.16Å; S270-C273 WeakPolarHBondContact OG-CB 3.26Å; S270-C273 PolarHBondContact OG-N 3.12Å; S270-C273 VanDerWaalsContact OG-N 3.15Å; S270-A274 PolarHBondContact O-N 3.07Å; S270-L322 CarbonylContact C-O 3.58Å; S270-L322 WeakPolarHBondContact CA-O 3.43Å; S270-D328 PolarHBondContact N-O 3.26Å
271Q95.8Very high95.3Very high42 Ų4253.2 Ų53.220%0.19629%0.286CS..Hα-helixtrans-58.9-43.7176.7179.9176.9-41.700111.1C273 A274 E275 M280 I321 L322Q271-C273 VanDerWaalsContact C-N 3.28Å; Q271-C273 PolarHBondContact O-N 2.93Å; Q271-A274 PolarHBondContact O-N 3.27Å; Q271-A274 VanDerWaalsContact O-N 3.14Å; Q271-E275 HydrophobicContact CG-CG 4.4Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.33Å; Q271-E275 PolarHBondContact NE2-OE1 3.3Å; Q271-E275 WeakPolarHBondContact O-CB 3.38Å; Q271-E275 WeakPolarHBondContact O-CG 3.34Å; Q271-E275 PolarHBondContact O-N 3.41Å; Q271-M280 HydrophobicContact CG-CE 3.83Å; Q271-M280 HydrophobicContact CG-SD 4.45Å; Q271-I321 HydrophobicContact CB-CG2 4.14Å; Q271-L322 PolarHBondContact N-O 3.4Å
272A95.6Very high95.4Very high65 Ų6554.3 Ų54.354%0.53729%0.291SS..Hα-helixtrans-59.8-37.1176.900000112.5S270 R276S270-A272 VanDerWaalsContact C-N 3.3Å; S270-A272 PolarHBondContact O-N 2.92Å; A272-R276 WeakPolarHBondContact O-CB 3.28Å; A272-R276 PolarHBondContact O-N 2.83Å
273C96.4Very high95.5Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-69.4-42.4174-176.20000111.8M269 S270 Q271 E275 R276 C277 D328M269-C273 HydrophobicContact CG-CB 3.72Å; M269-C273 HydrophobicContact SD-CB 4.27Å; S270-C273 PolarHBondContact O-N 3.22Å; S270-C273 VanDerWaalsContact O-N 3.16Å; S270-C273 WeakPolarHBondContact OG-CB 3.26Å; S270-C273 PolarHBondContact OG-N 3.12Å; S270-C273 VanDerWaalsContact OG-N 3.15Å; Q271-C273 VanDerWaalsContact C-N 3.28Å; Q271-C273 PolarHBondContact O-N 2.93Å; C273-E275 VanDerWaalsContact C-N 3.35Å; C273-E275 PolarHBondContact O-N 3.45Å; C273-R276 PolarHBondContact O-N 3.14Å; C273-C277 WeakPolarHBondContact O-CB 3.48Å; C273-C277 PolarHBondContact O-N 2.79Å; C273-C277 PolarHBondContact O-SG 2.81Å; C273-D328 HydrophobicContact CB-CB 4.18Å; C273-D328 WeakPolarHBondContact CB-O 3.46Å
274A96.8Very high95.7Very high0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-66.2-33.8177.700000113.5M269 S270 Q271 N278 I279 M280 I321M269-A274 HydrophobicContact CG-CB 4.49Å; M269-A274 HydrophobicContact SD-CB 3.94Å; S270-A274 PolarHBondContact O-N 3.07Å; Q271-A274 PolarHBondContact O-N 3.27Å; Q271-A274 VanDerWaalsContact O-N 3.14Å; A274-N278 PolarHBondContact O-N 3.37Å; A274-I279 HydrophobicContact CB-CD1 4.33Å; A274-I279 HydrophobicContact CB-CG1 3.98Å; A274-I279 WeakPolarHBondContact O-CG1 3.39Å; A274-I279 PolarHBondContact O-N 2.99Å; A274-M280 HydrophobicContact CB-CG 4.49Å; A274-M280 HydrophobicContact CB-SD 3.74Å; A274-I321 HydrophobicContact CB-CD1 3.96Å; A274-I321 HydrophobicContact CB-CG2 4.36Å
275E96.8Very high95.9Very high102 Ų10255.8 Ų55.848%0.47726%0.263SS..Hα-helixtrans-68-52.1170.1-75.8172.4-17100111.1Q271 C273 C277 N278 M280Q271-E275 HydrophobicContact CG-CG 4.4Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.33Å; Q271-E275 PolarHBondContact NE2-OE1 3.3Å; Q271-E275 WeakPolarHBondContact O-CB 3.38Å; Q271-E275 WeakPolarHBondContact O-CG 3.34Å; Q271-E275 PolarHBondContact O-N 3.41Å; C273-E275 VanDerWaalsContact C-N 3.35Å; C273-E275 PolarHBondContact O-N 3.45Å; E275-C277 VanDerWaalsContact C-N 3.27Å; E275-C277 PolarHBondContact O-N 3.02Å; E275-N278 WeakPolarHBondContact O-CA 3.49Å; E275-N278 PolarHBondContact O-N 2.88Å; E275-M280 HydrophobicContact CB-CG 4.31Å; E275-M280 HydrophobicContact CG-CE 3.97Å; E275-M280 HydrophobicContact CG-CG 3.52Å; E275-M280 HydrophobicContact CG-SD 3.98Å
276R96.8Very high96.1Very high102 Ų10257.9 Ų57.939%0.38526%0.264SS..Hα-helixtrans-59.3-33.8178.4-178.717061.787.2-3.3113.3H254 P255 A272 C273 N278 D328H254-R276 PolarHBondContact CE1-O 3.39Å; H254-R276 PolarHBondContact ND1-O 3.45Å; P255-R276 PolarHBondContact O-NH1 2.78Å; A272-R276 WeakPolarHBondContact O-CB 3.28Å; A272-R276 PolarHBondContact O-N 2.83Å; C273-R276 PolarHBondContact O-N 3.14Å; R276-N278 VanDerWaalsContact C-N 3.31Å; R276-D328 IonicContact CZ-OD1 3.93Å; R276-D328 IonicContact CZ-OD2 3.25Å; R276-D328 IonicContact NH2-OD1 2.75Å; R276-D328 PolarHBondContact NH2-OD1 2.89Å; R276-D328 IonicContact NH2-OD2 3.8Å; R276-D328 PolarHBondContact NH2-OD2 3.35Å
277C97.1Very high96.2Very high0 Ų061.4 Ų61.40%027%0.273CS..THydrogen-bonded Turntrans-83.6-1.2175-60.60000113.6V251 N252 H254 C273 E275 I279V251-C277 HydrophobicContact CB-CB 4.41Å; V251-C277 HydrophobicContact CG1-CB 4.16Å; N252-C277 VanDerWaalsContact CB-O 3.3Å; N252-C277 WeakPolarHBondContact CB-O 3.37Å; N252-C277 PolarHBondContact ND2-O 2.94Å; H254-C277 HydrophobicContact CB-CB 4.44Å; C273-C277 WeakPolarHBondContact O-CB 3.48Å; C273-C277 PolarHBondContact O-N 2.79Å; C273-C277 PolarHBondContact O-SG 2.81Å; E275-C277 VanDerWaalsContact C-N 3.27Å; E275-C277 PolarHBondContact O-N 3.02Å; C277-I279 VanDerWaalsContact C-N 3.31Å; C277-I279 HydrophobicContact CB-CG1 4.37Å; C277-I279 HydrophobicContact CB-CG2 4.34Å; C277-I279 PolarHBondContact O-N 2.92Å
278N96.9Very high96.1Very high104 Ų10464 Ų6456%0.55630%0.295SS*.THydrogen-bonded Turntrans54.341.9-177.3-166.28.4000113.9A274 E275 R276 R281A274-N278 PolarHBondContact O-N 3.37Å; E275-N278 WeakPolarHBondContact O-CA 3.49Å; E275-N278 PolarHBondContact O-N 2.88Å; R276-N278 VanDerWaalsContact C-N 3.31Å; N278-R281 PolarHBondContact O-NE 3.47Å
279I96.8Very high95.8Very high4 Ų464.3 Ų64.32%0.02131%0.306CS..  trans-110.83177.666.5161.3000114.2V251 N252 M269 A274 C277 R281 L282 V303 F319V251-I279 HydrophobicContact CG1-CD1 4.11Å; V251-I279 HydrophobicContact CG1-CG2 4.05Å; N252-I279 HydrophobicContact CB-CG2 3.97Å; M269-I279 HydrophobicContact CE-CD1 4.28Å; M269-I279 HydrophobicContact SD-CD1 3.71Å; A274-I279 HydrophobicContact CB-CD1 4.33Å; A274-I279 HydrophobicContact CB-CG1 3.98Å; A274-I279 WeakPolarHBondContact O-CG1 3.39Å; A274-I279 PolarHBondContact O-N 2.99Å; C277-I279 VanDerWaalsContact C-N 3.31Å; C277-I279 HydrophobicContact CB-CG1 4.37Å; C277-I279 HydrophobicContact CB-CG2 4.34Å; C277-I279 PolarHBondContact O-N 2.92Å; I279-R281 PolarHBondContact O-N 3.25Å; I279-L282 HydrophobicContact CB-CD1 4.21Å; I279-L282 HydrophobicContact CG2-CD1 4.38Å; I279-L282 WeakPolarHBondContact O-CB 3.36Å; I279-L282 PolarHBondContact O-N 3.43Å; I279-V303 HydrophobicContact CD1-CG2 4.41Å; I279-F319 HydrophobicContact CD1-CE2 3.83Å; I279-F319 HydrophobicContact CD1-CZ 3.79Å
280M96.6Very high95.3Very high45 Ų4568.7 Ų68.722%0.22233%0.332CS..G310 helixtrans-54.2-27.9178.6-71.6-63.8-88.400114.1Q271 A274 E275 L282 V283Q271-M280 HydrophobicContact CG-CE 3.83Å; Q271-M280 HydrophobicContact CG-SD 4.45Å; A274-M280 HydrophobicContact CB-CG 4.49Å; A274-M280 HydrophobicContact CB-SD 3.74Å; E275-M280 HydrophobicContact CB-CG 4.31Å; E275-M280 HydrophobicContact CG-CE 3.97Å; E275-M280 HydrophobicContact CG-CG 3.52Å; E275-M280 HydrophobicContact CG-SD 3.98Å; M280-L282 PolarHBondContact O-N 2.93Å; M280-V283 WeakPolarHBondContact O-CB 3.34Å; M280-V283 PolarHBondContact O-N 3.16Å; M280-V283 HydrophobicContact SD-CG2 4.1Å
281R96.4Very high94.3Very high176 Ų17669.9 Ų69.966%0.66434%0.342SS*.G310 helixtrans-61.5-13.1170.666.1-170.5171.189.30.8115.4N278 I279N278-R281 PolarHBondContact O-NE 3.47Å; I279-R281 PolarHBondContact O-N 3.25Å
282L96.3Very high92.9Very high65 Ų6576.8 Ų76.834%0.3437%0.371SS..G310 helixtrans-102.6-1.6178.9-53.1-178.1000112.9I279 M280 D284 V303 A306I279-L282 HydrophobicContact CB-CD1 4.21Å; I279-L282 HydrophobicContact CG2-CD1 4.38Å; I279-L282 WeakPolarHBondContact O-CB 3.36Å; I279-L282 PolarHBondContact O-N 3.43Å; M280-L282 PolarHBondContact O-N 2.93Å; L282-D284 PolarHBondContact O-N 3.49Å; L282-V303 HydrophobicContact CB-CG1 4.21Å; L282-V303 HydrophobicContact CB-CG2 4.45Å; L282-A306 HydrophobicContact CD1-CB 4.44Å
283V97.3Very high91.6Very high16 Ų1676.9 Ų76.910%0.09738%0.379CS..EExtended strand (participates in β ladder)trans-88105-172.3-1770000110.3M280 R285 I300 V303 I321M280-V283 WeakPolarHBondContact O-CB 3.34Å; M280-V283 PolarHBondContact O-N 3.16Å; M280-V283 HydrophobicContact SD-CG2 4.1Å; V283-R285 PolarHBondContact O-N 2.93Å; V283-R285 VanDerWaalsContact O-N 3.11Å; V283-I300 HydrophobicContact CG1-CG2 4.42Å; V283-V303 HydrophobicContact CG2-CG2 3.83Å; V283-I321 HydrophobicContact CB-CG1 4.47Å; V283-I321 HydrophobicContact CG1-CB 4.32Å; V283-I321 HydrophobicContact CG1-CG1 3.87Å; V283-I321 HydrophobicContact CG2-CD1 4.48Å; V283-I321 HydrophobicContact CG2-CG1 3.72Å
284D97.4Very high89.8Confident26 Ų2684.6 Ų84.614%0.13943%0.425CS..EExtended strand (participates in β ladder)trans-7698.8176.5-172.8-4.3000110.6L282 R286 W287 G301 R302 H304L282-D284 PolarHBondContact O-N 3.49Å; D284-R286 PolarHBondContact O-N 2.87Å; D284-R286 VanDerWaalsContact O-N 3.17Å; D284-R286 VanDerWaalsContact OD1-CB 3.24Å; D284-R286 WeakPolarHBondContact OD1-CB 3.47Å; D284-R286 VanDerWaalsContact OD1-CG 3.3Å; D284-R286 WeakPolarHBondContact OD1-CG 3.27Å; D284-R286 IonicContact OD1-CZ 3.4Å; D284-R286 PolarHBondContact OD1-N 3.16Å; D284-R286 VanDerWaalsContact OD1-N 3.08Å; D284-R286 IonicContact OD1-NE 2.7Å; D284-R286 PolarHBondContact OD1-NE 3.01Å; D284-R286 IonicContact OD1-NH2 3.38Å; D284-R286 IonicContact OD2-CZ 2.83Å; D284-R286 IonicContact OD2-NE 3.79Å; D284-R286 PolarHBondContact OD2-NE 3.4Å; D284-R286 IonicContact OD2-NH2 3.36Å; D284-R286 PolarHBondContact OD2-NH2 3.47Å; D284-W287 PolarHBondContact O-N 3.33Å; D284-W287 VanDerWaalsContact O-N 3.13Å; D284-G301 VanDerWaalsContact O-CA 3.26Å; D284-G301 WeakPolarHBondContact O-CA 3.43Å; D284-R302 WeakPolarHBondContact CB-O 3.35Å; D284-R302 PolarHBondContact N-O 3.39Å; D284-R302 PolarHBondContact O-N 2.67Å; D284-R302 VanDerWaalsContact O-N 3.12Å; D284-H304 VanDerWaalsContact CB-NE2 3.31Å; D284-H304 WeakPolarHBondContact CB-NE2 3.45Å; D284-H304 IonicContact OD2-CD2 2.82Å; D284-H304 IonicContact OD2-CE1 2.99Å; D284-H304 IonicContact OD2-NE2 2.72Å; D284-H304 PolarHBondContact OD2-NE2 3.5Å
285R96.3Very high88.5Confident151 Ų15186.9 Ų86.957%0.5745%0.449SS*.G310 helixtrans-66.4-8.5179.3-63.2-176.4179.9-90.94.1114V283 W287 A288V283-R285 PolarHBondContact O-N 2.93Å; V283-R285 VanDerWaalsContact O-N 3.11Å; R285-W287 PolarHBondContact O-N 2.93Å; R285-A288 WeakPolarHBondContact O-CB 3.37Å; R285-A288 PolarHBondContact O-N 2.81Å; R285-A288 VanDerWaalsContact O-N 3.13Å
286R95.1Very high87.5Confident207 Ų20787 Ų8778%0.78146%0.457SS*.G310 helixtrans-67.9-16.7170.3-58175.4-62.6167.55112.4D284D284-R286 PolarHBondContact O-N 2.87Å; D284-R286 VanDerWaalsContact O-N 3.17Å; D284-R286 VanDerWaalsContact OD1-CB 3.24Å; D284-R286 WeakPolarHBondContact OD1-CB 3.47Å; D284-R286 VanDerWaalsContact OD1-CG 3.3Å; D284-R286 WeakPolarHBondContact OD1-CG 3.27Å; D284-R286 IonicContact OD1-CZ 3.4Å; D284-R286 PolarHBondContact OD1-N 3.16Å; D284-R286 VanDerWaalsContact OD1-N 3.08Å; D284-R286 IonicContact OD1-NE 2.7Å; D284-R286 PolarHBondContact OD1-NE 3.01Å; D284-R286 IonicContact OD1-NH2 3.38Å; D284-R286 IonicContact OD2-CZ 2.83Å; D284-R286 IonicContact OD2-NE 3.79Å; D284-R286 PolarHBondContact OD2-NE 3.4Å; D284-R286 IonicContact OD2-NH2 3.36Å; D284-R286 PolarHBondContact OD2-NH2 3.47Å
287W93.4Very high86.8Confident149 Ų14985.7 Ų85.756%0.56446%0.455SS*.G310 helixtrans-99.820.2173.7-63.375.9000112.2D284 R285 I299 R302 H304D284-W287 PolarHBondContact O-N 3.33Å; D284-W287 VanDerWaalsContact O-N 3.13Å; R285-W287 PolarHBondContact O-N 2.93Å; W287-I299 WeakPolarHBondContact O-CG2 3.27Å; W287-R302 HydrophobicContact CB-CB 3.66Å; W287-R302 HydrophobicContact CG-CB 4.02Å; W287-H304 AromaticContact CD1-CE1 3.54Å; W287-H304 AromaticContact CD1-NE2 3.81Å; W287-H304 AromaticContact CE2-CE1 3.76Å; W287-H304 AromaticContact NE1-CE1 3.32Å; W287-H304 PolarHBondContact NE1-CE1 3.06Å; W287-H304 VanDerWaalsContact NE1-CE1 3.32Å; W287-H304 AromaticContact NE1-NE2 3.64Å
288A92.4Very high86.5Confident55 Ų5591.6 Ų91.646%0.45548%0.478SS..  trans-68.3152.7168.200000110.8R285 I299R285-A288 WeakPolarHBondContact O-CB 3.37Å; R285-A288 PolarHBondContact O-N 2.81Å; R285-A288 VanDerWaalsContact O-N 3.13Å; A288-I299 VanDerWaalsContact CA-O 3.24Å; A288-I299 WeakPolarHBondContact CA-O 3.32Å; A288-I299 WeakPolarHBondContact CB-O 3.5Å
289G89.5Confident86.4Confident36 Ų3688 Ų8837%0.37146%0.458SS..EExtended strand (participates in β ladder)trans171-157.1-174.500000112.6I299G289-I299 PolarHBondContact N-O 2.73Å; G289-I299 VanDerWaalsContact N-O 3.08Å; G289-I299 PolarHBondContact O-N 2.99Å
290V85.3Confident86.4Confident92 Ų9288 Ų8856%0.55846%0.458SS*.EExtended strand (participates in β ladder)trans-124120176.5-178.80000108.8T296 Q297V290-T296 HydrophobicContact CG1-CG2 4.1Å; V290-Q297 WeakPolarHBondContact CA-O 3.36Å
291A75.8Confident86.3Confident30 Ų3085.9 Ų85.925%0.24845%0.447CS..EExtended strand (participates in β ladder)trans-72.4127.1168.100000108.3T296 Q297 I299 L322A291-T296 WeakPolarHBondContact O-CA 3.38Å; A291-Q297 PolarHBondContact N-O 2.76Å; A291-Q297 PolarHBondContact O-N 3.36Å; A291-Q297 VanDerWaalsContact O-N 3.11Å; A291-I299 HydrophobicContact CB-CD1 4.04Å; A291-I299 HydrophobicContact CB-CG1 3.96Å; A291-L322 HydrophobicContact CB-CD2 4.27Å
292K66.8Low86.3Confident188 Ų18879 Ų7982%0.81742%0.422SS*.EExtended strand (participates in β ladder)trans-107.2121.2170.1-67.8-174175.9-174.20108.2T296K292-T296 HydrophobicContact CG-CG2 4.32Å
293G67.8Low86.4Confident67 Ų6776 Ų7669%0.69141%0.405SS*.SBendtrans-161.2-126.8179.800000109.3G295G293-G295 CarbonylContact C-O 3.55Å; G293-G295 PolarHBondContact N-O 3.4Å; G293-G295 PolarHBondContact O-N 3.24Å
294V57.8Low86.3Confident161 Ų16179.3 Ų79.398%0.97642%0.42SS*.SBendtrans-75.164.7170.1-165.10000109.6
295G69.3Low86.2Confident48 Ų4882.8 Ų82.850%0.49544%0.438SS..SBendtrans112-175.5-169.100000113.7G293G293-G295 CarbonylContact C-O 3.55Å; G293-G295 PolarHBondContact N-O 3.4Å; G293-G295 PolarHBondContact O-N 3.24Å
296T76.4Confident86.1Confident106 Ų10676.1 Ų76.165%0.6542%0.415SS*.EExtended strand (participates in β ladder)trans-117119.1174.544.80000110.6V290 A291 K292V290-T296 HydrophobicContact CG1-CG2 4.1Å; A291-T296 WeakPolarHBondContact O-CA 3.38Å; K292-T296 HydrophobicContact CG-CG2 4.32Å
297Q82.9Confident86.2Confident74 Ų7471.4 Ų71.435%0.34640%0.402SS..EExtended strand (participates in β ladder)trans-124.3148.1179.3-64.9-175.616.500111.3V290 A291 L322 D324V290-Q297 WeakPolarHBondContact CA-O 3.36Å; A291-Q297 PolarHBondContact N-O 2.76Å; A291-Q297 PolarHBondContact O-N 3.36Å; A291-Q297 VanDerWaalsContact O-N 3.11Å; Q297-L322 HydrophobicContact CB-CD2 3.8Å; Q297-L322 HydrophobicContact CB-CG 4.41Å; Q297-D324 PolarHBondContact OE1-O 3.46Å
298R91.3Very high86.3Confident124 Ų12464.3 Ų64.347%0.46838%0.375SS..EExtended strand (participates in β ladder)trans-84.3122.2-175.1-166168.573.198.3-8.5111.5L322 E323R298-L322 WeakPolarHBondContact O-CA 3.4Å; R298-E323 IonicContact CZ-OE1 3.32Å; R298-E323 IonicContact CZ-OE2 3.55Å; R298-E323 IonicContact NE-OE1 2.69Å; R298-E323 IonicContact NE-OE2 3.79Å; R298-E323 PolarHBondContact NE-OE2 2.86Å; R298-E323 IonicContact NH2-OE1 3.83Å; R298-E323 PolarHBondContact NH2-OE1 3.44Å; R298-E323 IonicContact NH2-OE2 3.81Å; R298-E323 PolarHBondContact NH2-OE2 2.98Å; R298-E323 PolarHBondContact O-N 3.49Å; R298-E323 VanDerWaalsContact O-N 3.16Å
299I93.9Very high86.6Confident29 Ų2963.5 Ų63.515%0.14936%0.362CS..EExtended strand (participates in β ladder)trans-84.5120.1172.4-51.2173.7000108W287 A288 G289 A291 I321 L322W287-I299 WeakPolarHBondContact O-CG2 3.27Å; A288-I299 VanDerWaalsContact CA-O 3.24Å; A288-I299 WeakPolarHBondContact CA-O 3.32Å; A288-I299 WeakPolarHBondContact CB-O 3.5Å; G289-I299 PolarHBondContact N-O 2.73Å; G289-I299 VanDerWaalsContact N-O 3.08Å; G289-I299 PolarHBondContact O-N 2.99Å; A291-I299 HydrophobicContact CB-CD1 4.04Å; A291-I299 HydrophobicContact CB-CG1 3.96Å; I299-I321 CarbonylContact C-O 3.55Å; I299-I321 WeakPolarHBondContact CA-O 3.45Å; I299-L322 HydrophobicContact CB-CD1 4.3Å; I299-L322 HydrophobicContact CG1-CD1 3.79Å; I299-L322 HydrophobicContact CG1-CG 4.49Å; I299-L322 HydrophobicContact CG2-CD1 4.34Å
300I95.6Very high86.9Confident3 Ų362 Ų622%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-77.2-30.8177.8-59.7-60.3000111.8V283 I321 E323V283-I300 HydrophobicContact CG1-CG2 4.42Å; I300-I321 HydrophobicContact CB-CB 4.21Å; I300-I321 HydrophobicContact CB-CG2 4.05Å; I300-I321 HydrophobicContact CG1-CG2 4.33Å; I300-I321 PolarHBondContact N-O 2.73Å; I300-E323 HydrophobicContact CD1-CB 3.98Å; I300-E323 HydrophobicContact CD1-CG 4.45Å; I300-E323 HydrophobicContact CG1-CB 4.24Å
301G95.9Very high87.4Confident0 Ų062.7 Ų62.70%034%0.343CS..EExtended strand (participates in β ladder)trans162.3-169.5179.700000111.4D284 I321D284-G301 VanDerWaalsContact O-CA 3.26Å; D284-G301 WeakPolarHBondContact O-CA 3.43Å; G301-I321 PolarHBondContact O-N 2.92Å
302R96.4Very high88.2Confident33 Ų3363.9 Ų63.913%0.12536%0.358CS..EExtended strand (participates in β ladder)trans-125.8138.9177.7-169.4170.5-178.179-1.4112.2M266 D284 W287 S318 F319 S320M266-R302 VanDerWaalsContact CE-NH1 3.28Å; D284-R302 WeakPolarHBondContact CB-O 3.35Å; D284-R302 PolarHBondContact N-O 3.39Å; D284-R302 PolarHBondContact O-N 2.67Å; D284-R302 VanDerWaalsContact O-N 3.12Å; W287-R302 HydrophobicContact CB-CB 3.66Å; W287-R302 HydrophobicContact CG-CB 4.02Å; R302-S318 PolarHBondContact NH2-O 3.45Å; R302-S318 PolarHBondContact NH2-OG 2.88Å; R302-F319 WeakPolarHBondContact CG-O 3.46Å; R302-S320 PolarHBondContact NH1-OG 3.2Å
303V97.5Very high89.6Confident0 Ų056.9 Ų56.90%033%0.329CS..EExtended strand (participates in β ladder)trans-91.4111.3165.81780000107.7I279 L282 V283 A306 S318 F319 I321I279-V303 HydrophobicContact CD1-CG2 4.41Å; L282-V303 HydrophobicContact CB-CG1 4.21Å; L282-V303 HydrophobicContact CB-CG2 4.45Å; V283-V303 HydrophobicContact CG2-CG2 3.83Å; V303-A306 HydrophobicContact CG1-CB 3.7Å; V303-S318 CarbonylContact O-C 3.58Å; V303-S318 VanDerWaalsContact O-CA 3.29Å; V303-S318 WeakPolarHBondContact O-CA 3.41Å; V303-F319 HydrophobicContact CB-CD2 4.08Å; V303-F319 HydrophobicContact CB-CE2 3.88Å; V303-F319 HydrophobicContact CB-CZ 4.16Å; V303-F319 HydrophobicContact CG1-CE1 4.37Å; V303-F319 HydrophobicContact CG1-CE2 4.26Å; V303-F319 HydrophobicContact CG1-CZ 4.03Å; V303-F319 HydrophobicContact CG2-CD2 4.28Å; V303-F319 HydrophobicContact CG2-CE2 3.83Å; V303-F319 HydrophobicContact CG2-CZ 4.38Å; V303-F319 PolarHBondContact N-O 2.85Å; V303-F319 PolarHBondContact O-N 3.4Å; V303-I321 HydrophobicContact CG2-CD1 3.99Å; V303-I321 HydrophobicContact CG2-CG1 4.17Å
304H95.8Very high90.9Very high87 Ų8759 Ų5940%0.40332%0.319SS..EExtended strand (participates in β ladder)trans-73.7-32.7-175.4-63.1-46.2000113.4D284 W287 S318D284-H304 VanDerWaalsContact CB-NE2 3.31Å; D284-H304 WeakPolarHBondContact CB-NE2 3.45Å; D284-H304 IonicContact OD2-CD2 2.82Å; D284-H304 IonicContact OD2-CE1 2.99Å; D284-H304 IonicContact OD2-NE2 2.72Å; D284-H304 PolarHBondContact OD2-NE2 3.5Å; W287-H304 AromaticContact CD1-CE1 3.54Å; W287-H304 AromaticContact CD1-NE2 3.81Å; W287-H304 AromaticContact CE2-CE1 3.76Å; W287-H304 AromaticContact NE1-CE1 3.32Å; W287-H304 PolarHBondContact NE1-CE1 3.06Å; W287-H304 VanDerWaalsContact NE1-CE1 3.32Å; W287-H304 AromaticContact NE1-NE2 3.64Å; H304-S318 WeakPolarHBondContact O-CB 3.22Å
305L94.4Very high92.7Very high98 Ų9851.9 Ų51.951%0.51328%0.276SS..EExtended strand (participates in β ladder)trans-155.3119.1178.4-173.464.7000110Q316 C317L305-Q316 HydrophobicContact CD1-CB 3.76Å; L305-Q316 HydrophobicContact CD1-CG 4.02Å; L305-C317 WeakPolarHBondContact CA-O 3.27Å
306A95.6Very high94Very high11 Ų1154.2 Ų54.29%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-141.9159.6166.200000109.9L282 V303 C317 F319L282-A306 HydrophobicContact CD1-CB 4.44Å; V303-A306 HydrophobicContact CG1-CB 3.7Å; A306-C317 PolarHBondContact N-O 2.85Å; A306-C317 PolarHBondContact O-N 3.47Å; A306-F319 HydrophobicContact CB-CE1 3.95Å; A306-F319 HydrophobicContact CB-CZ 4.03Å
307Q95.9Very high94.9Very high108 Ų10849.3 Ų49.351%0.50524%0.244SC..EExtended strand (participates in β ladder)trans-92.5122.3174.5-73.1176-53.600110.2F314 L315Q307-F314 HydrophobicContact CB-CB 4.26Å; Q307-F314 HydrophobicContact CB-CD1 4.3Å; Q307-F314 HydrophobicContact CG-CB 4.23Å; Q307-L315 WeakPolarHBondContact CA-O 3.48Å
308I96.9Very high95.5Very high1 Ų147.1 Ų47.11%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-96.4119.3164.6-53.2179.2000106.7C249 V251 I310 L315 C317 F319 M329 L331C249-I308 HydrophobicContact CB-CG2 3.94Å; V251-I308 HydrophobicContact CG2-CB 4.37Å; V251-I308 HydrophobicContact CG2-CG1 4.02Å; V251-I308 HydrophobicContact CG2-CG2 4.28Å; I308-I310 HydrophobicContact CG2-CG1 4.28Å; I308-L315 PolarHBondContact N-O 2.95Å; I308-L315 PolarHBondContact O-N 3.12Å; I308-C317 HydrophobicContact CD1-CB 3.63Å; I308-C317 HydrophobicContact CG1-CB 3.95Å; I308-F319 HydrophobicContact CD1-CE1 4.47Å; I308-F319 HydrophobicContact CG1-CE1 4.46Å; I308-M329 HydrophobicContact CD1-CE 3.44Å; I308-M329 VanDerWaalsContact CD1-CE 3.44Å; I308-M329 HydrophobicContact CD1-SD 3.99Å; I308-M329 HydrophobicContact CG1-CE 4.4Å; I308-L331 HydrophobicContact CD1-CD2 3.96Å
309Q97.8Very high95.7Very high37 Ų3741.2 Ų41.217%0.17321%0.214CC..EExtended strand (participates in β ladder)trans-84123.5174.1-176-176.5-6.100110C249 K250 E311 D313 F314C249-Q309 CarbonylContact C-O 3.54Å; C249-Q309 VanDerWaalsContact CA-O 3.29Å; C249-Q309 WeakPolarHBondContact CA-O 3.47Å; C249-Q309 VanDerWaalsContact CB-O 3.28Å; C249-Q309 WeakPolarHBondContact CB-O 3.34Å; K250-Q309 HydrophobicContact CB-CB 4.17Å; K250-Q309 PolarHBondContact N-O 2.97Å; K250-Q309 PolarHBondContact O-N 2.93Å; Q309-E311 WeakPolarHBondContact CG-O 3.42Å; Q309-E311 PolarHBondContact NE2-O 2.83Å; Q309-D313 CarbonylContact C-O 3.56Å; Q309-D313 WeakPolarHBondContact CA-O 3.32Å; Q309-F314 HydrophobicContact CB-CD1 3.99Å; Q309-F314 HydrophobicContact CB-CE1 3.84Å; Q309-F314 HydrophobicContact CB-CZ 4.42Å; Q309-F314 HydrophobicContact CG-CD1 4.29Å; Q309-F314 HydrophobicContact CG-CE1 3.9Å; Q309-F314 HydrophobicContact CG-CE2 4.4Å; Q309-F314 HydrophobicContact CG-CZ 3.96Å
310I96.6Very high95.8Very high4 Ų440.2 Ų40.22%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-121.7119.8170.1-58.5-178.3000107I247 C249 I308 G312 D313 L315 I352 T359I247-I310 HydrophobicContact CD1-CD1 3.84Å; C249-I310 HydrophobicContact CB-CG1 4.06Å; I308-I310 HydrophobicContact CG2-CG1 4.28Å; I310-G312 PolarHBondContact O-N 2.95Å; I310-D313 PolarHBondContact N-O 2.93Å; I310-D313 PolarHBondContact O-N 3.37Å; I310-L315 HydrophobicContact CD1-CD1 3.81Å; I310-L315 HydrophobicContact CG1-CD1 4.41Å; I310-I352 HydrophobicContact CD1-CD1 4Å; I310-T359 HydrophobicContact CG2-CG2 3.64Å
311E95.7Very high95.9Very high108 Ų10840 Ų4051%0.50521%0.209SC..THydrogen-bonded Turntrans48.2-109.7-165.6-52.1-50.7145.800112.4Q309 T357 T359Q309-E311 WeakPolarHBondContact CG-O 3.42Å; Q309-E311 PolarHBondContact NE2-O 2.83Å; E311-T357 HydrophobicContact CB-CG2 4.02Å; E311-T357 HydrophobicContact CG-CG2 4.1Å; E311-T359 VanDerWaalsContact OE1-CB 3.24Å; E311-T359 WeakPolarHBondContact OE1-CB 3.49Å; E311-T359 PolarHBondContact OE1-OG1 3.4Å
312G92.3Very high95.8Very high55 Ų5540.2 Ų40.257%0.56721%0.21SC*.THydrogen-bonded Turntrans-95.7-11.8175.600000115.4I310 F314I310-G312 PolarHBondContact O-N 2.95Å; G312-F314 WeakPolarHBondContact O-CD2 3.33Å; G312-F314 WeakPolarHBondContact O-CE2 3.37Å
313D95.1Very high95.5Very high41 Ų4141.9 Ų41.922%0.21922%0.219CC..EExtended strand (participates in β ladder)trans-93.1143-170.9-73.6-23.9000112.7Q309 I310 L315 T355 T357Q309-D313 CarbonylContact C-O 3.56Å; Q309-D313 WeakPolarHBondContact CA-O 3.32Å; I310-D313 PolarHBondContact N-O 2.93Å; I310-D313 PolarHBondContact O-N 3.37Å; D313-L315 HydrophobicContact CB-CD2 4.25Å; D313-T355 WeakPolarHBondContact OD2-CB 3.37Å; D313-T355 WeakPolarHBondContact OD2-CG2 3.45Å; D313-T355 PolarHBondContact OD2-OG1 3.24Å; D313-T357 WeakPolarHBondContact OD2-CB 3.37Å; D313-T357 PolarHBondContact OD2-OG1 3.43Å
314F96.6Very high94.9Very high110 Ų11047.9 Ų47.948%0.48225%0.251SS..EExtended strand (participates in β ladder)trans-111.389.8-179-67.9-93.5000111.4Q307 Q309 G312Q307-F314 HydrophobicContact CB-CB 4.26Å; Q307-F314 HydrophobicContact CB-CD1 4.3Å; Q307-F314 HydrophobicContact CG-CB 4.23Å; Q309-F314 HydrophobicContact CB-CD1 3.99Å; Q309-F314 HydrophobicContact CB-CE1 3.84Å; Q309-F314 HydrophobicContact CB-CZ 4.42Å; Q309-F314 HydrophobicContact CG-CD1 4.29Å; Q309-F314 HydrophobicContact CG-CE1 3.9Å; Q309-F314 HydrophobicContact CG-CE2 4.4Å; Q309-F314 HydrophobicContact CG-CZ 3.96Å; G312-F314 WeakPolarHBondContact O-CD2 3.33Å; G312-F314 WeakPolarHBondContact O-CE2 3.37Å
315L95.6Very high94.3Very high12 Ų1245 Ų456%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-78.2126.2-174.4-54.5-172.3000111.8Q307 I308 I310 D313 C317 H339 I352Q307-L315 WeakPolarHBondContact CA-O 3.48Å; I308-L315 PolarHBondContact N-O 2.95Å; I308-L315 PolarHBondContact O-N 3.12Å; I310-L315 HydrophobicContact CD1-CD1 3.81Å; I310-L315 HydrophobicContact CG1-CD1 4.41Å; D313-L315 HydrophobicContact CB-CD2 4.25Å; L315-C317 PolarHBondContact O-N 3.27Å; L315-H339 HydrophobicContact CD1-CB 4.45Å; L315-I352 HydrophobicContact CD1-CD1 3.97Å; L315-I352 HydrophobicContact CD1-CG1 4.25Å; L315-I352 HydrophobicContact CD1-CG2 3.87Å; L315-I352 HydrophobicContact CD2-CG2 3.92Å
316Q95.7Very high93.9Very high97 Ų9744.6 Ų44.645%0.45324%0.241SC..EExtended strand (participates in β ladder)trans-77.9102.2177.6-77.7-1712.500111.4L305 R338 H339L305-Q316 HydrophobicContact CD1-CB 3.76Å; L305-Q316 HydrophobicContact CD1-CG 4.02Å; Q316-R338 PolarHBondContact O-NE 3.18Å; Q316-H339 PolarHBondContact O-CE1 3.35Å; Q316-H339 PolarHBondContact O-NE2 3.36Å
317C95Very high93.6Very high4 Ų445.3 Ų45.33%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-118.5156.1-173.8-63.60000112.6L305 A306 I308 L315 F319 M335 H339L305-C317 WeakPolarHBondContact CA-O 3.27Å; A306-C317 PolarHBondContact N-O 2.85Å; A306-C317 PolarHBondContact O-N 3.47Å; I308-C317 HydrophobicContact CD1-CB 3.63Å; I308-C317 HydrophobicContact CG1-CB 3.95Å; L315-C317 PolarHBondContact O-N 3.27Å; C317-F319 HydrophobicContact CB-CD1 4.35Å; C317-M335 VanDerWaalsContact CA-SD 3.51Å; C317-M335 HydrophobicContact CB-CG 4.13Å; C317-M335 HydrophobicContact CB-SD 3.57Å; C317-M335 VanDerWaalsContact CB-SD 3.57Å; C317-H339 PolarHBondContact SG-NE2 3.32Å; C317-H339 VanDerWaalsContact SG-NE2 3.35Å
318S95.7Very high93.5Very high27 Ų2742.4 Ų42.419%0.18923%0.231CC..EExtended strand (participates in β ladder)trans-128.6131.9174.372.70000108.9R302 V303 H304 M335R302-S318 PolarHBondContact NH2-O 3.45Å; R302-S318 PolarHBondContact NH2-OG 2.88Å; V303-S318 CarbonylContact O-C 3.58Å; V303-S318 VanDerWaalsContact O-CA 3.29Å; V303-S318 WeakPolarHBondContact O-CA 3.41Å; H304-S318 WeakPolarHBondContact O-CB 3.22Å; S318-M335 PolarHBondContact N-SD 2.69Å; S318-M335 VanDerWaalsContact N-SD 3.42Å
319F96.5Very high93.4Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-150.5151.8-171.648.4-95.1000112.5T267 M269 I279 R302 V303 A306 I308 C317 I321 M329T267-F319 HydrophobicContact CG2-CB 3.66Å; T267-F319 HydrophobicContact CG2-CG 4.46Å; T267-F319 VanDerWaalsContact O-CA 3.31Å; T267-F319 WeakPolarHBondContact O-CA 3.22Å; T267-F319 VanDerWaalsContact O-CB 3.27Å; T267-F319 WeakPolarHBondContact O-CB 3.48Å; M269-F319 HydrophobicContact CB-CD2 3.83Å; M269-F319 HydrophobicContact CB-CE2 3.96Å; M269-F319 HydrophobicContact CE-CE2 3.75Å; M269-F319 HydrophobicContact CE-CZ 3.82Å; M269-F319 HydrophobicContact SD-CE2 3.83Å; M269-F319 HydrophobicContact SD-CZ 4.38Å; I279-F319 HydrophobicContact CD1-CE2 3.83Å; I279-F319 HydrophobicContact CD1-CZ 3.79Å; R302-F319 WeakPolarHBondContact CG-O 3.46Å; V303-F319 HydrophobicContact CB-CD2 4.08Å; V303-F319 HydrophobicContact CB-CE2 3.88Å; V303-F319 HydrophobicContact CB-CZ 4.16Å; V303-F319 HydrophobicContact CG1-CE1 4.37Å; V303-F319 HydrophobicContact CG1-CE2 4.26Å; V303-F319 HydrophobicContact CG1-CZ 4.03Å; V303-F319 HydrophobicContact CG2-CD2 4.28Å; V303-F319 HydrophobicContact CG2-CE2 3.83Å; V303-F319 HydrophobicContact CG2-CZ 4.38Å; V303-F319 PolarHBondContact N-O 2.85Å; V303-F319 PolarHBondContact O-N 3.4Å; A306-F319 HydrophobicContact CB-CE1 3.95Å; A306-F319 HydrophobicContact CB-CZ 4.03Å; I308-F319 HydrophobicContact CD1-CE1 4.47Å; I308-F319 HydrophobicContact CG1-CE1 4.46Å; C317-F319 HydrophobicContact CB-CD1 4.35Å; F319-I321 HydrophobicContact CD2-CD1 3.86Å; F319-I321 HydrophobicContact CE2-CD1 3.87Å; F319-M329 HydrophobicContact CB-CE 4.27Å; F319-M329 HydrophobicContact CD1-CE 3.66Å; F319-M329 HydrophobicContact CD2-CE 4.22Å; F319-M329 HydrophobicContact CE1-CE 3.95Å; F319-M329 HydrophobicContact CE2-CE 4.47Å; F319-M329 HydrophobicContact CG-CE 3.81Å; F319-M329 HydrophobicContact CZ-CE 4.35Å
320S95.8Very high93.3Very high8 Ų841.5 Ų41.56%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-85.1150.1175.6-65.50000110.5M266 T267 I268 M269 R302M266-S320 WeakPolarHBondContact CE-OG 3.5Å; T267-S320 PolarHBondContact O-N 3.12Å; T267-S320 VanDerWaalsContact O-N 3.11Å; I268-S320 WeakPolarHBondContact CA-O 3.34Å; M269-S320 PolarHBondContact N-O 2.9Å; R302-S320 PolarHBondContact NH1-OG 3.2Å
321I96.4Very high93.3Very high0 Ų041.8 Ų41.80%023%0.229CC..EExtended strand (participates in β ladder)trans-102.4122.5172.4-53.1-52.7000108.8M269 Q271 A274 V283 I299 I300 G301 V303 F319M269-I321 HydrophobicContact CB-CD1 3.91Å; M269-I321 HydrophobicContact CG-CD1 4.42Å; M269-I321 WeakPolarHBondContact O-CA 3.48Å; M269-I321 HydrophobicContact SD-CD1 4.5Å; Q271-I321 HydrophobicContact CB-CG2 4.14Å; A274-I321 HydrophobicContact CB-CD1 3.96Å; A274-I321 HydrophobicContact CB-CG2 4.36Å; V283-I321 HydrophobicContact CB-CG1 4.47Å; V283-I321 HydrophobicContact CG1-CB 4.32Å; V283-I321 HydrophobicContact CG1-CG1 3.87Å; V283-I321 HydrophobicContact CG2-CD1 4.48Å; V283-I321 HydrophobicContact CG2-CG1 3.72Å; I299-I321 CarbonylContact C-O 3.55Å; I299-I321 WeakPolarHBondContact CA-O 3.45Å; I300-I321 HydrophobicContact CB-CB 4.21Å; I300-I321 HydrophobicContact CB-CG2 4.05Å; I300-I321 HydrophobicContact CG1-CG2 4.33Å; I300-I321 PolarHBondContact N-O 2.73Å; G301-I321 PolarHBondContact O-N 2.92Å; V303-I321 HydrophobicContact CG2-CD1 3.99Å; V303-I321 HydrophobicContact CG2-CG1 4.17Å; F319-I321 HydrophobicContact CD2-CD1 3.86Å; F319-I321 HydrophobicContact CE2-CD1 3.87Å
322L94.6Very high93.3Very high4 Ų436.7 Ų36.72%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-107150.3172.7-89.959.4000110.2I268 M269 S270 Q271 A291 Q297 R298 I299I268-L322 HydrophobicContact CD1-CD1 4.44Å; I268-L322 HydrophobicContact CD1-CD2 4.11Å; I268-L322 HydrophobicContact CG2-CB 4Å; I268-L322 HydrophobicContact CG2-CD1 3.72Å; I268-L322 HydrophobicContact CG2-CD2 4.1Å; I268-L322 HydrophobicContact CG2-CG 4.13Å; M269-L322 PolarHBondContact O-N 2.87Å; S270-L322 CarbonylContact C-O 3.58Å; S270-L322 WeakPolarHBondContact CA-O 3.43Å; Q271-L322 PolarHBondContact N-O 3.4Å; A291-L322 HydrophobicContact CB-CD2 4.27Å; Q297-L322 HydrophobicContact CB-CD2 3.8Å; Q297-L322 HydrophobicContact CB-CG 4.41Å; R298-L322 WeakPolarHBondContact O-CA 3.4Å; I299-L322 HydrophobicContact CB-CD1 4.3Å; I299-L322 HydrophobicContact CG1-CD1 3.79Å; I299-L322 HydrophobicContact CG1-CG 4.49Å; I299-L322 HydrophobicContact CG2-CD1 4.34Å
323E90Very high93.5Very high67 Ų6738 Ų3831%0.31320%0.199SC..SBendtrans-70.3-77.6179.5-171.2163.2-137.200111.2R298 I300 Q325R298-E323 IonicContact CZ-OE1 3.32Å; R298-E323 IonicContact CZ-OE2 3.55Å; R298-E323 IonicContact NE-OE1 2.69Å; R298-E323 IonicContact NE-OE2 3.79Å; R298-E323 PolarHBondContact NE-OE2 2.86Å; R298-E323 IonicContact NH2-OE1 3.83Å; R298-E323 PolarHBondContact NH2-OE1 3.44Å; R298-E323 IonicContact NH2-OE2 3.81Å; R298-E323 PolarHBondContact NH2-OE2 2.98Å; R298-E323 PolarHBondContact O-N 3.49Å; R298-E323 VanDerWaalsContact O-N 3.16Å; I300-E323 HydrophobicContact CD1-CB 3.98Å; I300-E323 HydrophobicContact CD1-CG 4.45Å; I300-E323 HydrophobicContact CG1-CB 4.24Å; E323-Q325 PolarHBondContact O-N 3.01Å
324D84.5Confident93.5Very high126 Ų12638 Ų3867%0.67420%0.199SC*.SBendtrans-91.679.5-174.9-56-64.3000111.6Q297Q297-D324 PolarHBondContact OE1-O 3.46Å
325Q83Confident93.4Very high26 Ų2633.2 Ų33.212%0.12118%0.178CC..  trans-116.6126.5172.2-175.5-177.9-90.400110E323 M327E323-Q325 PolarHBondContact O-N 3.01Å; Q325-M327 VanDerWaalsContact C-N 3.29Å; Q325-M327 HydrophobicContact CG-CG 3.89Å; Q325-M327 PolarHBondContact NE2-O 3.36Å; Q325-M327 PolarHBondContact O-N 2.9Å
326P85.6Confident93.5Very high90 Ų9033.3 Ų33.358%0.58418%0.179SC*.SBendtrans-72.9-18.5-173.529.3-36.5000114C370P326-C370 HydrophobicContact CB-CB 3.99Å; P326-C370 PolarHBondContact O-SG 3.22Å
327M90.1Very high93.6Very high26 Ų2638.7 Ų38.713%0.12820%0.195CC..SBendtrans-107150.2176.963.4-175.272.400111.2F259 Q325 M329 L330F259-M327 HydrophobicContact CB-CE 4.39Å; F259-M327 HydrophobicContact CB-SD 3.53Å; F259-M327 VanDerWaalsContact CB-SD 3.53Å; F259-M327 HydrophobicContact CD1-CE 3.75Å; F259-M327 HydrophobicContact CD1-SD 3.6Å; F259-M327 HydrophobicContact CE1-CE 4.4Å; F259-M327 HydrophobicContact CG-CE 4.23Å; F259-M327 HydrophobicContact CG-SD 3.91Å; Q325-M327 VanDerWaalsContact C-N 3.29Å; Q325-M327 HydrophobicContact CG-CG 3.89Å; Q325-M327 PolarHBondContact NE2-O 3.36Å; Q325-M327 PolarHBondContact O-N 2.9Å; M327-M329 PolarHBondContact O-N 3.35Å; M327-L330 HydrophobicContact SD-CB 3.9Å; M327-L330 HydrophobicContact SD-CD1 4.08Å; M327-L330 HydrophobicContact SD-CG 4.3Å
328D94.3Very high93.6Very high48 Ų4844.7 Ų44.726%0.25722%0.217SC..SBendtrans-57.3-50178.3-87.2-34.7000112.7L256 M269 S270 C273 R276L256-D328 HydrophobicContact CB-CB 4.15Å; L256-D328 HydrophobicContact CD1-CB 4.23Å; M269-D328 WeakPolarHBondContact CA-O 3.34Å; M269-D328 WeakPolarHBondContact CG-O 3.5Å; S270-D328 PolarHBondContact N-O 3.26Å; C273-D328 HydrophobicContact CB-CB 4.18Å; C273-D328 WeakPolarHBondContact CB-O 3.46Å; R276-D328 IonicContact CZ-OD1 3.93Å; R276-D328 IonicContact CZ-OD2 3.25Å; R276-D328 IonicContact NH2-OD1 2.75Å; R276-D328 PolarHBondContact NH2-OD1 2.89Å; R276-D328 IonicContact NH2-OD2 3.8Å; R276-D328 PolarHBondContact NH2-OD2 3.35Å
329M95.2Very high93.7Very high0 Ų044.2 Ų44.20%021%0.211CC..EExtended strand (participates in β ladder)trans-153.4144.2-174.2-170.2161.3-15900111.4L256 A258 F259 T267 I268 M269 I308 F319 M327L256-M329 HydrophobicContact CD1-CB 3.52Å; L256-M329 HydrophobicContact CD1-CG 4.39Å; L256-M329 HydrophobicContact CD1-SD 4.2Å; A258-M329 WeakPolarHBondContact CA-O 3.34Å; A258-M329 HydrophobicContact CB-CB 4.28Å; F259-M329 PolarHBondContact N-O 3.32Å; T267-M329 HydrophobicContact CG2-CE 3.56Å; I268-M329 CarbonylContact O-C 3.57Å; I268-M329 WeakPolarHBondContact O-CA 3.43Å; I268-M329 WeakPolarHBondContact O-CG 2.99Å; M269-M329 HydrophobicContact CB-CG 4.47Å; M269-M329 HydrophobicContact CE-CE 3.99Å; M269-M329 HydrophobicContact CE-CG 4.49Å; M269-M329 HydrophobicContact CE-SD 3.5Å; M269-M329 VanDerWaalsContact CE-SD 3.5Å; I308-M329 HydrophobicContact CD1-CE 3.44Å; I308-M329 VanDerWaalsContact CD1-CE 3.44Å; I308-M329 HydrophobicContact CD1-SD 3.99Å; I308-M329 HydrophobicContact CG1-CE 4.4Å; F319-M329 HydrophobicContact CB-CE 4.27Å; F319-M329 HydrophobicContact CD1-CE 3.66Å; F319-M329 HydrophobicContact CD2-CE 4.22Å; F319-M329 HydrophobicContact CE1-CE 3.95Å; F319-M329 HydrophobicContact CE2-CE 4.47Å; F319-M329 HydrophobicContact CG-CE 3.81Å; F319-M329 HydrophobicContact CZ-CE 4.35Å; M327-M329 PolarHBondContact O-N 3.35Å
330L95.8Very high93.7Very high19 Ų1950.9 Ų50.910%0.09924%0.243CC..EExtended strand (participates in β ladder)trans-121.3118.3174.5-174.5161.2000107.9F259 D261 A264 T267 I268 M327F259-L330 HydrophobicContact CD1-CD1 3.93Å; F259-L330 HydrophobicContact CD1-CG 3.9Å; F259-L330 HydrophobicContact CE1-CD1 4.35Å; D261-L330 HydrophobicContact CB-CD2 4.01Å; D261-L330 HydrophobicContact CB-CG 4.2Å; A264-L330 HydrophobicContact CB-CD1 4.49Å; A264-L330 HydrophobicContact CB-CD2 3.52Å; T267-L330 VanDerWaalsContact CA-O 3.3Å; T267-L330 WeakPolarHBondContact CA-O 3.42Å; T267-L330 VanDerWaalsContact CG2-O 3.25Å; T267-L330 WeakPolarHBondContact CG2-O 3.37Å; I268-L330 PolarHBondContact N-O 3.45Å; I268-L330 PolarHBondContact O-N 3.06Å; M327-L330 HydrophobicContact SD-CB 3.9Å; M327-L330 HydrophobicContact SD-CD1 4.08Å; M327-L330 HydrophobicContact SD-CG 4.3Å
331L96.5Very high93.8Very high10 Ų1052 Ų525%0.05225%0.25CC..EExtended strand (participates in β ladder)trans-88.8101.8173.8-74.9168.2000109.4I247 A258 F259 V260 D261 T267 I308 M335I247-L331 HydrophobicContact CD1-CD1 3.64Å; I247-L331 HydrophobicContact CG1-CD1 4.25Å; A258-L331 HydrophobicContact CB-CD1 3.72Å; A258-L331 HydrophobicContact CB-CG 4.05Å; F259-L331 PolarHBondContact O-N 3.44Å; V260-L331 HydrophobicContact CG2-CD1 4.42Å; D261-L331 PolarHBondContact N-O 3.33Å; T267-L331 HydrophobicContact CG2-CD2 4.1Å; I308-L331 HydrophobicContact CD1-CD2 3.96Å; L331-M335 HydrophobicContact CD2-CB 4.49Å
332G95.9Very high93.9Very high0 Ų055 Ų550%027%0.271CS..  trans-84.9173.7-178.300000113.6D261 A264 T267 D334 M335 L336D261-G332 WeakPolarHBondContact O-CA 3.4Å; A264-G332 WeakPolarHBondContact O-CA 3.44Å; T267-G332 PolarHBondContact OG1-N 2.89Å; G332-D334 PolarHBondContact O-N 2.95Å; G332-D334 VanDerWaalsContact O-N 3.15Å; G332-M335 PolarHBondContact O-N 3.04Å; G332-M335 VanDerWaalsContact O-N 3.17Å; G332-L336 WeakPolarHBondContact O-CG 3.46Å; G332-L336 PolarHBondContact O-N 2.77Å; G332-L336 VanDerWaalsContact O-N 3.09Å
333L96.6Very high94Very high83 Ų8357.3 Ų57.344%0.43528%0.283SS..Hα-helixtrans-58.1-27.3179.4-170.562.2000113.1A264 R337A264-L333 WeakPolarHBondContact O-CB 3.49Å; A264-L333 PolarHBondContact O-N 2.68Å; L333-R337 WeakPolarHBondContact O-CB 3.42Å; L333-R337 PolarHBondContact O-N 3.37Å
334D94.9Very high94.4Very high41 Ų4156.2 Ų56.222%0.21928%0.279CS..Hα-helixtrans-59.6-47.5175.163.7-13.7000112.8Q265 T267 G332 R338Q265-D334 WeakPolarHBondContact O-CB 3.09Å; Q265-D334 PolarHBondContact O-N 2.85Å; T267-D334 VanDerWaalsContact CB-OD1 3.3Å; T267-D334 WeakPolarHBondContact CB-OD1 3.32Å; T267-D334 VanDerWaalsContact N-CG 3.32Å; T267-D334 PolarHBondContact N-OD1 2.8Å; T267-D334 PolarHBondContact N-OD2 3.34Å; T267-D334 PolarHBondContact OG1-OD1 2.81Å; G332-D334 PolarHBondContact O-N 2.95Å; G332-D334 VanDerWaalsContact O-N 3.15Å; D334-R338 WeakPolarHBondContact O-CB 3.46Å; D334-R338 PolarHBondContact O-N 3.23Å; D334-R338 VanDerWaalsContact O-N 3.1Å
335M94.3Very high94.9Very high10 Ų1055.7 Ų55.75%0.04928%0.276CS..Hα-helixtrans-82.4-35.4179.9-64.6-57.210500112.2T267 C317 S318 L331 G332 R337 R338 H339T267-M335 HydrophobicContact CG2-CG 3.98Å; T267-M335 WeakPolarHBondContact OG1-CB 3.28Å; T267-M335 WeakPolarHBondContact OG1-CG 3.43Å; C317-M335 VanDerWaalsContact CA-SD 3.51Å; C317-M335 HydrophobicContact CB-CG 4.13Å; C317-M335 HydrophobicContact CB-SD 3.57Å; C317-M335 VanDerWaalsContact CB-SD 3.57Å; S318-M335 PolarHBondContact N-SD 2.69Å; S318-M335 VanDerWaalsContact N-SD 3.42Å; L331-M335 HydrophobicContact CD2-CB 4.49Å; G332-M335 PolarHBondContact O-N 3.04Å; G332-M335 VanDerWaalsContact O-N 3.17Å; M335-R337 PolarHBondContact O-N 3.44Å; M335-R338 PolarHBondContact O-N 3.31Å; M335-H339 PolarHBondContact O-CD2 2.93Å; M335-H339 PolarHBondContact O-N 3.37Å
336L97.1Very high95.4Very high14 Ų1464.3 Ų64.37%0.07331%0.313CS..Hα-helixtrans-59.1-46172.9-67.3170.1000111.1V260 G332 Q340 C341 I343 L350V260-L336 HydrophobicContact CG1-CD1 4.23Å; V260-L336 HydrophobicContact CG1-CD2 4.14Å; G332-L336 WeakPolarHBondContact O-CG 3.46Å; G332-L336 PolarHBondContact O-N 2.77Å; G332-L336 VanDerWaalsContact O-N 3.09Å; L336-Q340 PolarHBondContact O-N 2.72Å; L336-C341 HydrophobicContact CB-CB 4.38Å; L336-C341 HydrophobicContact CD2-CB 3.8Å; L336-C341 PolarHBondContact O-N 3.35Å; L336-I343 HydrophobicContact CD1-CD1 4.37Å; L336-L350 HydrophobicContact CD2-CD1 4.09Å; L336-L350 HydrophobicContact CD2-CD2 4.45Å
337R96.8Very high95.9Very high209 Ų20966 Ų6679%0.78931%0.311SS*.Hα-helixtrans-68.3-39.5175.7-170.3179.6-175.8-1713.1112.2L333 M335 H339 Q340L333-R337 WeakPolarHBondContact O-CB 3.42Å; L333-R337 PolarHBondContact O-N 3.37Å; M335-R337 PolarHBondContact O-N 3.44Å; R337-H339 VanDerWaalsContact C-N 3.34Å; R337-H339 PolarHBondContact O-N 2.89Å; R337-Q340 PolarHBondContact O-N 3.46Å
338R96.3Very high96.1Very high131 Ų13168.2 Ų68.249%0.49432%0.323SS..Hα-helixtrans-59.8-40.7179.4177.5176.7178.973.42.2113Q316 D334 M335Q316-R338 PolarHBondContact O-NE 3.18Å; D334-R338 WeakPolarHBondContact O-CB 3.46Å; D334-R338 PolarHBondContact O-N 3.23Å; D334-R338 VanDerWaalsContact O-N 3.1Å; M335-R338 PolarHBondContact O-N 3.31Å
339H96.8Very high96.3Very high16 Ų1666 Ų667%0.07431%0.312CS..THydrogen-bonded Turntrans-99.714.5-179.7-60.8-67.8000113.3L315 Q316 C317 M335 R337 C341 I352 G353 T354L315-H339 HydrophobicContact CD1-CB 4.45Å; Q316-H339 PolarHBondContact O-CE1 3.35Å; Q316-H339 PolarHBondContact O-NE2 3.36Å; C317-H339 PolarHBondContact SG-NE2 3.32Å; C317-H339 VanDerWaalsContact SG-NE2 3.35Å; M335-H339 PolarHBondContact O-CD2 2.93Å; M335-H339 PolarHBondContact O-N 3.37Å; R337-H339 VanDerWaalsContact C-N 3.34Å; R337-H339 PolarHBondContact O-N 2.89Å; H339-C341 PolarHBondContact O-N 2.72Å; H339-I352 HydrophobicContact CB-CG2 4.24Å; H339-G353 PolarHBondContact O-N 3.39Å; H339-T354 PolarHBondContact O-N 2.99Å
340Q97.4Very high96.4Very high140 Ų14066.1 Ų66.165%0.65431%0.312SS*.THydrogen-bonded Turntrans5337.3177.2-57.2-179.2-65.200112.9L336 R337 G353L336-Q340 PolarHBondContact O-N 2.72Å; R337-Q340 PolarHBondContact O-N 3.46Å; Q340-G353 VanDerWaalsContact O-CA 3.3Å; Q340-G353 WeakPolarHBondContact O-CA 3.29Å; Q340-G353 PolarHBondContact O-N 2.9Å
341C97.8Very high96.6Very high31 Ų3166.6 Ų66.621%0.20932%0.316CS..  trans-67.6147.3-171.4-60.50000112.7L336 H339 L350 V351L336-C341 HydrophobicContact CB-CB 4.38Å; L336-C341 HydrophobicContact CD2-CB 3.8Å; L336-C341 PolarHBondContact O-N 3.35Å; H339-C341 PolarHBondContact O-N 2.72Å; C341-L350 HydrophobicContact CB-CD1 4.06Å; C341-V351 CarbonylContact C-O 3.54Å; C341-V351 WeakPolarHBondContact CA-O 3.33Å; C341-V351 WeakPolarHBondContact CB-O 3.46Å
342S98.1Very high96.6Very high63 Ų6366.2 Ų66.244%0.44131%0.314SS..EExtended strand (participates in β ladder)trans-120.5117173.3-174.50000110N344 V351S342-N344 PolarHBondContact O-N 2.95Å; S342-V351 PolarHBondContact N-O 2.78Å; S342-V351 PolarHBondContact O-N 2.79Å
343I97.9Very high96.6Very high53 Ų5368.1 Ų68.127%0.27233%0.333SS..EExtended strand (participates in β ladder)trans-78.7102.9172.6-65.9169.1000107.1L245 V260 L336 L345 L350 F361L245-I343 HydrophobicContact CD1-CG2 3.78Å; V260-I343 HydrophobicContact CG1-CD1 3.86Å; V260-I343 HydrophobicContact CG1-CG1 4.17Å; L336-I343 HydrophobicContact CD1-CD1 4.37Å; I343-L345 HydrophobicContact CG2-CD2 3.73Å; I343-L345 HydrophobicContact CG2-CG 4.16Å; I343-L350 HydrophobicContact CG1-CD1 3.73Å; I343-F361 HydrophobicContact CB-CZ 4.48Å; I343-F361 HydrophobicContact CG1-CZ 4.48Å; I343-F361 HydrophobicContact CG2-CE2 4.17Å; I343-F361 HydrophobicContact CG2-CZ 3.92Å
344N96.7Very high96.5Very high45 Ų4567.4 Ų67.424%0.24133%0.333CS..EExtended strand (participates in β ladder)trans-106.382.5-174.1-166.4-39.1000110.9S342 K346 K347 N348 V349 V351S342-N344 PolarHBondContact O-N 2.95Å; N344-K346 VanDerWaalsContact C-N 3.27Å; N344-K346 PolarHBondContact O-N 3.31Å; N344-K346 PolarHBondContact OD1-N 3.02Å; N344-K347 HydrophobicContact CB-CB 4.48Å; N344-K347 CarbonylContact O-C 3.56Å; N344-K347 PolarHBondContact O-N 3.32Å; N344-K347 VanDerWaalsContact O-N 3.12Å; N344-K347 PolarHBondContact OD1-N 3.14Å; N344-K347 VanDerWaalsContact OD1-N 3.11Å; N344-N348 WeakPolarHBondContact O-CA 3.44Å; N344-N348 PolarHBondContact O-N 2.98Å; N344-V349 WeakPolarHBondContact CA-O 3.14Å; N344-V349 HydrophobicContact CB-CG2 4.02Å; N344-V349 WeakPolarHBondContact CB-O 3.28Å; N344-V349 PolarHBondContact N-O 2.88Å; N344-V349 PolarHBondContact O-N 2.98Å; N344-V349 VanDerWaalsContact O-N 3.14Å; N344-V351 HydrophobicContact CB-CG2 4.38Å
345L95.3Very high96.5Very high114 Ų11468.8 Ų68.860%0.59734%0.343SS*.G310 helixtrans-60.3-34.9-179.6-56-177.6000112.5L245 I343 K347 N348 F361L245-L345 HydrophobicContact CD1-CD2 3.97Å; L245-L345 HydrophobicContact CD2-CD2 3.79Å; I343-L345 HydrophobicContact CG2-CD2 3.73Å; I343-L345 HydrophobicContact CG2-CG 4.16Å; L345-K347 PolarHBondContact O-N 3.08Å; L345-N348 PolarHBondContact O-N 2.98Å; L345-F361 HydrophobicContact CD2-CE2 4.32Å
346K93.9Very high96.5Very high208 Ų20870.3 Ų70.390%0.90436%0.361SS*.G310 helixtrans-62.8-24.3177.1-176.8167.4-177169.40113.8N344N344-K346 VanDerWaalsContact C-N 3.27Å; N344-K346 PolarHBondContact O-N 3.31Å; N344-K346 PolarHBondContact OD1-N 3.02Å
347K95.4Very high96.5Very high125 Ų12571.3 Ų71.354%0.54337%0.368SS..G310 helixtrans-106-5.9173.3-75.9-174.5172.1-1720113.4N344 L345 V349N344-K347 HydrophobicContact CB-CB 4.48Å; N344-K347 CarbonylContact O-C 3.56Å; N344-K347 PolarHBondContact O-N 3.32Å; N344-K347 VanDerWaalsContact O-N 3.12Å; N344-K347 PolarHBondContact OD1-N 3.14Å; N344-K347 VanDerWaalsContact OD1-N 3.11Å; L345-K347 PolarHBondContact O-N 3.08Å; K347-V349 VanDerWaalsContact C-N 3.33Å; K347-V349 HydrophobicContact CB-CG2 3.8Å; K347-V349 HydrophobicContact CD-CG2 4.32Å; K347-V349 PolarHBondContact O-N 3.25Å
348N95.9Very high96.5Very high72 Ų7265.7 Ų65.739%0.38535%0.35SS..THydrogen-bonded Turntrans49.545.1-166.5-15543.9000114.4N344 L345 F361N344-N348 WeakPolarHBondContact O-CA 3.44Å; N344-N348 PolarHBondContact O-N 2.98Å; L345-N348 PolarHBondContact O-N 2.98Å; N348-F361 VanDerWaalsContact C-CD2 3.49Å; N348-F361 PolarHBondContact ND2-O 2.79Å; N348-F361 PolarHBondContact O-N 2.96Å
349V97.8Very high96.6Very high3 Ų359.7 Ų59.72%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-130.7150177.7-60.30000113.1N344 K347 V351 Q358 T359 Y360 F361N344-V349 WeakPolarHBondContact CA-O 3.14Å; N344-V349 HydrophobicContact CB-CG2 4.02Å; N344-V349 WeakPolarHBondContact CB-O 3.28Å; N344-V349 PolarHBondContact N-O 2.88Å; N344-V349 PolarHBondContact O-N 2.98Å; N344-V349 VanDerWaalsContact O-N 3.14Å; K347-V349 VanDerWaalsContact C-N 3.33Å; K347-V349 HydrophobicContact CB-CG2 3.8Å; K347-V349 HydrophobicContact CD-CG2 4.32Å; K347-V349 PolarHBondContact O-N 3.25Å; V349-V351 HydrophobicContact CG2-CG2 4.18Å; V349-Q358 HydrophobicContact CG2-CG 4.26Å; V349-T359 CarbonylContact C-O 3.53Å; V349-T359 VanDerWaalsContact CA-O 3.24Å; V349-T359 WeakPolarHBondContact CA-O 3.39Å; V349-T359 VanDerWaalsContact CB-O 3.31Å; V349-T359 WeakPolarHBondContact CB-O 3.45Å; V349-Y360 HydrophobicContact CG1-CD1 3.48Å; V349-Y360 VanDerWaalsContact CG1-CD1 3.48Å; V349-Y360 HydrophobicContact CG1-CD2 4.47Å; V349-Y360 HydrophobicContact CG1-CE1 3.57Å; V349-Y360 HydrophobicContact CG1-CG 3.97Å; V349-F361 VanDerWaalsContact O-CE2 3.31Å; V349-F361 WeakPolarHBondContact O-CE2 3.46Å
350L98.3Very high96.6Very high2 Ų266.7 Ų66.71%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-90.4121.1157.8-173.769.3000109I247 V260 L336 C341 I343 I352 Q358 T359 F361I247-L350 HydrophobicContact CD1-CD2 3.77Å; I247-L350 HydrophobicContact CG2-CB 4.23Å; I247-L350 HydrophobicContact CG2-CD2 4.46Å; V260-L350 HydrophobicContact CG1-CD1 4.46Å; V260-L350 HydrophobicContact CG2-CD2 4.46Å; L336-L350 HydrophobicContact CD2-CD1 4.09Å; L336-L350 HydrophobicContact CD2-CD2 4.45Å; C341-L350 HydrophobicContact CB-CD1 4.06Å; I343-L350 HydrophobicContact CG1-CD1 3.73Å; L350-I352 HydrophobicContact CD2-CD1 4.09Å; L350-I352 HydrophobicContact CG-CD1 4.31Å; L350-Q358 WeakPolarHBondContact O-CA 3.3Å; L350-T359 HydrophobicContact CB-CG2 4.1Å; L350-T359 PolarHBondContact N-O 2.86Å; L350-T359 PolarHBondContact O-N 3.38Å; L350-F361 HydrophobicContact CB-CE1 3.9Å; L350-F361 HydrophobicContact CB-CZ 3.85Å; L350-F361 HydrophobicContact CD1-CZ 4.37Å
351V98.1Very high96.6Very high29 Ų2960.3 Ų60.318%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-92132.8170.8-165.20000108.9C341 S342 N344 V349 Q358C341-V351 CarbonylContact C-O 3.54Å; C341-V351 WeakPolarHBondContact CA-O 3.33Å; C341-V351 WeakPolarHBondContact CB-O 3.46Å; S342-V351 PolarHBondContact N-O 2.78Å; S342-V351 PolarHBondContact O-N 2.79Å; N344-V351 HydrophobicContact CB-CG2 4.38Å; V349-V351 HydrophobicContact CG2-CG2 4.18Å; V351-Q358 HydrophobicContact CB-CG 4.27Å; V351-Q358 HydrophobicContact CG1-CG 4.04Å; V351-Q358 HydrophobicContact CG2-CG 4.01Å
352I97.8Very high96.5Very high1 Ų159.4 Ų59.41%0.00532%0.319CS..  trans-92.2108.5170.5-51.4-53.7000108.3I310 L315 H339 L350 T354 T355 G356 T357I310-I352 HydrophobicContact CD1-CD1 4Å; L315-I352 HydrophobicContact CD1-CD1 3.97Å; L315-I352 HydrophobicContact CD1-CG1 4.25Å; L315-I352 HydrophobicContact CD1-CG2 3.87Å; L315-I352 HydrophobicContact CD2-CG2 3.92Å; H339-I352 HydrophobicContact CB-CG2 4.24Å; L350-I352 HydrophobicContact CD2-CD1 4.09Å; L350-I352 HydrophobicContact CG-CD1 4.31Å; I352-T354 VanDerWaalsContact C-N 3.32Å; I352-T354 PolarHBondContact O-N 3.28Å; I352-T355 PolarHBondContact O-N 2.6Å; I352-G356 WeakPolarHBondContact O-CA 3.31Å; I352-G356 PolarHBondContact O-N 2.97Å; I352-T357 PolarHBondContact N-O 3.37Å
353G95.4Very high96.2Very high40 Ų4059.9 Ų59.941%0.41232%0.32SS..THydrogen-bonded Turntrans-67.4-28.8-17100000114.4H339 Q340 T355H339-G353 PolarHBondContact O-N 3.39Å; Q340-G353 VanDerWaalsContact O-CA 3.3Å; Q340-G353 WeakPolarHBondContact O-CA 3.29Å; Q340-G353 PolarHBondContact O-N 2.9Å; G353-T355 VanDerWaalsContact C-N 3.29Å; G353-T355 PolarHBondContact O-N 2.94Å
354T94.5Very high95.7Very high68 Ų6863.6 Ų63.642%0.41734%0.336SS..THydrogen-bonded Turntrans-72.9-15.5179.347.30000114.6H339 I352H339-T354 PolarHBondContact O-N 2.99Å; I352-T354 VanDerWaalsContact C-N 3.32Å; I352-T354 PolarHBondContact O-N 3.28Å
355T94.9Very high95.3Very high71 Ų7165.5 Ų65.544%0.43637%0.367SS..THydrogen-bonded Turntrans-132.3-20.2-177.761.80000114.6D313 I352 G353 T357D313-T355 WeakPolarHBondContact OD2-CB 3.37Å; D313-T355 WeakPolarHBondContact OD2-CG2 3.45Å; D313-T355 PolarHBondContact OD2-OG1 3.24Å; I352-T355 PolarHBondContact O-N 2.6Å; G353-T355 VanDerWaalsContact C-N 3.29Å; G353-T355 PolarHBondContact O-N 2.94Å; T355-T357 VanDerWaalsContact C-N 3.28Å; T355-T357 PolarHBondContact OG1-N 2.99Å
356G94.3Very high94.9Very high42 Ų4264.1 Ų64.143%0.43336%0.357SS..  trans83.7-4.5-173.700000114.6I352 Q358I352-G356 WeakPolarHBondContact O-CA 3.31Å; I352-G356 PolarHBondContact O-N 2.97Å; G356-Q358 PolarHBondContact O-NE2 3.02Å
357T96.9Very high94.6Very high35 Ų3555.8 Ų55.822%0.21532%0.322CS..  trans-60.9142.9177.4-70.10000111.3E311 D313 I352 T355E311-T357 HydrophobicContact CB-CG2 4.02Å; E311-T357 HydrophobicContact CG-CG2 4.1Å; D313-T357 WeakPolarHBondContact OD2-CB 3.37Å; D313-T357 PolarHBondContact OD2-OG1 3.43Å; I352-T357 PolarHBondContact N-O 3.37Å; T355-T357 VanDerWaalsContact C-N 3.28Å; T355-T357 PolarHBondContact OG1-N 2.99Å
358Q97.5Very high94Very high90 Ų9051.5 Ų51.542%0.42131%0.307SS..EExtended strand (participates in β ladder)trans-125.9130.4-179.4-80.4154.794.600108.8V349 L350 V351 G356V349-Q358 HydrophobicContact CG2-CG 4.26Å; L350-Q358 WeakPolarHBondContact O-CA 3.3Å; V351-Q358 HydrophobicContact CB-CG 4.27Å; V351-Q358 HydrophobicContact CG1-CG 4.04Å; V351-Q358 HydrophobicContact CG2-CG 4.01Å; G356-Q358 PolarHBondContact O-NE2 3.02Å
359T97.6Very high92.7Very high5 Ų556.5 Ų56.53%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-120.3144.1169-170.50000109I247 I310 E311 V349 L350I247-T359 HydrophobicContact CB-CG2 4Å; I247-T359 HydrophobicContact CD1-CG2 4.17Å; I247-T359 HydrophobicContact CG2-CG2 3.83Å; I310-T359 HydrophobicContact CG2-CG2 3.64Å; E311-T359 VanDerWaalsContact OE1-CB 3.24Å; E311-T359 WeakPolarHBondContact OE1-CB 3.49Å; E311-T359 PolarHBondContact OE1-OG1 3.4Å; V349-T359 CarbonylContact C-O 3.53Å; V349-T359 VanDerWaalsContact CA-O 3.24Å; V349-T359 WeakPolarHBondContact CA-O 3.39Å; V349-T359 VanDerWaalsContact CB-O 3.31Å; V349-T359 WeakPolarHBondContact CB-O 3.45Å; L350-T359 HydrophobicContact CB-CG2 4.1Å; L350-T359 PolarHBondContact N-O 2.86Å; L350-T359 PolarHBondContact O-N 3.38Å
360Y97.6Very high90.9Very high163 Ų16357.6 Ų57.664%0.63934%0.341SS*.EExtended strand (participates in β ladder)trans-78.2145.6-179.8-74.4-85000111.1V349V349-Y360 HydrophobicContact CG1-CD1 3.48Å; V349-Y360 VanDerWaalsContact CG1-CD1 3.48Å; V349-Y360 HydrophobicContact CG1-CD2 4.47Å; V349-Y360 HydrophobicContact CG1-CE1 3.57Å; V349-Y360 HydrophobicContact CG1-CG 3.97Å
361F97.6Very high88.8Confident7 Ų758.2 Ų58.23%0.03135%0.345CS..PPolyproline II helixtrans-70.9141.9164.8-62.9-61.6000109.9L245 Y246 I247 V260 I343 L345 N348 V349 L350L245-F361 HydrophobicContact CB-CD1 4.03Å; L245-F361 HydrophobicContact CB-CE1 4.06Å; L245-F361 HydrophobicContact CD1-CZ 4.34Å; L245-F361 HydrophobicContact CD2-CD1 4.28Å; L245-F361 HydrophobicContact CD2-CD2 4.01Å; L245-F361 HydrophobicContact CD2-CE2 4.26Å; L245-F361 HydrophobicContact CD2-CG 4.04Å; Y246-F361 CarbonylContact O-C 3.55Å; Y246-F361 VanDerWaalsContact O-CA 3.25Å; Y246-F361 WeakPolarHBondContact O-CA 3.49Å; I247-F361 HydrophobicContact CG2-CD1 3.63Å; I247-F361 HydrophobicContact CG2-CE1 3.84Å; V260-F361 HydrophobicContact CB-CE1 4.37Å; V260-F361 HydrophobicContact CG1-CE1 4.46Å; V260-F361 HydrophobicContact CG2-CE1 4.22Å; I343-F361 HydrophobicContact CB-CZ 4.48Å; I343-F361 HydrophobicContact CG1-CZ 4.48Å; I343-F361 HydrophobicContact CG2-CE2 4.17Å; I343-F361 HydrophobicContact CG2-CZ 3.92Å; L345-F361 HydrophobicContact CD2-CE2 4.32Å; N348-F361 VanDerWaalsContact C-CD2 3.49Å; N348-F361 PolarHBondContact ND2-O 2.79Å; N348-F361 PolarHBondContact O-N 2.96Å; V349-F361 VanDerWaalsContact O-CE2 3.31Å; V349-F361 WeakPolarHBondContact O-CE2 3.46Å; L350-F361 HydrophobicContact CB-CE1 3.9Å; L350-F361 HydrophobicContact CB-CZ 3.85Å; L350-F361 HydrophobicContact CD1-CZ 4.37Å
362L94.5Very high86.3Confident12 Ų1259.1 Ų59.16%0.06336%0.36CS..PPolyproline II helixtrans-67.6143.3-176.4-57.7-173.6000111.8Y246 N248 K257 E366 L367Y246-L362 PolarHBondContact O-N 2.87Å; N248-L362 WeakPolarHBondContact ND2-CD2 3.41Å; K257-L362 HydrophobicContact CB-CD1 4.3Å; K257-L362 HydrophobicContact CD-CD1 3.51Å; K257-L362 HydrophobicContact CG-CD1 3.83Å; L362-E366 HydrophobicContact CB-CB 4.17Å; L362-E366 HydrophobicContact CD1-CB 4.48Å; L362-L367 HydrophobicContact CB-CD2 4.04Å
363P92Very high83.6Confident73 Ų7366.3 Ų66.347%0.47440%0.396SS..PPolyproline II helixtrans-69.2160.4168.831.5-35.6000111G365 E366P363-G365 VanDerWaalsContact C-N 3.33Å; P363-G365 PolarHBondContact O-N 3.16Å; P363-E366 HydrophobicContact CG-CB 4.03Å; P363-E366 HydrophobicContact CG-CG 4.01Å; P363-E366 WeakPolarHBondContact O-CA 3.49Å; P363-E366 WeakPolarHBondContact O-CB 3.43Å; P363-E366 PolarHBondContact O-N 3.49Å
364E87.7Confident81Confident131 Ų13168.9 Ų68.961%0.61240%0.403SS*.G310 helixtrans-51.8-46.5-177.3-170.5-175.2173.300113.4T243 E366 L367T243-E364 HydrophobicContact CG2-CB 4.05Å; E364-E366 PolarHBondContact O-N 2.99Å; E364-L367 WeakPolarHBondContact O-CB 3.48Å; E364-L367 PolarHBondContact O-N 3.47Å
365G87.5Confident78.2Confident85 Ų8571.8 Ų71.888%0.87642%0.416SS*.G310 helixtrans-66.2-4.617800000115.3P363P363-G365 VanDerWaalsContact C-N 3.33Å; P363-G365 PolarHBondContact O-N 3.16Å
366E88.3Confident75.4Confident85 Ų8572.4 Ų72.440%0.39744%0.437SS..G310 helixtrans-107.40.5171.5-80.4-159.7-12200113.8K257 L362 P363 E364K257-E366 WeakPolarHBondContact CD-O 3.39Å; K257-E366 PolarHBondContact NZ-O 3.37Å; K257-E366 IonicContact NZ-OE2 3.16Å; K257-E366 PolarHBondContact NZ-OE2 3.43Å; L362-E366 HydrophobicContact CB-CB 4.17Å; L362-E366 HydrophobicContact CD1-CB 4.48Å; P363-E366 HydrophobicContact CG-CB 4.03Å; P363-E366 HydrophobicContact CG-CG 4.01Å; P363-E366 WeakPolarHBondContact O-CA 3.49Å; P363-E366 WeakPolarHBondContact O-CB 3.43Å; P363-E366 PolarHBondContact O-N 3.49Å; E364-E366 PolarHBondContact O-N 2.99Å
367L87.6Confident72.3Confident33 Ų3379.7 Ų79.717%0.17346%0.456CS..SBendtrans-71.1150.4178.9-63.7-166.8000112.5T243 M244 Y246 L362 E364T243-L367 HydrophobicContact CG2-CD1 3.71Å; T243-L367 HydrophobicContact CG2-CG 4.32Å; M244-L367 HydrophobicContact CB-CD1 4.49Å; Y246-L367 HydrophobicContact CD2-CD2 3.58Å; Y246-L367 HydrophobicContact CE2-CD2 4.4Å; Y246-L367 HydrophobicContact CG-CD2 3.95Å; L362-L367 HydrophobicContact CB-CD2 4.04Å; E364-L367 WeakPolarHBondContact O-CB 3.48Å; E364-L367 PolarHBondContact O-N 3.47Å
368P82.9Confident69.1Low35 Ų3585.2 Ų85.223%0.22749%0.485CS..  trans-60.3141.3166.7-22.535.2000111.4Y246 K257 C370 S371Y246-P368 HydrophobicContact CD1-CG 4.13Å; Y246-P368 HydrophobicContact CE1-CG 3.73Å; K257-P368 HydrophobicContact CB-CG 4.19Å; P368-C370 PolarHBondContact O-N 2.84Å; P368-C370 VanDerWaalsContact O-N 3.07Å; P368-S371 VanDerWaalsContact O-CB 3.25Å; P368-S371 WeakPolarHBondContact O-CB 3.27Å; P368-S371 PolarHBondContact O-N 3.22Å
369L68.3Low66Low176 Ų17690.2 Ų90.292%0.92151%0.508SS*.G310 helixtrans-54.7-31.1-177.9-68169.1000113.7S371 G372L369-S371 PolarHBondContact O-N 3.29Å; L369-G372 PolarHBondContact O-N 3.49Å
370C60.1Low62.8Low27 Ų2794.3 Ų94.318%0.18254%0.537CS..G310 helixtrans-67.9-10.2175.750.10000114.5P326 P368 G372 M373P326-C370 HydrophobicContact CB-CB 3.99Å; P326-C370 PolarHBondContact O-SG 3.22Å; P368-C370 PolarHBondContact O-N 2.84Å; P368-C370 VanDerWaalsContact O-N 3.07Å; C370-G372 PolarHBondContact O-N 3.14Å; C370-M373 HydrophobicContact CB-SD 4.35Å; C370-M373 WeakPolarHBondContact O-CB 3.47Å; C370-M373 PolarHBondContact O-N 3.31Å
371S53.3Low59.6Low14 Ų1491.5 Ų91.510%0.09854%0.541CS..G310 helixtrans-67.4-12.9176-164.10000113.7M244 P368 L369M244-S371 WeakPolarHBondContact CG-OG 3.44Å; P368-S371 VanDerWaalsContact O-CB 3.25Å; P368-S371 WeakPolarHBondContact O-CB 3.27Å; P368-S371 PolarHBondContact O-N 3.22Å; L369-S371 PolarHBondContact O-N 3.29Å
372G46.4Very low56.4Low48 Ų4898.9 Ų98.950%0.49558%0.58SS.*G310 helixtrans-82.9-9.4170.800000114.9L369 C370L369-G372 PolarHBondContact O-N 3.49Å; C370-G372 PolarHBondContact O-N 3.14Å
373M40.5Very low53.5Low153 Ų153107 Ų10775%0.75462%0.615SS**  trans-93.31.1-170.9-66.2174.616000114.7C370C370-M373 HydrophobicContact CB-SD 4.35Å; C370-M373 WeakPolarHBondContact O-CB 3.47Å; C370-M373 PolarHBondContact O-N 3.31Å
374V41.4Very low50.5Low94 Ų94112 Ų11257%0.5763%0.633SS**SBendtrans-74.4-28.8-179.5-1790000111.8
375N36Very low47.7Very low129 Ų129113.9 Ų113.969%0.6965%0.645SS**SBendtrans-90.5124170.3-74.8-4.7000109.6K377N375-K377 PolarHBondContact O-N 3.43Å
376G35.1Very low45.1Very low84 Ų84115 Ų11587%0.86664%0.635SS**  trans-65.993176.300000111.9
377K29.8Very low42.3Very low195 Ų195120.2 Ų120.285%0.84866%0.659SS**  trans-79.6113146.5-72.7-174.6177-178.60106.6N375 E379N375-K377 PolarHBondContact O-N 3.43Å; K377-E379 PolarHBondContact O-N 3.29Å
378D30.5Very low39.3Very low151 Ų151124.2 Ų124.281%0.80769%0.69SS**  trans-56122.2157.8-73.9-54.4000107.5S380D378-S380 PolarHBondContact O-N 2.94Å
379E31Very low36.8Very low195 Ų195128.9 Ų128.991%0.91172%0.717SS**  trans-71.276.4159.4-75.7-160.2137.900107.6K377 S381K377-E379 PolarHBondContact O-N 3.29Å; E379-S381 PolarHBondContact O-N 2.91Å
380S30.5Very low35Very low91 Ų91129.3 Ų129.364%0.63672%0.716SS**  trans-53.2113164.454.10000107.3D378 D382D378-S380 PolarHBondContact O-N 2.94Å; S380-D382 VanDerWaalsContact C-N 3.31Å; S380-D382 PolarHBondContact O-N 2.63Å
381S30.2Very low33.5Very low104 Ų104135.3 Ų135.373%0.72775%0.747SS**  trans-75.581.1-163.761.40000111.9E379 K383E379-S381 PolarHBondContact O-N 2.91Å; S381-K383 PolarHBondContact O-N 3.45Å
382D30.8Very low32.4Very low161 Ų161139.7 Ų139.786%0.86178%0.778SS**  trans-69.368.7166.4-81.3-20.1000109.9S380S380-D382 VanDerWaalsContact C-N 3.31Å; S380-D382 PolarHBondContact O-N 2.63Å
383K32.8Very low31.6Very low183 Ų183140.8 Ų140.880%0.79679%0.789SS**  trans-100.1115.1158.4-76.8-168.5174.6-179.10108S381 I385S381-K383 PolarHBondContact O-N 3.45Å; K383-I385 PolarHBondContact O-N 3.26Å; K383-I385 VanDerWaalsContact O-N 3.14Å
384E30.4Very low31.3Very low179 Ų179144.9 Ų144.984%0.83680%0.796SS**  trans-47.7115.6174.8-59.9167105.500111.1T386E384-T386 HydrophobicContact CB-CG2 4.49Å
385I28.9Very low30.8Very low169 Ų169148.1 Ų148.187%0.86780%0.802SS**  trans-111.179.9157.5-57.5-175.8000106.5K383K383-I385 PolarHBondContact O-N 3.26Å; K383-I385 VanDerWaalsContact O-N 3.14Å
386T31.5Very low30.9Very low108 Ų108148.7 Ų148.766%0.66380%0.801SS**  trans-60.6146.3174.447.10000111.5E384 S388E384-T386 HydrophobicContact CB-CG2 4.49Å; T386-S388 PolarHBondContact O-N 2.74Å
387H30Very low31.1Very low196 Ų196156.8 Ų156.891%0.90782%0.816SS**  trans-38.7126-178.8-68.3-105.6000116.2
388S26Very low31.2Very low117 Ų117154.9 Ų154.982%0.81881%0.814SS**  trans-151.189.9146.467.30000111.4T386T386-S388 PolarHBondContact O-N 2.74Å
389V29.4Very low31.2Very low133 Ų133155.1 Ų155.181%0.80681%0.814SS**  trans-127.1140.5165.6-178.20000107.3
390M30.8Very low31.2Very low184 Ų184152.8 Ų152.891%0.90681%0.809SS**  trans74.593.4-172.4-46.2-170-170.700115.5
391D28.6Very low31.3Very low153 Ų153156.5 Ų156.582%0.81882%0.819SS**  -141.5156.5104.4-163.415.9000111.3
392S29.5Very low31.3Very low107 Ų107159.8 Ų159.875%0.74883%0.825SS**  trans-34.6133.4179.5-50.10000117.6
393G30.4Very low31.4Very low71 Ų71159.7 Ų159.773%0.73282%0.822SS**  trans-91.3155.8164.500000113.5
394R32.9Very low31.3Very low238 Ų238158 Ų15890%0.89882%0.824SS**  trans-167.6147.8164.7-120.8170.6179.5171.70.6113.2
395K32Very low31.3Very low162 Ų162156.4 Ų156.470%0.70482%0.823SS**  trans72.5124.4166.5-64.8-172.5158.6-79.30114.8
396E37.4Very low31.5Very low141 Ų141155.3 Ų155.366%0.65982%0.82SS**  61.4126.781.5-60.1165.715000111.4
397H39.8Very low31.5Very low254 Ų254159.6 Ų159.6100%1.17683%0.834SS**  cis-124.3021.1-96.2-69.6000115

Retrieved 397 of 397 residues in 97.7 ms (Link to these results)

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