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Prostamide/prostaglandin F synthase

Catalyzes the reduction of prostaglandin-ethanolamide H(2) (prostamide H(2)) to prostamide F(2alpha) with NADPH as proton donor. Also able to reduce prostaglandin H(2) to prostaglandin F(2alpha).

AlphaFold DB , UniProt , Accession G4VHC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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
1M56.9Low88Confident248 Ų24871.7 Ų71.7100%1.22240%0.404SS*.  01280-72.5-173.6-11100107.9
2T70.2Confident88.8Confident80 Ų8066.8 Ų66.849%0.49138%0.378SS..  trans-63.6135.8175.6-51.10000109.5L6T2-L6 HydrophobicContact CG2-CB 3.92Å
3S82.9Confident89.5Confident36 Ų3668.5 Ų68.525%0.25238%0.384SS..  trans-55.3137.1176.2170.20000110.5L5 L6 S7S3-L5 PolarHBondContact O-N 2.99Å; S3-L5 VanDerWaalsContact O-N 3.1Å; S3-L5 WeakPolarHBondContact OG-CB 3.27Å; S3-L5 PolarHBondContact OG-N 2.67Å; S3-L6 PolarHBondContact O-N 3.11Å; S3-S7 PolarHBondContact O-N 3.49Å; S3-S7 PolarHBondContact O-OG 3.12Å
4P88.9Confident90.1Very high101 Ų10163.6 Ų63.666%0.65636%0.356SS*.Hα-helixtrans-52.1-34.1174.1-27.134.6000113.2K8P4-K8 WeakPolarHBondContact O-CG 2.94Å; P4-K8 PolarHBondContact O-N 3.05Å; P4-K8 VanDerWaalsContact O-N 3.16Å
5L92.8Very high90.6Very high37 Ų3763.7 Ų63.719%0.19435%0.353CS..Hα-helixtrans-60.1-49.6175-172.572.5000111.6S3 K8 V9 L103 L149S3-L5 PolarHBondContact O-N 2.99Å; S3-L5 VanDerWaalsContact O-N 3.1Å; S3-L5 WeakPolarHBondContact OG-CB 3.27Å; S3-L5 PolarHBondContact OG-N 2.67Å; L5-K8 PolarHBondContact O-N 2.93Å; L5-V9 WeakPolarHBondContact O-CG1 3.3Å; L5-V9 PolarHBondContact O-N 2.94Å; L5-L103 HydrophobicContact CD1-CD2 3.45Å; L5-L103 VanDerWaalsContact CD1-CD2 3.45Å; L5-L103 HydrophobicContact CD2-CD2 4.29Å; L5-L103 HydrophobicContact CG-CD2 3.74Å; L5-L149 HydrophobicContact CD2-CD2 3.76Å
6L95.7Very high91Very high3 Ų361.4 Ų61.42%0.01634%0.342CS..Hα-helixtrans-71.2-33.9-178.7-65.9-178.8000112.2T2 S3 K8 V9 G10 W29 L149 V151 G155 V157T2-L6 HydrophobicContact CG2-CB 3.92Å; S3-L6 PolarHBondContact O-N 3.11Å; L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.04Å; L6-V9 HydrophobicContact CD2-CG1 4.33Å; L6-G10 VanDerWaalsContact O-CA 3.31Å; L6-G10 WeakPolarHBondContact O-CA 3.45Å; L6-G10 PolarHBondContact O-N 2.9Å; L6-W29 HydrophobicContact CB-CZ2 4.23Å; L6-W29 HydrophobicContact CD2-CH2 4.07Å; L6-W29 HydrophobicContact CD2-CZ2 4.03Å; L6-W29 HydrophobicContact CD2-CZ3 4.46Å; L6-L149 HydrophobicContact CD2-CD1 4.39Å; L6-V151 HydrophobicContact CD1-CG1 3.69Å; L6-V151 HydrophobicContact CD2-CG1 4.34Å; L6-V151 HydrophobicContact CD2-CG2 3.9Å; L6-G155 VanDerWaalsContact CD1-C 3.5Å; L6-G155 WeakPolarHBondContact CD1-O 3.23Å; L6-V157 HydrophobicContact CD1-CG2 3.53Å; L6-V157 HydrophobicContact CD2-CG2 4.03Å; L6-V157 HydrophobicContact CG-CG2 3.61Å
7S94.2Very high91.3Very high65 Ų6559 Ų5946%0.45533%0.332SS..Hα-helixtrans-62.4-40173.9-600000112S3S3-S7 PolarHBondContact O-N 3.49Å; S3-S7 PolarHBondContact O-OG 3.12Å
8K95Very high91.3Very high109 Ų10963.9 Ų63.947%0.47436%0.357SS..Hα-helixtrans-67.8-59.6175.3-72.1178.2177.6-178.10111.2P4 L5 L6 G10 T11 A102 E104P4-K8 WeakPolarHBondContact O-CG 2.94Å; P4-K8 PolarHBondContact O-N 3.05Å; P4-K8 VanDerWaalsContact O-N 3.16Å; L5-K8 PolarHBondContact O-N 2.93Å; L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.04Å; K8-G10 PolarHBondContact O-N 2.89Å; K8-T11 PolarHBondContact O-OG1 3.12Å; K8-A102 HydrophobicContact CB-CB 4.44Å; K8-E104 IonicContact NZ-OE1 3.03Å; K8-E104 PolarHBondContact NZ-OE1 3.1Å
9V97.3Very high91.1Very high0 Ų062.9 Ų62.90%036%0.362CS..Hα-helixtrans-73.7-29-171.177.20000113L5 L6 T11 C12 L25 W29 T99 A102 L103L5-V9 WeakPolarHBondContact O-CG1 3.3Å; L5-V9 PolarHBondContact O-N 2.94Å; L6-V9 HydrophobicContact CD2-CG1 4.33Å; V9-T11 PolarHBondContact O-N 3.37Å; V9-C12 VanDerWaalsContact O-CB 3.23Å; V9-C12 WeakPolarHBondContact O-CB 3.49Å; V9-C12 PolarHBondContact O-N 3.44Å; V9-C12 PolarHBondContact O-SG 2.98Å; V9-L25 HydrophobicContact CB-CD2 4.32Å; V9-L25 HydrophobicContact CG1-CD2 4.1Å; V9-L25 HydrophobicContact CG2-CD2 3.49Å; V9-L25 VanDerWaalsContact CG2-CD2 3.49Å; V9-W29 HydrophobicContact CG1-CH2 4.14Å; V9-T99 HydrophobicContact CG2-CG2 4.26Å; V9-A102 HydrophobicContact CB-CB 4.24Å; V9-A102 HydrophobicContact CG2-CB 4.29Å; V9-L103 HydrophobicContact CB-CD2 3.84Å; V9-L103 HydrophobicContact CB-CG 4.08Å; V9-L103 HydrophobicContact CG1-CD2 4.01Å; V9-L103 HydrophobicContact CG2-CD1 3.9Å; V9-L103 HydrophobicContact CG2-CD2 3.97Å; V9-L103 HydrophobicContact CG2-CG 3.7Å
10G97.2Very high90.9Very high4 Ų465.9 Ų65.94%0.04139%0.387CS..Hα-helixtrans-61.1-27.4-177.300000114.3L6 K8 C12 L25 D26L6-G10 VanDerWaalsContact O-CA 3.31Å; L6-G10 WeakPolarHBondContact O-CA 3.45Å; L6-G10 PolarHBondContact O-N 2.9Å; K8-G10 PolarHBondContact O-N 2.89Å; G10-C12 VanDerWaalsContact C-N 3.3Å; G10-L25 PolarHBondContact O-N 2.94Å; G10-D26 WeakPolarHBondContact O-CB 3.35Å; G10-D26 PolarHBondContact O-N 2.91Å
11T96.6Very high91.1Very high106 Ų10668.8 Ų68.865%0.6540%0.397SS*.THydrogen-bonded Turntrans-80.5-9.1177.564.10000113.8K8 V9K8-T11 PolarHBondContact O-OG1 3.12Å; V9-T11 PolarHBondContact O-N 3.37Å
12C97.9Very high92.9Very high12 Ų1260.6 Ų60.68%0.08136%0.361CS..  trans-69.4139.3178.5-65.20000110.7V9 G10 T24 L25 T99V9-C12 VanDerWaalsContact O-CB 3.23Å; V9-C12 WeakPolarHBondContact O-CB 3.49Å; V9-C12 PolarHBondContact O-N 3.44Å; V9-C12 PolarHBondContact O-SG 2.98Å; G10-C12 VanDerWaalsContact C-N 3.3Å; C12-T24 CarbonylContact O-C 3.6Å; C12-T24 WeakPolarHBondContact O-CA 3.16Å; C12-L25 PolarHBondContact O-N 2.81Å; C12-T99 HydrophobicContact CB-CG2 3.62Å
13I97.9Very high94.2Very high89 Ų8957.8 Ų57.846%0.45634%0.344SS..EExtended strand (participates in β ladder)trans-94.3131.2176.1-61.6171.3000109C23 T24I13-C23 WeakPolarHBondContact CA-O 3.2Å; I13-T24 HydrophobicContact CG1-CG2 4.32Å
14V98.2Very high94.9Very high0 Ų058.6 Ų58.60%035%0.348CS..EExtended strand (participates in β ladder)trans-123.5151.8174.3-620000110.3T22 C23 L25 F28 I71 Y92 D94 T99V14-T22 WeakPolarHBondContact O-CA 3.43Å; V14-C23 PolarHBondContact N-O 2.82Å; V14-C23 PolarHBondContact O-N 3.39Å; V14-L25 HydrophobicContact CG1-CD1 4.1Å; V14-L25 HydrophobicContact CG2-CD1 4.14Å; V14-F28 HydrophobicContact CG2-CE2 4.36Å; V14-F28 HydrophobicContact CG2-CZ 3.79Å; V14-I71 HydrophobicContact CB-CD1 4.3Å; V14-I71 HydrophobicContact CG1-CD1 4.01Å; V14-I71 HydrophobicContact CG1-CG2 4.37Å; V14-I71 HydrophobicContact CG2-CD1 4.2Å; V14-Y92 HydrophobicContact CB-CD1 4.36Å; V14-Y92 HydrophobicContact CG2-CD1 3.74Å; V14-Y92 HydrophobicContact CG2-CG 4.08Å; V14-D94 HydrophobicContact CG1-CB 4.31Å; V14-T99 HydrophobicContact CG1-CG2 3.92Å
15H97.7Very high95.3Very high65 Ų6553.8 Ų53.830%0.30132%0.316SS..EExtended strand (participates in β ladder)trans-111.7136.4-175.7-5468.5000109.1A17 Q21 T22 Y92 L93H15-A17 PolarHBondContact O-N 2.73Å; H15-Q21 CarbonylContact C-O 3.53Å; H15-Q21 WeakPolarHBondContact CA-O 3.28Å; H15-T22 HydrophobicContact CB-CG2 4.41Å; H15-T22 WeakPolarHBondContact CD2-CG2 3.12Å; H15-Y92 CarbonylContact O-C 3.56Å; H15-Y92 WeakPolarHBondContact O-CA 3.41Å; H15-Y92 WeakPolarHBondContact O-CB 3.42Å; H15-L93 HydrophobicContact CB-CB 4.4Å; H15-L93 PolarHBondContact N-O 3.12Å; H15-L93 PolarHBondContact ND1-O 2.79Å; H15-L93 PolarHBondContact O-N 3.22Å
16S97.3Very high95.5Very high27 Ų2754 Ų5419%0.18932%0.318CS..EExtended strand (participates in β ladder)trans-56.1135.8172.4178.50000110.3L18 G19 Q21S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 2.67Å; S16-L18 PolarHBondContact OG-N 2.92Å; S16-G19 VanDerWaalsContact O-O 3.09Å; S16-G19 PolarHBondContact OG-N 3.26Å; S16-Q21 PolarHBondContact N-O 2.96Å
17A95.2Very high95.6Very high21 Ų2155.5 Ų55.517%0.17433%0.329CS..SBendtrans-74-19.8177.200000112.7H15 V78 L91 L93H15-A17 PolarHBondContact O-N 2.73Å; A17-V78 HydrophobicContact CB-CG1 4.02Å; A17-V78 HydrophobicContact CB-CG2 4.47Å; A17-L91 HydrophobicContact CB-CB 3.98Å; A17-L91 HydrophobicContact CB-CD2 4.06Å; A17-L91 HydrophobicContact CB-CG 3.9Å; A17-L91 WeakPolarHBondContact CB-O 3.43Å; A17-L91 PolarHBondContact N-O 3.06Å; A17-L93 HydrophobicContact CB-CG 4.28Å
18L91.3Very high95.7Very high147 Ų14752.6 Ų52.677%0.7731%0.308SS*.SBendtrans-110.5-1-177.3-72.3178.8000113.8S16 L82S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 2.67Å; S16-L18 PolarHBondContact OG-N 2.92Å; L18-L82 HydrophobicContact CD1-CD1 4.15Å; L18-L82 HydrophobicContact CD2-CD1 3.5Å; L18-L82 VanDerWaalsContact CD2-CD1 3.5Å; L18-L82 HydrophobicContact CG-CD1 3.82Å
19G88.2Confident95.8Very high45 Ų4548.1 Ų48.146%0.46429%0.288SS..SBendtrans-150.7-176.9-175.100000113S16S16-G19 VanDerWaalsContact O-O 3.09Å; S16-G19 PolarHBondContact OG-N 3.26Å
20S87.4Confident95.8Very high123 Ų12353.6 Ų53.686%0.8631%0.309SS*.SBendtrans-90.9-1.9178.954.60000113.7
21Q93.4Very high95.7Very high127 Ų12758.5 Ų58.559%0.59333%0.334SS*.  trans-70.5137.4-175.3-170.7179.825.200111.5H15 S16H15-Q21 CarbonylContact C-O 3.53Å; H15-Q21 WeakPolarHBondContact CA-O 3.28Å; S16-Q21 PolarHBondContact N-O 2.96Å
22T96.3Very high95.8Very high75 Ų7555.1 Ų55.146%0.4631%0.311SS..EExtended strand (participates in β ladder)trans-117.3147.4168.862.10000110.2V14 H15V14-T22 WeakPolarHBondContact O-CA 3.43Å; H15-T22 HydrophobicContact CB-CG2 4.41Å; H15-T22 WeakPolarHBondContact CD2-CG2 3.12Å
23C96.7Very high95.8Very high22 Ų2255.9 Ų55.915%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-148.4156.4174.855.60000111.1I13 V14 F28I13-C23 WeakPolarHBondContact CA-O 3.2Å; V14-C23 PolarHBondContact N-O 2.82Å; V14-C23 PolarHBondContact O-N 3.39Å; C23-F28 VanDerWaalsContact SG-CE1 3.5Å
24T97.6Very high95.8Very high52 Ų5251.7 Ų51.732%0.31929%0.293SS..EExtended strand (participates in β ladder)trans-73.6143.8165.851.50000109.6C12 I13 D26 S27C12-T24 CarbonylContact O-C 3.6Å; C12-T24 WeakPolarHBondContact O-CA 3.16Å; I13-T24 HydrophobicContact CG1-CG2 4.32Å; T24-D26 WeakPolarHBondContact CB-OD1 3.43Å; T24-D26 PolarHBondContact O-N 2.9Å; T24-D26 PolarHBondContact OG1-OD1 3.27Å; T24-S27 VanDerWaalsContact O-CB 3.3Å; T24-S27 WeakPolarHBondContact O-CB 3.35Å; T24-S27 PolarHBondContact O-N 2.81Å; T24-S27 VanDerWaalsContact O-N 3.1Å; T24-S27 PolarHBondContact O-OG 2.87Å
25L97.5Very high95.8Very high0 Ų051.7 Ų51.70%029%0.293CS..THydrogen-bonded Turntrans-62.4-31.3-175.4-160.275.3000112.2V9 G10 C12 V14 S27 F28 W29 F38 I71 T99V9-L25 HydrophobicContact CB-CD2 4.32Å; V9-L25 HydrophobicContact CG1-CD2 4.1Å; V9-L25 HydrophobicContact CG2-CD2 3.49Å; V9-L25 VanDerWaalsContact CG2-CD2 3.49Å; G10-L25 PolarHBondContact O-N 2.94Å; C12-L25 PolarHBondContact O-N 2.81Å; V14-L25 HydrophobicContact CG1-CD1 4.1Å; V14-L25 HydrophobicContact CG2-CD1 4.14Å; L25-S27 PolarHBondContact O-N 2.91Å; L25-S27 VanDerWaalsContact O-N 3.15Å; L25-F28 HydrophobicContact CD1-CD2 3.66Å; L25-F28 HydrophobicContact CD1-CE2 3.37Å; L25-F28 HydrophobicContact CD1-CZ 4.18Å; L25-F28 HydrophobicContact CG-CD2 4.2Å; L25-F28 HydrophobicContact CG-CE2 4.36Å; L25-F28 WeakPolarHBondContact O-CB 3.39Å; L25-F28 WeakPolarHBondContact O-CG 3.41Å; L25-F28 PolarHBondContact O-N 3.35Å; L25-W29 HydrophobicContact CB-CH2 4.29Å; L25-W29 HydrophobicContact CB-CZ3 4.44Å; L25-W29 HydrophobicContact CD2-CH2 4.16Å; L25-W29 HydrophobicContact CD2-CZ3 4.11Å; L25-W29 HydrophobicContact CG-CH2 4.11Å; L25-W29 HydrophobicContact CG-CZ3 3.87Å; L25-W29 VanDerWaalsContact O-CZ3 3.25Å; L25-W29 WeakPolarHBondContact O-CZ3 3.3Å; L25-F38 HydrophobicContact CD2-CE1 4.4Å; L25-F38 HydrophobicContact CD2-CZ 4.25Å; L25-I71 HydrophobicContact CD1-CD1 3.81Å; L25-I71 HydrophobicContact CD1-CG1 4.09Å; L25-T99 HydrophobicContact CD2-CG2 4.23Å
26D97.1Very high95.9Very high43 Ų4348.6 Ų48.623%0.2328%0.279CS..THydrogen-bonded Turntrans-61-21.9176.879.9-37.4000114.5G10 T24 F28 W29 R30G10-D26 WeakPolarHBondContact O-CB 3.35Å; G10-D26 PolarHBondContact O-N 2.91Å; T24-D26 WeakPolarHBondContact CB-OD1 3.43Å; T24-D26 PolarHBondContact O-N 2.9Å; T24-D26 PolarHBondContact OG1-OD1 3.27Å; D26-F28 PolarHBondContact O-N 3.39Å; D26-W29 VanDerWaalsContact CA-CZ2 3.41Å; D26-W29 HydrophobicContact CB-CH2 4.46Å; D26-W29 HydrophobicContact CB-CZ2 3.77Å; D26-W29 PolarHBondContact O-N 3.49Å; D26-R30 PolarHBondContact O-N 3.17Å; D26-R30 IonicContact OD1-NH2 2.67Å; D26-R30 PolarHBondContact OD1-NH2 3.42Å; D26-R30 IonicContact OD2-CZ 2.9Å; D26-R30 IonicContact OD2-NH1 3.34Å; D26-R30 PolarHBondContact OD2-NH1 3.37Å; D26-R30 IonicContact OD2-NH2 2.98Å; D26-R30 PolarHBondContact OD2-NH2 3.19Å
27S97.3Very high95.9Very high34 Ų3447.3 Ų47.324%0.23827%0.27CS..Hα-helixtrans-62.4-21.7174.970.30000112.7T24 L25T24-S27 VanDerWaalsContact O-CB 3.3Å; T24-S27 WeakPolarHBondContact O-CB 3.35Å; T24-S27 PolarHBondContact O-N 2.81Å; T24-S27 VanDerWaalsContact O-N 3.1Å; T24-S27 PolarHBondContact O-OG 2.87Å; L25-S27 PolarHBondContact O-N 2.91Å; L25-S27 VanDerWaalsContact O-N 3.15Å
28F97.4Very high96.1Very high4 Ų446.4 Ų46.42%0.01826%0.262CS..Hα-helixtrans-70.1-41.2-178.3-64.6-8.4000112.5V14 C23 L25 D26 I36 M69 I71 Y92V14-F28 HydrophobicContact CG2-CE2 4.36Å; V14-F28 HydrophobicContact CG2-CZ 3.79Å; C23-F28 VanDerWaalsContact SG-CE1 3.5Å; L25-F28 HydrophobicContact CD1-CD2 3.66Å; L25-F28 HydrophobicContact CD1-CE2 3.37Å; L25-F28 HydrophobicContact CD1-CZ 4.18Å; L25-F28 HydrophobicContact CG-CD2 4.2Å; L25-F28 HydrophobicContact CG-CE2 4.36Å; L25-F28 WeakPolarHBondContact O-CB 3.39Å; L25-F28 WeakPolarHBondContact O-CG 3.41Å; L25-F28 PolarHBondContact O-N 3.35Å; D26-F28 PolarHBondContact O-N 3.39Å; F28-I36 HydrophobicContact CB-CD1 4.35Å; F28-I36 HydrophobicContact CD2-CD1 3.94Å; F28-I36 HydrophobicContact CD2-CG1 4.26Å; F28-M69 HydrophobicContact CD1-CE 3.93Å; F28-M69 HydrophobicContact CD2-CB 4.25Å; F28-M69 HydrophobicContact CD2-CE 4.2Å; F28-M69 HydrophobicContact CD2-CG 3.99Å; F28-M69 HydrophobicContact CE1-CE 3.63Å; F28-M69 HydrophobicContact CE2-CB 4.15Å; F28-M69 HydrophobicContact CE2-CE 3.89Å; F28-M69 HydrophobicContact CE2-CG 4.22Å; F28-M69 HydrophobicContact CG-CE 4.21Å; F28-M69 HydrophobicContact CG-CG 4.37Å; F28-M69 HydrophobicContact CZ-CE 3.61Å; F28-I71 HydrophobicContact CE2-CD1 3.93Å; F28-I71 HydrophobicContact CZ-CD1 4.48Å; F28-Y92 HydrophobicContact CE1-CE1 4.18Å; F28-Y92 HydrophobicContact CE1-CE2 4.33Å; F28-Y92 AromaticContact CE1-CZ 3.97Å; F28-Y92 HydrophobicContact CZ-CD1 4.09Å; F28-Y92 AromaticContact CZ-CD2 3.94Å; F28-Y92 HydrophobicContact CZ-CD2 3.94Å; F28-Y92 AromaticContact CZ-CE1 3.97Å; F28-Y92 HydrophobicContact CZ-CE1 3.97Å; F28-Y92 AromaticContact CZ-CE2 3.85Å; F28-Y92 HydrophobicContact CZ-CE2 3.85Å; F28-Y92 HydrophobicContact CZ-CG 4.09Å; F28-Y92 AromaticContact CZ-CZ 3.84Å
29W97.2Very high96.3Very high14 Ų1439.5 Ų39.55%0.05323%0.226CC..Hα-helixtrans-101.91.6-17958.879.5000114.4L6 V9 L25 D26 D31 Q32 I36 V151 K153 G154L6-W29 HydrophobicContact CB-CZ2 4.23Å; L6-W29 HydrophobicContact CD2-CH2 4.07Å; L6-W29 HydrophobicContact CD2-CZ2 4.03Å; L6-W29 HydrophobicContact CD2-CZ3 4.46Å; V9-W29 HydrophobicContact CG1-CH2 4.14Å; L25-W29 HydrophobicContact CB-CH2 4.29Å; L25-W29 HydrophobicContact CB-CZ3 4.44Å; L25-W29 HydrophobicContact CD2-CH2 4.16Å; L25-W29 HydrophobicContact CD2-CZ3 4.11Å; L25-W29 HydrophobicContact CG-CH2 4.11Å; L25-W29 HydrophobicContact CG-CZ3 3.87Å; L25-W29 VanDerWaalsContact O-CZ3 3.25Å; L25-W29 WeakPolarHBondContact O-CZ3 3.3Å; D26-W29 VanDerWaalsContact CA-CZ2 3.41Å; D26-W29 HydrophobicContact CB-CH2 4.46Å; D26-W29 HydrophobicContact CB-CZ2 3.77Å; D26-W29 PolarHBondContact O-N 3.49Å; W29-D31 PolarHBondContact O-N 3.06Å; W29-Q32 VanDerWaalsContact CA-O 3.25Å; W29-Q32 WeakPolarHBondContact CA-O 3.32Å; W29-I36 HydrophobicContact CE3-CD1 3.66Å; W29-I36 HydrophobicContact CZ3-CD1 3.51Å; W29-V151 HydrophobicContact CB-CB 3.97Å; W29-V151 HydrophobicContact CB-CG1 3.54Å; W29-V151 HydrophobicContact CD2-CB 4.43Å; W29-V151 HydrophobicContact CD2-CG1 3.87Å; W29-V151 HydrophobicContact CE3-CB 4.39Å; W29-V151 HydrophobicContact CE3-CG1 4.3Å; W29-V151 HydrophobicContact CE3-CG2 4.32Å; W29-V151 HydrophobicContact CG-CB 4.3Å; W29-V151 HydrophobicContact CG-CG1 3.54Å; W29-K153 CarbonylContact O-C 3.52Å; W29-K153 WeakPolarHBondContact O-CA 3.45Å; W29-G154 PolarHBondContact O-N 3.09Å
30R96.5Very high96.5Very high116 Ų11637.7 Ų37.744%0.43821%0.205SC..Hα-helixtrans-56.3-51.1-179.4-165.9-175.7-47.1-67.2-3.7111.3D26D26-R30 PolarHBondContact O-N 3.17Å; D26-R30 IonicContact OD1-NH2 2.67Å; D26-R30 PolarHBondContact OD1-NH2 3.42Å; D26-R30 IonicContact OD2-CZ 2.9Å; D26-R30 IonicContact OD2-NH1 3.34Å; D26-R30 PolarHBondContact OD2-NH1 3.37Å; D26-R30 IonicContact OD2-NH2 2.98Å; D26-R30 PolarHBondContact OD2-NH2 3.19Å
31D95.8Very high96.7Very high106 Ų10633.2 Ų33.257%0.56717%0.17SC*.SBendtrans-119.3-5.8-170.2-61.4-59.9000114.5W29 K153W29-D31 PolarHBondContact O-N 3.06Å; D31-K153 VanDerWaalsContact O-CD 3.23Å; D31-K153 WeakPolarHBondContact O-CD 3.04Å; D31-K153 VanDerWaalsContact O-CE 3.27Å; D31-K153 WeakPolarHBondContact O-CE 3.49Å; D31-K153 PolarHBondContact O-NZ 2.79Å
32Q97.3Very high96.8Very high35 Ų3527.2 Ų27.216%0.16414%0.141CC..SBendtrans-147.4147.6-173-162.8173.6-21.700110.6W29 N65 K67W29-Q32 VanDerWaalsContact CA-O 3.25Å; W29-Q32 WeakPolarHBondContact CA-O 3.32Å; Q32-N65 VanDerWaalsContact CD-O 3.29Å; Q32-N65 VanDerWaalsContact CD-OD1 3.24Å; Q32-N65 WeakPolarHBondContact CG-O 3.4Å; Q32-N65 PolarHBondContact NE2-O 2.81Å; Q32-N65 PolarHBondContact NE2-OD1 3.47Å; Q32-K67 HydrophobicContact CB-CG 4.41Å; Q32-K67 HydrophobicContact CG-CG 4.08Å; Q32-K67 VanDerWaalsContact NE2-CG 3.27Å
33T98.5Very high96.7Very high29 Ų2923.7 Ų23.718%0.17812%0.12CC..EExtended strand (participates in β ladder)trans-70145.3168.8-65.20000109.2I66 K67 V151 K153 L179T33-I66 HydrophobicContact CG2-CG1 4.26Å; T33-I66 HydrophobicContact CG2-CG2 4.07Å; T33-I66 CarbonylContact O-C 3.4Å; T33-I66 WeakPolarHBondContact O-CA 3.45Å; T33-K67 PolarHBondContact O-N 3.01Å; T33-V151 CarbonylContact C-O 3.55Å; T33-V151 WeakPolarHBondContact CA-O 3.25Å; T33-V151 WeakPolarHBondContact CG2-O 3.38Å; T33-K153 PolarHBondContact OG1-N 2.65Å; T33-K153 VanDerWaalsContact OG1-N 3.17Å; T33-L179 HydrophobicContact CG2-CD2 3.83Å
34C98.5Very high96.5Very high0 Ų023.1 Ų23.10%012%0.116CC..EExtended strand (participates in β ladder)trans-144.3148.8-179.463.20000113.4K67 V151C34-K67 CarbonylContact C-O 3.4Å; C34-K67 VanDerWaalsContact CA-O 3.3Å; C34-K67 WeakPolarHBondContact CA-O 3.38Å; C34-K67 HydrophobicContact CB-CB 3.84Å; C34-V151 PolarHBondContact N-O 3.15Å; C34-V151 PolarHBondContact O-N 3.1Å
35I98.7Very high96.3Very high0 Ų022.3 Ų22.30%011%0.109CC..EExtended strand (participates in β ladder)trans-96.7129.5160.7-53.8-177.7000107.4L57 L61 K67 L68 M69 L148 L149 V150 I175 L179I35-L57 HydrophobicContact CD1-CD1 4.47Å; I35-L61 HydrophobicContact CD1-CD1 3.79Å; I35-L61 HydrophobicContact CD1-CD2 4.01Å; I35-K67 PolarHBondContact N-O 2.96Å; I35-L68 HydrophobicContact CB-CD1 3.91Å; I35-L68 HydrophobicContact CG2-CD1 3.95Å; I35-M69 PolarHBondContact O-N 3.31Å; I35-L148 HydrophobicContact CG2-CD1 3.82Å; I35-L148 HydrophobicContact CG2-CD2 4.09Å; I35-L148 HydrophobicContact CG2-CG 4Å; I35-L149 CarbonylContact C-O 3.01Å; I35-L149 WeakPolarHBondContact CA-O 3.19Å; I35-V150 HydrophobicContact CG1-CG2 4.29Å; I35-I175 HydrophobicContact CD1-CG2 3.9Å; I35-L179 HydrophobicContact CD1-CD1 3.75Å; I35-L179 HydrophobicContact CG1-CD1 4.07Å
36I98.6Very high96.1Very high0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-123.6108.8176.1-50.1171.7000107.7F28 W29 F38 M69 I71 L148 L149F28-I36 HydrophobicContact CB-CD1 4.35Å; F28-I36 HydrophobicContact CD2-CD1 3.94Å; F28-I36 HydrophobicContact CD2-CG1 4.26Å; W29-I36 HydrophobicContact CE3-CD1 3.66Å; W29-I36 HydrophobicContact CZ3-CD1 3.51Å; I36-F38 HydrophobicContact CB-CE2 4.23Å; I36-F38 HydrophobicContact CB-CZ 4.37Å; I36-F38 HydrophobicContact CG2-CD2 4.46Å; I36-F38 HydrophobicContact CG2-CE1 4.13Å; I36-F38 HydrophobicContact CG2-CE2 3.75Å; I36-F38 HydrophobicContact CG2-CZ 3.55Å; I36-M69 WeakPolarHBondContact CA-O 3.41Å; I36-M69 HydrophobicContact CG1-CB 4.35Å; I36-I71 HydrophobicContact CG2-CG1 3.76Å; I36-L148 CarbonylContact O-C 3.56Å; I36-L148 WeakPolarHBondContact O-CA 3.41Å; I36-L149 PolarHBondContact N-O 3.2Å; I36-L149 PolarHBondContact O-N 2.82Å
37T98.5Very high96Very high0 Ų021.5 Ų21.50%010%0.103CC..EExtended strand (participates in β ladder)trans-97.8141.7171.6177.80000110.5F39 E50 L54 M69 G70 I71 F87T37-F39 HydrophobicContact CG2-CD1 4.45Å; T37-F39 HydrophobicContact CG2-CD2 4.16Å; T37-F39 HydrophobicContact CG2-CE1 3.78Å; T37-F39 HydrophobicContact CG2-CE2 3.46Å; T37-F39 VanDerWaalsContact CG2-CE2 3.46Å; T37-F39 HydrophobicContact CG2-CZ 3.24Å; T37-E50 PolarHBondContact OG1-OE1 3.08Å; T37-L54 HydrophobicContact CG2-CD1 3.72Å; T37-M69 PolarHBondContact N-O 3.03Å; T37-G70 CarbonylContact O-C 3.5Å; T37-G70 WeakPolarHBondContact O-CA 3.46Å; T37-I71 PolarHBondContact O-N 2.7Å; T37-F87 HydrophobicContact CG2-CE2 4.21Å; T37-F87 HydrophobicContact CG2-CZ 4.22Å
38F97.9Very high95.9Very high2 Ų219.9 Ų19.91%0.0099%0.092CC..EExtended strand (participates in β ladder)trans-111.290.9-178.1-62-92.1000109.4L25 I36 R40 I71 T99 Y100 L103 Y105 G146 G147 L149L25-F38 HydrophobicContact CD2-CE1 4.4Å; L25-F38 HydrophobicContact CD2-CZ 4.25Å; I36-F38 HydrophobicContact CB-CE2 4.23Å; I36-F38 HydrophobicContact CB-CZ 4.37Å; I36-F38 HydrophobicContact CG2-CD2 4.46Å; I36-F38 HydrophobicContact CG2-CE1 4.13Å; I36-F38 HydrophobicContact CG2-CE2 3.75Å; I36-F38 HydrophobicContact CG2-CZ 3.55Å; F38-R40 PolarHBondContact O-N 3Å; F38-I71 CarbonylContact C-O 3.56Å; F38-I71 WeakPolarHBondContact CA-O 3.47Å; F38-I71 HydrophobicContact CD1-CB 3.65Å; F38-I71 HydrophobicContact CD1-CG1 4.03Å; F38-I71 HydrophobicContact CD1-CG2 3.94Å; F38-I71 HydrophobicContact CE1-CB 3.97Å; F38-I71 HydrophobicContact CE1-CG1 3.82Å; F38-I71 HydrophobicContact CE1-CG2 4.23Å; F38-I71 HydrophobicContact CG-CB 4.45Å; F38-T99 HydrophobicContact CE1-CG2 4.39Å; F38-Y100 HydrophobicContact CB-CE1 4.07Å; F38-L103 HydrophobicContact CD1-CD1 4.13Å; F38-L103 HydrophobicContact CD2-CD1 4.03Å; F38-L103 HydrophobicContact CE1-CD1 3.67Å; F38-L103 HydrophobicContact CE2-CD1 3.56Å; F38-L103 HydrophobicContact CG-CD1 4.3Å; F38-L103 HydrophobicContact CZ-CD1 3.36Å; F38-Y105 HydrophobicContact CB-CD2 4.35Å; F38-Y105 HydrophobicContact CB-CE2 3.71Å; F38-Y105 HydrophobicContact CD1-CE2 4.37Å; F38-Y105 AromaticContact CD2-CE2 3.81Å; F38-Y105 HydrophobicContact CD2-CE2 3.81Å; F38-Y105 AromaticContact CG-CE2 3.7Å; F38-Y105 HydrophobicContact CG-CE2 3.7Å; F38-G146 WeakPolarHBondContact O-CA 3.36Å; F38-G147 PolarHBondContact N-O 2.98Å; F38-L149 HydrophobicContact CE2-CD1 3.94Å; F38-L149 HydrophobicContact CE2-CG 4.11Å; F38-L149 HydrophobicContact CZ-CD1 4.2Å
39F96.6Very high95.8Very high3 Ų320 Ų201%0.0139%0.093CC..EExtended strand (participates in β ladder)trans-75.5122.9-177.2-61.4-62.4000112T37 L42 A51 I71 T72 F81 F87 L91 Y100T37-F39 HydrophobicContact CG2-CD1 4.45Å; T37-F39 HydrophobicContact CG2-CD2 4.16Å; T37-F39 HydrophobicContact CG2-CE1 3.78Å; T37-F39 HydrophobicContact CG2-CE2 3.46Å; T37-F39 VanDerWaalsContact CG2-CE2 3.46Å; T37-F39 HydrophobicContact CG2-CZ 3.24Å; F39-L42 HydrophobicContact CB-CD2 3.75Å; F39-L42 HydrophobicContact CD2-CD2 4.09Å; F39-L42 HydrophobicContact CG-CD2 4.05Å; F39-A51 HydrophobicContact CE1-CB 3.83Å; F39-A51 HydrophobicContact CZ-CB 3.71Å; F39-I71 PolarHBondContact N-O 2.7Å; F39-T72 WeakPolarHBondContact O-CB 3.45Å; F39-T72 PolarHBondContact O-OG1 3.02Å; F39-F81 HydrophobicContact CE2-CE1 4.41Å; F39-F81 HydrophobicContact CE2-CZ 4.2Å; F39-F81 HydrophobicContact CZ-CZ 4.22Å; F39-F87 HydrophobicContact CE2-CD1 4.35Å; F39-F87 HydrophobicContact CE2-CD2 4.16Å; F39-F87 HydrophobicContact CE2-CE1 4.26Å; F39-F87 HydrophobicContact CE2-CE2 4.07Å; F39-F87 HydrophobicContact CE2-CG 4.29Å; F39-F87 HydrophobicContact CE2-CZ 4.11Å; F39-F87 AromaticContact CZ-CD2 3.87Å; F39-F87 HydrophobicContact CZ-CD2 3.87Å; F39-F87 AromaticContact CZ-CE2 3.85Å; F39-F87 HydrophobicContact CZ-CE2 3.85Å; F39-F87 HydrophobicContact CZ-CG 4.37Å; F39-F87 HydrophobicContact CZ-CZ 4.34Å; F39-L91 HydrophobicContact CD2-CD1 4.13Å; F39-L91 HydrophobicContact CE2-CD1 4.36Å; F39-Y100 PolarHBondContact N-OH 2.95Å; F39-Y100 PolarHBondContact O-OH 3.24Å
40R90.8Very high95.7Very high7 Ų720.1 Ų20.13%0.0269%0.094CC..SBendtrans-71.3-44.5176.261.4176.6-172.8-83.53.4114F38 C44 F73 Q144 Q163 V166F38-R40 PolarHBondContact O-N 3Å; R40-C44 PolarHBondContact NH2-SG 3.19Å; R40-C44 VanDerWaalsContact NH2-SG 3.41Å; R40-F73 WeakPolarHBondContact O-CE1 3.36Å; R40-F73 WeakPolarHBondContact O-CZ 3.49Å; R40-Q144 HydrophobicContact CB-CB 4.39Å; R40-Q144 WeakPolarHBondContact CB-O 3.25Å; R40-Q144 WeakPolarHBondContact CD-O 3.49Å; R40-Q144 WeakPolarHBondContact CG-O 3.5Å; R40-Q163 VanDerWaalsContact NH1-CD 3.29Å; R40-V166 PolarHBondContact NH2-O 3.32Å
41R92.8Very high95.7Very high29 Ų2914.6 Ų14.611%0.1097%0.073CC..  trans-152.3111.6-170-170174.181.385.5-5.3108.9G43 C44 C47 D74 N137 S139R41-G43 PolarHBondContact NH1-O 3Å; R41-G43 PolarHBondContact O-N 3.24Å; R41-C44 HydrophobicContact CB-CB 4.09Å; R41-C44 HydrophobicContact CG-CB 4.42Å; R41-C44 VanDerWaalsContact O-CB 3.24Å; R41-C44 WeakPolarHBondContact O-CB 3.38Å; R41-C44 PolarHBondContact O-N 2.87Å; R41-C44 VanDerWaalsContact O-N 3.08Å; R41-C47 VanDerWaalsContact O-CB 3.27Å; R41-C47 WeakPolarHBondContact O-CB 3.42Å; R41-C47 PolarHBondContact O-SG 3.23Å; R41-D74 WeakPolarHBondContact CA-OD2 3.13Å; R41-N137 PolarHBondContact NH1-O 2.96Å; R41-N137 PolarHBondContact NH1-OD1 3.06Å; R41-N137 PolarHBondContact NH2-O 3.09Å; R41-S139 VanDerWaalsContact CD-O 3.26Å; R41-S139 WeakPolarHBondContact CD-O 3.41Å; R41-S139 PolarHBondContact NH1-O 2.93Å
42L95.5Very high95.7Very high0 Ų012.2 Ų12.20%06%0.057CC..THydrogen-bonded Turntrans-72.5-21.2-176.4-60.5-178000112F39 C44 R48 T72 D74 V78 F81 L91F39-L42 HydrophobicContact CB-CD2 3.75Å; F39-L42 HydrophobicContact CD2-CD2 4.09Å; F39-L42 HydrophobicContact CG-CD2 4.05Å; L42-C44 VanDerWaalsContact C-N 3.29Å; L42-R48 WeakPolarHBondContact O-CG 3.18Å; L42-R48 PolarHBondContact O-NE 3.31Å; L42-T72 HydrophobicContact CD1-CG2 3.92Å; L42-T72 HydrophobicContact CD2-CG2 4.35Å; L42-T72 HydrophobicContact CG-CG2 4.27Å; L42-D74 HydrophobicContact CG-CB 4.27Å; L42-D74 PolarHBondContact N-OD2 2.58Å; L42-V78 HydrophobicContact CD1-CB 4.36Å; L42-V78 HydrophobicContact CD1-CG2 3.85Å; L42-F81 HydrophobicContact CB-CB 3.84Å; L42-F81 HydrophobicContact CB-CD2 3.84Å; L42-F81 HydrophobicContact CB-CG 3.88Å; L42-F81 HydrophobicContact CD1-CB 4Å; L42-F81 HydrophobicContact CD1-CD1 4.23Å; L42-F81 HydrophobicContact CD1-CG 4.14Å; L42-F81 HydrophobicContact CD2-CD1 3.91Å; L42-F81 HydrophobicContact CD2-CD2 3.99Å; L42-F81 HydrophobicContact CD2-CE1 3.87Å; L42-F81 HydrophobicContact CD2-CE2 3.98Å; L42-F81 HydrophobicContact CD2-CG 3.94Å; L42-F81 HydrophobicContact CD2-CZ 3.9Å; L42-F81 HydrophobicContact CG-CB 4.39Å; L42-F81 HydrophobicContact CG-CD1 4.49Å; L42-F81 HydrophobicContact CG-CD2 4.42Å; L42-F81 HydrophobicContact CG-CG 4.22Å; L42-F81 WeakPolarHBondContact O-CD2 3.45Å; L42-L91 HydrophobicContact CD1-CD2 4.18Å
43G93.7Very high95.6Very high1 Ų111.3 Ų11.31%0.015%0.054CC..THydrogen-bonded Turntrans-75.2-9.5169.200000115.2R41 G136 N137R41-G43 PolarHBondContact NH1-O 3Å; R41-G43 PolarHBondContact O-N 3.24Å; G43-G136 CarbonylContact O-C 3.52Å; G43-G136 VanDerWaalsContact O-CA 3.27Å; G43-G136 WeakPolarHBondContact O-CA 3.13Å; G43-N137 WeakPolarHBondContact CA-OD1 3.48Å; G43-N137 PolarHBondContact O-N 3.28Å
44C92.8Very high95.5Very high11 Ų119.9 Ų9.97%0.0745%0.045CC..  trans-77.6127-178.6-179.50000111.4R40 R41 L42 F46 C47 R48R40-C44 PolarHBondContact NH2-SG 3.19Å; R40-C44 VanDerWaalsContact NH2-SG 3.41Å; R41-C44 HydrophobicContact CB-CB 4.09Å; R41-C44 HydrophobicContact CG-CB 4.42Å; R41-C44 VanDerWaalsContact O-CB 3.24Å; R41-C44 WeakPolarHBondContact O-CB 3.38Å; R41-C44 PolarHBondContact O-N 2.87Å; R41-C44 VanDerWaalsContact O-N 3.08Å; L42-C44 VanDerWaalsContact C-N 3.29Å; C44-F46 PolarHBondContact O-N 3.43Å; C44-C47 HydrophobicContact CB-CB 3.94Å; C44-C47 VanDerWaalsContact CB-SG 3.54Å; C44-C47 PolarHBondContact O-N 3.04Å; C44-C47 VanDerWaalsContact O-N 3.12Å; C44-R48 WeakPolarHBondContact O-CG 3.49Å; C44-R48 PolarHBondContact O-N 2.98Å
45K93.7Very high95.4Very high35 Ų3510 Ų1015%0.1525%0.046CC..Hα-helixtrans-51.5-39.2176-176.9174.2-173.6-152.90113.3L49 N126 A129 I134K45-L49 PolarHBondContact O-N 3.47Å; K45-L49 VanDerWaalsContact O-N 3.09Å; K45-N126 PolarHBondContact NZ-O 2.89Å; K45-N126 VanDerWaalsContact NZ-O 3.09Å; K45-N126 PolarHBondContact NZ-OD1 3.35Å; K45-A129 HydrophobicContact CD-CB 3.97Å; K45-A129 VanDerWaalsContact CE-C 3.46Å; K45-A129 HydrophobicContact CG-CB 3.64Å; K45-I134 WeakPolarHBondContact CD-O 3.49Å; K45-I134 WeakPolarHBondContact CE-O 3.37Å; K45-I134 HydrophobicContact CG-CG2 4.32Å; K45-I134 WeakPolarHBondContact CG-O 3.47Å
46F93.2Very high95.2Very high23 Ų2314.1 Ų14.110%0.1016%0.062CC..Hα-helixtrans-76.5-37.9-179.6-57.3-20.2000112.6C44 R48 L49 E50 L117 L125 N126 V167C44-F46 PolarHBondContact O-N 3.43Å; F46-R48 VanDerWaalsContact C-N 3.29Å; F46-R48 PolarHBondContact O-N 2.9Å; F46-L49 PolarHBondContact O-N 2.91Å; F46-E50 PolarHBondContact O-N 3.13Å; F46-L117 HydrophobicContact CD2-CD2 4.3Å; F46-L117 HydrophobicContact CE2-CD2 3.35Å; F46-L117 HydrophobicContact CZ-CD2 4.03Å; F46-L125 HydrophobicContact CB-CD2 3.85Å; F46-L125 HydrophobicContact CB-CG 4.42Å; F46-L125 HydrophobicContact CD1-CD2 3.84Å; F46-L125 HydrophobicContact CD1-CG 3.74Å; F46-L125 HydrophobicContact CD2-CD2 3.55Å; F46-L125 HydrophobicContact CD2-CG 4.34Å; F46-L125 HydrophobicContact CE1-CB 4.36Å; F46-L125 HydrophobicContact CE1-CD2 4.27Å; F46-L125 HydrophobicContact CE1-CG 4.04Å; F46-L125 HydrophobicContact CE2-CD2 3.96Å; F46-L125 HydrophobicContact CG-CD2 3.48Å; F46-L125 VanDerWaalsContact CG-CD2 3.48Å; F46-L125 HydrophobicContact CG-CG 3.93Å; F46-L125 HydrophobicContact CZ-CB 4.49Å; F46-L125 HydrophobicContact CZ-CD2 4.32Å; F46-L125 HydrophobicContact CZ-CG 4.43Å; F46-N126 HydrophobicContact CE1-CB 4.12Å; F46-N126 HydrophobicContact CZ-CB 4.27Å; F46-V167 HydrophobicContact CE2-CG1 4.04Å
47C94.6Very high95Very high2 Ų214.1 Ų14.11%0.0146%0.062CC..Hα-helixtrans-62.9-38.4173-60.50000111.4R41 C44 E50 A51R41-C47 VanDerWaalsContact O-CB 3.27Å; R41-C47 WeakPolarHBondContact O-CB 3.42Å; R41-C47 PolarHBondContact O-SG 3.23Å; C44-C47 HydrophobicContact CB-CB 3.94Å; C44-C47 VanDerWaalsContact CB-SG 3.54Å; C44-C47 PolarHBondContact O-N 3.04Å; C44-C47 VanDerWaalsContact O-N 3.12Å; C47-E50 PolarHBondContact O-N 2.91Å; C47-A51 VanDerWaalsContact O-CB 3.31Å; C47-A51 WeakPolarHBondContact O-CB 3.34Å; C47-A51 PolarHBondContact O-N 3.46Å
48R96.2Very high94.9Very high0 Ų016.2 Ų16.20%07%0.071CC..Hα-helixtrans-66-39.6174.8-72173-178.6-171.5-5.4112.6L42 C44 F46 A51 K52 E80 F81 Y86 I134 P135L42-R48 WeakPolarHBondContact O-CG 3.18Å; L42-R48 PolarHBondContact O-NE 3.31Å; C44-R48 WeakPolarHBondContact O-CG 3.49Å; C44-R48 PolarHBondContact O-N 2.98Å; F46-R48 VanDerWaalsContact C-N 3.29Å; F46-R48 PolarHBondContact O-N 2.9Å; R48-A51 PolarHBondContact O-N 3.25Å; R48-K52 WeakPolarHBondContact O-CB 3.1Å; R48-K52 WeakPolarHBondContact O-CG 3.11Å; R48-K52 PolarHBondContact O-N 3.06Å; R48-E80 IonicContact CZ-OE1 3.37Å; R48-E80 IonicContact NH1-OE1 2.67Å; R48-E80 PolarHBondContact NH1-OE1 2.66Å; R48-E80 IonicContact NH2-OE1 3.08Å; R48-E80 PolarHBondContact NH2-OE1 3.03Å; R48-E80 IonicContact NH2-OE2 3.38Å; R48-F81 HydrophobicContact CG-CD2 4.03Å; R48-F81 HydrophobicContact CG-CE2 4.03Å; R48-Y86 HydrophobicContact CB-CD1 3.86Å; R48-Y86 HydrophobicContact CB-CD2 4.49Å; R48-Y86 HydrophobicContact CB-CE1 4.28Å; R48-Y86 HydrophobicContact CB-CG 3.99Å; R48-Y86 HydrophobicContact CG-CD1 4.08Å; R48-Y86 HydrophobicContact CG-CD2 3.84Å; R48-Y86 HydrophobicContact CG-CE1 4.36Å; R48-Y86 HydrophobicContact CG-CE2 4.14Å; R48-Y86 HydrophobicContact CG-CG 3.82Å; R48-I134 HydrophobicContact CB-CG2 3.38Å; R48-I134 HydrophobicContact CG-CG2 4.36Å; R48-P135 VanDerWaalsContact CD-O 3.22Å; R48-P135 WeakPolarHBondContact CD-O 3.27Å; R48-P135 PolarHBondContact NH1-O 3.44Å
49L94.9Very high94.8Very high8 Ų820.5 Ų20.54%0.04210%0.099CC..Hα-helixtrans-63.6-46.2173.1178.764.1000111.5K45 F46 A51 K52 N53 L125 K128 A129 A132 I134K45-L49 PolarHBondContact O-N 3.47Å; K45-L49 VanDerWaalsContact O-N 3.09Å; F46-L49 PolarHBondContact O-N 2.91Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.18Å; L49-K52 PolarHBondContact O-N 2.69Å; L49-N53 WeakPolarHBondContact O-CB 3.46Å; L49-N53 VanDerWaalsContact O-CG 3.23Å; L49-N53 PolarHBondContact O-N 3.1Å; L49-N53 PolarHBondContact O-OD1 3.23Å; L49-L125 HydrophobicContact CD2-CD1 3.7Å; L49-K128 HydrophobicContact CD2-CB 3.81Å; L49-A129 HydrophobicContact CB-CB 4.17Å; L49-A129 HydrophobicContact CD2-CB 3.88Å; L49-A129 HydrophobicContact CG-CB 4.48Å; L49-A132 HydrophobicContact CD1-CB 4.29Å; L49-I134 HydrophobicContact CB-CD1 3.91Å; L49-I134 HydrophobicContact CD1-CD1 3.77Å; L49-I134 HydrophobicContact CG-CD1 4.47Å
50E95.4Very high94.8Very high16 Ų1621 Ų218%0.07510%0.102CC..Hα-helixtrans-58-45.8174.9-179.6-178.8138.500111.5T37 F46 C47 K52 N53 L54 Y172T37-E50 PolarHBondContact OG1-OE1 3.08Å; F46-E50 PolarHBondContact O-N 3.13Å; C47-E50 PolarHBondContact O-N 2.91Å; E50-K52 PolarHBondContact O-N 2.95Å; E50-N53 PolarHBondContact O-N 2.9Å; E50-L54 HydrophobicContact CG-CD1 4.19Å; E50-L54 WeakPolarHBondContact O-CG 3.19Å; E50-L54 PolarHBondContact O-N 3.19Å; E50-Y172 WeakPolarHBondContact CA-OH 3.34Å
51A97Very high95.1Very high0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-60.4-44177.400000112.5F39 C47 R48 L49 L54 S55 F81 Y86 F87F39-A51 HydrophobicContact CE1-CB 3.83Å; F39-A51 HydrophobicContact CZ-CB 3.71Å; C47-A51 VanDerWaalsContact O-CB 3.31Å; C47-A51 WeakPolarHBondContact O-CB 3.34Å; C47-A51 PolarHBondContact O-N 3.46Å; R48-A51 PolarHBondContact O-N 3.25Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.18Å; A51-L54 PolarHBondContact O-N 3.09Å; A51-S55 WeakPolarHBondContact O-CB 3.29Å; A51-S55 PolarHBondContact O-N 3.39Å; A51-S55 PolarHBondContact O-OG 2.89Å; A51-F81 HydrophobicContact CB-CE2 3.91Å; A51-F81 HydrophobicContact CB-CZ 3.46Å; A51-F81 VanDerWaalsContact CB-CZ 3.46Å; A51-Y86 CarbonylContact C-O 3.56Å; A51-Y86 VanDerWaalsContact CB-O 3.22Å; A51-Y86 WeakPolarHBondContact CB-O 3.43Å; A51-F87 HydrophobicContact CB-CB 4.16Å; A51-F87 HydrophobicContact CB-CD2 4Å; A51-F87 HydrophobicContact CB-CG 4.48Å
52K95.4Very high95.4Very high55 Ų5523.4 Ų23.424%0.23912%0.118CC..Hα-helixtrans-62.8-45.1175.8-82.2-66.8-160.5-177.60111.4R48 L49 E50 L54 S55 Y56 H85 Y86 I134R48-K52 WeakPolarHBondContact O-CB 3.1Å; R48-K52 WeakPolarHBondContact O-CG 3.11Å; R48-K52 PolarHBondContact O-N 3.06Å; L49-K52 PolarHBondContact O-N 2.69Å; E50-K52 PolarHBondContact O-N 2.95Å; K52-L54 PolarHBondContact O-N 3.27Å; K52-S55 WeakPolarHBondContact O-CB 3.44Å; K52-S55 PolarHBondContact O-N 3.35Å; K52-S55 VanDerWaalsContact O-N 3.1Å; K52-Y56 WeakPolarHBondContact O-CD2 3.25Å; K52-Y56 PolarHBondContact O-N 3.27Å; K52-H85 WeakPolarHBondContact CE-O 3.37Å; K52-H85 PolarHBondContact NZ-O 3.12Å; K52-Y86 WeakPolarHBondContact CA-O 3.34Å; K52-Y86 HydrophobicContact CG-CD1 4.17Å; K52-Y86 PolarHBondContact N-O 3.36Å; K52-I134 HydrophobicContact CB-CD1 4.32Å; K52-I134 HydrophobicContact CG-CD1 4.04Å
53N94.8Very high95.4Very high16 Ų1627.6 Ų27.69%0.08615%0.153CC..Hα-helixtrans-58.9-48.3177.2-71.1-5.8000111.1L49 E50 S55 Y56 Y172 F189 V192L49-N53 WeakPolarHBondContact O-CB 3.46Å; L49-N53 VanDerWaalsContact O-CG 3.23Å; L49-N53 PolarHBondContact O-N 3.1Å; L49-N53 PolarHBondContact O-OD1 3.23Å; E50-N53 PolarHBondContact O-N 2.9Å; N53-S55 VanDerWaalsContact C-N 3.26Å; N53-S55 PolarHBondContact O-N 2.94Å; N53-Y56 WeakPolarHBondContact O-CB 3.32Å; N53-Y56 PolarHBondContact O-N 3.27Å; N53-Y172 HydrophobicContact CB-CE1 4.06Å; N53-Y172 HydrophobicContact CB-CE2 4.17Å; N53-Y172 WeakPolarHBondContact ND2-CE2 3.17Å; N53-F189 HydrophobicContact CB-CE2 4.11Å; N53-F189 WeakPolarHBondContact O-CD2 3.48Å; N53-F189 WeakPolarHBondContact O-CE2 3.42Å; N53-V192 WeakPolarHBondContact OD1-CG2 3.41Å
54L96.5Very high95.6Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-62.5-34.4175.7-69.5171.6000112.4T37 E50 A51 K52 Y56 L57 L68 L148 Y172 I175T37-L54 HydrophobicContact CG2-CD1 3.72Å; E50-L54 HydrophobicContact CG-CD1 4.19Å; E50-L54 WeakPolarHBondContact O-CG 3.19Å; E50-L54 PolarHBondContact O-N 3.19Å; A51-L54 PolarHBondContact O-N 3.09Å; K52-L54 PolarHBondContact O-N 3.27Å; L54-Y56 VanDerWaalsContact C-N 3.31Å; L54-Y56 PolarHBondContact O-N 3.32Å; L54-L57 HydrophobicContact CD2-CD1 4.4Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 2.98Å; L54-L57 VanDerWaalsContact O-N 3.08Å; L54-L68 HydrophobicContact CB-CD1 4.24Å; L54-L68 HydrophobicContact CB-CD2 4.36Å; L54-L148 HydrophobicContact CD1-CD1 3.96Å; L54-L148 HydrophobicContact CD2-CD1 3.8Å; L54-Y172 HydrophobicContact CD2-CE1 4.11Å; L54-Y172 HydrophobicContact CG-CE1 4.34Å; L54-I175 HydrophobicContact CD2-CD1 4.45Å
55S96.3Very high95.8Very high2 Ų236.8 Ų36.81%0.01419%0.193CC..Hα-helixtrans-68.4-29.1178.8-57.90000112.8A51 K52 N53 L57 K58 F87 D88A51-S55 WeakPolarHBondContact O-CB 3.29Å; A51-S55 PolarHBondContact O-N 3.39Å; A51-S55 PolarHBondContact O-OG 2.89Å; K52-S55 WeakPolarHBondContact O-CB 3.44Å; K52-S55 PolarHBondContact O-N 3.35Å; K52-S55 VanDerWaalsContact O-N 3.1Å; N53-S55 VanDerWaalsContact C-N 3.26Å; N53-S55 PolarHBondContact O-N 2.94Å; S55-L57 PolarHBondContact O-N 3.19Å; S55-K58 WeakPolarHBondContact O-CB 3.34Å; S55-K58 PolarHBondContact O-N 3.48Å; S55-F87 VanDerWaalsContact OG-CA 3.29Å; S55-F87 WeakPolarHBondContact OG-CA 3.37Å; S55-D88 WeakPolarHBondContact CB-OD2 3.47Å; S55-D88 PolarHBondContact OG-N 2.57Å
56Y94.3Very high96Very high86 Ų8635.7 Ų35.734%0.33719%0.189SC..Hα-helixtrans-60.8-24.1170.3-62.1-42.5000113.1K52 N53 L54 K58 V186 E188 F189 V192K52-Y56 WeakPolarHBondContact O-CD2 3.25Å; K52-Y56 PolarHBondContact O-N 3.27Å; N53-Y56 WeakPolarHBondContact O-CB 3.32Å; N53-Y56 PolarHBondContact O-N 3.27Å; L54-Y56 VanDerWaalsContact C-N 3.31Å; L54-Y56 PolarHBondContact O-N 3.32Å; Y56-K58 VanDerWaalsContact C-N 3.33Å; Y56-V186 WeakPolarHBondContact O-CG1 3.23Å; Y56-E188 HydrophobicContact CD1-CB 3.62Å; Y56-E188 HydrophobicContact CD1-CG 4.12Å; Y56-E188 HydrophobicContact CD2-CB 4.2Å; Y56-E188 HydrophobicContact CE1-CB 3.98Å; Y56-E188 HydrophobicContact CE1-CG 4.27Å; Y56-E188 HydrophobicContact CG-CB 3.76Å; Y56-F189 HydrophobicContact CD2-CD2 4.36Å; Y56-V192 HydrophobicContact CD2-CG2 4.49Å
57L95.3Very high96.2Very high0 Ų037.7 Ų37.70%020%0.198CC..THydrogen-bonded Turntrans-77.7-18.3173.4-59.7170000112.5I35 L54 S55 V60 L61 I175 I176 V186 F189I35-L57 HydrophobicContact CD1-CD1 4.47Å; L54-L57 HydrophobicContact CD2-CD1 4.4Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 2.98Å; L54-L57 VanDerWaalsContact O-N 3.08Å; S55-L57 PolarHBondContact O-N 3.19Å; L57-V60 WeakPolarHBondContact O-CG1 3.29Å; L57-V60 PolarHBondContact O-N 2.91Å; L57-V60 VanDerWaalsContact O-N 3.12Å; L57-L61 HydrophobicContact CB-CD1 3.74Å; L57-L61 HydrophobicContact CB-CG 3.99Å; L57-L61 VanDerWaalsContact O-CG 3.23Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 2.89Å; L57-I175 HydrophobicContact CD1-CG2 4.22Å; L57-I176 HydrophobicContact CD2-CD1 3.94Å; L57-I176 HydrophobicContact CD2-CG1 3.91Å; L57-V186 HydrophobicContact CD2-CB 4.5Å; L57-V186 HydrophobicContact CD2-CG1 3.88Å; L57-V186 HydrophobicContact CD2-CG2 4.07Å; L57-F189 HydrophobicContact CD1-CE1 4.5Å; L57-F189 HydrophobicContact CD1-CE2 4.27Å; L57-F189 HydrophobicContact CD1-CZ 3.92Å; L57-F189 HydrophobicContact CD2-CD1 4.07Å; L57-F189 HydrophobicContact CD2-CD2 4.42Å; L57-F189 HydrophobicContact CD2-CE1 3.93Å; L57-F189 HydrophobicContact CD2-CE2 4.34Å; L57-F189 HydrophobicContact CD2-CG 4.25Å; L57-F189 HydrophobicContact CD2-CZ 4.04Å; L57-F189 HydrophobicContact CG-CD2 4.39Å; L57-F189 HydrophobicContact CG-CE1 4.44Å; L57-F189 HydrophobicContact CG-CE2 4.07Å; L57-F189 HydrophobicContact CG-CZ 4.04Å
58K96.2Very high96.4Very high44 Ų4437.8 Ų37.819%0.19120%0.198CC..Hα-helixtrans-52.6-45.8-169.7-173.362.9162.671.30113.8S55 Y56 V60 L61 D62 L68 D88S55-K58 WeakPolarHBondContact O-CB 3.34Å; S55-K58 PolarHBondContact O-N 3.48Å; Y56-K58 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 2.82Å; K58-L61 PolarHBondContact O-N 2.8Å; K58-D62 IonicContact NZ-OD1 3.8Å; K58-D62 PolarHBondContact NZ-OD1 3.25Å; K58-D62 IonicContact NZ-OD2 3.74Å; K58-D62 PolarHBondContact NZ-OD2 2.71Å; K58-D62 VanDerWaalsContact O-CG 3.3Å; K58-D62 PolarHBondContact O-N 2.88Å; K58-L68 HydrophobicContact CD-CB 4.15Å; K58-L68 HydrophobicContact CD-CD2 4.29Å; K58-D88 HydrophobicContact CB-CB 4.21Å; K58-D88 WeakPolarHBondContact CE-O 3.49Å; K58-D88 HydrophobicContact CG-CB 4.05Å
59P95.9Very high96.5Very high93 Ų9337.8 Ų37.860%0.60420%0.198SC*.Hα-helixtrans-60.4-42.7179.5-24.635.7000113.7A63P59-A63 PolarHBondContact O-N 2.8Å; P59-A63 VanDerWaalsContact O-N 3.12Å
60V96.1Very high96.7Very high12 Ų1237.4 Ų37.47%0.07320%0.196CC..Hα-helixtrans-74.4-32.1179.568.40000112L57 K58 R64 I181 D185 V186L57-V60 WeakPolarHBondContact O-CG1 3.29Å; L57-V60 PolarHBondContact O-N 2.91Å; L57-V60 VanDerWaalsContact O-N 3.12Å; K58-V60 PolarHBondContact O-N 2.82Å; V60-R64 WeakPolarHBondContact O-CB 3.34Å; V60-R64 WeakPolarHBondContact O-CD 3.46Å; V60-R64 VanDerWaalsContact O-CG 3.28Å; V60-R64 WeakPolarHBondContact O-CG 3.39Å; V60-R64 PolarHBondContact O-N 2.8Å; V60-I181 HydrophobicContact CG1-CD1 4.05Å; V60-I181 HydrophobicContact CG1-CG2 4.05Å; V60-I181 HydrophobicContact CG2-CG1 4.4Å; V60-I181 HydrophobicContact CG2-CG2 3.97Å; V60-D185 HydrophobicContact CG2-CB 4.03Å; V60-V186 HydrophobicContact CB-CG2 4.36Å; V60-V186 HydrophobicContact CG1-CG2 3.67Å
61L97.6Very high96.9Very high0 Ų036.7 Ų36.70%019%0.193CC..Hα-helixtrans-64.9-44.9174.1-65174.3000110.5I35 L57 K58 R64 N65 I66 L68 L179 I181I35-L61 HydrophobicContact CD1-CD1 3.79Å; I35-L61 HydrophobicContact CD1-CD2 4.01Å; L57-L61 HydrophobicContact CB-CD1 3.74Å; L57-L61 HydrophobicContact CB-CG 3.99Å; L57-L61 VanDerWaalsContact O-CG 3.23Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 2.89Å; K58-L61 PolarHBondContact O-N 2.8Å; L61-R64 CarbonylContact O-C 3.57Å; L61-R64 PolarHBondContact O-N 2.81Å; L61-R64 VanDerWaalsContact O-N 3.12Å; L61-N65 PolarHBondContact O-N 3.48Å; L61-I66 HydrophobicContact CB-CB 4.11Å; L61-I66 HydrophobicContact CD2-CB 3.9Å; L61-I66 HydrophobicContact CD2-CD1 4.02Å; L61-I66 HydrophobicContact CD2-CG2 3.71Å; L61-I66 PolarHBondContact O-N 3.39Å; L61-L68 HydrophobicContact CD1-CB 4.1Å; L61-L179 HydrophobicContact CD2-CD1 3.81Å; L61-I181 HydrophobicContact CD2-CD1 3.86Å
62D97.4Very high96.9Very high87 Ų8736.7 Ų36.747%0.46519%0.193SC..Hα-helixtrans-62-46.4177.7-72-19.8000111.8K58 R64 N65K58-D62 IonicContact NZ-OD1 3.8Å; K58-D62 PolarHBondContact NZ-OD1 3.25Å; K58-D62 IonicContact NZ-OD2 3.74Å; K58-D62 PolarHBondContact NZ-OD2 2.71Å; K58-D62 VanDerWaalsContact O-CG 3.3Å; K58-D62 PolarHBondContact O-N 2.88Å; D62-R64 PolarHBondContact O-N 2.78Å; D62-R64 VanDerWaalsContact O-N 3.11Å; D62-N65 PolarHBondContact O-N 2.83Å
63A96.6Very high96.9Very high89 Ų8935.1 Ų35.174%0.73619%0.186SC*.Hα-helixtrans-59.3-24.8176.300000113.2P59P59-A63 PolarHBondContact O-N 2.8Å; P59-A63 VanDerWaalsContact O-N 3.12Å
64R96.9Very high97Very high99 Ų9935.2 Ų35.237%0.37419%0.187SC..THydrogen-bonded Turntrans-102.16.9179.3-66.7173.6179.5-120.21.9113.2V60 L61 D62 I66 K180 D185V60-R64 WeakPolarHBondContact O-CB 3.34Å; V60-R64 WeakPolarHBondContact O-CD 3.46Å; V60-R64 VanDerWaalsContact O-CG 3.28Å; V60-R64 WeakPolarHBondContact O-CG 3.39Å; V60-R64 PolarHBondContact O-N 2.8Å; L61-R64 CarbonylContact O-C 3.57Å; L61-R64 PolarHBondContact O-N 2.81Å; L61-R64 VanDerWaalsContact O-N 3.12Å; D62-R64 PolarHBondContact O-N 2.78Å; D62-R64 VanDerWaalsContact O-N 3.11Å; R64-I66 HydrophobicContact CB-CD1 3.81Å; R64-I66 HydrophobicContact CB-CG1 4.15Å; R64-I66 PolarHBondContact O-N 3.36Å; R64-K180 PolarHBondContact NH1-O 3.18Å; R64-D185 IonicContact NH2-OD2 2.83Å; R64-D185 PolarHBondContact NH2-OD2 3.39Å
65N97.5Very high96.9Very high105 Ų10539.8 Ų39.856%0.56121%0.208SC*.THydrogen-bonded Turntrans52.252.8-174.8-168.640.7000111.8Q32 L61 D62Q32-N65 VanDerWaalsContact CD-O 3.29Å; Q32-N65 VanDerWaalsContact CD-OD1 3.24Å; Q32-N65 WeakPolarHBondContact CG-O 3.4Å; Q32-N65 PolarHBondContact NE2-O 2.81Å; Q32-N65 PolarHBondContact NE2-OD1 3.47Å; L61-N65 PolarHBondContact O-N 3.48Å; D62-N65 PolarHBondContact O-N 2.83Å
66I98.5Very high96.8Very high12 Ų1243.4 Ų43.46%0.06225%0.246CC..EExtended strand (participates in β ladder)trans-116.3129.9174.8-60.8163.7000108.7T33 L61 R64 L179T33-I66 HydrophobicContact CG2-CG1 4.26Å; T33-I66 HydrophobicContact CG2-CG2 4.07Å; T33-I66 CarbonylContact O-C 3.4Å; T33-I66 WeakPolarHBondContact O-CA 3.45Å; L61-I66 HydrophobicContact CB-CB 4.11Å; L61-I66 HydrophobicContact CD2-CB 3.9Å; L61-I66 HydrophobicContact CD2-CD1 4.02Å; L61-I66 HydrophobicContact CD2-CG2 3.71Å; L61-I66 PolarHBondContact O-N 3.39Å; R64-I66 HydrophobicContact CB-CD1 3.81Å; R64-I66 HydrophobicContact CB-CG1 4.15Å; R64-I66 PolarHBondContact O-N 3.36Å; I66-L179 HydrophobicContact CD1-CD2 4.11Å
67K98.2Very high96.8Very high66 Ų6639.5 Ų39.529%0.28723%0.232SC..EExtended strand (participates in β ladder)trans-80.4146179.1-55.4-171.7179.2178.20111.5Q32 T33 C34 I35 M69Q32-K67 HydrophobicContact CB-CG 4.41Å; Q32-K67 HydrophobicContact CG-CG 4.08Å; Q32-K67 VanDerWaalsContact NE2-CG 3.27Å; T33-K67 PolarHBondContact O-N 3.01Å; C34-K67 CarbonylContact C-O 3.4Å; C34-K67 VanDerWaalsContact CA-O 3.3Å; C34-K67 WeakPolarHBondContact CA-O 3.38Å; C34-K67 HydrophobicContact CB-CB 3.84Å; I35-K67 PolarHBondContact N-O 2.96Å; K67-M69 HydrophobicContact CB-CG 4.15Å; K67-M69 HydrophobicContact CB-SD 3.81Å; K67-M69 HydrophobicContact CD-SD 4.25Å
68L98.6Very high96.8Very high3 Ų340.2 Ų40.22%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-115.8114.4167.1177.661000108.8I35 L54 K58 L61 F87 G89 D90I35-L68 HydrophobicContact CB-CD1 3.91Å; I35-L68 HydrophobicContact CG2-CD1 3.95Å; L54-L68 HydrophobicContact CB-CD1 4.24Å; L54-L68 HydrophobicContact CB-CD2 4.36Å; K58-L68 HydrophobicContact CD-CB 4.15Å; K58-L68 HydrophobicContact CD-CD2 4.29Å; L61-L68 HydrophobicContact CD1-CB 4.1Å; L68-F87 HydrophobicContact CD1-CE2 4.12Å; L68-F87 HydrophobicContact CD1-CZ 4.19Å; L68-F87 HydrophobicContact CD2-CE2 3.85Å; L68-F87 HydrophobicContact CD2-CZ 4.22Å; L68-F87 HydrophobicContact CG-CE2 3.83Å; L68-F87 HydrophobicContact CG-CZ 3.77Å; L68-G89 CarbonylContact O-C 3.58Å; L68-G89 WeakPolarHBondContact O-CA 3.1Å; L68-D90 PolarHBondContact O-N 3.48Å
69M98.4Very high96.8Very high1 Ų145 Ų451%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-121.5136.2-173.6-46.3-57.8-79.100110.3F28 I35 I36 T37 K67 D90 Y92F28-M69 HydrophobicContact CD1-CE 3.93Å; F28-M69 HydrophobicContact CD2-CB 4.25Å; F28-M69 HydrophobicContact CD2-CE 4.2Å; F28-M69 HydrophobicContact CD2-CG 3.99Å; F28-M69 HydrophobicContact CE1-CE 3.63Å; F28-M69 HydrophobicContact CE2-CB 4.15Å; F28-M69 HydrophobicContact CE2-CE 3.89Å; F28-M69 HydrophobicContact CE2-CG 4.22Å; F28-M69 HydrophobicContact CG-CE 4.21Å; F28-M69 HydrophobicContact CG-CG 4.37Å; F28-M69 HydrophobicContact CZ-CE 3.61Å; I35-M69 PolarHBondContact O-N 3.31Å; I36-M69 WeakPolarHBondContact CA-O 3.41Å; I36-M69 HydrophobicContact CG1-CB 4.35Å; T37-M69 PolarHBondContact N-O 3.03Å; K67-M69 HydrophobicContact CB-CG 4.15Å; K67-M69 HydrophobicContact CB-SD 3.81Å; K67-M69 HydrophobicContact CD-SD 4.25Å; M69-D90 CarbonylContact C-O 3.54Å; M69-D90 WeakPolarHBondContact CA-O 3.48Å; M69-D90 HydrophobicContact CE-CB 3.83Å; M69-D90 HydrophobicContact SD-CB 3.89Å; M69-Y92 HydrophobicContact CE-CD2 3.99Å; M69-Y92 HydrophobicContact CE-CE2 3.12Å
70G98.4Very high96.8Very high0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-110.9129.8170.500000110.5T37 D90 L91 Y92T37-G70 CarbonylContact O-C 3.5Å; T37-G70 WeakPolarHBondContact O-CA 3.46Å; G70-D90 PolarHBondContact N-O 3.34Å; G70-L91 CarbonylContact O-C 3.45Å; G70-L91 WeakPolarHBondContact O-CA 3.48Å; G70-Y92 PolarHBondContact O-N 3.43Å
71I98.4Very high96.9Very high0 Ų044.1 Ų44.10%024%0.244CC..EExtended strand (participates in β ladder)trans-109.3136.2169.6-55.2-55.2000108.4V14 L25 F28 I36 T37 F38 F39 Y92 D94 T99 Y100V14-I71 HydrophobicContact CB-CD1 4.3Å; V14-I71 HydrophobicContact CG1-CD1 4.01Å; V14-I71 HydrophobicContact CG1-CG2 4.37Å; V14-I71 HydrophobicContact CG2-CD1 4.2Å; L25-I71 HydrophobicContact CD1-CD1 3.81Å; L25-I71 HydrophobicContact CD1-CG1 4.09Å; F28-I71 HydrophobicContact CE2-CD1 3.93Å; F28-I71 HydrophobicContact CZ-CD1 4.48Å; I36-I71 HydrophobicContact CG2-CG1 3.76Å; T37-I71 PolarHBondContact O-N 2.7Å; F38-I71 CarbonylContact C-O 3.56Å; F38-I71 WeakPolarHBondContact CA-O 3.47Å; F38-I71 HydrophobicContact CD1-CB 3.65Å; F38-I71 HydrophobicContact CD1-CG1 4.03Å; F38-I71 HydrophobicContact CD1-CG2 3.94Å; F38-I71 HydrophobicContact CE1-CB 3.97Å; F38-I71 HydrophobicContact CE1-CG1 3.82Å; F38-I71 HydrophobicContact CE1-CG2 4.23Å; F38-I71 HydrophobicContact CG-CB 4.45Å; F39-I71 PolarHBondContact N-O 2.7Å; I71-Y92 CarbonylContact C-O 3.58Å; I71-Y92 WeakPolarHBondContact CA-O 3.37Å; I71-Y92 HydrophobicContact CD1-CG 4.3Å; I71-D94 HydrophobicContact CG2-CB 3.83Å; I71-T99 HydrophobicContact CG2-CG2 4.39Å; I71-Y100 HydrophobicContact CG2-CE2 4.28Å; I71-Y100 PolarHBondContact O-OH 2.76Å; I71-Y100 VanDerWaalsContact O-OH 3.07Å
72T97.6Very high96.8Very high0 Ų045.8 Ų45.80%025%0.253CS..EExtended strand (participates in β ladder)trans-147.9155174.2-166.20000112F39 L42 D74 L91 Y92 L93 D94 Y100F39-T72 WeakPolarHBondContact O-CB 3.45Å; F39-T72 PolarHBondContact O-OG1 3.02Å; L42-T72 HydrophobicContact CD1-CG2 3.92Å; L42-T72 HydrophobicContact CD2-CG2 4.35Å; L42-T72 HydrophobicContact CG-CG2 4.27Å; T72-D74 PolarHBondContact OG1-N 3.3Å; T72-D74 VanDerWaalsContact OG1-N 3.16Å; T72-L91 HydrophobicContact CG2-CD1 4.17Å; T72-Y92 PolarHBondContact N-O 2.83Å; T72-L93 HydrophobicContact CG2-CD2 3.83Å; T72-L93 CarbonylContact O-C 3.5Å; T72-L93 VanDerWaalsContact O-CA 3.24Å; T72-L93 WeakPolarHBondContact O-CA 3.38Å; T72-D94 PolarHBondContact O-N 2.83Å; T72-Y100 WeakPolarHBondContact CA-OH 3.35Å
73F96.1Very high96.8Very high22 Ų2246 Ų4610%0.09625%0.254CS..SBendtrans-101-4.6166.463.1-94.4000112.1R40 E75 D94 R97 Y100 D141 Q144R40-F73 WeakPolarHBondContact O-CE1 3.36Å; R40-F73 WeakPolarHBondContact O-CZ 3.49Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.39Å; F73-D94 WeakPolarHBondContact CB-O 3.38Å; F73-R97 HydrophobicContact CB-CG 3.72Å; F73-R97 HydrophobicContact CD1-CG 3.96Å; F73-R97 HydrophobicContact CD2-CG 4.37Å; F73-R97 VanDerWaalsContact CE2-CZ 3.41Å; F73-R97 VanDerWaalsContact CE2-NH2 3.26Å; F73-R97 HydrophobicContact CG-CG 3.74Å; F73-Y100 HydrophobicContact CD1-CD1 4.42Å; F73-Y100 HydrophobicContact CD1-CD2 4.12Å; F73-Y100 HydrophobicContact CD1-CE1 4.01Å; F73-Y100 AromaticContact CD1-CE2 3.71Å; F73-Y100 HydrophobicContact CD1-CE2 3.71Å; F73-Y100 HydrophobicContact CD1-CG 4.48Å; F73-Y100 AromaticContact CD1-CZ 3.65Å; F73-Y100 HydrophobicContact CE1-CD1 4.35Å; F73-Y100 AromaticContact CE1-CE1 3.94Å; F73-Y100 HydrophobicContact CE1-CE1 3.94Å; F73-Y100 HydrophobicContact CE1-CE2 4.46Å; F73-D141 HydrophobicContact CE2-CB 3.98Å; F73-D141 HydrophobicContact CZ-CB 4.27Å; F73-Q144 HydrophobicContact CE1-CB 4.02Å; F73-Q144 HydrophobicContact CE1-CG 3.53Å; F73-Q144 HydrophobicContact CZ-CB 3.76Å; F73-Q144 HydrophobicContact CZ-CG 3.82Å
74D95.8Very high96.8Very high19 Ų1943.1 Ų43.110%0.10223%0.232CC..  trans-84.767.9-174.6-174.721.2000111.6R41 L42 T72 G76 G77R41-D74 WeakPolarHBondContact CA-OD2 3.13Å; L42-D74 HydrophobicContact CG-CB 4.27Å; L42-D74 PolarHBondContact N-OD2 2.58Å; T72-D74 PolarHBondContact OG1-N 3.3Å; T72-D74 VanDerWaalsContact OG1-N 3.16Å; D74-G76 VanDerWaalsContact C-N 3.26Å; D74-G76 PolarHBondContact O-N 3.16Å; D74-G77 PolarHBondContact O-N 2.94Å; D74-G77 VanDerWaalsContact O-N 3.07Å; D74-G77 PolarHBondContact OD1-N 3.19Å
75E94.2Very high96.7Very high95 Ų9544.5 Ų44.544%0.44424%0.243SC..G310 helixtrans-56.7-38.5-178.4-177.4164.9-156.500112.7F73 G77 V78 L93 R95F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.39Å; E75-G77 PolarHBondContact O-N 2.9Å; E75-V78 WeakPolarHBondContact O-CB 3.13Å; E75-V78 WeakPolarHBondContact O-CG2 3.24Å; E75-V78 PolarHBondContact O-N 3.37Å; E75-L93 HydrophobicContact CB-CD1 4.42Å; E75-L93 HydrophobicContact CB-CD2 4.06Å; E75-L93 HydrophobicContact CG-CD1 4.02Å; E75-R95 VanDerWaalsContact CD-NE 3.34Å; E75-R95 IonicContact OE1-CZ 3.44Å; E75-R95 IonicContact OE1-NE 3.29Å; E75-R95 PolarHBondContact OE1-NE 3.18Å; E75-R95 IonicContact OE1-NH2 3.51Å; E75-R95 PolarHBondContact OE1-NH2 3.21Å; E75-R95 IonicContact OE2-CZ 2.71Å; E75-R95 IonicContact OE2-NE 2.7Å; E75-R95 PolarHBondContact OE2-NE 2.85Å; E75-R95 IonicContact OE2-NH2 3.02Å
76G94.1Very high96.7Very high78 Ų7840.6 Ų40.680%0.80422%0.221SC*.G310 helixtrans-65.7-22.1178.600000114.2D74D74-G76 VanDerWaalsContact C-N 3.26Å; D74-G76 PolarHBondContact O-N 3.16Å
77G95.5Very high96.7Very high5 Ų540.5 Ų40.55%0.05222%0.22CC..G310 helixtrans-88.9-11.3178.200000114.8D74 E75 K79 F81D74-G77 PolarHBondContact O-N 2.94Å; D74-G77 VanDerWaalsContact O-N 3.07Å; D74-G77 PolarHBondContact OD1-N 3.19Å; E75-G77 PolarHBondContact O-N 2.9Å; G77-K79 PolarHBondContact O-N 3.3Å; G77-F81 VanDerWaalsContact O-CB 3.23Å; G77-F81 WeakPolarHBondContact O-CB 3.23Å; G77-F81 PolarHBondContact O-N 3.29Å
78V96.1Very high96.6Very high15 Ų1541.7 Ų41.79%0.09123%0.229CC..Hα-helixtrans-57.9-51.1-171.5169.30000111.9A17 L42 E75 E80 F81 L82 L91 L93A17-V78 HydrophobicContact CB-CG1 4.02Å; A17-V78 HydrophobicContact CB-CG2 4.47Å; L42-V78 HydrophobicContact CD1-CB 4.36Å; L42-V78 HydrophobicContact CD1-CG2 3.85Å; E75-V78 WeakPolarHBondContact O-CB 3.13Å; E75-V78 WeakPolarHBondContact O-CG2 3.24Å; E75-V78 PolarHBondContact O-N 3.37Å; V78-E80 PolarHBondContact O-N 3.27Å; V78-F81 PolarHBondContact O-N 3.45Å; V78-L82 HydrophobicContact CG1-CD1 3.75Å; V78-L82 HydrophobicContact CG1-CG 4.32Å; V78-L82 WeakPolarHBondContact O-CG 3.26Å; V78-L82 PolarHBondContact O-N 3.46Å; V78-L91 HydrophobicContact CG1-CD2 4.23Å; V78-L91 HydrophobicContact CG2-CD2 4.27Å; V78-L93 HydrophobicContact CG2-CD2 3.86Å
79K95.6Very high96.6Very high143 Ų14342 Ų4262%0.62223%0.233SC*.Hα-helixtrans-59.2-53.6-175-166.5-162.6-174.6-43.10111.4G77 F81 L82 D83G77-K79 PolarHBondContact O-N 3.3Å; K79-F81 PolarHBondContact O-N 3.15Å; K79-L82 PolarHBondContact O-N 2.95Å; K79-D83 VanDerWaalsContact NZ-CG 3.32Å; K79-D83 IonicContact NZ-OD1 3.25Å; K79-D83 PolarHBondContact NZ-OD1 2.92Å; K79-D83 IonicContact NZ-OD2 3.41Å; K79-D83 PolarHBondContact NZ-OD2 2.9Å; K79-D83 WeakPolarHBondContact O-CB 3.33Å; K79-D83 PolarHBondContact O-N 3.46Å
80E95.9Very high96.5Very high87 Ų8746.4 Ų46.441%0.40726%0.257SS..Hα-helixtrans-61.5-33.1-179.8-167-169.215300111.8R48 V78 G84 N137R48-E80 IonicContact CZ-OE1 3.37Å; R48-E80 IonicContact NH1-OE1 2.67Å; R48-E80 PolarHBondContact NH1-OE1 2.66Å; R48-E80 IonicContact NH2-OE1 3.08Å; R48-E80 PolarHBondContact NH2-OE1 3.03Å; R48-E80 IonicContact NH2-OE2 3.38Å; V78-E80 PolarHBondContact O-N 3.27Å; E80-G84 PolarHBondContact O-N 3.28Å; E80-G84 VanDerWaalsContact O-N 3.09Å; E80-N137 PolarHBondContact OE2-ND2 3.43Å
81F97.2Very high96.5Very high0 Ų047 Ų470%026%0.26CS..Hα-helixtrans-71.8-41.2-179.4-173.4-105.1000113.1F39 L42 R48 A51 G77 V78 K79 Y86 F87 L91F39-F81 HydrophobicContact CE2-CE1 4.41Å; F39-F81 HydrophobicContact CE2-CZ 4.2Å; F39-F81 HydrophobicContact CZ-CZ 4.22Å; L42-F81 HydrophobicContact CB-CB 3.84Å; L42-F81 HydrophobicContact CB-CD2 3.84Å; L42-F81 HydrophobicContact CB-CG 3.88Å; L42-F81 HydrophobicContact CD1-CB 4Å; L42-F81 HydrophobicContact CD1-CD1 4.23Å; L42-F81 HydrophobicContact CD1-CG 4.14Å; L42-F81 HydrophobicContact CD2-CD1 3.91Å; L42-F81 HydrophobicContact CD2-CD2 3.99Å; L42-F81 HydrophobicContact CD2-CE1 3.87Å; L42-F81 HydrophobicContact CD2-CE2 3.98Å; L42-F81 HydrophobicContact CD2-CG 3.94Å; L42-F81 HydrophobicContact CD2-CZ 3.9Å; L42-F81 HydrophobicContact CG-CB 4.39Å; L42-F81 HydrophobicContact CG-CD1 4.49Å; L42-F81 HydrophobicContact CG-CD2 4.42Å; L42-F81 HydrophobicContact CG-CG 4.22Å; L42-F81 WeakPolarHBondContact O-CD2 3.45Å; R48-F81 HydrophobicContact CG-CD2 4.03Å; R48-F81 HydrophobicContact CG-CE2 4.03Å; A51-F81 HydrophobicContact CB-CE2 3.91Å; A51-F81 HydrophobicContact CB-CZ 3.46Å; A51-F81 VanDerWaalsContact CB-CZ 3.46Å; G77-F81 VanDerWaalsContact O-CB 3.23Å; G77-F81 WeakPolarHBondContact O-CB 3.23Å; G77-F81 PolarHBondContact O-N 3.29Å; V78-F81 PolarHBondContact O-N 3.45Å; K79-F81 PolarHBondContact O-N 3.15Å; F81-Y86 AromaticContact CD2-CD2 3.91Å; F81-Y86 HydrophobicContact CD2-CD2 3.91Å; F81-Y86 HydrophobicContact CD2-CG 4.35Å; F81-Y86 HydrophobicContact CE2-CD2 4.48Å; F81-Y86 HydrophobicContact CE2-CG 4.48Å; F81-Y86 HydrophobicContact CG-CD2 4.43Å; F81-Y86 VanDerWaalsContact O-CD2 3.29Å; F81-Y86 WeakPolarHBondContact O-CD2 3.31Å; F81-Y86 PolarHBondContact O-N 2.89Å; F81-F87 HydrophobicContact CD1-CB 4.27Å; F81-F87 HydrophobicContact CE1-CB 3.33Å; F81-F87 HydrophobicContact CE1-CD1 4.41Å; F81-F87 HydrophobicContact CE1-CG 4.05Å; F81-F87 HydrophobicContact CZ-CB 3.7Å; F81-F87 HydrophobicContact CZ-CG 4.4Å; F81-L91 HydrophobicContact CD1-CD2 4.08Å; F81-L91 HydrophobicContact CE1-CD2 4.44Å
82L96.4Very high96.5Very high36 Ų3648 Ų4819%0.18826%0.264CS..Hα-helixtrans-75.4-43.4177.2-63.5179.9000111.7L18 V78 K79 G84 H85 L91L18-L82 HydrophobicContact CD1-CD1 4.15Å; L18-L82 HydrophobicContact CD2-CD1 3.5Å; L18-L82 VanDerWaalsContact CD2-CD1 3.5Å; L18-L82 HydrophobicContact CG-CD1 3.82Å; V78-L82 HydrophobicContact CG1-CD1 3.75Å; V78-L82 HydrophobicContact CG1-CG 4.32Å; V78-L82 WeakPolarHBondContact O-CG 3.26Å; V78-L82 PolarHBondContact O-N 3.46Å; K79-L82 PolarHBondContact O-N 2.95Å; L82-G84 PolarHBondContact O-N 3.12Å; L82-H85 PolarHBondContact O-N 3.45Å; L82-L91 HydrophobicContact CD1-CD2 4.5Å; L82-L91 HydrophobicContact CD2-CD2 4.05Å; L82-L91 HydrophobicContact CG-CD2 4.3Å
83D96.3Very high96.6Very high92 Ų9248.3 Ų48.349%0.49227%0.265SS..Hα-helixtrans-59.6-33.1175.2-68.8-10.9000111.9K79 H85K79-D83 VanDerWaalsContact NZ-CG 3.32Å; K79-D83 IonicContact NZ-OD1 3.25Å; K79-D83 PolarHBondContact NZ-OD1 2.92Å; K79-D83 IonicContact NZ-OD2 3.41Å; K79-D83 PolarHBondContact NZ-OD2 2.9Å; K79-D83 WeakPolarHBondContact O-CB 3.33Å; K79-D83 PolarHBondContact O-N 3.46Å; D83-H85 PolarHBondContact O-CD2 3.45Å; D83-H85 VanDerWaalsContact O-CD2 3.31Å; D83-H85 PolarHBondContact O-N 3.4Å
84G96.5Very high96.6Very high27 Ų2747.4 Ų47.428%0.27826%0.261SS..THydrogen-bonded Turntrans-78.50.2175.900000114.5E80 L82 Y86E80-G84 PolarHBondContact O-N 3.28Å; E80-G84 VanDerWaalsContact O-N 3.09Å; L82-G84 PolarHBondContact O-N 3.12Å; G84-Y86 PolarHBondContact O-N 3.47Å; G84-Y86 VanDerWaalsContact O-N 3.15Å
85H96.4Very high96.5Very high128 Ų12851.8 Ų51.859%0.59328%0.277SS*.THydrogen-bonded Turntrans51.635.4-178.4-57.8-76.7000113K52 L82 D83 F87K52-H85 WeakPolarHBondContact CE-O 3.37Å; K52-H85 PolarHBondContact NZ-O 3.12Å; L82-H85 PolarHBondContact O-N 3.45Å; D83-H85 PolarHBondContact O-CD2 3.45Å; D83-H85 VanDerWaalsContact O-CD2 3.31Å; D83-H85 PolarHBondContact O-N 3.4Å; H85-F87 VanDerWaalsContact C-N 3.27Å; H85-F87 PolarHBondContact O-N 2.92Å
86Y96.9Very high96.6Very high24 Ų2452.8 Ų52.89%0.09428%0.281CS..  trans-75.7-18.6-177.8-58.7-68.4000112.9R48 A51 K52 F81 G84 I134 P135R48-Y86 HydrophobicContact CB-CD1 3.86Å; R48-Y86 HydrophobicContact CB-CD2 4.49Å; R48-Y86 HydrophobicContact CB-CE1 4.28Å; R48-Y86 HydrophobicContact CB-CG 3.99Å; R48-Y86 HydrophobicContact CG-CD1 4.08Å; R48-Y86 HydrophobicContact CG-CD2 3.84Å; R48-Y86 HydrophobicContact CG-CE1 4.36Å; R48-Y86 HydrophobicContact CG-CE2 4.14Å; R48-Y86 HydrophobicContact CG-CG 3.82Å; A51-Y86 CarbonylContact C-O 3.56Å; A51-Y86 VanDerWaalsContact CB-O 3.22Å; A51-Y86 WeakPolarHBondContact CB-O 3.43Å; K52-Y86 WeakPolarHBondContact CA-O 3.34Å; K52-Y86 HydrophobicContact CG-CD1 4.17Å; K52-Y86 PolarHBondContact N-O 3.36Å; F81-Y86 AromaticContact CD2-CD2 3.91Å; F81-Y86 HydrophobicContact CD2-CD2 3.91Å; F81-Y86 HydrophobicContact CD2-CG 4.35Å; F81-Y86 HydrophobicContact CE2-CD2 4.48Å; F81-Y86 HydrophobicContact CE2-CG 4.48Å; F81-Y86 HydrophobicContact CG-CD2 4.43Å; F81-Y86 VanDerWaalsContact O-CD2 3.29Å; F81-Y86 WeakPolarHBondContact O-CD2 3.31Å; F81-Y86 PolarHBondContact O-N 2.89Å; G84-Y86 PolarHBondContact O-N 3.47Å; G84-Y86 VanDerWaalsContact O-N 3.15Å; Y86-I134 HydrophobicContact CD1-CG2 4.49Å; Y86-I134 HydrophobicContact CE1-CG2 4.11Å; Y86-P135 WeakPolarHBondContact OH-CD 3.24Å; Y86-P135 WeakPolarHBondContact OH-CG 3.45Å
87F97.9Very high96.7Very high10 Ų1051.9 Ų51.94%0.04425%0.253CS..  trans-140124.1-175.2-167.2-120.4000111.7T37 F39 A51 S55 L68 F81 H85 G89T37-F87 HydrophobicContact CG2-CE2 4.21Å; T37-F87 HydrophobicContact CG2-CZ 4.22Å; F39-F87 HydrophobicContact CE2-CD1 4.35Å; F39-F87 HydrophobicContact CE2-CD2 4.16Å; F39-F87 HydrophobicContact CE2-CE1 4.26Å; F39-F87 HydrophobicContact CE2-CE2 4.07Å; F39-F87 HydrophobicContact CE2-CG 4.29Å; F39-F87 HydrophobicContact CE2-CZ 4.11Å; F39-F87 AromaticContact CZ-CD2 3.87Å; F39-F87 HydrophobicContact CZ-CD2 3.87Å; F39-F87 AromaticContact CZ-CE2 3.85Å; F39-F87 HydrophobicContact CZ-CE2 3.85Å; F39-F87 HydrophobicContact CZ-CG 4.37Å; F39-F87 HydrophobicContact CZ-CZ 4.34Å; A51-F87 HydrophobicContact CB-CB 4.16Å; A51-F87 HydrophobicContact CB-CD2 4Å; A51-F87 HydrophobicContact CB-CG 4.48Å; S55-F87 VanDerWaalsContact OG-CA 3.29Å; S55-F87 WeakPolarHBondContact OG-CA 3.37Å; L68-F87 HydrophobicContact CD1-CE2 4.12Å; L68-F87 HydrophobicContact CD1-CZ 4.19Å; L68-F87 HydrophobicContact CD2-CE2 3.85Å; L68-F87 HydrophobicContact CD2-CZ 4.22Å; L68-F87 HydrophobicContact CG-CE2 3.83Å; L68-F87 HydrophobicContact CG-CZ 3.77Å; F81-F87 HydrophobicContact CD1-CB 4.27Å; F81-F87 HydrophobicContact CE1-CB 3.33Å; F81-F87 HydrophobicContact CE1-CD1 4.41Å; F81-F87 HydrophobicContact CE1-CG 4.05Å; F81-F87 HydrophobicContact CZ-CB 3.7Å; F81-F87 HydrophobicContact CZ-CG 4.4Å; H85-F87 VanDerWaalsContact C-N 3.27Å; H85-F87 PolarHBondContact O-N 2.92Å; F87-G89 WeakPolarHBondContact CD1-O 3.32Å; F87-G89 VanDerWaalsContact CE1-CA 3.45Å; F87-G89 WeakPolarHBondContact CE1-O 3.39Å
88D97.1Very high96.8Very high91 Ų9155.9 Ų55.949%0.48727%0.269SS..  trans-97.6-0.5179.4-63.5-24.8000112.8S55 K58S55-D88 WeakPolarHBondContact CB-OD2 3.47Å; S55-D88 PolarHBondContact OG-N 2.57Å; K58-D88 HydrophobicContact CB-CB 4.21Å; K58-D88 WeakPolarHBondContact CE-O 3.49Å; K58-D88 HydrophobicContact CG-CB 4.05Å
89G97.6Very high96.8Very high10 Ų1055.1 Ų55.110%0.10327%0.265CS..SBendtrans-88.2175.9174.500000113.7L68 F87L68-G89 CarbonylContact O-C 3.58Å; L68-G89 WeakPolarHBondContact O-CA 3.1Å; F87-G89 WeakPolarHBondContact CD1-O 3.32Å; F87-G89 VanDerWaalsContact CE1-CA 3.45Å; F87-G89 WeakPolarHBondContact CE1-O 3.39Å
90D97.5Very high96.9Very high93 Ų9348.5 Ų48.550%0.49724%0.236SC..EExtended strand (participates in β ladder)trans-79.4126177.5-62.1-43.9000110.6L68 M69 G70 Y92L68-D90 PolarHBondContact O-N 3.48Å; M69-D90 CarbonylContact C-O 3.54Å; M69-D90 WeakPolarHBondContact CA-O 3.48Å; M69-D90 HydrophobicContact CE-CB 3.83Å; M69-D90 HydrophobicContact SD-CB 3.89Å; G70-D90 PolarHBondContact N-O 3.34Å; D90-Y92 HydrophobicContact CB-CD2 4.41Å; D90-Y92 HydrophobicContact CB-CE2 3.62Å
91L98.3Very high96.9Very high11 Ų1151.2 Ų51.26%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-101.1135.5-177.9-170.866.8000111.7A17 F39 L42 G70 T72 V78 F81 L82A17-L91 HydrophobicContact CB-CB 3.98Å; A17-L91 HydrophobicContact CB-CD2 4.06Å; A17-L91 HydrophobicContact CB-CG 3.9Å; A17-L91 WeakPolarHBondContact CB-O 3.43Å; A17-L91 PolarHBondContact N-O 3.06Å; F39-L91 HydrophobicContact CD2-CD1 4.13Å; F39-L91 HydrophobicContact CE2-CD1 4.36Å; L42-L91 HydrophobicContact CD1-CD2 4.18Å; G70-L91 CarbonylContact O-C 3.45Å; G70-L91 WeakPolarHBondContact O-CA 3.48Å; T72-L91 HydrophobicContact CG2-CD1 4.17Å; V78-L91 HydrophobicContact CG1-CD2 4.23Å; V78-L91 HydrophobicContact CG2-CD2 4.27Å; F81-L91 HydrophobicContact CD1-CD2 4.08Å; F81-L91 HydrophobicContact CE1-CD2 4.44Å; L82-L91 HydrophobicContact CD1-CD2 4.5Å; L82-L91 HydrophobicContact CD2-CD2 4.05Å; L82-L91 HydrophobicContact CG-CD2 4.3Å
92Y98.4Very high96.9Very high23 Ų2352.2 Ų52.29%0.0926%0.255CS..EExtended strand (participates in β ladder)trans-132.6151.6-179.4-66.2-105.4000112.4V14 H15 F28 M69 G70 I71 T72 D90V14-Y92 HydrophobicContact CB-CD1 4.36Å; V14-Y92 HydrophobicContact CG2-CD1 3.74Å; V14-Y92 HydrophobicContact CG2-CG 4.08Å; H15-Y92 CarbonylContact O-C 3.56Å; H15-Y92 WeakPolarHBondContact O-CA 3.41Å; H15-Y92 WeakPolarHBondContact O-CB 3.42Å; F28-Y92 HydrophobicContact CE1-CE1 4.18Å; F28-Y92 HydrophobicContact CE1-CE2 4.33Å; F28-Y92 AromaticContact CE1-CZ 3.97Å; F28-Y92 HydrophobicContact CZ-CD1 4.09Å; F28-Y92 AromaticContact CZ-CD2 3.94Å; F28-Y92 HydrophobicContact CZ-CD2 3.94Å; F28-Y92 AromaticContact CZ-CE1 3.97Å; F28-Y92 HydrophobicContact CZ-CE1 3.97Å; F28-Y92 AromaticContact CZ-CE2 3.85Å; F28-Y92 HydrophobicContact CZ-CE2 3.85Å; F28-Y92 HydrophobicContact CZ-CG 4.09Å; F28-Y92 AromaticContact CZ-CZ 3.84Å; M69-Y92 HydrophobicContact CE-CD2 3.99Å; M69-Y92 HydrophobicContact CE-CE2 3.12Å; G70-Y92 PolarHBondContact O-N 3.43Å; I71-Y92 CarbonylContact C-O 3.58Å; I71-Y92 WeakPolarHBondContact CA-O 3.37Å; I71-Y92 HydrophobicContact CD1-CG 4.3Å; T72-Y92 PolarHBondContact N-O 2.83Å; D90-Y92 HydrophobicContact CB-CD2 4.41Å; D90-Y92 HydrophobicContact CB-CE2 3.62Å
93L98Very high96.9Very high5 Ų550.8 Ų50.83%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-103.1123.6-179.1-67.2171.9000112.3H15 A17 T72 E75 V78 R95H15-L93 HydrophobicContact CB-CB 4.4Å; H15-L93 PolarHBondContact N-O 3.12Å; H15-L93 PolarHBondContact ND1-O 2.79Å; H15-L93 PolarHBondContact O-N 3.22Å; A17-L93 HydrophobicContact CB-CG 4.28Å; T72-L93 HydrophobicContact CG2-CD2 3.83Å; T72-L93 CarbonylContact O-C 3.5Å; T72-L93 VanDerWaalsContact O-CA 3.24Å; T72-L93 WeakPolarHBondContact O-CA 3.38Å; E75-L93 HydrophobicContact CB-CD1 4.42Å; E75-L93 HydrophobicContact CB-CD2 4.06Å; E75-L93 HydrophobicContact CG-CD1 4.02Å; V78-L93 HydrophobicContact CG2-CD2 3.86Å; L93-R95 HydrophobicContact CB-CG 4.42Å
94D97.1Very high96.9Very high3 Ų352.3 Ų52.32%0.01625%0.252CS..  trans-111.573.3165.8175.823.3000109.5V14 I71 T72 F73 E96 R97 K98 T99 Y100V14-D94 HydrophobicContact CG1-CB 4.31Å; I71-D94 HydrophobicContact CG2-CB 3.83Å; T72-D94 PolarHBondContact O-N 2.83Å; F73-D94 WeakPolarHBondContact CB-O 3.38Å; D94-E96 PolarHBondContact O-N 2.88Å; D94-E96 VanDerWaalsContact O-N 3.16Å; D94-R97 PolarHBondContact O-N 2.81Å; D94-R97 PolarHBondContact OD1-N 3.16Å; D94-R97 WeakPolarHBondContact OD2-CA 3.36Å; D94-K98 PolarHBondContact OD1-N 3.24Å; D94-K98 PolarHBondContact OD2-N 3.25Å; D94-T99 HydrophobicContact CB-CG2 4.42Å; D94-T99 PolarHBondContact OD2-N 2.71Å; D94-T99 PolarHBondContact OD2-OG1 3Å; D94-Y100 WeakPolarHBondContact OD2-CD2 3.22Å
95R94.4Very high96.8Very high112 Ų11251.6 Ų51.642%0.42324%0.24SC..THydrogen-bonded Turntrans-55.6-35.2-174.2-64.8-178.4176.587.10.1113.3E75 L93 R97E75-R95 VanDerWaalsContact CD-NE 3.34Å; E75-R95 IonicContact OE1-CZ 3.44Å; E75-R95 IonicContact OE1-NE 3.29Å; E75-R95 PolarHBondContact OE1-NE 3.18Å; E75-R95 IonicContact OE1-NH2 3.51Å; E75-R95 PolarHBondContact OE1-NH2 3.21Å; E75-R95 IonicContact OE2-CZ 2.71Å; E75-R95 IonicContact OE2-NE 2.7Å; E75-R95 PolarHBondContact OE2-NE 2.85Å; E75-R95 IonicContact OE2-NH2 3.02Å; L93-R95 HydrophobicContact CB-CG 4.42Å; R95-R97 VanDerWaalsContact C-N 3.33Å
96E95.2Very high96.6Very high115 Ų11552.4 Ų52.454%0.53724%0.242SC..THydrogen-bonded Turntrans-89.10.7-178-67.8-179.9-100.600113.8D94 K98 K101D94-E96 PolarHBondContact O-N 2.88Å; D94-E96 VanDerWaalsContact O-N 3.16Å; E96-K98 HydrophobicContact CB-CD 4.19Å; E96-K98 HydrophobicContact CB-CG 3.97Å; E96-K98 VanDerWaalsContact CD-CE 3.47Å; E96-K98 PolarHBondContact O-N 3.07Å; E96-K98 WeakPolarHBondContact OE1-CE 3.31Å; E96-K98 IonicContact OE1-NZ 2.69Å; E96-K98 PolarHBondContact OE1-NZ 3.29Å; E96-K98 WeakPolarHBondContact OE2-CE 3.4Å; E96-K98 IonicContact OE2-NZ 2.89Å; E96-K98 PolarHBondContact OE2-NZ 3.45Å; E96-K101 PolarHBondContact O-NZ 3.48Å
97R96Very high96.4Very high59 Ų5957.3 Ų57.322%0.22326%0.264CS..  trans58.230.9-177.7-49.8-176.8-172.7-165.11.4112.7F73 D94 R95 Y100 K101 D141F73-R97 HydrophobicContact CB-CG 3.72Å; F73-R97 HydrophobicContact CD1-CG 3.96Å; F73-R97 HydrophobicContact CD2-CG 4.37Å; F73-R97 VanDerWaalsContact CE2-CZ 3.41Å; F73-R97 VanDerWaalsContact CE2-NH2 3.26Å; F73-R97 HydrophobicContact CG-CG 3.74Å; D94-R97 PolarHBondContact O-N 2.81Å; D94-R97 PolarHBondContact OD1-N 3.16Å; D94-R97 WeakPolarHBondContact OD2-CA 3.36Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R97-Y100 HydrophobicContact CB-CD2 4.25Å; R97-Y100 PolarHBondContact O-N 3.16Å; R97-K101 WeakPolarHBondContact O-CD 3.48Å; R97-K101 VanDerWaalsContact O-CG 3.28Å; R97-K101 WeakPolarHBondContact O-CG 3.28Å; R97-K101 PolarHBondContact O-N 2.81Å; R97-D141 IonicContact CZ-OD2 2.57Å; R97-D141 IonicContact NH1-OD2 2.75Å; R97-D141 PolarHBondContact NH1-OD2 3.03Å; R97-D141 IonicContact NH2-OD2 3.27Å; R97-D141 PolarHBondContact NH2-OD2 2.88Å; R97-D141 VanDerWaalsContact NH2-OD2 3.08Å
98K97.2Very high96.1Very high89 Ų8957.9 Ų57.939%0.38727%0.268SS..Hα-helixtrans-63.1-41.3-178.6-75.9173.3172.21600111.6D94 E96 K101 A102D94-K98 PolarHBondContact OD1-N 3.24Å; D94-K98 PolarHBondContact OD2-N 3.25Å; E96-K98 HydrophobicContact CB-CD 4.19Å; E96-K98 HydrophobicContact CB-CG 3.97Å; E96-K98 VanDerWaalsContact CD-CE 3.47Å; E96-K98 PolarHBondContact O-N 3.07Å; E96-K98 WeakPolarHBondContact OE1-CE 3.31Å; E96-K98 IonicContact OE1-NZ 2.69Å; E96-K98 PolarHBondContact OE1-NZ 3.29Å; E96-K98 WeakPolarHBondContact OE2-CE 3.4Å; E96-K98 IonicContact OE2-NZ 2.89Å; E96-K98 PolarHBondContact OE2-NZ 3.45Å; K98-K101 PolarHBondContact O-N 3.05Å; K98-A102 VanDerWaalsContact O-CB 3.31Å; K98-A102 WeakPolarHBondContact O-CB 3.36Å; K98-A102 PolarHBondContact O-N 3.07Å
99T97.9Very high95.9Very high0 Ų056.7 Ų56.70%027%0.267CS..Hα-helixtrans-66.4-42.8177.465.90000111V9 C12 V14 L25 F38 I71 D94 K101 A102 L103V9-T99 HydrophobicContact CG2-CG2 4.26Å; C12-T99 HydrophobicContact CB-CG2 3.62Å; V14-T99 HydrophobicContact CG1-CG2 3.92Å; L25-T99 HydrophobicContact CD2-CG2 4.23Å; F38-T99 HydrophobicContact CE1-CG2 4.39Å; I71-T99 HydrophobicContact CG2-CG2 4.39Å; D94-T99 HydrophobicContact CB-CG2 4.42Å; D94-T99 PolarHBondContact OD2-N 2.71Å; D94-T99 PolarHBondContact OD2-OG1 3Å; T99-K101 VanDerWaalsContact C-N 3.34Å; T99-K101 PolarHBondContact O-N 2.77Å; T99-A102 PolarHBondContact O-N 3.31Å; T99-L103 WeakPolarHBondContact O-CB 3.23Å; T99-L103 WeakPolarHBondContact O-CG 3.49Å; T99-L103 PolarHBondContact O-N 3.04Å
100Y96.8Very high95.4Very high3 Ų358.6 Ų58.61%0.01228%0.282CS..Hα-helixtrans-61.1-42.7177.8-65.3-101.7000111.6F38 F39 I71 T72 F73 D94 R97 E104 Y105 Q144F38-Y100 HydrophobicContact CB-CE1 4.07Å; F39-Y100 PolarHBondContact N-OH 2.95Å; F39-Y100 PolarHBondContact O-OH 3.24Å; I71-Y100 HydrophobicContact CG2-CE2 4.28Å; I71-Y100 PolarHBondContact O-OH 2.76Å; I71-Y100 VanDerWaalsContact O-OH 3.07Å; T72-Y100 WeakPolarHBondContact CA-OH 3.35Å; F73-Y100 HydrophobicContact CD1-CD1 4.42Å; F73-Y100 HydrophobicContact CD1-CD2 4.12Å; F73-Y100 HydrophobicContact CD1-CE1 4.01Å; F73-Y100 AromaticContact CD1-CE2 3.71Å; F73-Y100 HydrophobicContact CD1-CE2 3.71Å; F73-Y100 HydrophobicContact CD1-CG 4.48Å; F73-Y100 AromaticContact CD1-CZ 3.65Å; F73-Y100 HydrophobicContact CE1-CD1 4.35Å; F73-Y100 AromaticContact CE1-CE1 3.94Å; F73-Y100 HydrophobicContact CE1-CE1 3.94Å; F73-Y100 HydrophobicContact CE1-CE2 4.46Å; D94-Y100 WeakPolarHBondContact OD2-CD2 3.22Å; R97-Y100 HydrophobicContact CB-CD2 4.25Å; R97-Y100 PolarHBondContact O-N 3.16Å; Y100-E104 PolarHBondContact O-N 2.9Å; Y100-E104 VanDerWaalsContact O-N 3.09Å; Y100-Y105 AromaticContact CD1-CD2 3.85Å; Y100-Y105 HydrophobicContact CD1-CD2 3.85Å; Y100-Y105 HydrophobicContact CE1-CD2 4.43Å; Y100-Y105 HydrophobicContact CG-CD2 4.43Å; Y100-Y105 PolarHBondContact O-N 3.43Å; Y100-Q144 HydrophobicContact CD1-CG 4.1Å; Y100-Q144 HydrophobicContact CE1-CG 4.47Å
101K96.3Very high95.1Very high145 Ų14558.6 Ų58.663%0.6329%0.288SS*.Hα-helixtrans-66.2-43.6175.3-70.9164.7-177.41610111.7E96 R97 K98 T99 L103 E104E96-K101 PolarHBondContact O-NZ 3.48Å; R97-K101 WeakPolarHBondContact O-CD 3.48Å; R97-K101 VanDerWaalsContact O-CG 3.28Å; R97-K101 WeakPolarHBondContact O-CG 3.28Å; R97-K101 PolarHBondContact O-N 2.81Å; K98-K101 PolarHBondContact O-N 3.05Å; T99-K101 VanDerWaalsContact C-N 3.34Å; T99-K101 PolarHBondContact O-N 2.77Å; K101-L103 VanDerWaalsContact C-N 3.27Å; K101-L103 PolarHBondContact O-N 3.37Å; K101-E104 PolarHBondContact O-N 2.96Å
102A96.7Very high94.7Very high21 Ų2160.7 Ų60.717%0.17430%0.304CS..Hα-helixtrans-65-30.7179.900000113.2K8 V9 K98 T99K8-A102 HydrophobicContact CB-CB 4.44Å; V9-A102 HydrophobicContact CB-CB 4.24Å; V9-A102 HydrophobicContact CG2-CB 4.29Å; K98-A102 VanDerWaalsContact O-CB 3.31Å; K98-A102 WeakPolarHBondContact O-CB 3.36Å; K98-A102 PolarHBondContact O-N 3.07Å; T99-A102 PolarHBondContact O-N 3.31Å
103L96.6Very high94.2Very high5 Ų559.6 Ų59.63%0.02630%0.299CS..THydrogen-bonded Turntrans-90.41174.3-63.5172.2000113.4L5 V9 F38 T99 K101 Y105 L149L5-L103 HydrophobicContact CD1-CD2 3.45Å; L5-L103 VanDerWaalsContact CD1-CD2 3.45Å; L5-L103 HydrophobicContact CD2-CD2 4.29Å; L5-L103 HydrophobicContact CG-CD2 3.74Å; V9-L103 HydrophobicContact CB-CD2 3.84Å; V9-L103 HydrophobicContact CB-CG 4.08Å; V9-L103 HydrophobicContact CG1-CD2 4.01Å; V9-L103 HydrophobicContact CG2-CD1 3.9Å; V9-L103 HydrophobicContact CG2-CD2 3.97Å; V9-L103 HydrophobicContact CG2-CG 3.7Å; F38-L103 HydrophobicContact CD1-CD1 4.13Å; F38-L103 HydrophobicContact CD2-CD1 4.03Å; F38-L103 HydrophobicContact CE1-CD1 3.67Å; F38-L103 HydrophobicContact CE2-CD1 3.56Å; F38-L103 HydrophobicContact CG-CD1 4.3Å; F38-L103 HydrophobicContact CZ-CD1 3.36Å; T99-L103 WeakPolarHBondContact O-CB 3.23Å; T99-L103 WeakPolarHBondContact O-CG 3.49Å; T99-L103 PolarHBondContact O-N 3.04Å; K101-L103 VanDerWaalsContact C-N 3.27Å; K101-L103 PolarHBondContact O-N 3.37Å; L103-Y105 HydrophobicContact CB-CD1 3.92Å; L103-Y105 HydrophobicContact CB-CD2 4.21Å; L103-Y105 HydrophobicContact CB-CE1 3.74Å; L103-Y105 HydrophobicContact CB-CE2 4Å; L103-Y105 HydrophobicContact CB-CG 4.18Å; L103-Y105 HydrophobicContact CD1-CD2 4.43Å; L103-Y105 HydrophobicContact CD1-CE1 4.42Å; L103-Y105 HydrophobicContact CD1-CE2 3.61Å; L103-Y105 HydrophobicContact CG-CE2 4.47Å; L103-Y105 WeakPolarHBondContact O-CD1 3.44Å; L103-Y105 PolarHBondContact O-N 3.16Å; L103-L149 HydrophobicContact CD1-CD1 4.36Å; L103-L149 HydrophobicContact CD2-CD1 4.11Å
104E95.6Very high93.8Very high125 Ų12565 Ų6558%0.58432%0.323SS*.THydrogen-bonded Turntrans60.527.2177-57.3173.1-170.700113.7K8 Y100 K101 K106K8-E104 IonicContact NZ-OE1 3.03Å; K8-E104 PolarHBondContact NZ-OE1 3.1Å; Y100-E104 PolarHBondContact O-N 2.9Å; Y100-E104 VanDerWaalsContact O-N 3.09Å; K101-E104 PolarHBondContact O-N 2.96Å; E104-K106 WeakPolarHBondContact O-CG 3.4Å; E104-K106 PolarHBondContact O-N 3.2Å
105Y95.2Very high93.6Very high12 Ų1268 Ų685%0.04734%0.343CS..PPolyproline II helixtrans-66120.8177-65.5-17000111.4F38 Y100 L103 Q144 G147 E162F38-Y105 HydrophobicContact CB-CD2 4.35Å; F38-Y105 HydrophobicContact CB-CE2 3.71Å; F38-Y105 HydrophobicContact CD1-CE2 4.37Å; F38-Y105 AromaticContact CD2-CE2 3.81Å; F38-Y105 HydrophobicContact CD2-CE2 3.81Å; F38-Y105 AromaticContact CG-CE2 3.7Å; F38-Y105 HydrophobicContact CG-CE2 3.7Å; Y100-Y105 AromaticContact CD1-CD2 3.85Å; Y100-Y105 HydrophobicContact CD1-CD2 3.85Å; Y100-Y105 HydrophobicContact CE1-CD2 4.43Å; Y100-Y105 HydrophobicContact CG-CD2 4.43Å; Y100-Y105 PolarHBondContact O-N 3.43Å; L103-Y105 HydrophobicContact CB-CD1 3.92Å; L103-Y105 HydrophobicContact CB-CD2 4.21Å; L103-Y105 HydrophobicContact CB-CE1 3.74Å; L103-Y105 HydrophobicContact CB-CE2 4Å; L103-Y105 HydrophobicContact CB-CG 4.18Å; L103-Y105 HydrophobicContact CD1-CD2 4.43Å; L103-Y105 HydrophobicContact CD1-CE1 4.42Å; L103-Y105 HydrophobicContact CD1-CE2 3.61Å; L103-Y105 HydrophobicContact CG-CE2 4.47Å; L103-Y105 WeakPolarHBondContact O-CD1 3.44Å; L103-Y105 PolarHBondContact O-N 3.16Å; Y105-Q144 PolarHBondContact O-NE2 3.35Å; Y105-G147 WeakPolarHBondContact OH-CA 3.44Å; Y105-E162 HydrophobicContact CD1-CG 3.74Å; Y105-E162 HydrophobicContact CE1-CB 4.26Å; Y105-E162 HydrophobicContact CE1-CG 3.81Å
106K92Very high93.4Very high145 Ų14562.9 Ų62.963%0.6333%0.325SS*.PPolyproline II helixtrans-88.2166.2-170.5-60.9-171.6180-179.90112.3E104 Q144 T145E104-K106 WeakPolarHBondContact O-CG 3.4Å; E104-K106 PolarHBondContact O-N 3.2Å; K106-Q144 PolarHBondContact O-NE2 2.9Å; K106-T145 PolarHBondContact N-OG1 3.37Å; K106-T145 WeakPolarHBondContact O-CB 3.28Å; K106-T145 WeakPolarHBondContact O-CG2 3.42Å; K106-T145 PolarHBondContact O-N 3.47Å; K106-T145 PolarHBondContact O-OG1 3.03Å
107K92.4Very high93.2Very high127 Ų12760.5 Ų60.555%0.55232%0.315SS*.BIsolated β-bridgetrans-93.5138.3164.9-64.1-171.8175.3-165.60108.9D141 W143K107-D141 IonicContact NZ-OD2 3.38Å; K107-D141 PolarHBondContact NZ-OD2 3.34Å; K107-W143 CarbonylContact C-O 3.57Å; K107-W143 WeakPolarHBondContact CA-O 3.41Å
108V91.4Very high93Very high21 Ų2162.9 Ų62.913%0.12733%0.332CS..PPolyproline II helixtrans-82.8153.9165-63.50000109.6W143 T145 K164 V166V108-W143 HydrophobicContact CG2-CB 4.32Å; V108-W143 HydrophobicContact CG2-CE3 3.98Å; V108-W143 WeakPolarHBondContact CG2-O 3.03Å; V108-W143 PolarHBondContact N-O 3.23Å; V108-W143 WeakPolarHBondContact O-CB 2.97Å; V108-T145 HydrophobicContact CG1-CG2 3.72Å; V108-K164 VanDerWaalsContact CG1-O 3.27Å; V108-K164 WeakPolarHBondContact CG1-O 3.15Å; V108-V166 HydrophobicContact CG2-CG1 3.71Å
109S92.2Very high92.8Very high66 Ų6661.2 Ų61.246%0.46233%0.329SS..PPolyproline II helixtrans-71.2152.7169.472.50000110C111 S112 G113S109-C111 PolarHBondContact O-N 2.94Å; S109-S112 PolarHBondContact N-OG 2.92Å; S109-S112 VanDerWaalsContact N-OG 3.16Å; S109-S112 PolarHBondContact O-N 3.3Å; S109-S112 PolarHBondContact O-OG 3.24Å; S109-S112 VanDerWaalsContact O-OG 3.12Å; S109-S112 VanDerWaalsContact OG-CB 3.31Å; S109-S112 WeakPolarHBondContact OG-CB 3.44Å; S109-S112 PolarHBondContact OG-N 2.88Å; S109-S112 PolarHBondContact OG-OG 3.49Å; S109-G113 PolarHBondContact O-N 2.87Å
110A87.4Confident92.6Very high51 Ų5167.1 Ų67.142%0.42136%0.355SS..Hα-helixtrans-57-38.1175.700000112.1F114 W143A110-F114 VanDerWaalsContact O-CB 3.32Å; A110-F114 WeakPolarHBondContact O-CB 3.33Å; A110-F114 PolarHBondContact O-N 3.33Å; A110-W143 HydrophobicContact CB-CD2 4.23Å; A110-W143 HydrophobicContact CB-CH2 3.98Å; A110-W143 HydrophobicContact CB-CZ2 3.44Å; A110-W143 VanDerWaalsContact CB-CZ2 3.44Å; A110-W143 WeakPolarHBondContact O-CH2 3.17Å
111C91.1Very high92.3Very high92 Ų9269.5 Ų69.562%0.62238%0.375SS*.Hα-helixtrans-63.2-54.9176.1-175.70000111.4S109 G113 F114 C115S109-C111 PolarHBondContact O-N 2.94Å; C111-G113 VanDerWaalsContact C-N 3.32Å; C111-G113 PolarHBondContact O-N 3.45Å; C111-F114 PolarHBondContact O-N 3.41Å; C111-C115 WeakPolarHBondContact O-CB 3.48Å; C111-C115 PolarHBondContact O-N 3.42Å; C111-C115 PolarHBondContact O-SG 2.9Å
112S90.2Very high92.1Very high55 Ų5562.6 Ų62.639%0.38535%0.345SS..Hα-helixtrans-64.4-37.8-179.464.20000112.2S109 C115 S116S109-S112 PolarHBondContact N-OG 2.92Å; S109-S112 VanDerWaalsContact N-OG 3.16Å; S109-S112 PolarHBondContact O-N 3.3Å; S109-S112 PolarHBondContact O-OG 3.24Å; S109-S112 VanDerWaalsContact O-OG 3.12Å; S109-S112 VanDerWaalsContact OG-CB 3.31Å; S109-S112 WeakPolarHBondContact OG-CB 3.44Å; S109-S112 PolarHBondContact OG-N 2.88Å; S109-S112 PolarHBondContact OG-OG 3.49Å; S112-C115 PolarHBondContact O-N 3.36Å; S112-S116 WeakPolarHBondContact O-CB 3.08Å; S112-S116 PolarHBondContact O-N 3.21Å
113G89.3Confident91.9Very high0 Ų069.5 Ų69.50%037%0.367CS..Hα-helixtrans-60.9-50.8174.100000111.5S109 C111 S116 L117 V166S109-G113 PolarHBondContact O-N 2.87Å; C111-G113 VanDerWaalsContact C-N 3.32Å; C111-G113 PolarHBondContact O-N 3.45Å; G113-S116 PolarHBondContact O-N 3.12Å; G113-S116 PolarHBondContact O-OG 2.85Å; G113-L117 WeakPolarHBondContact O-CG 3.46Å; G113-L117 PolarHBondContact O-N 3.35Å; G113-V166 WeakPolarHBondContact O-CG2 3.36Å
114F89.6Confident91.7Very high119 Ų11970.9 Ų70.952%0.52238%0.377SS..Hα-helixtrans-61.6-44.5176.1-175.2-100.1000112.6A110 C111 S116 L117 L118A110-F114 VanDerWaalsContact O-CB 3.32Å; A110-F114 WeakPolarHBondContact O-CB 3.33Å; A110-F114 PolarHBondContact O-N 3.33Å; C111-F114 PolarHBondContact O-N 3.41Å; F114-S116 VanDerWaalsContact C-N 3.28Å; F114-S116 PolarHBondContact O-N 3.11Å; F114-L117 HydrophobicContact CD2-CD1 4.46Å; F114-L117 WeakPolarHBondContact O-CB 3.43Å; F114-L117 PolarHBondContact O-N 2.96Å; F114-L117 VanDerWaalsContact O-N 3.07Å; F114-L118 HydrophobicContact CD1-CD1 4.18Å; F114-L118 HydrophobicContact CE1-CD1 3.72Å; F114-L118 HydrophobicContact CE1-CG 4.29Å; F114-L118 HydrophobicContact CZ-CD1 4.4Å; F114-L118 HydrophobicContact CZ-CD2 4.48Å; F114-L118 PolarHBondContact O-N 3Å
115C92.5Very high91.5Very high66 Ų6665.6 Ų65.645%0.44635%0.353SS..Hα-helixtrans-57.4-41.4175.8-720000111.8C111 S112 L117 L118 T119C111-C115 WeakPolarHBondContact O-CB 3.48Å; C111-C115 PolarHBondContact O-N 3.42Å; C111-C115 PolarHBondContact O-SG 2.9Å; S112-C115 PolarHBondContact O-N 3.36Å; C115-L117 VanDerWaalsContact C-N 3.26Å; C115-L117 PolarHBondContact O-N 3.45Å; C115-L118 PolarHBondContact O-N 3.48Å; C115-L118 VanDerWaalsContact O-N 3.08Å; C115-T119 PolarHBondContact O-N 3.43Å
116S90.6Very high91.4Very high5 Ų567.8 Ų67.84%0.03537%0.365CS..Hα-helixtrans-62.2-33177.7760000112.5S112 G113 F114 L118 T119 E165 V166 V167S112-S116 WeakPolarHBondContact O-CB 3.08Å; S112-S116 PolarHBondContact O-N 3.21Å; G113-S116 PolarHBondContact O-N 3.12Å; G113-S116 PolarHBondContact O-OG 2.85Å; F114-S116 VanDerWaalsContact C-N 3.28Å; F114-S116 PolarHBondContact O-N 3.11Å; S116-L118 PolarHBondContact O-N 2.94Å; S116-T119 WeakPolarHBondContact O-CB 3.12Å; S116-T119 WeakPolarHBondContact O-CG2 3.31Å; S116-T119 PolarHBondContact O-N 3.45Å; S116-T119 PolarHBondContact O-OG1 3.34Å; S116-E165 WeakPolarHBondContact CB-OE2 3.31Å; S116-V166 WeakPolarHBondContact OG-CG2 2.96Å; S116-V167 WeakPolarHBondContact O-CG1 3.19Å
117L90.1Very high91.5Very high65 Ų6564.5 Ų64.534%0.3436%0.36SS..Hα-helixtrans-64.2-29.1175.7-56.7179000112.8F46 G113 F114 C115 T119 G122 V166 V167F46-L117 HydrophobicContact CD2-CD2 4.3Å; F46-L117 HydrophobicContact CE2-CD2 3.35Å; F46-L117 HydrophobicContact CZ-CD2 4.03Å; G113-L117 WeakPolarHBondContact O-CG 3.46Å; G113-L117 PolarHBondContact O-N 3.35Å; F114-L117 HydrophobicContact CD2-CD1 4.46Å; F114-L117 WeakPolarHBondContact O-CB 3.43Å; F114-L117 PolarHBondContact O-N 2.96Å; F114-L117 VanDerWaalsContact O-N 3.07Å; C115-L117 VanDerWaalsContact C-N 3.26Å; C115-L117 PolarHBondContact O-N 3.45Å; L117-T119 VanDerWaalsContact C-N 3.35Å; L117-G122 CarbonylContact O-C 3.56Å; L117-V166 HydrophobicContact CD2-CG2 3.83Å; L117-V166 HydrophobicContact CG-CG2 4.36Å; L117-V167 HydrophobicContact CD2-CG1 4Å
118L92.2Very high91.5Very high108 Ų10860 Ų6057%0.56534%0.341SS*.Hα-helixtrans-83.7-11.5-179.2-58.5-179000113.2F114 C115 S116F114-L118 HydrophobicContact CD1-CD1 4.18Å; F114-L118 HydrophobicContact CE1-CD1 3.72Å; F114-L118 HydrophobicContact CE1-CG 4.29Å; F114-L118 HydrophobicContact CZ-CD1 4.4Å; F114-L118 HydrophobicContact CZ-CD2 4.48Å; F114-L118 PolarHBondContact O-N 3Å; C115-L118 PolarHBondContact O-N 3.48Å; C115-L118 VanDerWaalsContact O-N 3.08Å; S116-L118 PolarHBondContact O-N 2.94Å
119T93.5Very high91.6Very high54 Ų5459 Ų5933%0.33134%0.335SS..SBendtrans-65.1168.6177.867.80000111.9C115 S116 L117 A121 G122 R123C115-T119 PolarHBondContact O-N 3.43Å; S116-T119 WeakPolarHBondContact O-CB 3.12Å; S116-T119 WeakPolarHBondContact O-CG2 3.31Å; S116-T119 PolarHBondContact O-N 3.45Å; S116-T119 PolarHBondContact O-OG1 3.34Å; L117-T119 VanDerWaalsContact C-N 3.35Å; T119-A121 VanDerWaalsContact C-N 3.26Å; T119-A121 PolarHBondContact O-N 2.96Å; T119-A121 PolarHBondContact OG1-N 3.37Å; T119-G122 PolarHBondContact O-N 2.91Å; T119-G122 PolarHBondContact OG1-N 3.29Å; T119-R123 WeakPolarHBondContact O-CG 3.42Å; T119-R123 PolarHBondContact O-N 2.89Å
120K92.6Very high91.6Very high124 Ų12462.4 Ų62.454%0.53934%0.341SS..Hα-helixtrans-58-41.7171.2-174.1-175.4171.8-162.60111.2R123 S124K120-R123 PolarHBondContact O-N 3.27Å; K120-S124 WeakPolarHBondContact O-CB 3.36Å; K120-S124 PolarHBondContact O-N 3.09Å
121A90.7Very high91.8Very high53 Ų5363.9 Ų63.944%0.43835%0.354SS..Hα-helixtrans-62-47.3176.600000111.6T119 R123 S124 L125 V167T119-A121 VanDerWaalsContact C-N 3.26Å; T119-A121 PolarHBondContact O-N 2.96Å; T119-A121 PolarHBondContact OG1-N 3.37Å; A121-R123 PolarHBondContact O-N 2.95Å; A121-S124 PolarHBondContact O-N 3.46Å; A121-L125 WeakPolarHBondContact O-CB 3.01Å; A121-L125 PolarHBondContact O-N 3.12Å; A121-V167 HydrophobicContact CB-CG2 4.28Å
122G92.4Very high91.8Very high0 Ų061.7 Ų61.70%034%0.342CS..Hα-helixtrans-60.9-41176.400000113.5L117 T119 N126L117-G122 CarbonylContact O-C 3.56Å; T119-G122 PolarHBondContact O-N 2.91Å; T119-G122 PolarHBondContact OG1-N 3.29Å; G122-N126 VanDerWaalsContact O-CB 3.28Å; G122-N126 WeakPolarHBondContact O-CB 3.49Å; G122-N126 PolarHBondContact O-N 2.9Å
123R93Very high92Very high166 Ų16665.9 Ų65.963%0.62636%0.36SS*.Hα-helixtrans-66.2-43.2174.8-72.6-174.7-73.4166.9-2.6112.6T119 K120 A121 N126 S127T119-R123 WeakPolarHBondContact O-CG 3.42Å; T119-R123 PolarHBondContact O-N 2.89Å; K120-R123 PolarHBondContact O-N 3.27Å; A121-R123 PolarHBondContact O-N 2.95Å; R123-N126 PolarHBondContact O-N 3.18Å; R123-S127 WeakPolarHBondContact O-CB 3.46Å; R123-S127 PolarHBondContact O-N 3.03Å
124S92.2Very high92.2Very high34 Ų3466.3 Ų66.324%0.23836%0.362CS..Hα-helixtrans-59.3-52.3175.4-178.80000110.5K120 A121 N126 S127 K128K120-S124 WeakPolarHBondContact O-CB 3.36Å; K120-S124 PolarHBondContact O-N 3.09Å; A121-S124 PolarHBondContact O-N 3.46Å; S124-N126 VanDerWaalsContact C-N 3.3Å; S124-N126 PolarHBondContact O-N 2.96Å; S124-S127 WeakPolarHBondContact O-CA 3.49Å; S124-S127 VanDerWaalsContact O-CB 3.3Å; S124-S127 WeakPolarHBondContact O-CB 3.37Å; S124-S127 PolarHBondContact O-N 3.43Å; S124-K128 WeakPolarHBondContact O-CG 3.28Å; S124-K128 PolarHBondContact O-N 2.81Å
125L91.7Very high92.4Very high15 Ų1564 Ų648%0.07936%0.359CS..Hα-helixtrans-60.7-39179.1-16863.2000112.4F46 L49 A121 K128 A129 V167F46-L125 HydrophobicContact CB-CD2 3.85Å; F46-L125 HydrophobicContact CB-CG 4.42Å; F46-L125 HydrophobicContact CD1-CD2 3.84Å; F46-L125 HydrophobicContact CD1-CG 3.74Å; F46-L125 HydrophobicContact CD2-CD2 3.55Å; F46-L125 HydrophobicContact CD2-CG 4.34Å; F46-L125 HydrophobicContact CE1-CB 4.36Å; F46-L125 HydrophobicContact CE1-CD2 4.27Å; F46-L125 HydrophobicContact CE1-CG 4.04Å; F46-L125 HydrophobicContact CE2-CD2 3.96Å; F46-L125 HydrophobicContact CG-CD2 3.48Å; F46-L125 VanDerWaalsContact CG-CD2 3.48Å; F46-L125 HydrophobicContact CG-CG 3.93Å; F46-L125 HydrophobicContact CZ-CB 4.49Å; F46-L125 HydrophobicContact CZ-CD2 4.32Å; F46-L125 HydrophobicContact CZ-CG 4.43Å; L49-L125 HydrophobicContact CD2-CD1 3.7Å; A121-L125 WeakPolarHBondContact O-CB 3.01Å; A121-L125 PolarHBondContact O-N 3.12Å; L125-K128 PolarHBondContact O-N 2.69Å; L125-A129 WeakPolarHBondContact O-CB 3.38Å; L125-A129 PolarHBondContact O-N 3.49Å; L125-V167 HydrophobicContact CD2-CB 4.33Å; L125-V167 WeakPolarHBondContact CD2-O 3.45Å
126N93.1Very high92.4Very high58 Ų5862.8 Ų62.831%0.3136%0.358SS..Hα-helixtrans-65-38.8173.5-175.547000112.7K45 F46 G122 R123 S124 K130K45-N126 PolarHBondContact NZ-O 2.89Å; K45-N126 VanDerWaalsContact NZ-O 3.09Å; K45-N126 PolarHBondContact NZ-OD1 3.35Å; F46-N126 HydrophobicContact CE1-CB 4.12Å; F46-N126 HydrophobicContact CZ-CB 4.27Å; G122-N126 VanDerWaalsContact O-CB 3.28Å; G122-N126 WeakPolarHBondContact O-CB 3.49Å; G122-N126 PolarHBondContact O-N 2.9Å; R123-N126 PolarHBondContact O-N 3.18Å; S124-N126 VanDerWaalsContact C-N 3.3Å; S124-N126 PolarHBondContact O-N 2.96Å; N126-K130 WeakPolarHBondContact O-CG 3.47Å; N126-K130 PolarHBondContact O-N 2.89Å
127S93.5Very high92.5Very high76 Ų7664.5 Ų64.553%0.53137%0.367SS..Hα-helixtrans-62.7-49.3174.8-167.40000111R123 S124 A129 K130 A131R123-S127 WeakPolarHBondContact O-CB 3.46Å; R123-S127 PolarHBondContact O-N 3.03Å; S124-S127 WeakPolarHBondContact O-CA 3.49Å; S124-S127 VanDerWaalsContact O-CB 3.3Å; S124-S127 WeakPolarHBondContact O-CB 3.37Å; S124-S127 PolarHBondContact O-N 3.43Å; S127-A129 VanDerWaalsContact C-N 3.33Å; S127-A129 PolarHBondContact O-N 3.1Å; S127-K130 WeakPolarHBondContact O-CA 3.48Å; S127-K130 WeakPolarHBondContact O-CB 3.48Å; S127-K130 PolarHBondContact O-N 2.94Å; S127-A131 PolarHBondContact O-N 3.38Å
128K92Very high92.3Very high32 Ų3270.1 Ų70.114%0.13939%0.394CS..Hα-helixtrans-55.6-47.9176.3-66.2-176.8-176-160.50111.5L49 S124 L125 K130 A131 A132 E195L49-K128 HydrophobicContact CD2-CB 3.81Å; S124-K128 WeakPolarHBondContact O-CG 3.28Å; S124-K128 PolarHBondContact O-N 2.81Å; L125-K128 PolarHBondContact O-N 2.69Å; K128-K130 VanDerWaalsContact C-N 3.3Å; K128-K130 PolarHBondContact O-N 3.08Å; K128-A131 PolarHBondContact O-N 3.3Å; K128-A132 WeakPolarHBondContact O-CB 3.16Å; K128-A132 PolarHBondContact O-N 2.78Å; K128-E195 WeakPolarHBondContact CD-OE2 3.31Å; K128-E195 WeakPolarHBondContact CE-OE2 3.4Å; K128-E195 WeakPolarHBondContact CG-OE2 3.42Å; K128-E195 IonicContact NZ-OE2 3.21Å; K128-E195 PolarHBondContact NZ-OE2 2.84Å
129A93Very high92.1Very high0 Ų068.9 Ų68.90%039%0.394CS..Hα-helixtrans-70.3-24.2179.100000113.1K45 L49 L125 S127 I134K45-A129 HydrophobicContact CD-CB 3.97Å; K45-A129 VanDerWaalsContact CE-C 3.46Å; K45-A129 HydrophobicContact CG-CB 3.64Å; L49-A129 HydrophobicContact CB-CB 4.17Å; L49-A129 HydrophobicContact CD2-CB 3.88Å; L49-A129 HydrophobicContact CG-CB 4.48Å; L125-A129 WeakPolarHBondContact O-CB 3.38Å; L125-A129 PolarHBondContact O-N 3.49Å; S127-A129 VanDerWaalsContact C-N 3.33Å; S127-A129 PolarHBondContact O-N 3.1Å; A129-I134 PolarHBondContact O-N 3.01Å
130K93.3Very high91.7Very high138 Ų13868.9 Ų68.960%0.641%0.405SS*.Hα-helixtrans-72.4-45.1168.9-76.2-170.8-177.1-178.40111.3N126 S127 K128 A132 N133N126-K130 WeakPolarHBondContact O-CG 3.47Å; N126-K130 PolarHBondContact O-N 2.89Å; S127-K130 WeakPolarHBondContact O-CA 3.48Å; S127-K130 WeakPolarHBondContact O-CB 3.48Å; S127-K130 PolarHBondContact O-N 2.94Å; K128-K130 VanDerWaalsContact C-N 3.3Å; K128-K130 PolarHBondContact O-N 3.08Å; K130-A132 PolarHBondContact O-N 2.89Å; K130-N133 WeakPolarHBondContact O-CA 3.22Å; K130-N133 PolarHBondContact O-N 3.48Å
131A91.9Very high91.3Very high82 Ų8264.6 Ų64.668%0.67839%0.388SS*.Hα-helixtrans-60.1-36.3178.400000111.6S127 K128 N133S127-A131 PolarHBondContact O-N 3.38Å; K128-A131 PolarHBondContact O-N 3.3Å; A131-N133 PolarHBondContact O-N 3.08Å
132A90.6Very high90.7Very high46 Ų4663.1 Ų63.138%0.3838%0.377SS..THydrogen-bonded Turntrans-78.93.917300000114.5L49 K128 K130 I134L49-A132 HydrophobicContact CD1-CB 4.29Å; K128-A132 WeakPolarHBondContact O-CB 3.16Å; K128-A132 PolarHBondContact O-N 2.78Å; K130-A132 PolarHBondContact O-N 2.89Å; A132-I134 HydrophobicContact CB-CD1 3.82Å; A132-I134 HydrophobicContact CB-CG1 3.85Å; A132-I134 WeakPolarHBondContact O-CG1 3.41Å; A132-I134 PolarHBondContact O-N 2.84Å
133N93.9Very high90.5Very high142 Ų14267.8 Ų67.876%0.75940%0.395SS*.THydrogen-bonded Turntrans52.835.4-177.3-63.1-64.9000114.4K130 A131 P135K130-N133 WeakPolarHBondContact O-CA 3.22Å; K130-N133 PolarHBondContact O-N 3.48Å; A131-N133 PolarHBondContact O-N 3.08Å; N133-P135 VanDerWaalsContact O-CD 3.28Å; N133-P135 WeakPolarHBondContact O-CD 3.46Å
134I94.1Very high90.4Very high9 Ų960.4 Ų60.45%0.04637%0.368CS..  trans-90114.5-177.4-63.1178.6000109.6K45 R48 L49 K52 Y86 A129 A132K45-I134 WeakPolarHBondContact CD-O 3.49Å; K45-I134 WeakPolarHBondContact CE-O 3.37Å; K45-I134 HydrophobicContact CG-CG2 4.32Å; K45-I134 WeakPolarHBondContact CG-O 3.47Å; R48-I134 HydrophobicContact CB-CG2 3.38Å; R48-I134 HydrophobicContact CG-CG2 4.36Å; L49-I134 HydrophobicContact CB-CD1 3.91Å; L49-I134 HydrophobicContact CD1-CD1 3.77Å; L49-I134 HydrophobicContact CG-CD1 4.47Å; K52-I134 HydrophobicContact CB-CD1 4.32Å; K52-I134 HydrophobicContact CG-CD1 4.04Å; Y86-I134 HydrophobicContact CD1-CG2 4.49Å; Y86-I134 HydrophobicContact CE1-CG2 4.11Å; A129-I134 PolarHBondContact O-N 3.01Å; A132-I134 HydrophobicContact CB-CD1 3.82Å; A132-I134 HydrophobicContact CB-CG1 3.85Å; A132-I134 WeakPolarHBondContact O-CG1 3.41Å; A132-I134 PolarHBondContact O-N 2.84Å
135P93.1Very high90.5Very high70 Ų7058.9 Ų58.946%0.45536%0.357SS..  trans-79.116317433.2-34.5000111.2R48 Y86 N133R48-P135 VanDerWaalsContact CD-O 3.22Å; R48-P135 WeakPolarHBondContact CD-O 3.27Å; R48-P135 PolarHBondContact NH1-O 3.44Å; Y86-P135 WeakPolarHBondContact OH-CD 3.24Å; Y86-P135 WeakPolarHBondContact OH-CG 3.45Å; N133-P135 VanDerWaalsContact O-CD 3.28Å; N133-P135 WeakPolarHBondContact O-CD 3.46Å
136G92.4Very high90.7Very high42 Ų4258.3 Ų58.343%0.43336%0.355SS..  trans-138.4161.116700000110.8G43G43-G136 CarbonylContact O-C 3.52Å; G43-G136 VanDerWaalsContact O-CA 3.27Å; G43-G136 WeakPolarHBondContact O-CA 3.13Å
137N92.3Very high90.9Very high41 Ų4155.7 Ų55.722%0.21934%0.341CS..  trans-117.1-178.6174.76741000110R41 G43 E80 S139R41-N137 PolarHBondContact NH1-O 2.96Å; R41-N137 PolarHBondContact NH1-OD1 3.06Å; R41-N137 PolarHBondContact NH2-O 3.09Å; G43-N137 WeakPolarHBondContact CA-OD1 3.48Å; G43-N137 PolarHBondContact O-N 3.28Å; E80-N137 PolarHBondContact OE2-ND2 3.43Å; N137-S139 PolarHBondContact OD1-N 3.23Å; N137-S139 VanDerWaalsContact OD1-N 3.1Å
138M86.4Confident91.1Very high182 Ų18252 Ų5290%0.89732%0.316SS*.  trans-108.44.8175.5-76.6-179.741.500113.9
139S88.3Confident91.4Very high82 Ų8250.5 Ų50.557%0.57331%0.309SS*.  trans-72.8141.7-179.7-55.30000111.2R41 N137R41-S139 VanDerWaalsContact CD-O 3.26Å; R41-S139 WeakPolarHBondContact CD-O 3.41Å; R41-S139 PolarHBondContact NH1-O 2.93Å; N137-S139 PolarHBondContact OD1-N 3.23Å; N137-S139 VanDerWaalsContact OD1-N 3.1Å
140G85.2Confident91.7Very high54 Ų5450.5 Ų50.556%0.55731%0.309SS*.SBendtrans92.8-176.3175.200000115.4G142G140-G142 PolarHBondContact O-N 3.39Å
141D83.4Confident91.9Very high35 Ų3544 Ų4419%0.18728%0.281CS..  trans-81103.4-179.6-174.6-12.4000110.8F73 R97 K107 W143 Q144F73-D141 HydrophobicContact CE2-CB 3.98Å; F73-D141 HydrophobicContact CZ-CB 4.27Å; R97-D141 IonicContact CZ-OD2 2.57Å; R97-D141 IonicContact NH1-OD2 2.75Å; R97-D141 PolarHBondContact NH1-OD2 3.03Å; R97-D141 IonicContact NH2-OD2 3.27Å; R97-D141 PolarHBondContact NH2-OD2 2.88Å; R97-D141 VanDerWaalsContact NH2-OD2 3.08Å; K107-D141 IonicContact NZ-OD2 3.38Å; K107-D141 PolarHBondContact NZ-OD2 3.34Å; D141-W143 VanDerWaalsContact C-N 3.33Å; D141-W143 PolarHBondContact O-N 3.13Å; D141-W143 PolarHBondContact OD1-N 2.95Å; D141-Q144 PolarHBondContact OD1-N 2.85Å
142G78.8Confident92.2Very high21 Ų2143.7 Ų43.722%0.21627%0.265CS..SBendtrans-79.1-7.8-17900000115.8G140G140-G142 PolarHBondContact O-N 3.39Å
143W87.5Confident92.5Very high99 Ų9947.3 Ų47.338%0.37527%0.272SS..SBendtrans-113-15-163.5-53.8123.3000114.7K107 V108 A110 D141K107-W143 CarbonylContact C-O 3.57Å; K107-W143 WeakPolarHBondContact CA-O 3.41Å; V108-W143 HydrophobicContact CG2-CB 4.32Å; V108-W143 HydrophobicContact CG2-CE3 3.98Å; V108-W143 WeakPolarHBondContact CG2-O 3.03Å; V108-W143 PolarHBondContact N-O 3.23Å; V108-W143 WeakPolarHBondContact O-CB 2.97Å; A110-W143 HydrophobicContact CB-CD2 4.23Å; A110-W143 HydrophobicContact CB-CH2 3.98Å; A110-W143 HydrophobicContact CB-CZ2 3.44Å; A110-W143 VanDerWaalsContact CB-CZ2 3.44Å; A110-W143 WeakPolarHBondContact O-CH2 3.17Å; D141-W143 VanDerWaalsContact C-N 3.33Å; D141-W143 PolarHBondContact O-N 3.13Å; D141-W143 PolarHBondContact OD1-N 2.95Å
144Q92.9Very high92.6Very high11 Ų1143.3 Ų43.35%0.05127%0.265CS..BIsolated β-bridgetrans-63.2132.1168.9-179.660.260.600110.5R40 F73 Y100 Y105 K106 D141R40-Q144 HydrophobicContact CB-CB 4.39Å; R40-Q144 WeakPolarHBondContact CB-O 3.25Å; R40-Q144 WeakPolarHBondContact CD-O 3.49Å; R40-Q144 WeakPolarHBondContact CG-O 3.5Å; F73-Q144 HydrophobicContact CE1-CB 4.02Å; F73-Q144 HydrophobicContact CE1-CG 3.53Å; F73-Q144 HydrophobicContact CZ-CB 3.76Å; F73-Q144 HydrophobicContact CZ-CG 3.82Å; Y100-Q144 HydrophobicContact CD1-CG 4.1Å; Y100-Q144 HydrophobicContact CE1-CG 4.47Å; Y105-Q144 PolarHBondContact O-NE2 3.35Å; K106-Q144 PolarHBondContact O-NE2 2.9Å; D141-Q144 PolarHBondContact OD1-N 2.85Å
145T93.7Very high92.7Very high2 Ų243.1 Ų43.11%0.01227%0.265CS..  trans-84.5157171.770.40000111.6K106 V108 Q163K106-T145 PolarHBondContact N-OG1 3.37Å; K106-T145 WeakPolarHBondContact O-CB 3.28Å; K106-T145 WeakPolarHBondContact O-CG2 3.42Å; K106-T145 PolarHBondContact O-N 3.47Å; K106-T145 PolarHBondContact O-OG1 3.03Å; V108-T145 HydrophobicContact CG1-CG2 3.72Å; T145-Q163 WeakPolarHBondContact CB-O 3.27Å; T145-Q163 WeakPolarHBondContact CG2-O 3.49Å; T145-Q163 PolarHBondContact OG1-O 3.38Å; T145-Q163 VanDerWaalsContact OG1-O 3.07Å
146G95.7Very high92.8Very high3 Ų345.8 Ų45.83%0.03127%0.27CS..  trans-112.3-158.1174.100000112.6F38 Q163F38-G146 WeakPolarHBondContact O-CA 3.36Å; G146-Q163 VanDerWaalsContact N-OE1 3.13Å; G146-Q163 WeakPolarHBondContact O-CB 3.41Å; G146-Q163 PolarHBondContact O-N 3.01Å
147G97.2Very high93.1Very high2 Ų245.7 Ų45.72%0.02126%0.261CS..EExtended strand (participates in β ladder)trans179.1-175.5176.600000111.3F38 Y105 F161F38-G147 PolarHBondContact N-O 2.98Å; Y105-G147 WeakPolarHBondContact OH-CA 3.44Å; G147-F161 CarbonylContact C-O 3.56Å; G147-F161 WeakPolarHBondContact CA-O 3.49Å
148L98.5Very high93.3Very high0 Ų045.8 Ų45.80%026%0.261CS..EExtended strand (participates in β ladder)trans-143.9139.2179.9-176.7151000110.3I35 I36 L54 V150 Y159 H160 F161 P170 I175I35-L148 HydrophobicContact CG2-CD1 3.82Å; I35-L148 HydrophobicContact CG2-CD2 4.09Å; I35-L148 HydrophobicContact CG2-CG 4Å; I36-L148 CarbonylContact O-C 3.56Å; I36-L148 WeakPolarHBondContact O-CA 3.41Å; L54-L148 HydrophobicContact CD1-CD1 3.96Å; L54-L148 HydrophobicContact CD2-CD1 3.8Å; L148-V150 HydrophobicContact CD2-CG2 3.78Å; L148-Y159 HydrophobicContact CD2-CD1 3.69Å; L148-Y159 HydrophobicContact CD2-CE1 3.93Å; L148-H160 WeakPolarHBondContact O-CA 2.98Å; L148-F161 HydrophobicContact CB-CB 4.28Å; L148-F161 HydrophobicContact CB-CD1 4.32Å; L148-F161 PolarHBondContact N-O 3.21Å; L148-F161 PolarHBondContact O-N 2.74Å; L148-P170 HydrophobicContact CB-CB 4.46Å; L148-P170 HydrophobicContact CB-CG 3.93Å; L148-P170 HydrophobicContact CD1-CB 4.14Å; L148-P170 HydrophobicContact CD1-CG 3.77Å; L148-P170 HydrophobicContact CG-CG 4.43Å; L148-I175 HydrophobicContact CD1-CD1 3.89Å; L148-I175 HydrophobicContact CD2-CD1 3.85Å; L148-I175 HydrophobicContact CD2-CG1 4.24Å
149L98.4Very high93.9Very high0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-119137.1170.5-67.5172.4000110L5 L6 I35 I36 F38 L103 V151 V157 H160L5-L149 HydrophobicContact CD2-CD2 3.76Å; L6-L149 HydrophobicContact CD2-CD1 4.39Å; I35-L149 CarbonylContact C-O 3.01Å; I35-L149 WeakPolarHBondContact CA-O 3.19Å; I36-L149 PolarHBondContact N-O 3.2Å; I36-L149 PolarHBondContact O-N 2.82Å; F38-L149 HydrophobicContact CE2-CD1 3.94Å; F38-L149 HydrophobicContact CE2-CG 4.11Å; F38-L149 HydrophobicContact CZ-CD1 4.2Å; L103-L149 HydrophobicContact CD1-CD1 4.36Å; L103-L149 HydrophobicContact CD2-CD1 4.11Å; L149-V151 HydrophobicContact CB-CG2 3.99Å; L149-V157 HydrophobicContact CD2-CG1 4.46Å; L149-H160 HydrophobicContact CD2-CB 3.85Å; L149-H160 WeakPolarHBondContact CD2-CD2 3.15Å
150V98.5Very high94.3Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-109.1119.8160.1-174.20000107I35 L148 L158 Y159 I175 V178 L179I35-V150 HydrophobicContact CG1-CG2 4.29Å; L148-V150 HydrophobicContact CD2-CG2 3.78Å; V150-L158 HydrophobicContact CB-CB 4.26Å; V150-L158 HydrophobicContact CG1-CB 4.07Å; V150-L158 HydrophobicContact CG1-CD1 4.18Å; V150-L158 PolarHBondContact O-N 2.78Å; V150-Y159 HydrophobicContact CG2-CD1 4.14Å; V150-Y159 HydrophobicContact CG2-CG 4.45Å; V150-Y159 PolarHBondContact N-O 3.29Å; V150-Y159 PolarHBondContact O-N 2.77Å; V150-I175 HydrophobicContact CG2-CG1 4.25Å; V150-I175 HydrophobicContact CG2-CG2 4.32Å; V150-V178 HydrophobicContact CB-CG2 4.48Å; V150-V178 HydrophobicContact CG1-CG2 4.26Å; V150-L179 HydrophobicContact CG1-CD1 4.4Å; V150-L179 HydrophobicContact CG1-CD2 3.53Å; V150-L179 HydrophobicContact CG1-CG 4.01Å
151V98.4Very high94.9Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-123.1121.3-175.2-1690000109.1L6 W29 T33 C34 L149 K156L6-V151 HydrophobicContact CD1-CG1 3.69Å; L6-V151 HydrophobicContact CD2-CG1 4.34Å; L6-V151 HydrophobicContact CD2-CG2 3.9Å; W29-V151 HydrophobicContact CB-CB 3.97Å; W29-V151 HydrophobicContact CB-CG1 3.54Å; W29-V151 HydrophobicContact CD2-CB 4.43Å; W29-V151 HydrophobicContact CD2-CG1 3.87Å; W29-V151 HydrophobicContact CE3-CB 4.39Å; W29-V151 HydrophobicContact CE3-CG1 4.3Å; W29-V151 HydrophobicContact CE3-CG2 4.32Å; W29-V151 HydrophobicContact CG-CB 4.3Å; W29-V151 HydrophobicContact CG-CG1 3.54Å; T33-V151 CarbonylContact C-O 3.55Å; T33-V151 WeakPolarHBondContact CA-O 3.25Å; T33-V151 WeakPolarHBondContact CG2-O 3.38Å; C34-V151 PolarHBondContact N-O 3.15Å; C34-V151 PolarHBondContact O-N 3.1Å; L149-V151 HydrophobicContact CB-CG2 3.99Å; V151-K156 CarbonylContact C-O 3.59Å; V151-K156 WeakPolarHBondContact CA-O 3.39Å
152E97.6Very high95.5Very high77 Ų7737.2 Ų37.236%0.3619%0.193SC..EExtended strand (participates in β ladder)trans-67.3148.8172.5-167.7171.2-124.800110.4G154 G155 K156 L158E152-G154 PolarHBondContact O-N 2.99Å; E152-G155 PolarHBondContact O-N 2.94Å; E152-K156 HydrophobicContact CB-CB 4.14Å; E152-K156 PolarHBondContact N-O 3.36Å; E152-K156 WeakPolarHBondContact OE2-CD 3.43Å; E152-L158 HydrophobicContact CB-CD1 3.97Å; E152-L158 HydrophobicContact CB-CD2 4.11Å; E152-L158 HydrophobicContact CB-CG 3.95Å
153K97Very high96.2Very high121 Ų12136.5 Ų36.553%0.52618%0.184SC..THydrogen-bonded Turntrans-42.8129.2167.2177.1177.3-178.7146.80111W29 D31 T33W29-K153 CarbonylContact O-C 3.52Å; W29-K153 WeakPolarHBondContact O-CA 3.45Å; D31-K153 VanDerWaalsContact O-CD 3.23Å; D31-K153 WeakPolarHBondContact O-CD 3.04Å; D31-K153 VanDerWaalsContact O-CE 3.27Å; D31-K153 WeakPolarHBondContact O-CE 3.49Å; D31-K153 PolarHBondContact O-NZ 2.79Å; T33-K153 PolarHBondContact OG1-N 2.65Å; T33-K153 VanDerWaalsContact OG1-N 3.17Å
154G95.4Very high96.5Very high58 Ų5837.4 Ų37.460%0.59819%0.19SC*.THydrogen-bonded Turntrans88.8-1-177.600000114.7W29 E152W29-G154 PolarHBondContact O-N 3.09Å; E152-G154 PolarHBondContact O-N 2.99Å
155G95.4Very high96.3Very high6 Ų641 Ų416%0.06221%0.207CC..THydrogen-bonded Turntrans90.741.916800000115.2L6 E152L6-G155 VanDerWaalsContact CD1-C 3.5Å; L6-G155 WeakPolarHBondContact CD1-O 3.23Å; E152-G155 PolarHBondContact O-N 2.94Å
156K96.1Very high96.1Very high126 Ų12641.2 Ų41.255%0.54821%0.208SC..EExtended strand (participates in β ladder)trans-102.1127.1166.8178.6-172.4173.5-168.10109.7V151 E152 L158V151-K156 CarbonylContact C-O 3.59Å; V151-K156 WeakPolarHBondContact CA-O 3.39Å; E152-K156 HydrophobicContact CB-CB 4.14Å; E152-K156 PolarHBondContact N-O 3.36Å; E152-K156 WeakPolarHBondContact OE2-CD 3.43Å; K156-L158 HydrophobicContact CD-CD2 4.33Å; K156-L158 PolarHBondContact O-N 2.79Å
157V97.7Very high95.9Very high40 Ų4041.3 Ų41.324%0.24221%0.208CC..EExtended strand (participates in β ladder)trans-73.4121.4174.4-176.90000108.9L6 L149 H160L6-V157 HydrophobicContact CD1-CG2 3.53Å; L6-V157 HydrophobicContact CD2-CG2 4.03Å; L6-V157 HydrophobicContact CG-CG2 3.61Å; L149-V157 HydrophobicContact CD2-CG1 4.46Å; V157-H160 HydrophobicContact CG1-CB 4.09Å
158L97.6Very high95.7Very high43 Ų4343.7 Ų43.723%0.22522%0.221CC..EExtended strand (participates in β ladder)trans-94.6-36.1174.7-61.9-177.8000111.7V150 E152 K156 V178 L179V150-L158 HydrophobicContact CB-CB 4.26Å; V150-L158 HydrophobicContact CG1-CB 4.07Å; V150-L158 HydrophobicContact CG1-CD1 4.18Å; V150-L158 PolarHBondContact O-N 2.78Å; E152-L158 HydrophobicContact CB-CD1 3.97Å; E152-L158 HydrophobicContact CB-CD2 4.11Å; E152-L158 HydrophobicContact CB-CG 3.95Å; K156-L158 HydrophobicContact CD-CD2 4.33Å; K156-L158 PolarHBondContact O-N 2.79Å; L158-V178 HydrophobicContact CB-CB 4.13Å; L158-V178 HydrophobicContact CB-CG2 4.08Å; L158-L179 HydrophobicContact CD1-CD2 4.43Å
159Y98.1Very high95.4Very high24 Ų2446.6 Ų46.69%0.09423%0.234CC..EExtended strand (participates in β ladder)trans-149142.9177.8177-100.3000110.1L148 V150 F161 P170 D171 Q174 I175L148-Y159 HydrophobicContact CD2-CD1 3.69Å; L148-Y159 HydrophobicContact CD2-CE1 3.93Å; V150-Y159 HydrophobicContact CG2-CD1 4.14Å; V150-Y159 HydrophobicContact CG2-CG 4.45Å; V150-Y159 PolarHBondContact N-O 3.29Å; V150-Y159 PolarHBondContact O-N 2.77Å; Y159-F161 HydrophobicContact CE1-CB 3.63Å; Y159-P170 HydrophobicContact CE1-CB 4.37Å; Y159-D171 PolarHBondContact OH-N 3.33Å; Y159-Q174 HydrophobicContact CD2-CB 4.03Å; Y159-Q174 HydrophobicContact CE2-CB 3.79Å; Y159-Q174 VanDerWaalsContact CE2-OE1 3.31Å; Y159-I175 HydrophobicContact CD1-CD1 4.48Å; Y159-I175 HydrophobicContact CD1-CG1 3.83Å; Y159-I175 HydrophobicContact CE1-CD1 4.19Å; Y159-I175 HydrophobicContact CE1-CG1 3.88Å; Y159-I175 HydrophobicContact CG-CG1 4.45Å
160H97.5Very high95.2Very high76 Ų7646.6 Ų46.635%0.35223%0.234SC..EExtended strand (participates in β ladder)trans-140119.7176.6178.2-151.8000109.7L148 L149 V157L148-H160 WeakPolarHBondContact O-CA 2.98Å; L149-H160 HydrophobicContact CD2-CB 3.85Å; L149-H160 WeakPolarHBondContact CD2-CD2 3.15Å; V157-H160 HydrophobicContact CG1-CB 4.09Å
161F97.2Very high95Very high24 Ų2448.9 Ų48.911%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-113.2130.1172.4168.1-107.8000109.7G147 L148 Y159 Q163 N168 H169 P170G147-F161 CarbonylContact C-O 3.56Å; G147-F161 WeakPolarHBondContact CA-O 3.49Å; L148-F161 HydrophobicContact CB-CB 4.28Å; L148-F161 HydrophobicContact CB-CD1 4.32Å; L148-F161 PolarHBondContact N-O 3.21Å; L148-F161 PolarHBondContact O-N 2.74Å; Y159-F161 HydrophobicContact CE1-CB 3.63Å; F161-Q163 HydrophobicContact CE1-CB 3.93Å; F161-Q163 HydrophobicContact CZ-CB 3.93Å; F161-Q163 HydrophobicContact CZ-CG 4.45Å; F161-N168 HydrophobicContact CE2-CB 4.13Å; F161-N168 HydrophobicContact CZ-CB 3.83Å; F161-H169 WeakPolarHBondContact CE2-O 3.26Å; F161-H169 WeakPolarHBondContact CZ-O 2.82Å; F161-P170 HydrophobicContact CB-CB 4.48Å; F161-P170 HydrophobicContact CD1-CB 4.16Å; F161-P170 HydrophobicContact CD1-CG 3.66Å; F161-P170 HydrophobicContact CE1-CG 3.99Å; F161-P170 HydrophobicContact CG-CB 4.28Å; F161-P170 HydrophobicContact CG-CG 4.28Å
162E96.3Very high94.8Very high49 Ų4949 Ų4923%0.22925%0.247CC..EExtended strand (participates in β ladder)trans-117.6122.3170.3-174-171.1154.500108.8Y105 K164Y105-E162 HydrophobicContact CD1-CG 3.74Å; Y105-E162 HydrophobicContact CE1-CB 4.26Å; Y105-E162 HydrophobicContact CE1-CG 3.81Å; E162-K164 PolarHBondContact O-N 2.97Å; E162-K164 IonicContact OE1-NZ 2.68Å; E162-K164 PolarHBondContact OE1-NZ 3.41Å; E162-K164 IonicContact OE2-NZ 2.69Å; E162-K164 PolarHBondContact OE2-NZ 3Å
163Q94.3Very high94.5Very high5 Ų548.5 Ų48.52%0.02324%0.243CC..  trans-74.4121.4178.4-177174.468.100110R40 T145 G146 F161 E165 N168R40-Q163 VanDerWaalsContact NH1-CD 3.29Å; T145-Q163 WeakPolarHBondContact CB-O 3.27Å; T145-Q163 WeakPolarHBondContact CG2-O 3.49Å; T145-Q163 PolarHBondContact OG1-O 3.38Å; T145-Q163 VanDerWaalsContact OG1-O 3.07Å; G146-Q163 VanDerWaalsContact N-OE1 3.13Å; G146-Q163 WeakPolarHBondContact O-CB 3.41Å; G146-Q163 PolarHBondContact O-N 3.01Å; F161-Q163 HydrophobicContact CE1-CB 3.93Å; F161-Q163 HydrophobicContact CZ-CB 3.93Å; F161-Q163 HydrophobicContact CZ-CG 4.45Å; Q163-E165 WeakPolarHBondContact CG-O 3.49Å; Q163-N168 HydrophobicContact CG-CB 4.3Å; Q163-N168 PolarHBondContact NE2-O 2.85Å
164K92.3Very high94.4Very high118 Ų11847.3 Ų47.351%0.51324%0.24SC..SBendtrans-97.1-33.3176.5-57.7-62177.6179.60112.2V108 E162 N168V108-K164 VanDerWaalsContact CG1-O 3.27Å; V108-K164 WeakPolarHBondContact CG1-O 3.15Å; E162-K164 PolarHBondContact O-N 2.97Å; E162-K164 IonicContact OE1-NZ 2.68Å; E162-K164 PolarHBondContact OE1-NZ 3.41Å; E162-K164 IonicContact OE2-NZ 2.69Å; E162-K164 PolarHBondContact OE2-NZ 3Å; K164-N168 PolarHBondContact N-OD1 3.39Å
165E90.6Very high94.5Very high87 Ų8744.5 Ų44.541%0.40721%0.211SC..SBendtrans-124.6153.6174.9-60.6-178.7-166.700111S116 Q163 V167 N168S116-E165 WeakPolarHBondContact CB-OE2 3.31Å; Q163-E165 WeakPolarHBondContact CG-O 3.49Å; E165-V167 HydrophobicContact CB-CG2 4.17Å; E165-V167 PolarHBondContact O-N 3.49Å; E165-N168 PolarHBondContact N-OD1 3.07Å; E165-N168 PolarHBondContact O-N 3.06Å
166V88Confident94.4Very high6 Ų644.5 Ų44.54%0.03621%0.21CC..THydrogen-bonded Turntrans-65.1-12.2-177-65.30000114.2R40 V108 G113 S116 L117R40-V166 PolarHBondContact NH2-O 3.32Å; V108-V166 HydrophobicContact CG2-CG1 3.71Å; G113-V166 WeakPolarHBondContact O-CG2 3.36Å; S116-V166 WeakPolarHBondContact OG-CG2 2.96Å; L117-V166 HydrophobicContact CD2-CG2 3.83Å; L117-V166 HydrophobicContact CG-CG2 4.36Å
167V91Very high94.4Very high5 Ų544.3 Ų44.33%0.0322%0.215CC..THydrogen-bonded Turntrans-98.1-9.5177.3-58.80000113.7F46 S116 L117 A121 L125 E165F46-V167 HydrophobicContact CE2-CG1 4.04Å; S116-V167 WeakPolarHBondContact O-CG1 3.19Å; L117-V167 HydrophobicContact CD2-CG1 4Å; A121-V167 HydrophobicContact CB-CG2 4.28Å; L125-V167 HydrophobicContact CD2-CB 4.33Å; L125-V167 WeakPolarHBondContact CD2-O 3.45Å; E165-V167 HydrophobicContact CB-CG2 4.17Å; E165-V167 PolarHBondContact O-N 3.49Å
168N93Very high94.4Very high53 Ų5344.5 Ų44.528%0.28322%0.215SC..  trans-73.5141.5174.7-51.3142.9000109.5F161 Q163 K164 E165F161-N168 HydrophobicContact CE2-CB 4.13Å; F161-N168 HydrophobicContact CZ-CB 3.83Å; Q163-N168 HydrophobicContact CG-CB 4.3Å; Q163-N168 PolarHBondContact NE2-O 2.85Å; K164-N168 PolarHBondContact N-OD1 3.39Å; E165-N168 PolarHBondContact N-OD1 3.07Å; E165-N168 PolarHBondContact O-N 3.06Å
169H92.9Very high94.4Very high60 Ų6043.1 Ų43.128%0.27821%0.208SC..  trans-130.7162.8172.959.180.3000109.5F161 Y172 E196F161-H169 WeakPolarHBondContact CE2-O 3.26Å; F161-H169 WeakPolarHBondContact CZ-O 2.82Å; H169-Y172 AromaticContact ND1-CE2 3.74Å; H169-E196 IonicContact CE1-OE1 3.36Å; H169-E196 PolarHBondContact CE1-OE1 2.83Å; H169-E196 IonicContact ND1-OE1 3.8Å
170P94.9Very high94.3Very high0 Ų050.3 Ų50.30%024%0.24CC..  trans-57151.5174.4-21.131.4000112.2L148 Y159 F161 Y172 I175L148-P170 HydrophobicContact CB-CB 4.46Å; L148-P170 HydrophobicContact CB-CG 3.93Å; L148-P170 HydrophobicContact CD1-CB 4.14Å; L148-P170 HydrophobicContact CD1-CG 3.77Å; L148-P170 HydrophobicContact CG-CG 4.43Å; Y159-P170 HydrophobicContact CE1-CB 4.37Å; F161-P170 HydrophobicContact CB-CB 4.48Å; F161-P170 HydrophobicContact CD1-CB 4.16Å; F161-P170 HydrophobicContact CD1-CG 3.66Å; F161-P170 HydrophobicContact CE1-CG 3.99Å; F161-P170 HydrophobicContact CG-CB 4.28Å; F161-P170 HydrophobicContact CG-CG 4.28Å; P170-Y172 HydrophobicContact CB-CE1 4.42Å; P170-Y172 PolarHBondContact O-N 2.87Å; P170-I175 HydrophobicContact CB-CD1 3.77Å
171D94.5Very high94.1Very high49 Ų4947 Ų4726%0.26223%0.225SC..  trans-80.8104.5169.2-177-31.2000108.5Y159 K173 Q174 I175Y159-D171 PolarHBondContact OH-N 3.33Å; D171-K173 VanDerWaalsContact C-N 3.33Å; D171-K173 PolarHBondContact O-N 2.68Å; D171-K173 WeakPolarHBondContact OD1-CB 3.11Å; D171-K173 PolarHBondContact OD1-N 3.38Å; D171-Q174 HydrophobicContact CB-CB 4.08Å; D171-Q174 HydrophobicContact CB-CG 4.14Å; D171-Q174 PolarHBondContact O-N 2.99Å; D171-Q174 PolarHBondContact OD1-N 3.3Å; D171-Q174 WeakPolarHBondContact OD2-CG 3.36Å; D171-Q174 PolarHBondContact OD2-NE2 2.69Å; D171-I175 WeakPolarHBondContact O-CG1 3.44Å; D171-I175 PolarHBondContact O-N 3.18Å; D171-I175 VanDerWaalsContact O-N 3.12Å
172Y93.4Very high93.9Very high3 Ų349.4 Ų49.41%0.01224%0.239CC..Hα-helixtrans-69.7-29.7-175.1-71-49.2000113.1E50 N53 L54 H169 P170 I175 I176 F189 V192 E196E50-Y172 WeakPolarHBondContact CA-OH 3.34Å; N53-Y172 HydrophobicContact CB-CE1 4.06Å; N53-Y172 HydrophobicContact CB-CE2 4.17Å; N53-Y172 WeakPolarHBondContact ND2-CE2 3.17Å; L54-Y172 HydrophobicContact CD2-CE1 4.11Å; L54-Y172 HydrophobicContact CG-CE1 4.34Å; H169-Y172 AromaticContact ND1-CE2 3.74Å; P170-Y172 HydrophobicContact CB-CE1 4.42Å; P170-Y172 PolarHBondContact O-N 2.87Å; Y172-I175 HydrophobicContact CD1-CD1 4.24Å; Y172-I175 PolarHBondContact O-N 3.41Å; Y172-I176 PolarHBondContact O-N 3.38Å; Y172-I176 VanDerWaalsContact O-N 3.12Å; Y172-F189 AromaticContact CD1-CE2 3.96Å; Y172-F189 HydrophobicContact CD1-CE2 3.96Å; Y172-F189 AromaticContact CD1-CZ 3.46Å; Y172-F189 HydrophobicContact CD1-CZ 3.46Å; Y172-F189 VanDerWaalsContact CD1-CZ 3.46Å; Y172-F189 HydrophobicContact CD2-CZ 4.34Å; Y172-F189 HydrophobicContact CE1-CZ 4.42Å; Y172-F189 HydrophobicContact CG-CE1 4.18Å; Y172-F189 HydrophobicContact CG-CE2 4.02Å; Y172-F189 AromaticContact CG-CZ 3.42Å; Y172-F189 HydrophobicContact CG-CZ 3.42Å; Y172-F189 VanDerWaalsContact CG-CZ 3.42Å; Y172-V192 HydrophobicContact CD2-CG1 3.49Å; Y172-V192 VanDerWaalsContact CD2-CG1 3.49Å; Y172-V192 HydrophobicContact CE2-CG1 3.89Å; Y172-V192 HydrophobicContact CG-CG1 4.27Å; Y172-E196 WeakPolarHBondContact CD2-OE1 3.49Å
173K92.2Very high93.4Very high66 Ų6650.2 Ų50.229%0.28725%0.248SC..Hα-helixtrans-66.2-45.4173.7-66.4174.2-174.8163.10110.6D171 I175 I176 D177 L193 C197D171-K173 VanDerWaalsContact C-N 3.33Å; D171-K173 PolarHBondContact O-N 2.68Å; D171-K173 WeakPolarHBondContact OD1-CB 3.11Å; D171-K173 PolarHBondContact OD1-N 3.38Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 2.75Å; K173-I176 PolarHBondContact O-N 3.28Å; K173-D177 WeakPolarHBondContact O-CB 3.3Å; K173-D177 PolarHBondContact O-N 2.91Å; K173-L193 WeakPolarHBondContact CE-O 3.46Å; K173-L193 HydrophobicContact CG-CD2 3.63Å; K173-L193 PolarHBondContact NZ-O 3.34Å; K173-L193 VanDerWaalsContact NZ-O 3.11Å; K173-C197 PolarHBondContact NZ-SG 3Å
174Q95.2Very high93.1Very high95 Ų9558.4 Ų58.444%0.44428%0.284SS..Hα-helixtrans-62.4-40.1177.1-72.7-176.340.500111.5Y159 D171 I176 D177 V178Y159-Q174 HydrophobicContact CD2-CB 4.03Å; Y159-Q174 HydrophobicContact CE2-CB 3.79Å; Y159-Q174 VanDerWaalsContact CE2-OE1 3.31Å; D171-Q174 HydrophobicContact CB-CB 4.08Å; D171-Q174 HydrophobicContact CB-CG 4.14Å; D171-Q174 PolarHBondContact O-N 2.99Å; D171-Q174 PolarHBondContact OD1-N 3.3Å; D171-Q174 WeakPolarHBondContact OD2-CG 3.36Å; D171-Q174 PolarHBondContact OD2-NE2 2.69Å; Q174-I176 PolarHBondContact O-N 3Å; Q174-D177 PolarHBondContact O-N 3.39Å; Q174-V178 WeakPolarHBondContact O-CG1 3.49Å; Q174-V178 WeakPolarHBondContact O-CG2 3.44Å; Q174-V178 PolarHBondContact O-N 2.94Å
175I96.5Very high93.1Very high0 Ų056.6 Ų56.60%028%0.28CS..Hα-helixtrans-59.2-46.8175.3-68.6167.5000111.2I35 L54 L57 L148 V150 Y159 P170 D171 Y172 K173 V178 L179I35-I175 HydrophobicContact CD1-CG2 3.9Å; L54-I175 HydrophobicContact CD2-CD1 4.45Å; L57-I175 HydrophobicContact CD1-CG2 4.22Å; L148-I175 HydrophobicContact CD1-CD1 3.89Å; L148-I175 HydrophobicContact CD2-CD1 3.85Å; L148-I175 HydrophobicContact CD2-CG1 4.24Å; V150-I175 HydrophobicContact CG2-CG1 4.25Å; V150-I175 HydrophobicContact CG2-CG2 4.32Å; Y159-I175 HydrophobicContact CD1-CD1 4.48Å; Y159-I175 HydrophobicContact CD1-CG1 3.83Å; Y159-I175 HydrophobicContact CE1-CD1 4.19Å; Y159-I175 HydrophobicContact CE1-CG1 3.88Å; Y159-I175 HydrophobicContact CG-CG1 4.45Å; P170-I175 HydrophobicContact CB-CD1 3.77Å; D171-I175 WeakPolarHBondContact O-CG1 3.44Å; D171-I175 PolarHBondContact O-N 3.18Å; D171-I175 VanDerWaalsContact O-N 3.12Å; Y172-I175 HydrophobicContact CD1-CD1 4.24Å; Y172-I175 PolarHBondContact O-N 3.41Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 2.75Å; I175-V178 WeakPolarHBondContact O-CG2 3.37Å; I175-L179 HydrophobicContact CG2-CD1 3.97Å; I175-L179 WeakPolarHBondContact O-CB 3.38Å; I175-L179 VanDerWaalsContact O-CG 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.36Å; I175-L179 PolarHBondContact O-N 2.88Å
176I94.2Very high93Very high6 Ų652.6 Ų52.63%0.03126%0.261CS..Hα-helixtrans-63.2-43.5177.6-78.8-179.8000111.4L57 Y172 K173 Q174 L179 K180 I181 P183 F189 L193L57-I176 HydrophobicContact CD2-CD1 3.94Å; L57-I176 HydrophobicContact CD2-CG1 3.91Å; Y172-I176 PolarHBondContact O-N 3.38Å; Y172-I176 VanDerWaalsContact O-N 3.12Å; K173-I176 PolarHBondContact O-N 3.28Å; Q174-I176 PolarHBondContact O-N 3Å; I176-L179 CarbonylContact O-C 3.58Å; I176-L179 PolarHBondContact O-N 3.31Å; I176-K180 PolarHBondContact O-N 2.88Å; I176-I181 HydrophobicContact CB-CB 4.41Å; I176-I181 HydrophobicContact CG1-CB 4.41Å; I176-I181 HydrophobicContact CG1-CG2 4.37Å; I176-I181 HydrophobicContact CG2-CB 3.91Å; I176-I181 HydrophobicContact CG2-CG2 4.18Å; I176-I181 WeakPolarHBondContact CG2-O 3.37Å; I176-I181 PolarHBondContact O-N 3Å; I176-P183 HydrophobicContact CG2-CG 4.23Å; I176-F189 HydrophobicContact CD1-CD1 3.42Å; I176-F189 VanDerWaalsContact CD1-CD1 3.42Å; I176-F189 HydrophobicContact CD1-CE1 3.38Å; I176-F189 HydrophobicContact CG1-CE1 4.07Å; I176-L193 HydrophobicContact CD1-CD1 3.86Å; I176-L193 HydrophobicContact CD1-CD2 4.34Å
177D95.2Very high92.5Very high122 Ų12256.3 Ų56.365%0.65229%0.286SS*.Hα-helixtrans-64.3-49.7-178.5-17550.6000111.9K173 Q174 L179 K180K173-D177 WeakPolarHBondContact O-CB 3.3Å; K173-D177 PolarHBondContact O-N 2.91Å; Q174-D177 PolarHBondContact O-N 3.39Å; D177-L179 PolarHBondContact O-N 3.28Å; D177-K180 WeakPolarHBondContact O-CA 3.28Å; D177-K180 PolarHBondContact O-N 3.42Å
178V97.7Very high92.2Very high43 Ų4361.4 Ų61.426%0.26131%0.309SS..Hα-helixtrans-65.9-26.5179.3-57.90000112.7V150 L158 Q174 I175 K180V150-V178 HydrophobicContact CB-CG2 4.48Å; V150-V178 HydrophobicContact CG1-CG2 4.26Å; L158-V178 HydrophobicContact CB-CB 4.13Å; L158-V178 HydrophobicContact CB-CG2 4.08Å; Q174-V178 WeakPolarHBondContact O-CG1 3.49Å; Q174-V178 WeakPolarHBondContact O-CG2 3.44Å; Q174-V178 PolarHBondContact O-N 2.94Å; I175-V178 WeakPolarHBondContact O-CG2 3.37Å; V178-K180 VanDerWaalsContact C-N 3.33Å
179L97.6Very high91.6Very high15 Ų1558.9 Ų58.98%0.07930%0.296CS..THydrogen-bonded Turntrans-87.6-1.7173.4-66.9178.1000113.3T33 I35 L61 I66 V150 L158 I175 I176 D177 I181T33-L179 HydrophobicContact CG2-CD2 3.83Å; I35-L179 HydrophobicContact CD1-CD1 3.75Å; I35-L179 HydrophobicContact CG1-CD1 4.07Å; L61-L179 HydrophobicContact CD2-CD1 3.81Å; I66-L179 HydrophobicContact CD1-CD2 4.11Å; V150-L179 HydrophobicContact CG1-CD1 4.4Å; V150-L179 HydrophobicContact CG1-CD2 3.53Å; V150-L179 HydrophobicContact CG1-CG 4.01Å; L158-L179 HydrophobicContact CD1-CD2 4.43Å; I175-L179 HydrophobicContact CG2-CD1 3.97Å; I175-L179 WeakPolarHBondContact O-CB 3.38Å; I175-L179 VanDerWaalsContact O-CG 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.36Å; I175-L179 PolarHBondContact O-N 2.88Å; I176-L179 CarbonylContact O-C 3.58Å; I176-L179 PolarHBondContact O-N 3.31Å; D177-L179 PolarHBondContact O-N 3.28Å; L179-I181 HydrophobicContact CB-CD1 3.74Å; L179-I181 HydrophobicContact CB-CG1 3.9Å; L179-I181 HydrophobicContact CD1-CD1 3.95Å; L179-I181 PolarHBondContact O-N 3.02Å
180K96Very high90.7Very high174 Ų17458.3 Ų58.376%0.75730%0.301SS*.THydrogen-bonded Turntrans5435.5-178.3-54.1177.6-178.1176.20112.5R64 I176 D177 V178R64-K180 PolarHBondContact NH1-O 3.18Å; I176-K180 PolarHBondContact O-N 2.88Å; D177-K180 WeakPolarHBondContact O-CA 3.28Å; D177-K180 PolarHBondContact O-N 3.42Å; V178-K180 VanDerWaalsContact C-N 3.33Å
181I94.1Very high89.6Confident8 Ų862.2 Ų62.24%0.04133%0.325CS..  trans-80.2135.2177.1-68.9168.1000108.1V60 L61 I176 L179 P183 V186V60-I181 HydrophobicContact CG1-CD1 4.05Å; V60-I181 HydrophobicContact CG1-CG2 4.05Å; V60-I181 HydrophobicContact CG2-CG1 4.4Å; V60-I181 HydrophobicContact CG2-CG2 3.97Å; L61-I181 HydrophobicContact CD2-CD1 3.86Å; I176-I181 HydrophobicContact CB-CB 4.41Å; I176-I181 HydrophobicContact CG1-CB 4.41Å; I176-I181 HydrophobicContact CG1-CG2 4.37Å; I176-I181 HydrophobicContact CG2-CB 3.91Å; I176-I181 HydrophobicContact CG2-CG2 4.18Å; I176-I181 WeakPolarHBondContact CG2-O 3.37Å; I176-I181 PolarHBondContact O-N 3Å; L179-I181 HydrophobicContact CB-CD1 3.74Å; L179-I181 HydrophobicContact CB-CG1 3.9Å; L179-I181 HydrophobicContact CD1-CD1 3.95Å; L179-I181 PolarHBondContact O-N 3.02Å; I181-P183 WeakPolarHBondContact O-CD 3.42Å; I181-V186 HydrophobicContact CG2-CG2 3.71Å
182N91.1Very high88.8Confident73 Ų7360.6 Ų60.639%0.3932%0.317SS..  trans-78.1125.4172.2-177.8-9.6000108.1K184 D185N182-K184 PolarHBondContact O-N 2.83Å; N182-K184 PolarHBondContact OD1-N 3.32Å; N182-K184 VanDerWaalsContact OD1-N 3.13Å; N182-D185 WeakPolarHBondContact CB-OD2 3.49Å; N182-D185 WeakPolarHBondContact O-CB 3.07Å; N182-D185 PolarHBondContact O-N 2.85Å
183P87.1Confident87.7Confident66 Ų6661.2 Ų61.243%0.42932%0.321SS..G310 helixtrans-54.8-26.7178.2-27.634.9000114.2I176 I181 D185 V186 L193I176-P183 HydrophobicContact CG2-CG 4.23Å; I181-P183 WeakPolarHBondContact O-CD 3.42Å; P183-D185 PolarHBondContact O-N 3.31Å; P183-V186 PolarHBondContact O-N 2.96Å; P183-L193 HydrophobicContact CB-CD1 4.16Å
184K88.4Confident86.5Confident177 Ų17761.1 Ų61.177%0.7733%0.328SS*.G310 helixtrans-67.7-21.1176.1-63.1-177.9-178.4179.30113.6N182 V186N182-K184 PolarHBondContact O-N 2.83Å; N182-K184 PolarHBondContact OD1-N 3.32Å; N182-K184 VanDerWaalsContact OD1-N 3.13Å; K184-V186 PolarHBondContact O-N 3.33Å
185D91Very high85Confident81 Ų8159.9 Ų59.943%0.43332%0.322SS..G310 helixtrans-80.6-2.7177.2-56.3-17.2000111.6V60 R64 N182 P183V60-D185 HydrophobicContact CG2-CB 4.03Å; R64-D185 IonicContact NH2-OD2 2.83Å; R64-D185 PolarHBondContact NH2-OD2 3.39Å; N182-D185 WeakPolarHBondContact CB-OD2 3.49Å; N182-D185 WeakPolarHBondContact O-CB 3.07Å; N182-D185 PolarHBondContact O-N 2.85Å; P183-D185 PolarHBondContact O-N 3.31Å
186V88.4Confident83.4Confident2 Ų261 Ų611%0.01233%0.327CS..  trans-130.572-177.5-156.10000111.6Y56 L57 V60 I181 P183 K184 E188 F189 A190Y56-V186 WeakPolarHBondContact O-CG1 3.23Å; L57-V186 HydrophobicContact CD2-CB 4.5Å; L57-V186 HydrophobicContact CD2-CG1 3.88Å; L57-V186 HydrophobicContact CD2-CG2 4.07Å; V60-V186 HydrophobicContact CB-CG2 4.36Å; V60-V186 HydrophobicContact CG1-CG2 3.67Å; I181-V186 HydrophobicContact CG2-CG2 3.71Å; P183-V186 PolarHBondContact O-N 2.96Å; K184-V186 PolarHBondContact O-N 3.33Å; V186-E188 PolarHBondContact O-N 3.42Å; V186-F189 HydrophobicContact CB-CB 3.89Å; V186-F189 HydrophobicContact CG1-CB 3.25Å; V186-F189 HydrophobicContact CG1-CG 4.07Å; V186-F189 PolarHBondContact O-N 3.45Å; V186-F189 VanDerWaalsContact O-N 3.16Å; V186-A190 PolarHBondContact O-N 3.33Å
187P78.8Confident81.5Confident85 Ų8563.7 Ų63.755%0.55235%0.346SS*.Hα-helixtrans-58.7-45.8-170.6-2535.4000114.5F189 A190P187-F189 PolarHBondContact O-N 3.49Å; P187-A190 VanDerWaalsContact O-CB 3.26Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.03Å
188E83.3Confident79.4Confident112 Ų11262.9 Ų62.952%0.52334%0.342SS..Hα-helixtrans-66.2-27.6-179-67.775.9-171.500112Y56 V186Y56-E188 HydrophobicContact CD1-CB 3.62Å; Y56-E188 HydrophobicContact CD1-CG 4.12Å; Y56-E188 HydrophobicContact CD2-CB 4.2Å; Y56-E188 HydrophobicContact CE1-CB 3.98Å; Y56-E188 HydrophobicContact CE1-CG 4.27Å; Y56-E188 HydrophobicContact CG-CB 3.76Å; V186-E188 PolarHBondContact O-N 3.42Å
189F81Confident77.1Confident0 Ų064.3 Ų64.30%035%0.348CS..Hα-helixtrans-82.7-19.2179.9-155.5-109.9000112.1N53 Y56 L57 Y172 I176 V186 P187 T191 V192 L193N53-F189 HydrophobicContact CB-CE2 4.11Å; N53-F189 WeakPolarHBondContact O-CD2 3.48Å; N53-F189 WeakPolarHBondContact O-CE2 3.42Å; Y56-F189 HydrophobicContact CD2-CD2 4.36Å; L57-F189 HydrophobicContact CD1-CE1 4.5Å; L57-F189 HydrophobicContact CD1-CE2 4.27Å; L57-F189 HydrophobicContact CD1-CZ 3.92Å; L57-F189 HydrophobicContact CD2-CD1 4.07Å; L57-F189 HydrophobicContact CD2-CD2 4.42Å; L57-F189 HydrophobicContact CD2-CE1 3.93Å; L57-F189 HydrophobicContact CD2-CE2 4.34Å; L57-F189 HydrophobicContact CD2-CG 4.25Å; L57-F189 HydrophobicContact CD2-CZ 4.04Å; L57-F189 HydrophobicContact CG-CD2 4.39Å; L57-F189 HydrophobicContact CG-CE1 4.44Å; L57-F189 HydrophobicContact CG-CE2 4.07Å; L57-F189 HydrophobicContact CG-CZ 4.04Å; Y172-F189 AromaticContact CD1-CE2 3.96Å; Y172-F189 HydrophobicContact CD1-CE2 3.96Å; Y172-F189 AromaticContact CD1-CZ 3.46Å; Y172-F189 HydrophobicContact CD1-CZ 3.46Å; Y172-F189 VanDerWaalsContact CD1-CZ 3.46Å; Y172-F189 HydrophobicContact CD2-CZ 4.34Å; Y172-F189 HydrophobicContact CE1-CZ 4.42Å; Y172-F189 HydrophobicContact CG-CE1 4.18Å; Y172-F189 HydrophobicContact CG-CE2 4.02Å; Y172-F189 AromaticContact CG-CZ 3.42Å; Y172-F189 HydrophobicContact CG-CZ 3.42Å; Y172-F189 VanDerWaalsContact CG-CZ 3.42Å; I176-F189 HydrophobicContact CD1-CD1 3.42Å; I176-F189 VanDerWaalsContact CD1-CD1 3.42Å; I176-F189 HydrophobicContact CD1-CE1 3.38Å; I176-F189 HydrophobicContact CG1-CE1 4.07Å; V186-F189 HydrophobicContact CB-CB 3.89Å; V186-F189 HydrophobicContact CG1-CB 3.25Å; V186-F189 HydrophobicContact CG1-CG 4.07Å; V186-F189 PolarHBondContact O-N 3.45Å; V186-F189 VanDerWaalsContact O-N 3.16Å; P187-F189 PolarHBondContact O-N 3.49Å; F189-T191 PolarHBondContact O-N 3.32Å; F189-V192 HydrophobicContact CD2-CB 4.18Å; F189-V192 HydrophobicContact CD2-CG1 4.5Å; F189-V192 HydrophobicContact CD2-CG2 4.23Å; F189-V192 HydrophobicContact CE2-CG1 4.37Å; F189-V192 HydrophobicContact CG-CB 4.39Å; F189-V192 CarbonylContact O-C 3.54Å; F189-V192 WeakPolarHBondContact O-CA 3.37Å; F189-V192 WeakPolarHBondContact O-CB 3.33Å; F189-V192 PolarHBondContact O-N 3.08Å; F189-L193 HydrophobicContact CD1-CD1 3.94Å; F189-L193 HydrophobicContact CD1-CD2 3.59Å; F189-L193 HydrophobicContact CD1-CG 3.55Å; F189-L193 HydrophobicContact CE1-CD2 3.46Å; F189-L193 VanDerWaalsContact CE1-CD2 3.46Å; F189-L193 HydrophobicContact CE1-CG 4Å; F189-L193 HydrophobicContact CG-CG 4.49Å; F189-L193 WeakPolarHBondContact O-CG 3.27Å; F189-L193 PolarHBondContact O-N 3.07Å
190A73.5Confident74.6Confident48 Ų4867.1 Ų67.140%0.39737%0.373SS..Hα-helixtrans-54.7-36.9174.200000111.8V186 P187 L193 S194V186-A190 PolarHBondContact O-N 3.33Å; P187-A190 VanDerWaalsContact O-CB 3.26Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.03Å; A190-L193 PolarHBondContact O-N 3.32Å; A190-S194 WeakPolarHBondContact O-CB 3.32Å; A190-S194 PolarHBondContact O-N 2.67Å; A190-S194 PolarHBondContact O-OG 3.26Å; A190-S194 VanDerWaalsContact O-OG 3.12Å
191T72.8Confident71.9Confident82 Ų8264.1 Ų64.150%0.50337%0.373SS..Hα-helixtrans-63.7-44.2173.3-530000111.9F189 L193 S194 E195F189-T191 PolarHBondContact O-N 3.32Å; T191-L193 PolarHBondContact O-N 2.65Å; T191-S194 WeakPolarHBondContact CA-OG 3.32Å; T191-S194 PolarHBondContact O-N 3.24Å; T191-S194 PolarHBondContact O-OG 3.48Å; T191-E195 VanDerWaalsContact O-CG 3.31Å; T191-E195 WeakPolarHBondContact O-CG 3.44Å; T191-E195 PolarHBondContact O-N 2.85Å
192V76.6Confident69.3Low14 Ų1471 Ų719%0.08540%0.403CS..Hα-helixtrans-61.9-45176.2-178.50000110.6N53 Y56 Y172 F189 E196N53-V192 WeakPolarHBondContact OD1-CG2 3.41Å; Y56-V192 HydrophobicContact CD2-CG2 4.49Å; Y172-V192 HydrophobicContact CD2-CG1 3.49Å; Y172-V192 VanDerWaalsContact CD2-CG1 3.49Å; Y172-V192 HydrophobicContact CE2-CG1 3.89Å; Y172-V192 HydrophobicContact CG-CG1 4.27Å; F189-V192 HydrophobicContact CD2-CB 4.18Å; F189-V192 HydrophobicContact CD2-CG1 4.5Å; F189-V192 HydrophobicContact CD2-CG2 4.23Å; F189-V192 HydrophobicContact CE2-CG1 4.37Å; F189-V192 HydrophobicContact CG-CB 4.39Å; F189-V192 CarbonylContact O-C 3.54Å; F189-V192 WeakPolarHBondContact O-CA 3.37Å; F189-V192 WeakPolarHBondContact O-CB 3.33Å; F189-V192 PolarHBondContact O-N 3.08Å; V192-E196 PolarHBondContact O-N 3.47Å
193L71.8Confident66.8Low17 Ų1779.1 Ų79.19%0.08944%0.442CS..Hα-helixtrans-68.1-38.5179.9-62.9-175.5000113.1K173 I176 P183 F189 A190 T191 E195 E196 C197K173-L193 WeakPolarHBondContact CE-O 3.46Å; K173-L193 HydrophobicContact CG-CD2 3.63Å; K173-L193 PolarHBondContact NZ-O 3.34Å; K173-L193 VanDerWaalsContact NZ-O 3.11Å; I176-L193 HydrophobicContact CD1-CD1 3.86Å; I176-L193 HydrophobicContact CD1-CD2 4.34Å; P183-L193 HydrophobicContact CB-CD1 4.16Å; F189-L193 HydrophobicContact CD1-CD1 3.94Å; F189-L193 HydrophobicContact CD1-CD2 3.59Å; F189-L193 HydrophobicContact CD1-CG 3.55Å; F189-L193 HydrophobicContact CE1-CD2 3.46Å; F189-L193 VanDerWaalsContact CE1-CD2 3.46Å; F189-L193 HydrophobicContact CE1-CG 4Å; F189-L193 HydrophobicContact CG-CG 4.49Å; F189-L193 WeakPolarHBondContact O-CG 3.27Å; F189-L193 PolarHBondContact O-N 3.07Å; A190-L193 PolarHBondContact O-N 3.32Å; T191-L193 PolarHBondContact O-N 2.65Å; L193-E195 VanDerWaalsContact C-N 3.34Å; L193-E196 PolarHBondContact O-N 3.27Å; L193-C197 PolarHBondContact O-N 2.92Å
194S66Low65.7Low63 Ų6379.8 Ų79.844%0.44144%0.442SS..Hα-helixtrans-64.9-40.3179.656.70000111.5A190 T191 E196 C197A190-S194 WeakPolarHBondContact O-CB 3.32Å; A190-S194 PolarHBondContact O-N 2.67Å; A190-S194 PolarHBondContact O-OG 3.26Å; A190-S194 VanDerWaalsContact O-OG 3.12Å; T191-S194 WeakPolarHBondContact CA-OG 3.32Å; T191-S194 PolarHBondContact O-N 3.24Å; T191-S194 PolarHBondContact O-OG 3.48Å; S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 3.26Å; S194-C197 WeakPolarHBondContact O-CB 3.48Å; S194-C197 PolarHBondContact O-N 2.93Å; S194-C197 VanDerWaalsContact O-N 3.13Å
195E64Low64.5Low70 Ų7074.7 Ų74.733%0.32743%0.425SS..Hα-helixtrans-69.2-24.5179.4-67.7174.9176.200112.7K128 T191 L193K128-E195 WeakPolarHBondContact CD-OE2 3.31Å; K128-E195 WeakPolarHBondContact CE-OE2 3.4Å; K128-E195 WeakPolarHBondContact CG-OE2 3.42Å; K128-E195 IonicContact NZ-OE2 3.21Å; K128-E195 PolarHBondContact NZ-OE2 2.84Å; T191-E195 VanDerWaalsContact O-CG 3.31Å; T191-E195 WeakPolarHBondContact O-CG 3.44Å; T191-E195 PolarHBondContact O-N 2.85Å; L193-E195 VanDerWaalsContact C-N 3.34Å
196E62.7Low63.1Low22 Ų2274.3 Ų74.310%0.10343%0.425CS..Hα-helixtrans-75.5-25173.3-71.5-177.8157.800112.8H169 Y172 V192 L193 S194 D198 A200H169-E196 IonicContact CE1-OE1 3.36Å; H169-E196 PolarHBondContact CE1-OE1 2.83Å; H169-E196 IonicContact ND1-OE1 3.8Å; Y172-E196 WeakPolarHBondContact CD2-OE1 3.49Å; V192-E196 PolarHBondContact O-N 3.47Å; L193-E196 PolarHBondContact O-N 3.27Å; S194-E196 VanDerWaalsContact C-N 3.26Å; S194-E196 PolarHBondContact O-N 3.26Å; E196-D198 VanDerWaalsContact C-N 3.33Å; E196-A200 PolarHBondContact O-N 3.39Å
197C54Low61.6Low64 Ų6478.6 Ų78.643%0.43245%0.449SS..Hα-helixtrans-65.7-40.1174.6-75.60000110.9K173 L193 S194 D199 A200 C201K173-C197 PolarHBondContact NZ-SG 3Å; L193-C197 PolarHBondContact O-N 2.92Å; S194-C197 WeakPolarHBondContact O-CB 3.48Å; S194-C197 PolarHBondContact O-N 2.93Å; S194-C197 VanDerWaalsContact O-N 3.13Å; C197-D199 VanDerWaalsContact C-N 3.28Å; C197-D199 PolarHBondContact O-N 3.12Å; C197-A200 PolarHBondContact O-N 3.16Å; C197-C201 PolarHBondContact O-N 3.27Å
198D51.4Low60.5Low105 Ų10578.2 Ų78.256%0.56144%0.442SS*.Hα-helixtrans-69.8-25.5-176-72.2-14.5000113.5E196E196-D198 VanDerWaalsContact C-N 3.33Å
199D49.6Very low59Low72 Ų7275.9 Ų75.939%0.38544%0.437SS..Hα-helixtrans-86.1-33.1177.2-79.5-32.3000112.2C197C197-D199 VanDerWaalsContact C-N 3.28Å; C197-D199 PolarHBondContact O-N 3.12Å
200A45.1Very low57.4Low74 Ų7481.4 Ų81.461%0.61247%0.468SS*.Hα-helixtrans-75.5-29.3177.800000113.7E196 C197 K202E196-A200 PolarHBondContact O-N 3.39Å; C197-A200 PolarHBondContact O-N 3.16Å; A200-K202 PolarHBondContact O-N 3.25Å
201C39.7Very low56.2Low112 Ų11283.9 Ų83.976%0.75747%0.474SS*.THydrogen-bonded Turntrans-80.17.4177.3-80.70000114.7C197C197-C201 PolarHBondContact O-N 3.27Å
202K37.9Very low54.8Low151 Ų15184.1 Ų84.166%0.65747%0.471SS*.THydrogen-bonded Turntrans-11418.7-179.1-70.7-177.9-178167.10114.4A200A200-K202 PolarHBondContact O-N 3.25Å
203M38.8Very low52.8Low245 Ų24590.5 Ų90.5100%1.20751%0.506SS*.  trans-99.20162.9-71.4-171146.600110

Retrieved 203 of 203 residues in 85 ms (Link to these results)

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