A0A3Q0KRY8_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KRY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 948 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
1M86.8Confident91.5Very high55 Ų5571 Ų7127%0.27139%0.386SS..  0-43.70-76.6-46.8-64.700113.2K3 Y4 I32 F70 Y77M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 2.83Å; M1-Y4 WeakPolarHBondContact O-CA 3.48Å; M1-Y4 PolarHBondContact O-N 2.67Å; M1-I32 HydrophobicContact SD-CD1 4.4Å; M1-F70 HydrophobicContact CG-CE2 3.75Å; M1-F70 HydrophobicContact CG-CZ 3.95Å; M1-F70 HydrophobicContact SD-CE2 3.92Å; M1-F70 HydrophobicContact SD-CZ 3.51Å; M1-F70 VanDerWaalsContact SD-CZ 3.51Å; M1-Y77 HydrophobicContact CG-CE1 4.41Å; M1-Y77 HydrophobicContact SD-CD1 4.15Å; M1-Y77 HydrophobicContact SD-CE1 4.09Å
2E89.8Confident90.5Very high119 Ų11976.1 Ų76.156%0.55641%0.406SS*.THydrogen-bonded Turntrans-51.3-43.7-176.2-78.875.8-172.300113.4Y4 K24 R72E2-Y4 PolarHBondContact O-N 2.88Å; E2-K24 WeakPolarHBondContact O-CD 3.21Å; E2-K24 WeakPolarHBondContact O-CE 3.28Å; E2-K24 PolarHBondContact O-NZ 2.86Å; E2-R72 IonicContact OE1-CZ 2.67Å; E2-R72 IonicContact OE1-NH1 2.72Å; E2-R72 PolarHBondContact OE1-NH1 3.36Å; E2-R72 IonicContact OE1-NH2 2.72Å; E2-R72 PolarHBondContact OE1-NH2 2.99Å; E2-R72 IonicContact OE2-CZ 3.96Å; E2-R72 IonicContact OE2-NH1 2.63Å; E2-R72 PolarHBondContact OE2-NH1 3.09Å; E2-R72 IonicContact OE2-NH2 3.49Å
3K93.7Very high88.8Confident62 Ų6273.8 Ų73.827%0.2741%0.411SS..THydrogen-bonded Turntrans-69.1-1.4175.572.2179.1-176179.10115.8M1 N23 K24 E25 E68M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 2.83Å; K3-N23 WeakPolarHBondContact O-CA 3.46Å; K3-N23 PolarHBondContact O-OD1 2.88Å; K3-K24 PolarHBondContact O-N 2.68Å; K3-E25 WeakPolarHBondContact CB-OE1 3.44Å; K3-E68 WeakPolarHBondContact CE-OE1 3.21Å; K3-E68 WeakPolarHBondContact CE-OE2 3.25Å; K3-E68 IonicContact NZ-OE1 3.67Å; K3-E68 PolarHBondContact NZ-OE1 3.23Å; K3-E68 IonicContact NZ-OE2 3.1Å; K3-E68 PolarHBondContact NZ-OE2 3.38Å
4Y95.7Very high86.9Confident16 Ų1673.6 Ų73.66%0.06342%0.417CS..EExtended strand (participates in β ladder)trans-113.6133.2179-64.9-62.7000111.6M1 E2 C21 K22 N23 V30 I32 E68 F70 V79M1-Y4 WeakPolarHBondContact O-CA 3.48Å; M1-Y4 PolarHBondContact O-N 2.67Å; E2-Y4 PolarHBondContact O-N 2.88Å; Y4-C21 HydrophobicContact CD1-CB 4.29Å; Y4-C21 HydrophobicContact CG-CB 4.45Å; Y4-K22 WeakPolarHBondContact CA-O 3.38Å; Y4-N23 HydrophobicContact CD1-CB 4.24Å; Y4-N23 HydrophobicContact CE1-CB 3.94Å; Y4-V30 HydrophobicContact CD1-CG2 3.88Å; Y4-V30 HydrophobicContact CE1-CG2 3.65Å; Y4-I32 HydrophobicContact CD1-CD1 4.17Å; Y4-I32 HydrophobicContact CD2-CD1 3.65Å; Y4-I32 HydrophobicContact CE2-CD1 4.05Å; Y4-I32 HydrophobicContact CG-CD1 3.74Å; Y4-E68 VanDerWaalsContact CE2-OE1 3.24Å; Y4-E68 WeakPolarHBondContact CE2-OE1 3.28Å; Y4-E68 PolarHBondContact OH-OE1 3.45Å; Y4-F70 HydrophobicContact CD2-CE1 4.22Å; Y4-F70 HydrophobicContact CD2-CZ 4.48Å; Y4-F70 AromaticContact CE2-CE1 3.79Å; Y4-F70 HydrophobicContact CE2-CE1 3.79Å; Y4-F70 HydrophobicContact CE2-CZ 4.48Å; Y4-V79 HydrophobicContact CE2-CG2 4.14Å
5E95.9Very high85.6Confident90 Ų9072 Ų7242%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-96.7134.2166.5173.1177.7-14100108.4L7 C21 K22 K24E5-L7 HydrophobicContact CG-CD2 4.19Å; E5-C21 CarbonylContact O-C 3.43Å; E5-C21 WeakPolarHBondContact O-CA 3.33Å; E5-C21 VanDerWaalsContact O-CB 3.27Å; E5-C21 WeakPolarHBondContact O-CB 3.44Å; E5-K22 HydrophobicContact CB-CB 4.35Å; E5-K22 PolarHBondContact N-O 3.2Å; E5-K22 PolarHBondContact O-N 3.39Å; E5-K24 HydrophobicContact CB-CG 4.27Å
6N95.6Very high85Confident105 Ų10568.1 Ų68.156%0.56138%0.384SS*.EExtended strand (participates in β ladder)trans-86.7126178.7178.311.2000109.9G8 I19N6-G8 PolarHBondContact OD1-N 3.42Å; N6-I19 WeakPolarHBondContact OD1-CG2 3.49Å
7L95.6Very high85Confident88 Ų8866.4 Ų66.446%0.46137%0.372SS..EExtended strand (participates in β ladder)trans-106.5-10.7179.1-56.8-176.8000113.7E5 K20 K22 I29E5-L7 HydrophobicContact CG-CD2 4.19Å; L7-K20 HydrophobicContact CB-CB 4.4Å; L7-K20 HydrophobicContact CB-CG 4.26Å; L7-K20 WeakPolarHBondContact CB-O 3.16Å; L7-K20 HydrophobicContact CD1-CG 4.42Å; L7-K20 PolarHBondContact N-O 3.33Å; L7-K22 HydrophobicContact CD1-CB 4.08Å; L7-K22 HydrophobicContact CD2-CB 4.47Å; L7-K22 HydrophobicContact CG-CB 4.34Å; L7-I29 HydrophobicContact CD1-CD1 3.93Å
8G93.9Very high85.4Confident28 Ų2865.1 Ų65.129%0.28937%0.366SS..EExtended strand (participates in β ladder)trans147.6168.9179.500000114.5N6 I19 K20N6-G8 PolarHBondContact OD1-N 3.42Å; G8-I19 WeakPolarHBondContact O-CG2 3.45Å; G8-K20 PolarHBondContact N-O 2.7Å; G8-K20 PolarHBondContact O-N 2.94Å
9L91.5Very high85.8Confident107 Ų10763.1 Ų63.156%0.5635%0.354SS*.EExtended strand (participates in β ladder)trans-75.7138.7169.2-171.568.5000109.6G11 M17L9-G11 WeakPolarHBondContact CD1-O 3.24Å; L9-M17 HydrophobicContact CD1-CB 3.92Å
10V87.7Confident86.3Confident81 Ų8163 Ų6349%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-98.6-41.7169.8-177.70000110.2V18 K20 F82V10-V18 HydrophobicContact CB-CB 4.27Å; V10-V18 HydrophobicContact CB-CG1 4.04Å; V10-V18 HydrophobicContact CG2-CG1 4.39Å; V10-V18 PolarHBondContact N-O 2.79Å; V10-K20 HydrophobicContact CG2-CB 3.67Å; V10-F82 HydrophobicContact CG2-CE2 4.05Å
11G80.5Confident86.8Confident30 Ų3060 Ų6031%0.30933%0.333SS..EExtended strand (participates in β ladder)trans-173.1166.9178.300000112.3L9 V18L9-G11 WeakPolarHBondContact CD1-O 3.24Å; G11-V18 PolarHBondContact N-O 2.95Å; G11-V18 PolarHBondContact O-N 3.47Å
12E79.3Confident87.3Confident132 Ų13261.2 Ų61.262%0.61734%0.337SS*.EExtended strand (participates in β ladder)trans-139.4142.4178.7-178161.9-139.800109.5M17E12-M17 HydrophobicContact CB-CB 4.49Å; E12-M17 HydrophobicContact CG-CB 4.43Å; E12-M17 VanDerWaalsContact OE1-CE 3.3Å; E12-M17 WeakPolarHBondContact OE1-CE 3.16Å
13G68.5Low87.6Confident46 Ų4656.3 Ų56.347%0.47432%0.315SS..EExtended strand (participates in β ladder)trans-157.4-179.9-179.200000111.5Y15 G16G13-Y15 PolarHBondContact O-N 2.81Å; G13-G16 PolarHBondContact N-O 3.35Å; G13-G16 PolarHBondContact O-N 3.28Å
14S62.9Low87.7Confident71 Ų7159.4 Ų59.450%0.49733%0.328SS..THydrogen-bonded Turntrans-57.8-18.6-166.2-500000116.1S487S14-S487 PolarHBondContact OG-OG 3.26Å
15Y66Low87.7Confident50 Ų5065.5 Ų65.520%0.19636%0.357CS..THydrogen-bonded Turntrans-101.4-5.8178-54.8-60.6000114.4G13 F35 I36 I47 F147G13-Y15 PolarHBondContact O-N 2.81Å; Y15-F35 WeakPolarHBondContact O-CA 3.35Å; Y15-I36 PolarHBondContact O-N 3.39Å; Y15-I47 HydrophobicContact CE1-CD1 3.77Å; Y15-F147 AromaticContact CE2-CE1 3.98Å; Y15-F147 HydrophobicContact CE2-CE1 3.98Å; Y15-F147 AromaticContact CE2-CZ 3.76Å; Y15-F147 HydrophobicContact CE2-CZ 3.76Å; Y15-F147 WeakPolarHBondContact OH-CE1 3.43Å
16G76.3Confident87.6Confident10 Ų1063.8 Ų63.810%0.10336%0.355CS..EExtended strand (participates in β ladder)trans138.5-153.4179.900000114G13 K34G13-G16 PolarHBondContact N-O 3.35Å; G13-G16 PolarHBondContact O-N 3.28Å; G16-K34 WeakPolarHBondContact CA-O 3.5Å
17M86.3Confident87.4Confident39 Ų3960 Ų6019%0.19234%0.34CS..EExtended strand (participates in β ladder)trans-127.4141.5-167.154.4-179.952.800112.5L9 E12 I19 K34L9-M17 HydrophobicContact CD1-CB 3.92Å; E12-M17 HydrophobicContact CB-CB 4.49Å; E12-M17 HydrophobicContact CG-CB 4.43Å; E12-M17 VanDerWaalsContact OE1-CE 3.3Å; E12-M17 WeakPolarHBondContact OE1-CE 3.16Å; M17-I19 HydrophobicContact CG-CD1 4.42Å; M17-I19 HydrophobicContact CG-CG1 4.42Å; M17-I19 HydrophobicContact SD-CD1 4.23Å; M17-K34 HydrophobicContact CG-CB 4.19Å; M17-K34 HydrophobicContact CG-CD 3.87Å; M17-K34 HydrophobicContact CG-CG 4.4Å; M17-K34 PolarHBondContact N-O 3.36Å; M17-K34 VanDerWaalsContact N-O 3.08Å; M17-K34 PolarHBondContact O-N 3.36Å; M17-K34 HydrophobicContact SD-CD 3.9Å; M17-K34 PolarHBondContact SD-NZ 3.25Å
18V90.7Very high87.3Confident43 Ų4358.7 Ų58.726%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-102.3120.8176.3-175.20000108.8V10 G11 A31 I32 K33V10-V18 HydrophobicContact CB-CB 4.27Å; V10-V18 HydrophobicContact CB-CG1 4.04Å; V10-V18 HydrophobicContact CG2-CG1 4.39Å; V10-V18 PolarHBondContact N-O 2.79Å; G11-V18 PolarHBondContact N-O 2.95Å; G11-V18 PolarHBondContact O-N 3.47Å; V18-A31 HydrophobicContact CG1-CB 4.03Å; V18-I32 WeakPolarHBondContact CA-O 3.41Å; V18-K33 HydrophobicContact CG2-CB 4.29Å; V18-K33 HydrophobicContact CG2-CG 4.23Å
19I93.9Very high87.4Confident27 Ų2759.9 Ų59.914%0.13833%0.329CS..EExtended strand (participates in β ladder)trans-113.8130.5-173.7-54.5177.8000109.2N6 G8 M17 I32 K34N6-I19 WeakPolarHBondContact OD1-CG2 3.49Å; G8-I19 WeakPolarHBondContact O-CG2 3.45Å; M17-I19 HydrophobicContact CG-CD1 4.42Å; M17-I19 HydrophobicContact CG-CG1 4.42Å; M17-I19 HydrophobicContact SD-CD1 4.23Å; I19-I32 PolarHBondContact N-O 3.11Å; I19-I32 PolarHBondContact O-N 3.29Å; I19-K34 HydrophobicContact CD1-CD 4.37Å
20K95.9Very high87.7Confident60 Ų6055 Ų5526%0.26130%0.303SS..EExtended strand (participates in β ladder)trans-77.4122.3172.4-170172.1-172.7166.50108.1L7 G8 V10 I29 F82L7-K20 HydrophobicContact CB-CB 4.4Å; L7-K20 HydrophobicContact CB-CG 4.26Å; L7-K20 WeakPolarHBondContact CB-O 3.16Å; L7-K20 HydrophobicContact CD1-CG 4.42Å; L7-K20 PolarHBondContact N-O 3.33Å; G8-K20 PolarHBondContact N-O 2.7Å; G8-K20 PolarHBondContact O-N 2.94Å; V10-K20 HydrophobicContact CG2-CB 3.67Å; K20-I29 HydrophobicContact CD-CG2 4.44Å; K20-I29 HydrophobicContact CG-CG2 3.95Å; K20-F82 HydrophobicContact CB-CE2 4.4Å; K20-F82 HydrophobicContact CD-CD2 4.22Å; K20-F82 HydrophobicContact CD-CE1 4.27Å; K20-F82 HydrophobicContact CD-CE2 3.68Å; K20-F82 HydrophobicContact CD-CZ 3.74Å; K20-F82 VanDerWaalsContact CE-CE1 3.41Å; K20-F82 HydrophobicContact CG-CD2 3.94Å; K20-F82 HydrophobicContact CG-CE2 3.84Å; K20-F82 HydrophobicContact CG-CZ 4.37Å
21C96.8Very high88Confident0 Ų051.8 Ų51.80%029%0.285CS..EExtended strand (participates in β ladder)trans-129155.8180-69.40000111.5Y4 E5 I29 V30 I32Y4-C21 HydrophobicContact CD1-CB 4.29Å; Y4-C21 HydrophobicContact CG-CB 4.45Å; E5-C21 CarbonylContact O-C 3.43Å; E5-C21 WeakPolarHBondContact O-CA 3.33Å; E5-C21 VanDerWaalsContact O-CB 3.27Å; E5-C21 WeakPolarHBondContact O-CB 3.44Å; C21-I29 CarbonylContact O-C 3.17Å; C21-I29 WeakPolarHBondContact O-CA 3.3Å; C21-V30 HydrophobicContact CB-CG2 3.85Å; C21-V30 PolarHBondContact N-O 3.15Å; C21-V30 PolarHBondContact O-N 3.46Å; C21-I32 HydrophobicContact CB-CD1 3.83Å; C21-I32 HydrophobicContact CB-CG1 4.11Å
22K97.2Very high88.7Confident82 Ų8250.4 Ų50.436%0.35727%0.271SS..EExtended strand (participates in β ladder)trans-105.4132.7166.7-179.6174.6176.1-168.10109.1Y4 E5 L7 K24 I29Y4-K22 WeakPolarHBondContact CA-O 3.38Å; E5-K22 HydrophobicContact CB-CB 4.35Å; E5-K22 PolarHBondContact N-O 3.2Å; E5-K22 PolarHBondContact O-N 3.39Å; L7-K22 HydrophobicContact CD1-CB 4.08Å; L7-K22 HydrophobicContact CD2-CB 4.47Å; L7-K22 HydrophobicContact CG-CB 4.34Å; K22-K24 PolarHBondContact O-N 2.7Å; K22-I29 HydrophobicContact CB-CD1 3.98Å; K22-I29 HydrophobicContact CD-CD1 4.41Å; K22-I29 HydrophobicContact CG-CD1 4.05Å
23N96.3Very high89.2Confident16 Ų1645.2 Ų45.29%0.08625%0.246CC..EExtended strand (participates in β ladder)trans-71.2123.8165-172.4-18.4000108.4K3 Y4 E25 S26 G27 R28K3-N23 WeakPolarHBondContact O-CA 3.46Å; K3-N23 PolarHBondContact O-OD1 2.88Å; Y4-N23 HydrophobicContact CD1-CB 4.24Å; Y4-N23 HydrophobicContact CE1-CB 3.94Å; N23-E25 VanDerWaalsContact C-N 3.32Å; N23-E25 WeakPolarHBondContact OD1-CB 3.41Å; N23-E25 PolarHBondContact OD1-N 2.67Å; N23-S26 PolarHBondContact ND2-OG 3.3Å; N23-S26 VanDerWaalsContact ND2-OG 3.11Å; N23-G27 CarbonylContact O-C 3.46Å; N23-G27 WeakPolarHBondContact O-CA 3.3Å; N23-G27 PolarHBondContact O-N 2.96Å; N23-R28 PolarHBondContact N-O 3.24Å
24K95.9Very high90.1Very high127 Ų12744.8 Ų44.855%0.55223%0.231SC*.THydrogen-bonded Turntrans-69.3-31.2-179.6-65.1176-178.9168.70112.7E2 K3 E5 K22E2-K24 WeakPolarHBondContact O-CD 3.21Å; E2-K24 WeakPolarHBondContact O-CE 3.28Å; E2-K24 PolarHBondContact O-NZ 2.86Å; K3-K24 PolarHBondContact O-N 2.68Å; E5-K24 HydrophobicContact CB-CG 4.27Å; K22-K24 PolarHBondContact O-N 2.7Å
25E94.1Very high91Very high143 Ų14341.5 Ų41.567%0.66821%0.208SC*.THydrogen-bonded Turntrans-80.2-53.1-178.7-63.6152.3-162.500110.7K3 N23K3-E25 WeakPolarHBondContact CB-OE1 3.44Å; N23-E25 VanDerWaalsContact C-N 3.32Å; N23-E25 WeakPolarHBondContact OD1-CB 3.41Å; N23-E25 PolarHBondContact OD1-N 2.67Å
26S93.9Very high91.1Very high55 Ų5542.3 Ų42.339%0.38522%0.215SC..THydrogen-bonded Turntrans-1005-172.9730000114.9N23 R28 P313N23-S26 PolarHBondContact ND2-OG 3.3Å; N23-S26 VanDerWaalsContact ND2-OG 3.11Å; S26-R28 PolarHBondContact O-N 2.98Å; S26-P313 WeakPolarHBondContact O-CD 3.26Å; S26-P313 VanDerWaalsContact O-CG 3.24Å; S26-P313 WeakPolarHBondContact O-CG 3.38Å
27G93Very high90.5Very high24 Ų2445.9 Ų45.925%0.24723%0.232CC..  trans63.1-14.3-17800000116.6N23N23-G27 CarbonylContact O-C 3.46Å; N23-G27 WeakPolarHBondContact O-CA 3.3Å; N23-G27 PolarHBondContact O-N 2.96Å
28R93.5Very high89.3Confident61 Ų6144.2 Ų44.223%0.2322%0.223CC..  trans-65.6138.8-172-172.8174.8-178.2-166-1.5112.3N23 S26 E81 N311N23-R28 PolarHBondContact N-O 3.24Å; S26-R28 PolarHBondContact O-N 2.98Å; R28-E81 IonicContact NH2-OE2 2.75Å; R28-N311 PolarHBondContact NE-OD1 2.86Å
29I95.8Very high87.7Confident54 Ų5444.4 Ų44.428%0.27722%0.222SC..EExtended strand (participates in β ladder)trans-82.7136174.5-47.7-56.2000109.8L7 K20 C21 K22 F82L7-I29 HydrophobicContact CD1-CD1 3.93Å; K20-I29 HydrophobicContact CD-CG2 4.44Å; K20-I29 HydrophobicContact CG-CG2 3.95Å; C21-I29 CarbonylContact O-C 3.17Å; C21-I29 WeakPolarHBondContact O-CA 3.3Å; K22-I29 HydrophobicContact CB-CD1 3.98Å; K22-I29 HydrophobicContact CD-CD1 4.41Å; K22-I29 HydrophobicContact CG-CD1 4.05Å; I29-F82 HydrophobicContact CB-CB 4.21Å; I29-F82 HydrophobicContact CG2-CB 3.74Å; I29-F82 HydrophobicContact CG2-CD1 3.83Å; I29-F82 HydrophobicContact CG2-CD2 4.38Å; I29-F82 HydrophobicContact CG2-CG 3.7Å
30V96.2Very high86.4Confident4 Ų448.6 Ų48.62%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-136.2154.3-177-61.20000111.1Y4 C21 I32 L67 V79 F80Y4-V30 HydrophobicContact CD1-CG2 3.88Å; Y4-V30 HydrophobicContact CE1-CG2 3.65Å; C21-V30 HydrophobicContact CB-CG2 3.85Å; C21-V30 PolarHBondContact N-O 3.15Å; C21-V30 PolarHBondContact O-N 3.46Å; V30-I32 HydrophobicContact CG2-CD1 4.24Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; V30-L67 HydrophobicContact CG1-CD1 3.79Å; V30-V79 HydrophobicContact CB-CG1 3.7Å; V30-V79 HydrophobicContact CG1-CG1 4Å; V30-V79 HydrophobicContact CG2-CG1 3.84Å; V30-F80 WeakPolarHBondContact CA-O 3.39Å; V30-F80 VanDerWaalsContact CB-O 3.3Å; V30-F80 WeakPolarHBondContact CB-O 3.16Å
31A95.7Very high85.2Confident13 Ų1349 Ų4911%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-102.3126169.700000109.2V18 F80 F82V18-A31 HydrophobicContact CG1-CB 4.03Å; A31-F80 HydrophobicContact CB-CB 4.41Å; A31-F80 PolarHBondContact N-O 2.86Å; A31-F80 PolarHBondContact O-N 2.86Å; A31-F82 HydrophobicContact CB-CD2 4.3Å
32I93.8Very high84.3Confident2 Ų257.7 Ų57.71%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-112.2106-179.3-50.4-167.6000109.9M1 Y4 V18 I19 C21 V30 K34 Y77 L78 V79M1-I32 HydrophobicContact SD-CD1 4.4Å; Y4-I32 HydrophobicContact CD1-CD1 4.17Å; Y4-I32 HydrophobicContact CD2-CD1 3.65Å; Y4-I32 HydrophobicContact CE2-CD1 4.05Å; Y4-I32 HydrophobicContact CG-CD1 3.74Å; V18-I32 WeakPolarHBondContact CA-O 3.41Å; I19-I32 PolarHBondContact N-O 3.11Å; I19-I32 PolarHBondContact O-N 3.29Å; C21-I32 HydrophobicContact CB-CD1 3.83Å; C21-I32 HydrophobicContact CB-CG1 4.11Å; V30-I32 HydrophobicContact CG2-CD1 4.24Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; I32-K34 PolarHBondContact O-N 3.45Å; I32-Y77 HydrophobicContact CG2-CD1 3.83Å; I32-Y77 HydrophobicContact CG2-CG 4.45Å; I32-L78 CarbonylContact C-O 3.6Å; I32-L78 WeakPolarHBondContact CA-O 3.16Å; I32-V79 HydrophobicContact CD1-CG2 4.13Å; I32-V79 HydrophobicContact CG1-CG1 4.31Å; I32-V79 HydrophobicContact CG1-CG2 4.12Å; I32-V79 HydrophobicContact CG2-CG2 4.3Å
33K90.1Very high83.1Confident22 Ų2258.7 Ų58.710%0.09629%0.293CS..EExtended strand (participates in β ladder)trans-78.7103171.8-171.6175.9175.2-172.50108.2V18 F35 E51 Y77 L78 F80 D144V18-K33 HydrophobicContact CG2-CB 4.29Å; V18-K33 HydrophobicContact CG2-CG 4.23Å; K33-F35 HydrophobicContact CD-CE2 3.98Å; K33-F35 HydrophobicContact CD-CZ 3.98Å; K33-F35 HydrophobicContact CG-CD2 4.46Å; K33-F35 HydrophobicContact CG-CE2 3.88Å; K33-F35 HydrophobicContact CG-CZ 4.29Å; K33-E51 IonicContact NZ-OE1 3.95Å; K33-E51 PolarHBondContact NZ-OE1 3.18Å; K33-E51 IonicContact NZ-OE2 3.83Å; K33-E51 PolarHBondContact NZ-OE2 3.38Å; K33-Y77 WeakPolarHBondContact O-CA 3.3Å; K33-L78 HydrophobicContact CB-CB 4.43Å; K33-L78 PolarHBondContact N-O 3.44Å; K33-L78 PolarHBondContact O-N 2.97Å; K33-F80 HydrophobicContact CB-CD2 4.45Å; K33-F80 HydrophobicContact CB-CE2 3.92Å; K33-F80 HydrophobicContact CD-CE2 4.37Å; K33-D144 IonicContact NZ-OD1 2.71Å; K33-D144 PolarHBondContact NZ-OD1 3.31Å
34K88.7Confident81.9Confident38 Ų3859 Ų5917%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-92.1114176.5167.6-164.9153.6-150.10108.3G16 M17 I19 I32 Y77G16-K34 WeakPolarHBondContact CA-O 3.5Å; M17-K34 HydrophobicContact CG-CB 4.19Å; M17-K34 HydrophobicContact CG-CD 3.87Å; M17-K34 HydrophobicContact CG-CG 4.4Å; M17-K34 PolarHBondContact N-O 3.36Å; M17-K34 VanDerWaalsContact N-O 3.08Å; M17-K34 PolarHBondContact O-N 3.36Å; M17-K34 HydrophobicContact SD-CD 3.9Å; M17-K34 PolarHBondContact SD-NZ 3.25Å; I19-K34 HydrophobicContact CD1-CD 4.37Å; I32-K34 PolarHBondContact O-N 3.45Å; K34-Y77 HydrophobicContact CB-CD1 3.84Å; K34-Y77 HydrophobicContact CB-CE1 3.76Å; K34-Y77 HydrophobicContact CD-CE1 4.06Å; K34-Y77 HydrophobicContact CG-CD1 4.13Å; K34-Y77 HydrophobicContact CG-CE1 3.6Å
35F80.5Confident80.8Confident1 Ų156.3 Ų56.30%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-76.6143.7174.6-72.3-101.6000111.1Y15 K33 V44 A48 L76 L78Y15-F35 WeakPolarHBondContact O-CA 3.35Å; K33-F35 HydrophobicContact CD-CE2 3.98Å; K33-F35 HydrophobicContact CD-CZ 3.98Å; K33-F35 HydrophobicContact CG-CD2 4.46Å; K33-F35 HydrophobicContact CG-CE2 3.88Å; K33-F35 HydrophobicContact CG-CZ 4.29Å; F35-V44 HydrophobicContact CD1-CG1 4.28Å; F35-A48 HydrophobicContact CD1-CB 4.08Å; F35-A48 HydrophobicContact CE1-CB 3.86Å; F35-A48 HydrophobicContact CE2-CB 4.47Å; F35-A48 HydrophobicContact CG-CB 4.45Å; F35-A48 HydrophobicContact CZ-CB 4.07Å; F35-L76 PolarHBondContact N-O 3.22Å; F35-L78 HydrophobicContact CD2-CD1 4.15Å; F35-L78 HydrophobicContact CE2-CD1 3.71Å; F35-L78 HydrophobicContact CE2-CD2 4.05Å; F35-L78 HydrophobicContact CE2-CG 4.36Å; F35-L78 HydrophobicContact CZ-CD2 4.48Å
36I67.6Low80Confident68 Ų6855 Ų5535%0.34928%0.276SS..SBendtrans-87.3132.9170.1-64.9175.3000108Y15 S38Y15-I36 PolarHBondContact O-N 3.39Å; I36-S38 PolarHBondContact O-N 3.06Å
37D65.6Low79Confident85 Ų8553 Ų5346%0.45526%0.26SS..SBendtrans49.129.5167.3-49.2-20.9000117.8E39 R75D37-E39 PolarHBondContact O-N 3.41Å; D37-R75 IonicContact OD1-CZ 3.4Å; D37-R75 IonicContact OD1-NE 2.78Å; D37-R75 PolarHBondContact OD1-NE 3.37Å; D37-R75 IonicContact OD1-NH2 3.32Å; D37-R75 PolarHBondContact OD1-NH2 2.97Å
38S61.2Low78Confident3 Ų351.9 Ų51.92%0.02125%0.249CC..THydrogen-bonded Turntrans-59.39.1-176.359.60000119.3I36 K74 L76I36-S38 PolarHBondContact O-N 3.06Å; S38-K74 PolarHBondContact OG-O 3.19Å; S38-L76 WeakPolarHBondContact OG-CB 3.15Å; S38-L76 PolarHBondContact OG-N 2.94Å; S38-L76 VanDerWaalsContact OG-N 3.1Å
39E55.9Low77.4Confident48 Ų4852.7 Ų52.722%0.22426%0.257CS..THydrogen-bonded Turntrans-120.4-40.9-177.2-80.9-75.8172.700113.3D37 K45 R71 K74D37-E39 PolarHBondContact O-N 3.41Å; E39-K45 WeakPolarHBondContact OE2-CE 3.49Å; E39-K45 IonicContact OE2-NZ 2.7Å; E39-K45 PolarHBondContact OE2-NZ 2.81Å; E39-R71 WeakPolarHBondContact OE1-CD 3.27Å; E39-R71 IonicContact OE1-CZ 2.88Å; E39-R71 IonicContact OE1-NE 3.68Å; E39-R71 IonicContact OE1-NH1 2.7Å; E39-R71 PolarHBondContact OE1-NH1 2.87Å; E39-R71 IonicContact OE2-NH1 3.31Å; E39-K74 HydrophobicContact CB-CB 4.16Å; E39-K74 HydrophobicContact CB-CD 4.26Å; E39-K74 HydrophobicContact CB-CG 4.32Å; E39-K74 HydrophobicContact CG-CB 4.04Å; E39-K74 HydrophobicContact CG-CG 4.37Å; E39-K74 WeakPolarHBondContact CG-O 3.16Å
40D67.1Low76.4Confident114 Ų11452.9 Ų52.961%0.6125%0.254SS*.THydrogen-bonded Turntrans-88.2-32.5-176-59.5-42.1000110.4K42 K74D40-K42 PolarHBondContact O-N 3.15Å; D40-K74 IonicContact OD1-NZ 3.11Å; D40-K74 PolarHBondContact OD1-NZ 3.5Å; D40-K74 WeakPolarHBondContact OD2-CD 3.37Å; D40-K74 IonicContact OD2-NZ 2.64Å; D40-K74 PolarHBondContact OD2-NZ 3.37Å
41D70.6Confident75.4Confident69 Ų6952.7 Ų52.737%0.36925%0.254SS..  trans-80.6114.2163.7178.121.8000112.2H43 V44 K45D41-H43 VanDerWaalsContact C-N 3.28Å; D41-H43 PolarHBondContact O-N 3.15Å; D41-H43 WeakPolarHBondContact OD1-CB 3.35Å; D41-H43 PolarHBondContact OD1-N 2.85Å; D41-V44 HydrophobicContact CB-CB 4.4Å; D41-V44 WeakPolarHBondContact OD2-CB 3.48Å; D41-V44 WeakPolarHBondContact OD2-CG2 3.43Å; D41-V44 PolarHBondContact OD2-N 3.06Å; D41-K45 VanDerWaalsContact O-CB 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.31Å; D41-K45 PolarHBondContact O-N 3Å
42K77.1Confident74.7Confident182 Ų18252.9 Ų52.979%0.79125%0.252SS*.Hα-helixtrans-63.6-29.4174.6-63.3173.5-175.3168.30112.7D40 K46D40-K42 PolarHBondContact O-N 3.15Å; K42-K46 WeakPolarHBondContact O-CB 3.48Å; K42-K46 PolarHBondContact O-N 3.5Å
43H72.4Confident74.1Confident103 Ų10361 Ų6148%0.47728%0.283SS..Hα-helixtrans-74.4-55.5-177.9-167.2104.3000111.5D41 K45 K46 I47D41-H43 VanDerWaalsContact C-N 3.28Å; D41-H43 PolarHBondContact O-N 3.15Å; D41-H43 WeakPolarHBondContact OD1-CB 3.35Å; D41-H43 PolarHBondContact OD1-N 2.85Å; H43-K45 PolarHBondContact O-N 3.12Å; H43-K46 WeakPolarHBondContact O-CA 3.24Å; H43-K46 WeakPolarHBondContact O-CB 3.43Å; H43-K46 PolarHBondContact O-N 2.85Å; H43-I47 PolarHBondContact O-N 3.47Å
44V70.4Confident73.5Confident22 Ų2260.4 Ų60.413%0.13328%0.281CS..Hα-helixtrans-55.8-38.6172.4168.20000111F35 D41 I47 A48F35-V44 HydrophobicContact CD1-CG1 4.28Å; D41-V44 HydrophobicContact CB-CB 4.4Å; D41-V44 WeakPolarHBondContact OD2-CB 3.48Å; D41-V44 WeakPolarHBondContact OD2-CG2 3.43Å; D41-V44 PolarHBondContact OD2-N 3.06Å; V44-I47 PolarHBondContact O-N 2.84Å; V44-A48 PolarHBondContact O-N 2.79Å
45K74.5Confident73.1Confident72 Ų7259 Ų5931%0.31328%0.275SS..Hα-helixtrans-62.6-41.1174-163171.2-165.81680112.9E39 D41 H43 L49E39-K45 WeakPolarHBondContact OE2-CE 3.49Å; E39-K45 IonicContact OE2-NZ 2.7Å; E39-K45 PolarHBondContact OE2-NZ 2.81Å; D41-K45 VanDerWaalsContact O-CB 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.31Å; D41-K45 PolarHBondContact O-N 3Å; H43-K45 PolarHBondContact O-N 3.12Å; K45-L49 HydrophobicContact CG-CD1 4.12Å; K45-L49 VanDerWaalsContact O-CB 3.31Å; K45-L49 WeakPolarHBondContact O-CB 3.47Å; K45-L49 VanDerWaalsContact O-CG 3.26Å; K45-L49 WeakPolarHBondContact O-CG 3.47Å; K45-L49 PolarHBondContact O-N 3.35Å; K45-L49 VanDerWaalsContact O-N 3.07Å
46K76.5Confident73.1Confident116 Ų11666 Ų6650%0.50431%0.305SS..Hα-helixtrans-64.2-40.2173-174.5-178173.7-171.20111.5K42 H43 R50 E156K42-K46 WeakPolarHBondContact O-CB 3.48Å; K42-K46 PolarHBondContact O-N 3.5Å; H43-K46 WeakPolarHBondContact O-CA 3.24Å; H43-K46 WeakPolarHBondContact O-CB 3.43Å; H43-K46 PolarHBondContact O-N 2.85Å; K46-R50 VanDerWaalsContact O-CB 3.29Å; K46-R50 WeakPolarHBondContact O-CB 3.32Å; K46-R50 PolarHBondContact O-N 3.36Å; K46-R50 VanDerWaalsContact O-N 3.16Å; K46-E156 IonicContact NZ-OE1 2.98Å; K46-E156 PolarHBondContact NZ-OE1 2.84Å
47I72.3Confident73.6Confident12 Ų1269.4 Ų69.46%0.06232%0.32CS..Hα-helixtrans-63.3-56.9175.9-67.1176.5000110.5Y15 H43 V44 L49 R50 E51Y15-I47 HydrophobicContact CE1-CD1 3.77Å; H43-I47 PolarHBondContact O-N 3.47Å; V44-I47 PolarHBondContact O-N 2.84Å; I47-L49 PolarHBondContact O-N 2.9Å; I47-R50 WeakPolarHBondContact O-CA 3.37Å; I47-R50 WeakPolarHBondContact O-CB 3.42Å; I47-R50 PolarHBondContact O-N 2.77Å; I47-E51 PolarHBondContact O-N 2.69Å
48A73.6Confident74.4Confident0 Ų065.7 Ų65.70%030%0.3CS..Hα-helixtrans-66.8-34.8-173.100000112.7F35 V44 R50 E51 I52 L76F35-A48 HydrophobicContact CD1-CB 4.08Å; F35-A48 HydrophobicContact CE1-CB 3.86Å; F35-A48 HydrophobicContact CE2-CB 4.47Å; F35-A48 HydrophobicContact CG-CB 4.45Å; F35-A48 HydrophobicContact CZ-CB 4.07Å; V44-A48 PolarHBondContact O-N 2.79Å; A48-R50 VanDerWaalsContact C-N 3.35Å; A48-E51 PolarHBondContact O-N 2.84Å; A48-I52 WeakPolarHBondContact O-CB 3.2Å; A48-I52 WeakPolarHBondContact O-CD1 3.41Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.46Å; A48-I52 PolarHBondContact O-N 2.8Å; A48-L76 HydrophobicContact CB-CD2 3.55Å
49L79.2Confident75.8Confident79 Ų7974.6 Ų74.641%0.41433%0.333SS..Hα-helixtrans-67.9-32.3172.2-71.1173.6000112.8K45 I47 R53K45-L49 HydrophobicContact CG-CD1 4.12Å; K45-L49 VanDerWaalsContact O-CB 3.31Å; K45-L49 WeakPolarHBondContact O-CB 3.47Å; K45-L49 VanDerWaalsContact O-CG 3.26Å; K45-L49 WeakPolarHBondContact O-CG 3.47Å; K45-L49 PolarHBondContact O-N 3.35Å; K45-L49 VanDerWaalsContact O-N 3.07Å; I47-L49 PolarHBondContact O-N 2.9Å; L49-R53 WeakPolarHBondContact O-CB 3.24Å; L49-R53 WeakPolarHBondContact O-CD 3.38Å; L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 2.89Å; L49-R53 VanDerWaalsContact O-N 3.13Å
50R75.2Confident77.6Confident57 Ų5774 Ų7422%0.21533%0.33CS..Hα-helixtrans-67.3-48.1171.4169.2-177.2-93.3155.5163.5110.5K46 I47 A48 I52 R53 M54 E156K46-R50 VanDerWaalsContact O-CB 3.29Å; K46-R50 WeakPolarHBondContact O-CB 3.32Å; K46-R50 PolarHBondContact O-N 3.36Å; K46-R50 VanDerWaalsContact O-N 3.16Å; I47-R50 WeakPolarHBondContact O-CA 3.37Å; I47-R50 WeakPolarHBondContact O-CB 3.42Å; I47-R50 PolarHBondContact O-N 2.77Å; A48-R50 VanDerWaalsContact C-N 3.35Å; R50-I52 PolarHBondContact O-N 3.22Å; R50-R53 PolarHBondContact O-N 3.03Å; R50-M54 HydrophobicContact CG-SD 3.78Å; R50-M54 WeakPolarHBondContact O-CG 3.29Å; R50-M54 PolarHBondContact O-N 3Å; R50-E156 IonicContact CZ-OE2 2.88Å; R50-E156 VanDerWaalsContact NH1-CD 3.34Å; R50-E156 IonicContact NH1-OE1 3.84Å; R50-E156 PolarHBondContact NH1-OE1 3.37Å; R50-E156 IonicContact NH1-OE2 3.63Å; R50-E156 PolarHBondContact NH1-OE2 3.31Å; R50-E156 IonicContact NH2-OE1 3.6Å; R50-E156 IonicContact NH2-OE2 3.51Å
51E74.6Confident78.9Confident1 Ų171.7 Ų71.71%0.00532%0.318CS..Hα-helixtrans-56.7-48.4177-166.5-179.2144.400111.3K33 I47 A48 R53 M54 L55 L78K33-E51 IonicContact NZ-OE1 3.95Å; K33-E51 PolarHBondContact NZ-OE1 3.18Å; K33-E51 IonicContact NZ-OE2 3.83Å; K33-E51 PolarHBondContact NZ-OE2 3.38Å; I47-E51 PolarHBondContact O-N 2.69Å; A48-E51 PolarHBondContact O-N 2.84Å; E51-R53 PolarHBondContact O-N 3.28Å; E51-M54 PolarHBondContact O-N 2.9Å; E51-L55 HydrophobicContact CG-CD1 3.84Å; E51-L55 HydrophobicContact CG-CG 4.5Å; E51-L55 WeakPolarHBondContact O-CB 3.33Å; E51-L55 VanDerWaalsContact O-CG 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.42Å; E51-L55 PolarHBondContact O-N 3.04Å; E51-L78 HydrophobicContact CG-CD2 4.41Å
52I81.4Confident80.2Confident16 Ų1668.4 Ų68.48%0.08230%0.3CS..Hα-helixtrans-60.6-42.4176.1-68.6161.2000112.3A48 R50 K56 V69 L76 L78A48-I52 WeakPolarHBondContact O-CB 3.2Å; A48-I52 WeakPolarHBondContact O-CD1 3.41Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.46Å; A48-I52 PolarHBondContact O-N 2.8Å; R50-I52 PolarHBondContact O-N 3.22Å; I52-K56 HydrophobicContact CG2-CD 4.14Å; I52-K56 HydrophobicContact CG2-CG 4.4Å; I52-K56 WeakPolarHBondContact O-CB 3.26Å; I52-K56 WeakPolarHBondContact O-CG 3.31Å; I52-K56 PolarHBondContact O-N 3.35Å; I52-V69 HydrophobicContact CD1-CG1 3.75Å; I52-V69 HydrophobicContact CD1-CG2 4.36Å; I52-V69 HydrophobicContact CG1-CG1 4.37Å; I52-V69 HydrophobicContact CG1-CG2 4.08Å; I52-V69 HydrophobicContact CG2-CG2 4.19Å; I52-L76 HydrophobicContact CD1-CD1 4.21Å; I52-L76 HydrophobicContact CD1-CD2 3.87Å; I52-L76 HydrophobicContact CD1-CG 4.4Å; I52-L78 HydrophobicContact CD1-CD1 3.92Å; I52-L78 HydrophobicContact CG1-CD1 3.94Å; I52-L78 HydrophobicContact CG1-CD2 4.02Å; I52-L78 HydrophobicContact CG1-CG 4.04Å
53R80.9Confident81.1Confident174 Ų17459.9 Ų59.966%0.65726%0.263SS*.Hα-helixtrans-62.6-44.3179.7-77.8168.2-178.7-175.30.1111.3L49 R50 E51L49-R53 WeakPolarHBondContact O-CB 3.24Å; L49-R53 WeakPolarHBondContact O-CD 3.38Å; L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 2.89Å; L49-R53 VanDerWaalsContact O-N 3.13Å; R50-R53 PolarHBondContact O-N 3.03Å; E51-R53 PolarHBondContact O-N 3.28Å
54M77.6Confident82.1Confident9 Ų955.3 Ų55.34%0.04424%0.242CC..Hα-helixtrans-69.3-47.2179.9-62.7172.385.600110.9R50 E51 K56 Q57 L58 I122 A148R50-M54 HydrophobicContact CG-SD 3.78Å; R50-M54 WeakPolarHBondContact O-CG 3.29Å; R50-M54 PolarHBondContact O-N 3Å; E51-M54 PolarHBondContact O-N 2.9Å; M54-K56 VanDerWaalsContact C-N 3.28Å; M54-K56 PolarHBondContact O-N 2.88Å; M54-Q57 PolarHBondContact O-N 3.05Å; M54-L58 HydrophobicContact CB-CD1 4.49Å; M54-L58 WeakPolarHBondContact O-CB 3.12Å; M54-L58 WeakPolarHBondContact O-CG 3.31Å; M54-L58 PolarHBondContact O-N 3.43Å; M54-I122 HydrophobicContact CE-CB 4.21Å; M54-I122 HydrophobicContact CE-CD1 3.71Å; M54-I122 HydrophobicContact CE-CG1 3.64Å; M54-I122 HydrophobicContact CE-CG2 3.56Å; M54-I122 HydrophobicContact CG-CD1 4.48Å; M54-A148 HydrophobicContact CE-CB 3.69Å; M54-A148 HydrophobicContact SD-CB 4.28Å
55L80.8Confident83Confident7 Ų756.6 Ų56.64%0.03725%0.248CC..Hα-helixtrans-61.7-29176.4-75.9169.8000114.3E51 Q57 L66 L78 F80 F145E51-L55 HydrophobicContact CG-CD1 3.84Å; E51-L55 HydrophobicContact CG-CG 4.5Å; E51-L55 WeakPolarHBondContact O-CB 3.33Å; E51-L55 VanDerWaalsContact O-CG 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.42Å; E51-L55 PolarHBondContact O-N 3.04Å; L55-Q57 VanDerWaalsContact C-N 3.3Å; L55-L66 HydrophobicContact CB-CB 4.02Å; L55-L66 HydrophobicContact CB-CD2 3.59Å; L55-L66 HydrophobicContact CB-CG 4.41Å; L55-L66 HydrophobicContact CD1-CB 4.39Å; L55-L66 HydrophobicContact CD1-CD1 4.44Å; L55-L66 HydrophobicContact CD1-CD2 4.09Å; L55-L66 HydrophobicContact CG-CD2 4.49Å; L55-L78 HydrophobicContact CD1-CD2 4.02Å; L55-F80 HydrophobicContact CD1-CE1 3.59Å; L55-F80 HydrophobicContact CD1-CZ 3.61Å; L55-F80 HydrophobicContact CD2-CE1 4Å; L55-F80 HydrophobicContact CG-CE1 4.45Å; L55-F145 HydrophobicContact CD2-CD2 3.57Å; L55-F145 HydrophobicContact CD2-CE2 4.03Å; L55-F145 HydrophobicContact CD2-CG 4.37Å; L55-F145 HydrophobicContact CG-CD2 4.43Å
56K81.1Confident83.9Confident149 Ų14954.2 Ų54.265%0.64824%0.239SC*.Hα-helixtrans-72.5-22.8174-81.3-174.4173.2-166.50113.5I52 M54 L66I52-K56 HydrophobicContact CG2-CD 4.14Å; I52-K56 HydrophobicContact CG2-CG 4.4Å; I52-K56 WeakPolarHBondContact O-CB 3.26Å; I52-K56 WeakPolarHBondContact O-CG 3.31Å; I52-K56 PolarHBondContact O-N 3.35Å; M54-K56 VanDerWaalsContact C-N 3.28Å; M54-K56 PolarHBondContact O-N 2.88Å; K56-L66 HydrophobicContact CG-CD2 4.49Å
57Q77.7Confident84.6Confident140 Ų14052.1 Ų52.165%0.65423%0.233SC*.Hα-helixtrans-95.5-31.1178.3-67.6174.5-28.900111.8M54 L55 R59M54-Q57 PolarHBondContact O-N 3.05Å; L55-Q57 VanDerWaalsContact C-N 3.3Å; Q57-R59 PolarHBondContact O-N 3.19Å
58L82.9Confident85.5Confident7 Ų754.1 Ų54.14%0.03724%0.242CC..  trans-84.8100.4-178.7-69.7173.5000112.1M54 L63 F116 H120 I122 F145M54-L58 HydrophobicContact CB-CD1 4.49Å; M54-L58 WeakPolarHBondContact O-CB 3.12Å; M54-L58 WeakPolarHBondContact O-CG 3.31Å; M54-L58 PolarHBondContact O-N 3.43Å; L58-L63 HydrophobicContact CB-CD1 3.92Å; L58-L63 HydrophobicContact CD2-CD1 4.3Å; L58-F116 HydrophobicContact CB-CE1 4.41Å; L58-F116 HydrophobicContact CD2-CD1 3.93Å; L58-F116 HydrophobicContact CD2-CE1 3.64Å; L58-H120 HydrophobicContact CD2-CB 4.36Å; L58-I122 HydrophobicContact CD1-CD1 4.01Å; L58-I122 HydrophobicContact CD2-CD1 4.03Å; L58-I122 HydrophobicContact CG-CD1 4.11Å; L58-F145 HydrophobicContact CD1-CD1 3.96Å; L58-F145 HydrophobicContact CD1-CE1 3.96Å
59R89.7Confident86.3Confident189 Ų18956.5 Ų56.571%0.71326%0.257SS*.  trans-126.7111.4170.5-77.1-178.2166.9-178.7-4.8111Q57 F116Q57-R59 PolarHBondContact O-N 3.19Å; R59-F116 WeakPolarHBondContact O-CZ 3.45Å
60H94.3Very high86.9Confident37 Ų3754.6 Ų54.617%0.17125%0.245CC..  trans-158.1148.8178.6171.9-100.8000109.5N62 L63 R112 F116H60-N62 PolarHBondContact CE1-OD1 3.17Å; H60-N62 PolarHBondContact ND1-N 2.63Å; H60-N62 PolarHBondContact O-N 3.13Å; H60-N62 VanDerWaalsContact O-N 3.12Å; H60-L63 HydrophobicContact CB-CD1 4.15Å; H60-L63 HydrophobicContact CB-CG 4.1Å; H60-L63 PolarHBondContact O-N 2.91Å; H60-R112 PolarHBondContact NE2-NH2 2.67Å; H60-F116 HydrophobicContact CB-CB 4.31Å; H60-F116 HydrophobicContact CB-CD1 3.71Å; H60-F116 HydrophobicContact CB-CD2 3.74Å; H60-F116 HydrophobicContact CB-CE1 3.85Å; H60-F116 HydrophobicContact CB-CE2 3.89Å; H60-F116 HydrophobicContact CB-CG 3.64Å; H60-F116 HydrophobicContact CB-CZ 3.94Å; H60-F116 AromaticContact CD2-CD2 3.87Å; H60-F116 AromaticContact CG-CD2 3.92Å; H60-F116 AromaticContact CG-CG 3.82Å
61D95.1Very high87.5Confident64 Ų6459.2 Ų59.234%0.34226%0.262SS..THydrogen-bonded Turntrans-48-46.4-173.9-48.8-39.8000112.9L63 R112 K141 I304D61-L63 VanDerWaalsContact C-N 3.3Å; D61-L63 PolarHBondContact O-N 2.94Å; D61-R112 IonicContact OD2-CZ 3.42Å; D61-R112 IonicContact OD2-NH1 3.53Å; D61-R112 IonicContact OD2-NH2 3.49Å; D61-R112 PolarHBondContact OD2-NH2 2.95Å; D61-K141 PolarHBondContact O-NZ 3.46Å; D61-I304 HydrophobicContact CB-CD1 3.68Å
62N96.9Very high88Confident0 Ų063.7 Ų63.70%028%0.279CS..THydrogen-bonded Turntrans-8919-174.8-56.6118000114.3H60 Q109 R112 V140 K141 L142H60-N62 PolarHBondContact CE1-OD1 3.17Å; H60-N62 PolarHBondContact ND1-N 2.63Å; H60-N62 PolarHBondContact O-N 3.13Å; H60-N62 VanDerWaalsContact O-N 3.12Å; N62-Q109 WeakPolarHBondContact CB-O 3.5Å; N62-Q109 PolarHBondContact ND2-OE1 3.38Å; N62-Q109 VanDerWaalsContact ND2-OE1 3.08Å; N62-R112 PolarHBondContact OD1-NH1 2.71Å; N62-V140 WeakPolarHBondContact CA-O 3.5Å; N62-V140 WeakPolarHBondContact CB-O 3.46Å; N62-V140 PolarHBondContact ND2-O 3.41Å; N62-K141 WeakPolarHBondContact O-CA 3.44Å; N62-L142 PolarHBondContact O-N 2.71Å
63L95.1Very high88.2Confident3 Ų372 Ų722%0.01632%0.315CS..BIsolated β-bridgetrans-116.7155166.8-47.6-178.8000109.4L58 H60 D61 F116 K141 L142 F145L58-L63 HydrophobicContact CB-CD1 3.92Å; L58-L63 HydrophobicContact CD2-CD1 4.3Å; H60-L63 HydrophobicContact CB-CD1 4.15Å; H60-L63 HydrophobicContact CB-CG 4.1Å; H60-L63 PolarHBondContact O-N 2.91Å; D61-L63 VanDerWaalsContact C-N 3.3Å; D61-L63 PolarHBondContact O-N 2.94Å; L63-F116 HydrophobicContact CD1-CD1 3.74Å; L63-F116 HydrophobicContact CD1-CE1 4.03Å; L63-K141 PolarHBondContact O-NZ 2.92Å; L63-L142 HydrophobicContact CD2-CB 3.98Å; L63-L142 HydrophobicContact CD2-CD1 3.92Å; L63-L142 HydrophobicContact CD2-CG 4.18Å; L63-F145 HydrophobicContact CB-CZ 4.36Å; L63-F145 HydrophobicContact CD1-CZ 4.38Å; L63-F145 HydrophobicContact CD2-CZ 4.04Å; L63-F145 HydrophobicContact CG-CZ 4.48Å
64V93.8Very high88.1Confident7 Ų769 Ų694%0.04231%0.306CS..  trans-74.2124.7175.170.70000111.2L66 F80 E81 L133 L142 C143 F145V64-L66 PolarHBondContact O-N 3.19Å; V64-F80 HydrophobicContact CG1-CD1 3.86Å; V64-F80 HydrophobicContact CG1-CE1 4.11Å; V64-F80 HydrophobicContact CG2-CB 4.02Å; V64-F80 HydrophobicContact CG2-CD1 4.09Å; V64-F80 HydrophobicContact CG2-CG 4.42Å; V64-E81 HydrophobicContact CG2-CG 3.88Å; V64-L133 HydrophobicContact CB-CD1 4.23Å; V64-L133 HydrophobicContact CG2-CD1 4.01Å; V64-L142 WeakPolarHBondContact CG1-O 3.07Å; V64-L142 PolarHBondContact N-O 2.98Å; V64-C143 HydrophobicContact CB-CB 4.21Å; V64-C143 HydrophobicContact CG1-CB 3.63Å; V64-F145 HydrophobicContact CG1-CE2 4.5Å
65N90.8Very high88.3Confident49 Ų4972.9 Ų72.926%0.26232%0.321SS..  trans-73.8120.3179.5-73.9-77.8000111.7L67 F80 E81N65-L67 HydrophobicContact CB-CD2 4.24Å; N65-L67 PolarHBondContact O-N 3.17Å; N65-F80 VanDerWaalsContact O-CA 3.31Å; N65-F80 WeakPolarHBondContact O-CA 3.46Å; N65-E81 HydrophobicContact CB-CG 4.26Å; N65-E81 WeakPolarHBondContact CB-OE1 3.45Å; N65-E81 PolarHBondContact N-OE1 3.37Å; N65-E81 PolarHBondContact ND2-OE1 3.34Å; N65-E81 PolarHBondContact ND2-OE2 3.38Å; N65-E81 PolarHBondContact O-N 3.38Å; N65-E81 VanDerWaalsContact O-N 3.13Å
66L91.7Very high88.6Confident23 Ų2373.6 Ų73.612%0.1233%0.325CS..EExtended strand (participates in β ladder)trans-72.1111.8161.5179.968.4000108.9L55 K56 V64 V69 L78 F80L55-L66 HydrophobicContact CB-CB 4.02Å; L55-L66 HydrophobicContact CB-CD2 3.59Å; L55-L66 HydrophobicContact CB-CG 4.41Å; L55-L66 HydrophobicContact CD1-CB 4.39Å; L55-L66 HydrophobicContact CD1-CD1 4.44Å; L55-L66 HydrophobicContact CD1-CD2 4.09Å; L55-L66 HydrophobicContact CG-CD2 4.49Å; K56-L66 HydrophobicContact CG-CD2 4.49Å; V64-L66 PolarHBondContact O-N 3.19Å; L66-V69 HydrophobicContact CD1-CG2 4.08Å; L66-V69 HydrophobicContact CD2-CG2 3.84Å; L66-V69 HydrophobicContact CG-CG2 4.29Å; L66-L78 HydrophobicContact CD1-CB 3.83Å; L66-L78 HydrophobicContact CD1-CD2 4.43Å; L66-L78 HydrophobicContact CD1-CG 4.03Å; L66-F80 HydrophobicContact CB-CD1 4.26Å; L66-F80 HydrophobicContact CB-CE1 4.12Å; L66-F80 HydrophobicContact CD1-CD1 4.29Å; L66-F80 HydrophobicContact CD1-CE1 3.98Å; L66-F80 HydrophobicContact CD1-CE2 4.46Å; L66-F80 HydrophobicContact CD1-CZ 4.09Å
67L91.8Very high89Confident71 Ų7167.9 Ų67.937%0.37230%0.299SS..EExtended strand (participates in β ladder)trans-83.1-48.4-178-56.3179.8000111.5V30 N65 V79 E81V30-L67 HydrophobicContact CG1-CD1 3.79Å; N65-L67 HydrophobicContact CB-CD2 4.24Å; N65-L67 PolarHBondContact O-N 3.17Å; L67-V79 HydrophobicContact CB-CG1 4.48Å; L67-V79 WeakPolarHBondContact CB-O 3.42Å; L67-V79 PolarHBondContact N-O 3.38Å; L67-E81 HydrophobicContact CD1-CB 4.48Å
68E91.3Very high89.7Confident54 Ų5461.2 Ų61.225%0.25227%0.268SS..EExtended strand (participates in β ladder)trans-154167.4176.865.4174.1-153.800112.9K3 Y4 F70 V79K3-E68 WeakPolarHBondContact CE-OE1 3.21Å; K3-E68 WeakPolarHBondContact CE-OE2 3.25Å; K3-E68 IonicContact NZ-OE1 3.67Å; K3-E68 PolarHBondContact NZ-OE1 3.23Å; K3-E68 IonicContact NZ-OE2 3.1Å; K3-E68 PolarHBondContact NZ-OE2 3.38Å; Y4-E68 VanDerWaalsContact CE2-OE1 3.24Å; Y4-E68 WeakPolarHBondContact CE2-OE1 3.28Å; Y4-E68 PolarHBondContact OH-OE1 3.45Å; E68-F70 WeakPolarHBondContact OE1-CD1 3.44Å; E68-V79 HydrophobicContact CG-CB 3.62Å; E68-V79 HydrophobicContact CG-CG1 4.29Å; E68-V79 HydrophobicContact CG-CG2 3.59Å; E68-V79 PolarHBondContact N-O 3.08Å; E68-V79 PolarHBondContact O-N 3.48Å
69V90.9Very high90.2Very high51 Ų5160.9 Ų60.931%0.30927%0.266SS..EExtended strand (participates in β ladder)trans-132.6130.9173.1-179.80000108.1I52 L66 L76 Y77 L78I52-V69 HydrophobicContact CD1-CG1 3.75Å; I52-V69 HydrophobicContact CD1-CG2 4.36Å; I52-V69 HydrophobicContact CG1-CG1 4.37Å; I52-V69 HydrophobicContact CG1-CG2 4.08Å; I52-V69 HydrophobicContact CG2-CG2 4.19Å; L66-V69 HydrophobicContact CD1-CG2 4.08Å; L66-V69 HydrophobicContact CD2-CG2 3.84Å; L66-V69 HydrophobicContact CG-CG2 4.29Å; V69-L76 HydrophobicContact CG1-CD1 3.71Å; V69-Y77 WeakPolarHBondContact CA-O 3.29Å; V69-L78 HydrophobicContact CG1-CD1 4.31Å; V69-L78 HydrophobicContact CG2-CG 4.27Å
70F91.2Very high90.4Very high39 Ų3952.9 Ų52.917%0.17124%0.237CC..EExtended strand (participates in β ladder)trans-140.1164.7172.565.5-98.9000112M1 Y4 E68 Y77 V79M1-F70 HydrophobicContact CG-CE2 3.75Å; M1-F70 HydrophobicContact CG-CZ 3.95Å; M1-F70 HydrophobicContact SD-CE2 3.92Å; M1-F70 HydrophobicContact SD-CZ 3.51Å; M1-F70 VanDerWaalsContact SD-CZ 3.51Å; Y4-F70 HydrophobicContact CD2-CE1 4.22Å; Y4-F70 HydrophobicContact CD2-CZ 4.48Å; Y4-F70 AromaticContact CE2-CE1 3.79Å; Y4-F70 HydrophobicContact CE2-CE1 3.79Å; Y4-F70 HydrophobicContact CE2-CZ 4.48Å; E68-F70 WeakPolarHBondContact OE1-CD1 3.44Å; F70-Y77 AromaticContact CD2-CD2 3.96Å; F70-Y77 HydrophobicContact CD2-CD2 3.96Å; F70-Y77 HydrophobicContact CD2-CG 4.09Å; F70-Y77 AromaticContact CE2-CD1 3.97Å; F70-Y77 HydrophobicContact CE2-CD1 3.97Å; F70-Y77 AromaticContact CE2-CD2 3.5Å; F70-Y77 HydrophobicContact CE2-CD2 3.5Å; F70-Y77 HydrophobicContact CE2-CE2 4.25Å; F70-Y77 AromaticContact CE2-CG 3.35Å; F70-Y77 HydrophobicContact CE2-CG 3.35Å; F70-Y77 VanDerWaalsContact CZ-CB 3.45Å; F70-Y77 HydrophobicContact CZ-CD1 4.05Å; F70-Y77 HydrophobicContact CZ-CD2 4.33Å; F70-Y77 AromaticContact CZ-CG 3.71Å; F70-Y77 HydrophobicContact CZ-CG 3.71Å; F70-Y77 PolarHBondContact N-O 2.49Å; F70-Y77 PolarHBondContact O-N 3.19Å; F70-V79 HydrophobicContact CD1-CG2 4.12Å; F70-V79 HydrophobicContact CE1-CG2 3.55Å
71R87.1Confident90.3Very high153 Ų15352.2 Ų52.258%0.57723%0.234SC*.EExtended strand (participates in β ladder)trans-119.3139.8177-160-179.274136.22.7110.5E39 R75E39-R71 WeakPolarHBondContact OE1-CD 3.27Å; E39-R71 IonicContact OE1-CZ 2.88Å; E39-R71 IonicContact OE1-NE 3.68Å; E39-R71 IonicContact OE1-NH1 2.7Å; E39-R71 PolarHBondContact OE1-NH1 2.87Å; E39-R71 IonicContact OE2-NH1 3.31Å; R71-R75 WeakPolarHBondContact CA-O 3.12Å; R71-R75 WeakPolarHBondContact CG-O 3.49Å
72R85.5Confident90.3Very high96 Ų9650.8 Ų50.836%0.36223%0.225SC..EExtended strand (participates in β ladder)trans-147.3129.2174-174.6179.1-175.189-12.1110.3E2 K74 R75 Y77E2-R72 IonicContact OE1-CZ 2.67Å; E2-R72 IonicContact OE1-NH1 2.72Å; E2-R72 PolarHBondContact OE1-NH1 3.36Å; E2-R72 IonicContact OE1-NH2 2.72Å; E2-R72 PolarHBondContact OE1-NH2 2.99Å; E2-R72 IonicContact OE2-CZ 3.96Å; E2-R72 IonicContact OE2-NH1 2.63Å; E2-R72 PolarHBondContact OE2-NH1 3.09Å; E2-R72 IonicContact OE2-NH2 3.49Å; R72-K74 PolarHBondContact O-N 2.88Å; R72-R75 PolarHBondContact N-O 2.97Å; R72-R75 PolarHBondContact O-N 2.86Å; R72-Y77 HydrophobicContact CB-CD2 4.46Å; R72-Y77 HydrophobicContact CB-CE2 3.89Å
73K85.4Confident90.2Very high191 Ų19151.8 Ų51.883%0.8323%0.23SC*.THydrogen-bonded Turntrans45.162.7179.2-64.3-171.9175-169.30112.8R75K73-R75 PolarHBondContact O-N 3.43Å
74K80Confident89.8Confident109 Ų10954.4 Ų54.447%0.47425%0.245SC..THydrogen-bonded Turntrans56.4-4.7-172.4-74-166.4-177.9-1680117.2S38 E39 D40 R72S38-K74 PolarHBondContact OG-O 3.19Å; E39-K74 HydrophobicContact CB-CB 4.16Å; E39-K74 HydrophobicContact CB-CD 4.26Å; E39-K74 HydrophobicContact CB-CG 4.32Å; E39-K74 HydrophobicContact CG-CB 4.04Å; E39-K74 HydrophobicContact CG-CG 4.37Å; E39-K74 WeakPolarHBondContact CG-O 3.16Å; D40-K74 IonicContact OD1-NZ 3.11Å; D40-K74 PolarHBondContact OD1-NZ 3.5Å; D40-K74 WeakPolarHBondContact OD2-CD 3.37Å; D40-K74 IonicContact OD2-NZ 2.64Å; D40-K74 PolarHBondContact OD2-NZ 3.37Å; R72-K74 PolarHBondContact O-N 2.88Å
75R81.6Confident89.8Confident91 Ų9156.2 Ų56.234%0.34325%0.254SS..EExtended strand (participates in β ladder)trans-98.1139.7-179-69.8176.7175.6151.5-3.9112.1D37 R71 R72 K73 Y77D37-R75 IonicContact OD1-CZ 3.4Å; D37-R75 IonicContact OD1-NE 2.78Å; D37-R75 PolarHBondContact OD1-NE 3.37Å; D37-R75 IonicContact OD1-NH2 3.32Å; D37-R75 PolarHBondContact OD1-NH2 2.97Å; R71-R75 WeakPolarHBondContact CA-O 3.12Å; R71-R75 WeakPolarHBondContact CG-O 3.49Å; R72-R75 PolarHBondContact N-O 2.97Å; R72-R75 PolarHBondContact O-N 2.86Å; K73-R75 PolarHBondContact O-N 3.43Å; R75-Y77 HydrophobicContact CB-CE2 3.76Å; R75-Y77 VanDerWaalsContact O-CD2 3.29Å; R75-Y77 WeakPolarHBondContact O-CD2 3.24Å; R75-Y77 VanDerWaalsContact O-CE2 3.31Å; R75-Y77 WeakPolarHBondContact O-CE2 3.09Å
76L86.7Confident90.1Very high23 Ų2355 Ų5512%0.1225%0.248CC..EExtended strand (participates in β ladder)trans-94.7137.7178.9-176.661000110.4F35 S38 A48 I52 V69 L78F35-L76 PolarHBondContact N-O 3.22Å; S38-L76 WeakPolarHBondContact OG-CB 3.15Å; S38-L76 PolarHBondContact OG-N 2.94Å; S38-L76 VanDerWaalsContact OG-N 3.1Å; A48-L76 HydrophobicContact CB-CD2 3.55Å; I52-L76 HydrophobicContact CD1-CD1 4.21Å; I52-L76 HydrophobicContact CD1-CD2 3.87Å; I52-L76 HydrophobicContact CD1-CG 4.4Å; V69-L76 HydrophobicContact CG1-CD1 3.71Å; L76-L78 HydrophobicContact CD1-CD1 4.47Å; L76-L78 HydrophobicContact CD2-CD1 4.32Å; L76-L78 HydrophobicContact CG-CD1 3.94Å
77Y90.3Very high90.3Very high28 Ų2853.9 Ų53.911%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-131123.5-176.9-62.5-102.8000109.3M1 I32 K33 K34 V69 F70 R72 R75M1-Y77 HydrophobicContact CG-CE1 4.41Å; M1-Y77 HydrophobicContact SD-CD1 4.15Å; M1-Y77 HydrophobicContact SD-CE1 4.09Å; I32-Y77 HydrophobicContact CG2-CD1 3.83Å; I32-Y77 HydrophobicContact CG2-CG 4.45Å; K33-Y77 WeakPolarHBondContact O-CA 3.3Å; K34-Y77 HydrophobicContact CB-CD1 3.84Å; K34-Y77 HydrophobicContact CB-CE1 3.76Å; K34-Y77 HydrophobicContact CD-CE1 4.06Å; K34-Y77 HydrophobicContact CG-CD1 4.13Å; K34-Y77 HydrophobicContact CG-CE1 3.6Å; V69-Y77 WeakPolarHBondContact CA-O 3.29Å; F70-Y77 AromaticContact CD2-CD2 3.96Å; F70-Y77 HydrophobicContact CD2-CD2 3.96Å; F70-Y77 HydrophobicContact CD2-CG 4.09Å; F70-Y77 AromaticContact CE2-CD1 3.97Å; F70-Y77 HydrophobicContact CE2-CD1 3.97Å; F70-Y77 AromaticContact CE2-CD2 3.5Å; F70-Y77 HydrophobicContact CE2-CD2 3.5Å; F70-Y77 HydrophobicContact CE2-CE2 4.25Å; F70-Y77 AromaticContact CE2-CG 3.35Å; F70-Y77 HydrophobicContact CE2-CG 3.35Å; F70-Y77 VanDerWaalsContact CZ-CB 3.45Å; F70-Y77 HydrophobicContact CZ-CD1 4.05Å; F70-Y77 HydrophobicContact CZ-CD2 4.33Å; F70-Y77 AromaticContact CZ-CG 3.71Å; F70-Y77 HydrophobicContact CZ-CG 3.71Å; F70-Y77 PolarHBondContact N-O 2.49Å; F70-Y77 PolarHBondContact O-N 3.19Å; R72-Y77 HydrophobicContact CB-CD2 4.46Å; R72-Y77 HydrophobicContact CB-CE2 3.89Å; R75-Y77 HydrophobicContact CB-CE2 3.76Å; R75-Y77 VanDerWaalsContact O-CD2 3.29Å; R75-Y77 WeakPolarHBondContact O-CD2 3.24Å; R75-Y77 VanDerWaalsContact O-CE2 3.31Å; R75-Y77 WeakPolarHBondContact O-CE2 3.09Å
78L90.8Very high90.5Very high0 Ų051.7 Ų51.70%023%0.231CC..EExtended strand (participates in β ladder)trans-104.5126.6171.5-78.857.6000107.7I32 K33 F35 E51 I52 L55 L66 V69 L76 F80I32-L78 CarbonylContact C-O 3.6Å; I32-L78 WeakPolarHBondContact CA-O 3.16Å; K33-L78 HydrophobicContact CB-CB 4.43Å; K33-L78 PolarHBondContact N-O 3.44Å; K33-L78 PolarHBondContact O-N 2.97Å; F35-L78 HydrophobicContact CD2-CD1 4.15Å; F35-L78 HydrophobicContact CE2-CD1 3.71Å; F35-L78 HydrophobicContact CE2-CD2 4.05Å; F35-L78 HydrophobicContact CE2-CG 4.36Å; F35-L78 HydrophobicContact CZ-CD2 4.48Å; E51-L78 HydrophobicContact CG-CD2 4.41Å; I52-L78 HydrophobicContact CD1-CD1 3.92Å; I52-L78 HydrophobicContact CG1-CD1 3.94Å; I52-L78 HydrophobicContact CG1-CD2 4.02Å; I52-L78 HydrophobicContact CG1-CG 4.04Å; L55-L78 HydrophobicContact CD1-CD2 4.02Å; L66-L78 HydrophobicContact CD1-CB 3.83Å; L66-L78 HydrophobicContact CD1-CD2 4.43Å; L66-L78 HydrophobicContact CD1-CG 4.03Å; V69-L78 HydrophobicContact CG1-CD1 4.31Å; V69-L78 HydrophobicContact CG2-CG 4.27Å; L76-L78 HydrophobicContact CD1-CD1 4.47Å; L76-L78 HydrophobicContact CD2-CD1 4.32Å; L76-L78 HydrophobicContact CG-CD1 3.94Å; L78-F80 HydrophobicContact CB-CD2 4.34Å; L78-F80 HydrophobicContact CB-CE2 3.57Å; L78-F80 HydrophobicContact CB-CZ 4.02Å; L78-F80 HydrophobicContact CD2-CE2 4.29Å; L78-F80 HydrophobicContact CD2-CZ 3.99Å
79V93.6Very high90.7Very high0 Ų051.9 Ų51.90%023%0.234CC..EExtended strand (participates in β ladder)trans-105.7121.7179-175.80000109.1Y4 V30 I32 L67 E68 F70Y4-V79 HydrophobicContact CE2-CG2 4.14Å; V30-V79 HydrophobicContact CB-CG1 3.7Å; V30-V79 HydrophobicContact CG1-CG1 4Å; V30-V79 HydrophobicContact CG2-CG1 3.84Å; I32-V79 HydrophobicContact CD1-CG2 4.13Å; I32-V79 HydrophobicContact CG1-CG1 4.31Å; I32-V79 HydrophobicContact CG1-CG2 4.12Å; I32-V79 HydrophobicContact CG2-CG2 4.3Å; L67-V79 HydrophobicContact CB-CG1 4.48Å; L67-V79 WeakPolarHBondContact CB-O 3.42Å; L67-V79 PolarHBondContact N-O 3.38Å; E68-V79 HydrophobicContact CG-CB 3.62Å; E68-V79 HydrophobicContact CG-CG1 4.29Å; E68-V79 HydrophobicContact CG-CG2 3.59Å; E68-V79 PolarHBondContact N-O 3.08Å; E68-V79 PolarHBondContact O-N 3.48Å; F70-V79 HydrophobicContact CD1-CG2 4.12Å; F70-V79 HydrophobicContact CE1-CG2 3.55Å
80F93.8Very high90.9Very high21 Ų2149.9 Ų49.99%0.09222%0.221CC..EExtended strand (participates in β ladder)trans-112162.2178.8-61.8-88.9000110.9V30 A31 K33 L55 V64 N65 L66 L78V30-F80 WeakPolarHBondContact CA-O 3.39Å; V30-F80 VanDerWaalsContact CB-O 3.3Å; V30-F80 WeakPolarHBondContact CB-O 3.16Å; A31-F80 HydrophobicContact CB-CB 4.41Å; A31-F80 PolarHBondContact N-O 2.86Å; A31-F80 PolarHBondContact O-N 2.86Å; K33-F80 HydrophobicContact CB-CD2 4.45Å; K33-F80 HydrophobicContact CB-CE2 3.92Å; K33-F80 HydrophobicContact CD-CE2 4.37Å; L55-F80 HydrophobicContact CD1-CE1 3.59Å; L55-F80 HydrophobicContact CD1-CZ 3.61Å; L55-F80 HydrophobicContact CD2-CE1 4Å; L55-F80 HydrophobicContact CG-CE1 4.45Å; V64-F80 HydrophobicContact CG1-CD1 3.86Å; V64-F80 HydrophobicContact CG1-CE1 4.11Å; V64-F80 HydrophobicContact CG2-CB 4.02Å; V64-F80 HydrophobicContact CG2-CD1 4.09Å; V64-F80 HydrophobicContact CG2-CG 4.42Å; N65-F80 VanDerWaalsContact O-CA 3.31Å; N65-F80 WeakPolarHBondContact O-CA 3.46Å; L66-F80 HydrophobicContact CB-CD1 4.26Å; L66-F80 HydrophobicContact CB-CE1 4.12Å; L66-F80 HydrophobicContact CD1-CD1 4.29Å; L66-F80 HydrophobicContact CD1-CE1 3.98Å; L66-F80 HydrophobicContact CD1-CE2 4.46Å; L66-F80 HydrophobicContact CD1-CZ 4.09Å; L78-F80 HydrophobicContact CB-CD2 4.34Å; L78-F80 HydrophobicContact CB-CE2 3.57Å; L78-F80 HydrophobicContact CB-CZ 4.02Å; L78-F80 HydrophobicContact CD2-CE2 4.29Å; L78-F80 HydrophobicContact CD2-CZ 3.99Å
81E93.9Very high91.1Very high23 Ų2348.5 Ų48.511%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-59141.3160.965.4-168.6156.600110.9R28 V64 N65 L67 K141R28-E81 IonicContact NH2-OE2 2.75Å; V64-E81 HydrophobicContact CG2-CG 3.88Å; N65-E81 HydrophobicContact CB-CG 4.26Å; N65-E81 WeakPolarHBondContact CB-OE1 3.45Å; N65-E81 PolarHBondContact N-OE1 3.37Å; N65-E81 PolarHBondContact ND2-OE1 3.34Å; N65-E81 PolarHBondContact ND2-OE2 3.38Å; N65-E81 PolarHBondContact O-N 3.38Å; N65-E81 VanDerWaalsContact O-N 3.13Å; L67-E81 HydrophobicContact CD1-CB 4.48Å; E81-K141 WeakPolarHBondContact OE1-CD 3.19Å; E81-K141 VanDerWaalsContact OE1-CE 3.24Å; E81-K141 WeakPolarHBondContact OE1-CE 3.44Å; E81-K141 IonicContact OE1-NZ 3.39Å; E81-K141 PolarHBondContact OE1-NZ 3.38Å; E81-K141 IonicContact OE2-NZ 3.51Å
82F94.7Very high91.5Very high35 Ų3546.5 Ų46.515%0.15421%0.213CC..  trans-85.2136.2173.3-177.1-95.6000110.1V10 K20 I29 A31 D84V10-F82 HydrophobicContact CG2-CE2 4.05Å; K20-F82 HydrophobicContact CB-CE2 4.4Å; K20-F82 HydrophobicContact CD-CD2 4.22Å; K20-F82 HydrophobicContact CD-CE1 4.27Å; K20-F82 HydrophobicContact CD-CE2 3.68Å; K20-F82 HydrophobicContact CD-CZ 3.74Å; K20-F82 VanDerWaalsContact CE-CE1 3.41Å; K20-F82 HydrophobicContact CG-CD2 3.94Å; K20-F82 HydrophobicContact CG-CE2 3.84Å; K20-F82 HydrophobicContact CG-CZ 4.37Å; I29-F82 HydrophobicContact CB-CB 4.21Å; I29-F82 HydrophobicContact CG2-CB 3.74Å; I29-F82 HydrophobicContact CG2-CD1 3.83Å; I29-F82 HydrophobicContact CG2-CD2 4.38Å; I29-F82 HydrophobicContact CG2-CG 3.7Å; A31-F82 HydrophobicContact CB-CD2 4.3Å; F82-D84 HydrophobicContact CE1-CB 4.44Å
83V94.4Very high92Very high20 Ų2047.2 Ų47.212%0.12122%0.219CC..  trans-123.9136.9173.9-174.10000107N85 L133 I134 K141V83-N85 PolarHBondContact O-N 3.49Å; V83-L133 HydrophobicContact CB-CB 3.91Å; V83-L133 HydrophobicContact CB-CD1 4.1Å; V83-L133 HydrophobicContact CG1-CB 3.83Å; V83-L133 HydrophobicContact CG2-CB 4.2Å; V83-L133 HydrophobicContact CG2-CD1 3.94Å; V83-I134 WeakPolarHBondContact CG1-O 3.47Å; V83-K141 HydrophobicContact CG2-CD 3.89Å
84D87.3Confident92.4Very high59 Ų5941 Ų4132%0.31619%0.194SC..SBendtrans-71.5-30.3-164.4-72.5-76000116F82 R136F82-D84 HydrophobicContact CE1-CB 4.44Å; D84-R136 HydrophobicContact CB-CG 4.35Å; D84-R136 VanDerWaalsContact CG-NE 3.26Å; D84-R136 IonicContact OD1-CZ 2.7Å; D84-R136 IonicContact OD1-NE 2.67Å; D84-R136 IonicContact OD1-NH2 3.79Å; D84-R136 PolarHBondContact OD1-NH2 2.8Å; D84-R136 WeakPolarHBondContact OD2-CG 3.15Å; D84-R136 IonicContact OD2-CZ 2.68Å; D84-R136 IonicContact OD2-NE 2.86Å; D84-R136 PolarHBondContact OD2-NE 3.41Å; D84-R136 IonicContact OD2-NH2 2.66Å; D84-R136 PolarHBondContact OD2-NH2 2.57Å
85N93.7Very high93.1Very high45 Ų4540.1 Ų40.124%0.24120%0.2CC..EExtended strand (participates in β ladder)trans-140.4170.4-174.4-61.4-100.2000110.7V83 D89 K93 L133 I134V83-N85 PolarHBondContact O-N 3.49Å; N85-D89 HydrophobicContact CB-CB 4.16Å; N85-K93 PolarHBondContact OD1-NZ 3.28Å; N85-L133 CarbonylContact O-C 3.59Å; N85-L133 WeakPolarHBondContact O-CA 3.39Å; N85-I134 HydrophobicContact CB-CG2 3.92Å; N85-I134 PolarHBondContact N-O 2.96Å; N85-I134 PolarHBondContact O-N 2.81Å
86T96.1Very high93.8Very high23 Ų2342.1 Ų42.114%0.14122%0.217CC..EExtended strand (participates in β ladder)trans-115169.3165.3690000110.5L88 D89 D90 E130 I132 L133T86-L88 PolarHBondContact O-N 2.89Å; T86-L88 WeakPolarHBondContact OG1-CB 3.34Å; T86-L88 PolarHBondContact OG1-N 2.89Å; T86-D89 WeakPolarHBondContact CA-OD2 3.45Å; T86-D89 WeakPolarHBondContact CB-OD2 3.36Å; T86-D89 PolarHBondContact N-OD2 3.06Å; T86-D89 WeakPolarHBondContact O-CB 3.4Å; T86-D89 PolarHBondContact O-N 3.3Å; T86-D89 PolarHBondContact OG1-N 2.86Å; T86-D89 PolarHBondContact OG1-OD2 3.1Å; T86-D90 PolarHBondContact O-N 3.25Å; T86-E130 WeakPolarHBondContact CG2-O 3.08Å; T86-I132 CarbonylContact C-O 3.17Å; T86-I132 VanDerWaalsContact CA-O 3.25Å; T86-I132 WeakPolarHBondContact CA-O 3.26Å; T86-L133 HydrophobicContact CG2-CD2 3.92Å
87I97.3Very high94.2Very high0 Ų041.8 Ų41.80%022%0.22CC..Hα-helixtrans-66.5-23.6168.9-63.1-61.4000111.4D90 L91 I98 T106 P129 I132 I134 L191 M195I87-D90 PolarHBondContact O-N 2.94Å; I87-L91 HydrophobicContact CG2-CD1 4.35Å; I87-L91 WeakPolarHBondContact O-CG 3.27Å; I87-L91 PolarHBondContact O-N 3.13Å; I87-I98 HydrophobicContact CG2-CD1 4.42Å; I87-T106 HydrophobicContact CD1-CG2 3.65Å; I87-T106 HydrophobicContact CG1-CG2 3.99Å; I87-P129 HydrophobicContact CB-CB 4.31Å; I87-P129 HydrophobicContact CG2-CB 4.22Å; I87-P129 PolarHBondContact N-O 2.76Å; I87-I132 HydrophobicContact CB-CB 4.13Å; I87-I132 HydrophobicContact CB-CG2 4.46Å; I87-I132 HydrophobicContact CG1-CB 3.67Å; I87-I132 HydrophobicContact CG1-CG2 3.49Å; I87-I132 VanDerWaalsContact CG1-CG2 3.49Å; I87-I132 PolarHBondContact N-O 2.86Å; I87-I134 HydrophobicContact CD1-CB 4.2Å; I87-I134 HydrophobicContact CD1-CD1 3.84Å; I87-I134 HydrophobicContact CD1-CG2 4.18Å; I87-L191 HydrophobicContact CG2-CD1 4.4Å; I87-M195 HydrophobicContact CD1-CE 4.22Å; I87-M195 HydrophobicContact CG2-CE 4.03Å; I87-M195 HydrophobicContact CG2-CG 3.91Å; I87-M195 HydrophobicContact CG2-SD 3.97Å
88L95.1Very high94.5Very high24 Ų2440.9 Ų40.913%0.12622%0.216CC..Hα-helixtrans-63.8-43.4169.1177.559.4000111.5T86 D90 L91 E92 P129 E130 Y476T86-L88 PolarHBondContact O-N 2.89Å; T86-L88 WeakPolarHBondContact OG1-CB 3.34Å; T86-L88 PolarHBondContact OG1-N 2.89Å; L88-D90 PolarHBondContact O-N 3.37Å; L88-L91 PolarHBondContact O-N 2.83Å; L88-L91 VanDerWaalsContact O-N 3.12Å; L88-E92 HydrophobicContact CD1-CG 4Å; L88-E92 HydrophobicContact CG-CG 4.38Å; L88-E92 WeakPolarHBondContact O-CG 3.48Å; L88-E92 PolarHBondContact O-N 2.88Å; L88-P129 HydrophobicContact CB-CB 3.99Å; L88-P129 PolarHBondContact N-O 3.21Å; L88-E130 HydrophobicContact CD2-CB 4.3Å; L88-Y476 VanDerWaalsContact CD1-OH 3.29Å; L88-Y476 WeakPolarHBondContact CD1-OH 3.35Å
89D95.1Very high94.7Very high58 Ų5845 Ų4531%0.3124%0.239SC..Hα-helixtrans-64.2-26.4175.1-59.5-85.1000112.4N85 T86 K93N85-D89 HydrophobicContact CB-CB 4.16Å; T86-D89 WeakPolarHBondContact CA-OD2 3.45Å; T86-D89 WeakPolarHBondContact CB-OD2 3.36Å; T86-D89 PolarHBondContact N-OD2 3.06Å; T86-D89 WeakPolarHBondContact O-CB 3.4Å; T86-D89 PolarHBondContact O-N 3.3Å; T86-D89 PolarHBondContact OG1-N 2.86Å; T86-D89 PolarHBondContact OG1-OD2 3.1Å; D89-K93 WeakPolarHBondContact O-CD 3.49Å; D89-K93 WeakPolarHBondContact O-CE 3.46Å; D89-K93 WeakPolarHBondContact O-CG 3.46Å; D89-K93 PolarHBondContact O-N 3.42Å; D89-K93 PolarHBondContact O-NZ 3.45Å
90D95.6Very high94.8Very high9 Ų948 Ų485%0.04825%0.253CS..Hα-helixtrans-76.1-37.9172.1-83.3-34.4000112.1T86 I87 L88 K93 N94 I98 R102T86-D90 PolarHBondContact O-N 3.25Å; I87-D90 PolarHBondContact O-N 2.94Å; L88-D90 PolarHBondContact O-N 3.37Å; D90-K93 PolarHBondContact O-N 2.84Å; D90-N94 WeakPolarHBondContact O-CB 3.31Å; D90-N94 PolarHBondContact O-N 3.41Å; D90-N94 PolarHBondContact O-ND2 2.77Å; D90-I98 HydrophobicContact CB-CD1 3.79Å; D90-R102 IonicContact OD1-CZ 2.76Å; D90-R102 IonicContact OD1-NH1 2.76Å; D90-R102 IonicContact OD1-NH2 2.71Å; D90-R102 PolarHBondContact OD1-NH2 2.76Å; D90-R102 IonicContact OD2-CZ 3.27Å; D90-R102 IonicContact OD2-NE 3.56Å; D90-R102 IonicContact OD2-NH2 2.78Å; D90-R102 PolarHBondContact OD2-NH2 3.44Å
91L96.2Very high95Very high10 Ų1051.4 Ų51.45%0.05227%0.271CS..Hα-helixtrans-66.4-44.9174.9-75.8165.7000112I87 L88 K93 N94 I98 P129 E194I87-L91 HydrophobicContact CG2-CD1 4.35Å; I87-L91 WeakPolarHBondContact O-CG 3.27Å; I87-L91 PolarHBondContact O-N 3.13Å; L88-L91 PolarHBondContact O-N 2.83Å; L88-L91 VanDerWaalsContact O-N 3.12Å; L91-K93 PolarHBondContact O-N 3.31Å; L91-N94 CarbonylContact O-C 3.56Å; L91-N94 PolarHBondContact O-N 2.98Å; L91-I98 HydrophobicContact CD2-CD1 4.35Å; L91-I98 HydrophobicContact CG-CD1 4.36Å; L91-P129 HydrophobicContact CD1-CB 3.85Å; L91-P129 HydrophobicContact CD1-CG 3.78Å; L91-E194 HydrophobicContact CD1-CG 3.93Å; L91-E194 HydrophobicContact CD2-CG 4.43Å; L91-E194 WeakPolarHBondContact CD2-O 3.5Å
92E94.6Very high95.1Very high111 Ų11154.6 Ų54.652%0.51928%0.282SS..Hα-helixtrans-63.2-25.3177.1-69.2-175.1-178.400111.9L88 K480L88-E92 HydrophobicContact CD1-CG 4Å; L88-E92 HydrophobicContact CG-CG 4.38Å; L88-E92 WeakPolarHBondContact O-CG 3.48Å; L88-E92 PolarHBondContact O-N 2.88Å; E92-K480 IonicContact OE1-NZ 3.61Å; E92-K480 PolarHBondContact OE1-NZ 3.14Å; E92-K480 VanDerWaalsContact OE1-NZ 3.13Å
93K95.5Very high95.3Very high112 Ų11252.9 Ų52.949%0.48728%0.275SS..Hα-helixtrans-84.2-25.3170.5-66.5164.5-157.9133.40113.8N85 D89 D90 L91 P95N85-K93 PolarHBondContact OD1-NZ 3.28Å; D89-K93 WeakPolarHBondContact O-CD 3.49Å; D89-K93 WeakPolarHBondContact O-CE 3.46Å; D89-K93 WeakPolarHBondContact O-CG 3.46Å; D89-K93 PolarHBondContact O-N 3.42Å; D89-K93 PolarHBondContact O-NZ 3.45Å; D90-K93 PolarHBondContact O-N 2.84Å; L91-K93 PolarHBondContact O-N 3.31Å; K93-P95 VanDerWaalsContact C-CD 3.45Å; K93-P95 WeakPolarHBondContact O-CD 3.38Å
94N95.2Very high95.4Very high60 Ų6053 Ų5332%0.32127%0.274SS..  trans-124.768.1-174.5-61.3-85.6000111.3D90 L91 N96 G97 I98D90-N94 WeakPolarHBondContact O-CB 3.31Å; D90-N94 PolarHBondContact O-N 3.41Å; D90-N94 PolarHBondContact O-ND2 2.77Å; L91-N94 CarbonylContact O-C 3.56Å; L91-N94 PolarHBondContact O-N 2.98Å; N94-N96 PolarHBondContact O-N 2.8Å; N94-G97 PolarHBondContact O-N 2.82Å; N94-I98 HydrophobicContact CB-CG1 4.29Å
95P94.2Very high96Very high90 Ų9054.1 Ų54.158%0.58427%0.274SS*.THydrogen-bonded Turntrans-71.111.9-172.631.1-38.9000115.2K93K93-P95 VanDerWaalsContact C-CD 3.45Å; K93-P95 WeakPolarHBondContact O-CD 3.38Å
96N94.7Very high96.2Very high133 Ų13352.1 Ų52.171%0.71126%0.263SS*.THydrogen-bonded Turntrans-117.110.8170.9-63.6-90.5000111.8N94 T197N94-N96 PolarHBondContact O-N 2.8Å; N96-T197 CarbonylContact C-O 3.5Å
97G95.4Very high96.3Very high17 Ų1751 Ų5118%0.17526%0.256CS..  trans96.4158.4-170.300000113.5N94 M195 T197N94-G97 PolarHBondContact O-N 2.82Å; G97-M195 WeakPolarHBondContact CA-O 3.07Å; G97-T197 PolarHBondContact N-O 3.05Å
98I96.4Very high96.4Very high8 Ų851.6 Ų51.64%0.04126%0.259CS..  trans-89.2150171.1-60.6163.5000107.9I87 D90 L91 N94 R102 M195I87-I98 HydrophobicContact CG2-CD1 4.42Å; D90-I98 HydrophobicContact CB-CD1 3.79Å; L91-I98 HydrophobicContact CD2-CD1 4.35Å; L91-I98 HydrophobicContact CG-CD1 4.36Å; N94-I98 HydrophobicContact CB-CG1 4.29Å; I98-R102 HydrophobicContact CG2-CB 3.84Å; I98-R102 HydrophobicContact CG2-CG 3.8Å; I98-M195 WeakPolarHBondContact CA-O 3.26Å; I98-M195 WeakPolarHBondContact CB-O 3.5Å; I98-M195 HydrophobicContact CD1-CE 3.65Å; I98-M195 HydrophobicContact CD1-CG 4.46Å; I98-M195 HydrophobicContact CG2-CE 4.42Å; I98-M195 PolarHBondContact N-O 3.25Å
99D95.8Very high96.5Very high88 Ų8850.5 Ų50.547%0.47125%0.253SS..  trans-62.1155.7-178.772.190.3000113.3L101 R102 T103D99-L101 VanDerWaalsContact C-N 3.28Å; D99-L101 PolarHBondContact O-N 3.33Å; D99-L101 WeakPolarHBondContact OD1-CB 3.48Å; D99-L101 PolarHBondContact OD1-N 3.48Å; D99-L101 VanDerWaalsContact OD1-N 3.09Å; D99-R102 PolarHBondContact O-N 3.25Å; D99-R102 WeakPolarHBondContact OD1-CB 3.36Å; D99-R102 PolarHBondContact OD1-N 2.86Å; D99-R102 WeakPolarHBondContact OD2-CB 3.29Å; D99-T103 VanDerWaalsContact O-CB 3.26Å; D99-T103 WeakPolarHBondContact O-CB 3.47Å; D99-T103 PolarHBondContact O-N 2.88Å; D99-T103 PolarHBondContact O-OG1 2.85Å
100E96.3Very high96.7Very high62 Ų6247.8 Ų47.829%0.2924%0.238SC..Hα-helixtrans-65.7-28.8-173.2-161.2173.4142.100112.4K104 L196 S257 T260E100-K104 WeakPolarHBondContact O-CB 3.48Å; E100-K104 PolarHBondContact O-N 3.45Å; E100-L196 HydrophobicContact CB-CD2 4.24Å; E100-L196 HydrophobicContact CG-CD2 4.17Å; E100-S257 WeakPolarHBondContact OE1-CB 3.17Å; E100-S257 PolarHBondContact OE1-OG 3.46Å; E100-S257 PolarHBondContact OE2-N 3.5Å; E100-S257 VanDerWaalsContact OE2-N 3.11Å; E100-T260 HydrophobicContact CG-CG2 4.36Å; E100-T260 WeakPolarHBondContact OE1-CB 3.31Å; E100-T260 PolarHBondContact OE1-OG1 3.03Å
101L96.7Very high96.9Very high93 Ų9347.3 Ų47.349%0.48724%0.236SC..Hα-helixtrans-77.6-44.9179.6177.561.4000112D99 T103 K104 R105 F292D99-L101 VanDerWaalsContact C-N 3.28Å; D99-L101 PolarHBondContact O-N 3.33Å; D99-L101 WeakPolarHBondContact OD1-CB 3.48Å; D99-L101 PolarHBondContact OD1-N 3.48Å; D99-L101 VanDerWaalsContact OD1-N 3.09Å; L101-T103 VanDerWaalsContact C-N 3.34Å; L101-K104 WeakPolarHBondContact O-CB 3.34Å; L101-K104 PolarHBondContact O-N 3.09Å; L101-R105 WeakPolarHBondContact O-CB 3.43Å; L101-R105 WeakPolarHBondContact O-CG 3.46Å; L101-R105 PolarHBondContact O-N 3.33Å; L101-F292 HydrophobicContact CD1-CD2 4.37Å; L101-F292 HydrophobicContact CD1-CE2 3.84Å
102R96.9Very high97Very high89 Ų8948.6 Ų48.634%0.33624%0.24SC..Hα-helixtrans-64.9-40.3173.5-175.9172.9177.9-171.82.8110.8D90 I98 D99 R105 T106D90-R102 IonicContact OD1-CZ 2.76Å; D90-R102 IonicContact OD1-NH1 2.76Å; D90-R102 IonicContact OD1-NH2 2.71Å; D90-R102 PolarHBondContact OD1-NH2 2.76Å; D90-R102 IonicContact OD2-CZ 3.27Å; D90-R102 IonicContact OD2-NE 3.56Å; D90-R102 IonicContact OD2-NH2 2.78Å; D90-R102 PolarHBondContact OD2-NH2 3.44Å; I98-R102 HydrophobicContact CG2-CB 3.84Å; I98-R102 HydrophobicContact CG2-CG 3.8Å; D99-R102 PolarHBondContact O-N 3.25Å; D99-R102 WeakPolarHBondContact OD1-CB 3.36Å; D99-R102 PolarHBondContact OD1-N 2.86Å; D99-R102 WeakPolarHBondContact OD2-CB 3.29Å; R102-R105 PolarHBondContact O-N 3.01Å; R102-T106 PolarHBondContact O-N 3.22Å; R102-T106 PolarHBondContact O-OG1 3.16Å; R102-T106 VanDerWaalsContact O-OG1 3.14Å
103T98Very high97.1Very high0 Ų043.3 Ų43.30%022%0.215CC..Hα-helixtrans-59.3-47.4171.8-61.20000111.3D99 L101 R105 T106 L107 M195 L196D99-T103 VanDerWaalsContact O-CB 3.26Å; D99-T103 WeakPolarHBondContact O-CB 3.47Å; D99-T103 PolarHBondContact O-N 2.88Å; D99-T103 PolarHBondContact O-OG1 2.85Å; L101-T103 VanDerWaalsContact C-N 3.34Å; T103-R105 PolarHBondContact O-N 2.72Å; T103-T106 PolarHBondContact O-N 3.05Å; T103-L107 HydrophobicContact CG2-CD1 3.68Å; T103-L107 HydrophobicContact CG2-CG 4.18Å; T103-L107 WeakPolarHBondContact O-CB 2.99Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.46Å; T103-L107 PolarHBondContact O-N 3.02Å; T103-M195 HydrophobicContact CG2-CB 3.71Å; T103-M195 HydrophobicContact CG2-CE 4.28Å; T103-M195 HydrophobicContact CG2-SD 4.14Å; T103-L196 HydrophobicContact CG2-CD2 3.88Å; T103-L196 HydrophobicContact CG2-CG 4.01Å
104K98.2Very high97.2Very high22 Ų2238 Ų3810%0.09619%0.192CC..Hα-helixtrans-57.8-45.2174.7-172-179-175.3175.20112.8E100 L101 L107 F108 Y286 F287 F292E100-K104 WeakPolarHBondContact O-CB 3.48Å; E100-K104 PolarHBondContact O-N 3.45Å; L101-K104 WeakPolarHBondContact O-CB 3.34Å; L101-K104 PolarHBondContact O-N 3.09Å; K104-L107 PolarHBondContact O-N 2.93Å; K104-F108 WeakPolarHBondContact O-CB 3.43Å; K104-F108 PolarHBondContact O-N 2.87Å; K104-Y286 WeakPolarHBondContact CA-OH 3.46Å; K104-Y286 HydrophobicContact CB-CE2 4.34Å; K104-Y286 WeakPolarHBondContact CB-OH 3.29Å; K104-Y286 HydrophobicContact CD-CE2 4.03Å; K104-Y286 WeakPolarHBondContact CE-O 3.46Å; K104-Y286 HydrophobicContact CG-CE1 4.23Å; K104-Y286 HydrophobicContact CG-CE2 3.93Å; K104-Y286 PolarHBondContact NZ-O 3.42Å; K104-F287 HydrophobicContact CG-CD1 3.97Å; K104-F287 HydrophobicContact CG-CE1 3.9Å; K104-F287 WeakPolarHBondContact O-CE1 3.48Å; K104-F292 HydrophobicContact CB-CZ 4.33Å; K104-F292 HydrophobicContact CD-CD1 4.18Å; K104-F292 HydrophobicContact CD-CD2 3.94Å; K104-F292 HydrophobicContact CD-CE1 4.09Å; K104-F292 HydrophobicContact CD-CE2 3.83Å; K104-F292 HydrophobicContact CD-CG 4.12Å; K104-F292 HydrophobicContact CD-CZ 3.91Å; K104-F292 VanDerWaalsContact CE-CD1 3.45Å; K104-F292 VanDerWaalsContact CE-CG 3.45Å; K104-F292 HydrophobicContact CG-CD1 4.34Å; K104-F292 HydrophobicContact CG-CE1 3.82Å; K104-F292 HydrophobicContact CG-CE2 4.08Å; K104-F292 HydrophobicContact CG-CZ 3.67Å
105R98.3Very high97.3Very high82 Ų8237.3 Ų37.331%0.30919%0.187SC..Hα-helixtrans-63.6-37.9175.7-76.7178.5162.2-174.7-7.6113.2L101 R102 T103 Q109 F292 F296 E299L101-R105 WeakPolarHBondContact O-CB 3.43Å; L101-R105 WeakPolarHBondContact O-CG 3.46Å; L101-R105 PolarHBondContact O-N 3.33Å; R102-R105 PolarHBondContact O-N 3.01Å; T103-R105 PolarHBondContact O-N 2.72Å; R105-Q109 WeakPolarHBondContact O-CG 3.23Å; R105-Q109 PolarHBondContact O-NE2 2.91Å; R105-F292 HydrophobicContact CG-CE2 3.97Å; R105-F292 HydrophobicContact CG-CZ 3.77Å; R105-F296 HydrophobicContact CB-CE1 3.86Å; R105-F296 HydrophobicContact CB-CE2 4.09Å; R105-F296 HydrophobicContact CB-CZ 3.59Å; R105-F296 HydrophobicContact CG-CD1 4.22Å; R105-F296 HydrophobicContact CG-CD2 3.97Å; R105-F296 HydrophobicContact CG-CE1 3.94Å; R105-F296 HydrophobicContact CG-CE2 3.69Å; R105-F296 HydrophobicContact CG-CG 4.25Å; R105-F296 HydrophobicContact CG-CZ 3.68Å; R105-F296 WeakPolarHBondContact O-CE1 3.37Å; R105-E299 IonicContact CZ-OE1 3.96Å; R105-E299 IonicContact CZ-OE2 3.13Å; R105-E299 IonicContact NE-OE2 2.73Å; R105-E299 IonicContact NH1-OE1 3.5Å; R105-E299 IonicContact NH2-OE1 3.81Å; R105-E299 PolarHBondContact NH2-OE1 3.31Å; R105-E299 IonicContact NH2-OE2 3.56Å; R105-E299 PolarHBondContact NH2-OE2 2.95Å
106T98.5Very high97.4Very high3 Ų335 Ų352%0.01817%0.168CC..Hα-helixtrans-67.8-51.7174-64.90000111.1I87 R102 T103 F108 Q109 V110 I132 V140 M195I87-T106 HydrophobicContact CD1-CG2 3.65Å; I87-T106 HydrophobicContact CG1-CG2 3.99Å; R102-T106 PolarHBondContact O-N 3.22Å; R102-T106 PolarHBondContact O-OG1 3.16Å; R102-T106 VanDerWaalsContact O-OG1 3.14Å; T103-T106 PolarHBondContact O-N 3.05Å; T106-F108 VanDerWaalsContact C-N 3.33Å; T106-F108 PolarHBondContact O-N 2.92Å; T106-Q109 PolarHBondContact O-N 3.07Å; T106-Q109 VanDerWaalsContact O-N 3.1Å; T106-V110 HydrophobicContact CG2-CG2 4.2Å; T106-V110 WeakPolarHBondContact O-CG2 3.43Å; T106-V110 PolarHBondContact O-N 3.01Å; T106-I132 HydrophobicContact CG2-CG2 4.49Å; T106-V140 HydrophobicContact CG2-CG2 4.13Å; T106-M195 HydrophobicContact CG2-CE 3.79Å; T106-M195 HydrophobicContact CG2-SD 3.76Å
107L98.7Very high97.4Very high0 Ų028.7 Ų28.70%013%0.134CC..Hα-helixtrans-59.8-41-178-69.6170000112.2T103 K104 Q109 V110 I111 I188 L191 A192 F263 Y286 F287T103-L107 HydrophobicContact CG2-CD1 3.68Å; T103-L107 HydrophobicContact CG2-CG 4.18Å; T103-L107 WeakPolarHBondContact O-CB 2.99Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.46Å; T103-L107 PolarHBondContact O-N 3.02Å; K104-L107 PolarHBondContact O-N 2.93Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.87Å; L107-V110 PolarHBondContact O-N 3.27Å; L107-I111 HydrophobicContact CB-CD1 4.44Å; L107-I111 WeakPolarHBondContact O-CB 3.33Å; L107-I111 VanDerWaalsContact O-CD1 3.24Å; L107-I111 WeakPolarHBondContact O-CD1 3.21Å; L107-I111 WeakPolarHBondContact O-CG1 3.32Å; L107-I111 PolarHBondContact O-N 3.36Å; L107-I188 HydrophobicContact CD2-CG2 4.25Å; L107-L191 HydrophobicContact CD2-CD2 4.43Å; L107-A192 HydrophobicContact CD1-CB 3.58Å; L107-A192 HydrophobicContact CD2-CB 3.82Å; L107-A192 HydrophobicContact CG-CB 4.35Å; L107-F263 HydrophobicContact CD1-CE1 4.09Å; L107-Y286 HydrophobicContact CD1-CE1 4.2Å; L107-F287 HydrophobicContact CB-CE1 4.46Å; L107-F287 HydrophobicContact CB-CZ 4.1Å
108F98.7Very high97.4Very high13 Ų1328 Ų286%0.05713%0.127CC..Hα-helixtrans-56.4-43.9175.3-173.9-103.2000112.3K104 T106 R112 L282 F287 F292 A293 F296K104-F108 WeakPolarHBondContact O-CB 3.43Å; K104-F108 PolarHBondContact O-N 2.87Å; T106-F108 VanDerWaalsContact C-N 3.33Å; T106-F108 PolarHBondContact O-N 2.92Å; F108-R112 WeakPolarHBondContact O-CG 3.44Å; F108-R112 PolarHBondContact O-N 3.25Å; F108-L282 HydrophobicContact CD2-CD2 3.63Å; F108-L282 HydrophobicContact CE2-CD2 3.76Å; F108-L282 HydrophobicContact CG-CD2 4.35Å; F108-F287 HydrophobicContact CB-CD1 4.04Å; F108-F287 HydrophobicContact CB-CE1 3.8Å; F108-F287 HydrophobicContact CB-CZ 4.35Å; F108-F287 HydrophobicContact CD2-CB 4.06Å; F108-F287 AromaticContact CD2-CD1 3.75Å; F108-F287 HydrophobicContact CD2-CD1 3.75Å; F108-F287 HydrophobicContact CD2-CD2 4.26Å; F108-F287 HydrophobicContact CD2-CE1 4.24Å; F108-F287 AromaticContact CD2-CG 3.77Å; F108-F287 HydrophobicContact CD2-CG 3.77Å; F108-F287 HydrophobicContact CE2-CB 4.28Å; F108-F287 HydrophobicContact CE2-CG 4.44Å; F108-F287 HydrophobicContact CG-CD1 4.36Å; F108-F292 HydrophobicContact CB-CE1 4.33Å; F108-F292 HydrophobicContact CD2-CE1 4.48Å; F108-F292 HydrophobicContact CG-CE1 4.38Å; F108-A293 HydrophobicContact CE2-CB 3.68Å; F108-A293 HydrophobicContact CZ-CB 3.95Å; F108-F296 HydrophobicContact CB-CD1 4.34Å; F108-F296 HydrophobicContact CB-CE1 4.25Å; F108-F296 AromaticContact CD1-CD1 3.54Å; F108-F296 HydrophobicContact CD1-CD1 3.54Å; F108-F296 AromaticContact CD1-CE1 3.79Å; F108-F296 HydrophobicContact CD1-CE1 3.79Å; F108-F296 HydrophobicContact CE1-CD1 4.11Å; F108-F296 HydrophobicContact CG-CD1 4.16Å; F108-F296 HydrophobicContact CG-CE1 4.41Å
109Q98.6Very high97.2Very high1 Ų133 Ų331%0.00515%0.153CC..Hα-helixtrans-71.4-40.7177.8-71.1-178.286.700113.2N62 R105 T106 L107 I111 R112 G113 G138 V140 F296 L300N62-Q109 WeakPolarHBondContact CB-O 3.5Å; N62-Q109 PolarHBondContact ND2-OE1 3.38Å; N62-Q109 VanDerWaalsContact ND2-OE1 3.08Å; R105-Q109 WeakPolarHBondContact O-CG 3.23Å; R105-Q109 PolarHBondContact O-NE2 2.91Å; T106-Q109 PolarHBondContact O-N 3.07Å; T106-Q109 VanDerWaalsContact O-N 3.1Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.87Å; Q109-I111 VanDerWaalsContact C-N 3.33Å; Q109-I111 PolarHBondContact O-N 3.1Å; Q109-R112 PolarHBondContact O-N 3.35Å; Q109-G113 PolarHBondContact O-N 2.95Å; Q109-G138 PolarHBondContact NE2-O 2.97Å; Q109-V140 HydrophobicContact CB-CB 3.79Å; Q109-V140 HydrophobicContact CB-CG1 4.29Å; Q109-V140 HydrophobicContact CB-CG2 4.46Å; Q109-V140 HydrophobicContact CG-CB 4.49Å; Q109-F296 HydrophobicContact CG-CE1 4.11Å; Q109-F296 HydrophobicContact CG-CZ 4.3Å; Q109-L300 HydrophobicContact CG-CD2 3.69Å; Q109-L300 VanDerWaalsContact OE1-CD1 3.32Å
110V98.7Very high97Very high0 Ų033 Ų330%015%0.15CC..Hα-helixtrans-57.4-48.5173.11700000109.9T106 L107 R112 G113 V114 I132 V140 L142 I188 L191T106-V110 HydrophobicContact CG2-CG2 4.2Å; T106-V110 WeakPolarHBondContact O-CG2 3.43Å; T106-V110 PolarHBondContact O-N 3.01Å; L107-V110 PolarHBondContact O-N 3.27Å; V110-R112 PolarHBondContact O-N 3.17Å; V110-G113 PolarHBondContact O-N 3.1Å; V110-G113 VanDerWaalsContact O-N 3.15Å; V110-V114 HydrophobicContact CG1-CG2 4.38Å; V110-V114 WeakPolarHBondContact O-CG2 3.47Å; V110-V114 PolarHBondContact O-N 3.21Å; V110-I132 HydrophobicContact CG2-CD1 4.22Å; V110-I132 HydrophobicContact CG2-CG2 3.74Å; V110-V140 HydrophobicContact CG2-CG1 3.94Å; V110-L142 HydrophobicContact CB-CD2 4.47Å; V110-L142 HydrophobicContact CG1-CD2 4.19Å; V110-L142 HydrophobicContact CG2-CD2 4.22Å; V110-I188 HydrophobicContact CG1-CD1 4.46Å; V110-I188 HydrophobicContact CG1-CG1 4.09Å; V110-L191 HydrophobicContact CG1-CD2 4.35Å; V110-L191 HydrophobicContact CG2-CD2 4.38Å
111I98.7Very high96.7Very high0 Ų033.6 Ų33.60%016%0.155CC..Hα-helixtrans-69.1-35-177.4-58.1155.1000111.2L107 Q109 V114 E115 I188 F263 S278 L281 L282 F287L107-I111 HydrophobicContact CB-CD1 4.44Å; L107-I111 WeakPolarHBondContact O-CB 3.33Å; L107-I111 VanDerWaalsContact O-CD1 3.24Å; L107-I111 WeakPolarHBondContact O-CD1 3.21Å; L107-I111 WeakPolarHBondContact O-CG1 3.32Å; L107-I111 PolarHBondContact O-N 3.36Å; Q109-I111 VanDerWaalsContact C-N 3.33Å; Q109-I111 PolarHBondContact O-N 3.1Å; I111-V114 PolarHBondContact O-N 3.22Å; I111-E115 VanDerWaalsContact O-CB 3.29Å; I111-E115 WeakPolarHBondContact O-CB 3.2Å; I111-E115 PolarHBondContact O-N 2.91Å; I111-I188 HydrophobicContact CD1-CG2 4.26Å; I111-I188 HydrophobicContact CG1-CD1 3.94Å; I111-I188 HydrophobicContact CG1-CG2 4.06Å; I111-F263 HydrophobicContact CD1-CE2 4.13Å; I111-F263 HydrophobicContact CD1-CZ 3.82Å; I111-S278 WeakPolarHBondContact CG2-O 3.36Å; I111-L281 HydrophobicContact CD1-CB 4.33Å; I111-L281 HydrophobicContact CD1-CD1 4.2Å; I111-L281 HydrophobicContact CG1-CD1 4.37Å; I111-L281 HydrophobicContact CG2-CB 4.07Å; I111-L281 HydrophobicContact CG2-CD1 4.39Å; I111-L282 HydrophobicContact CB-CD2 3.98Å; I111-L282 HydrophobicContact CB-CG 4.28Å; I111-L282 HydrophobicContact CG2-CD1 4.18Å; I111-L282 HydrophobicContact CG2-CD2 3.93Å; I111-L282 HydrophobicContact CG2-CG 3.67Å; I111-F287 HydrophobicContact CD1-CE2 3.54Å; I111-F287 HydrophobicContact CD1-CZ 3.63Å
112R98.2Very high96.3Very high36 Ų3629.5 Ų29.514%0.13613%0.133CC..Hα-helixtrans-58.5-44.6168.7-81-173.360.6-152.2-9.7112.2H60 D61 N62 F108 Q109 V110 E115 F116 L282 L300H60-R112 PolarHBondContact NE2-NH2 2.67Å; D61-R112 IonicContact OD2-CZ 3.42Å; D61-R112 IonicContact OD2-NH1 3.53Å; D61-R112 IonicContact OD2-NH2 3.49Å; D61-R112 PolarHBondContact OD2-NH2 2.95Å; N62-R112 PolarHBondContact OD1-NH1 2.71Å; F108-R112 WeakPolarHBondContact O-CG 3.44Å; F108-R112 PolarHBondContact O-N 3.25Å; Q109-R112 PolarHBondContact O-N 3.35Å; V110-R112 PolarHBondContact O-N 3.17Å; R112-E115 PolarHBondContact O-N 3.4Å; R112-F116 PolarHBondContact O-N 2.86Å; R112-L282 HydrophobicContact CG-CD1 4.16Å; R112-L282 HydrophobicContact CG-CD2 4.26Å; R112-L300 VanDerWaalsContact NH1-CD2 3.35Å
113G97.5Very high96Very high0 Ų025.4 Ų25.40%012%0.119CC..Hα-helixtrans-62.5-43.1175.500000112.7Q109 V110 F116 C117Q109-G113 PolarHBondContact O-N 2.95Å; V110-G113 PolarHBondContact O-N 3.1Å; V110-G113 VanDerWaalsContact O-N 3.15Å; G113-F116 PolarHBondContact O-N 2.68Å; G113-C117 PolarHBondContact O-N 2.87Å; G113-C117 VanDerWaalsContact O-N 3.14Å; G113-C117 PolarHBondContact O-SG 3.16Å; G113-C117 VanDerWaalsContact O-SG 3.41Å
114V97.4Very high95.6Very high0 Ų025.4 Ų25.40%012%0.119CC..Hα-helixtrans-68.2-39.9177.61740000112V110 I111 C117 H118 I127 L142 D184 I188V110-V114 HydrophobicContact CG1-CG2 4.38Å; V110-V114 WeakPolarHBondContact O-CG2 3.47Å; V110-V114 PolarHBondContact O-N 3.21Å; I111-V114 PolarHBondContact O-N 3.22Å; V114-C117 PolarHBondContact O-N 2.99Å; V114-H118 VanDerWaalsContact CG1-CE1 3.44Å; V114-H118 WeakPolarHBondContact CG1-CE1 3.48Å; V114-H118 WeakPolarHBondContact CG1-NE2 3.42Å; V114-H118 WeakPolarHBondContact O-CB 3.42Å; V114-H118 PolarHBondContact O-CD2 3.18Å; V114-H118 VanDerWaalsContact O-CD2 3.26Å; V114-H118 VanDerWaalsContact O-CG 3.24Å; V114-H118 PolarHBondContact O-N 3.25Å; V114-I127 HydrophobicContact CG2-CD1 3.48Å; V114-I127 VanDerWaalsContact CG2-CD1 3.48Å; V114-L142 HydrophobicContact CG2-CD1 3.88Å; V114-D184 HydrophobicContact CG1-CB 3.93Å; V114-I188 HydrophobicContact CB-CD1 4.34Å; V114-I188 HydrophobicContact CG1-CD1 4.26Å; V114-I188 HydrophobicContact CG2-CD1 4.08Å
115E97.9Very high95.2Very high47 Ų4726 Ų2622%0.2212%0.12CC..Hα-helixtrans-57.5-49.7172.9178.4174.6-121.600111.2I111 R112 C117 H118 L119 S278 S279 L282I111-E115 VanDerWaalsContact O-CB 3.29Å; I111-E115 WeakPolarHBondContact O-CB 3.2Å; I111-E115 PolarHBondContact O-N 2.91Å; R112-E115 PolarHBondContact O-N 3.4Å; E115-C117 VanDerWaalsContact C-N 3.32Å; E115-C117 PolarHBondContact O-N 3.29Å; E115-H118 PolarHBondContact O-N 2.66Å; E115-H118 VanDerWaalsContact O-N 3.1Å; E115-L119 HydrophobicContact CG-CD1 3.93Å; E115-L119 HydrophobicContact CG-CG 4.3Å; E115-L119 WeakPolarHBondContact O-CG 3.49Å; E115-L119 PolarHBondContact O-N 2.8Å; E115-S278 WeakPolarHBondContact CA-OG 3.39Å; E115-S279 WeakPolarHBondContact OE1-CA 3.29Å; E115-S279 WeakPolarHBondContact OE1-CB 3.39Å; E115-S279 PolarHBondContact OE1-OG 3.03Å; E115-L282 HydrophobicContact CB-CD1 4.36Å; E115-L282 WeakPolarHBondContact OE2-CD1 3.42Å
116F96.2Very high94.8Very high40 Ų4022.4 Ų22.418%0.17511%0.107CC..Hα-helixtrans-57.8-44.2177.9-177.8-88.9000111.8L58 R59 H60 L63 R112 G113 H120L58-F116 HydrophobicContact CB-CE1 4.41Å; L58-F116 HydrophobicContact CD2-CD1 3.93Å; L58-F116 HydrophobicContact CD2-CE1 3.64Å; R59-F116 WeakPolarHBondContact O-CZ 3.45Å; H60-F116 HydrophobicContact CB-CB 4.31Å; H60-F116 HydrophobicContact CB-CD1 3.71Å; H60-F116 HydrophobicContact CB-CD2 3.74Å; H60-F116 HydrophobicContact CB-CE1 3.85Å; H60-F116 HydrophobicContact CB-CE2 3.89Å; H60-F116 HydrophobicContact CB-CG 3.64Å; H60-F116 HydrophobicContact CB-CZ 3.94Å; H60-F116 AromaticContact CD2-CD2 3.87Å; H60-F116 AromaticContact CG-CD2 3.92Å; H60-F116 AromaticContact CG-CG 3.82Å; L63-F116 HydrophobicContact CD1-CD1 3.74Å; L63-F116 HydrophobicContact CD1-CE1 4.03Å; R112-F116 PolarHBondContact O-N 2.86Å; G113-F116 PolarHBondContact O-N 2.68Å; F116-H120 AromaticContact CD1-ND1 3.93Å; F116-H120 AromaticContact CD2-CE1 3.99Å; F116-H120 AromaticContact CE1-CE1 3.75Å; F116-H120 AromaticContact CE1-ND1 3.78Å; F116-H120 AromaticContact CE2-CE1 3.48Å; F116-H120 VanDerWaalsContact CE2-CE1 3.48Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.35Å; F116-H120 AromaticContact CZ-CE1 3.35Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.49Å; F116-H120 AromaticContact CZ-ND1 3.86Å; F116-H120 PolarHBondContact O-N 3.23Å; F116-H120 PolarHBondContact O-ND1 3.1Å
117C94.1Very high94.7Very high1 Ų122.3 Ų22.31%0.00711%0.106CC..Hα-helixtrans-61.2-46.7173.1-69.30000112.2G113 V114 E115 L119 H120 N121 I122G113-C117 PolarHBondContact O-N 2.87Å; G113-C117 VanDerWaalsContact O-N 3.14Å; G113-C117 PolarHBondContact O-SG 3.16Å; G113-C117 VanDerWaalsContact O-SG 3.41Å; V114-C117 PolarHBondContact O-N 2.99Å; E115-C117 VanDerWaalsContact C-N 3.32Å; E115-C117 PolarHBondContact O-N 3.29Å; C117-L119 PolarHBondContact O-N 3.2Å; C117-H120 CarbonylContact O-C 3.52Å; C117-H120 WeakPolarHBondContact O-CA 3.48Å; C117-H120 PolarHBondContact O-N 3.04Å; C117-H120 VanDerWaalsContact O-N 3.09Å; C117-N121 PolarHBondContact O-N 3.03Å; C117-I122 CarbonylContact C-O 3.56Å; C117-I122 HydrophobicContact CB-CB 4.38Å; C117-I122 HydrophobicContact CB-CG2 4.37Å; C117-I122 WeakPolarHBondContact O-CA 3.48Å; C117-I122 PolarHBondContact O-N 3.3Å; C117-I122 VanDerWaalsContact O-O 3.11Å
118H94.9Very high94.4Very high4 Ų423 Ų232%0.01911%0.11CC..Hα-helixtrans-62.9-38.9-178.3-76.7-167.2000112.4V114 E115 H120 N121 I122 R181 D184 S278V114-H118 VanDerWaalsContact CG1-CE1 3.44Å; V114-H118 WeakPolarHBondContact CG1-CE1 3.48Å; V114-H118 WeakPolarHBondContact CG1-NE2 3.42Å; V114-H118 WeakPolarHBondContact O-CB 3.42Å; V114-H118 PolarHBondContact O-CD2 3.18Å; V114-H118 VanDerWaalsContact O-CD2 3.26Å; V114-H118 VanDerWaalsContact O-CG 3.24Å; V114-H118 PolarHBondContact O-N 3.25Å; E115-H118 PolarHBondContact O-N 2.66Å; E115-H118 VanDerWaalsContact O-N 3.1Å; H118-H120 VanDerWaalsContact C-N 3.3Å; H118-H120 PolarHBondContact O-N 3.36Å; H118-N121 WeakPolarHBondContact O-CA 3.27Å; H118-N121 PolarHBondContact O-N 2.92Å; H118-I122 PolarHBondContact CD2-O 2.76Å; H118-I122 PolarHBondContact N-O 3.05Å; H118-R181 HydrophobicContact CB-CG 4.39Å; H118-R181 PolarHBondContact CE1-O 3.45Å; H118-R181 VanDerWaalsContact CE1-O 3.29Å; H118-R181 PolarHBondContact O-NE 3.13Å; H118-R181 PolarHBondContact O-NH2 3.1Å; H118-D184 IonicContact CD2-OD2 3.58Å; H118-D184 IonicContact CE1-OD2 3.81Å; H118-D184 IonicContact NE2-OD2 2.85Å; H118-D184 PolarHBondContact NE2-OD2 2.76Å; H118-S278 PolarHBondContact ND1-OG 3.22Å
119L93.8Very high94.3Very high112 Ų11222.6 Ų22.659%0.58611%0.108SC*.Hα-helixtrans-62.5-36.7173.6-70.9170.7000111.9E115 C117 N121E115-L119 HydrophobicContact CG-CD1 3.93Å; E115-L119 HydrophobicContact CG-CG 4.3Å; E115-L119 WeakPolarHBondContact O-CG 3.49Å; E115-L119 PolarHBondContact O-N 2.8Å; C117-L119 PolarHBondContact O-N 3.2Å; L119-N121 PolarHBondContact O-N 3.25Å
120H90.7Very high93.9Very high88 Ų8827.2 Ų27.241%0.40713%0.13SC..THydrogen-bonded Turntrans-79.413.9172.3-67.685.2000113.6L58 F116 C117 H118 I122L58-H120 HydrophobicContact CD2-CB 4.36Å; F116-H120 AromaticContact CD1-ND1 3.93Å; F116-H120 AromaticContact CD2-CE1 3.99Å; F116-H120 AromaticContact CE1-CE1 3.75Å; F116-H120 AromaticContact CE1-ND1 3.78Å; F116-H120 AromaticContact CE2-CE1 3.48Å; F116-H120 VanDerWaalsContact CE2-CE1 3.48Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.35Å; F116-H120 AromaticContact CZ-CE1 3.35Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.49Å; F116-H120 AromaticContact CZ-ND1 3.86Å; F116-H120 PolarHBondContact O-N 3.23Å; F116-H120 PolarHBondContact O-ND1 3.1Å; C117-H120 CarbonylContact O-C 3.52Å; C117-H120 WeakPolarHBondContact O-CA 3.48Å; C117-H120 PolarHBondContact O-N 3.04Å; C117-H120 VanDerWaalsContact O-N 3.09Å; H118-H120 VanDerWaalsContact C-N 3.3Å; H118-H120 PolarHBondContact O-N 3.36Å; H120-I122 HydrophobicContact CB-CD1 4.37Å; H120-I122 PolarHBondContact O-N 3.02Å
121N89.8Confident93.7Very high75 Ų7527.6 Ų27.640%0.40113%0.132SC..THydrogen-bonded Turntrans57.825-175.4-70.4-53.2000115C117 H118 L119 T150 L151 R181C117-N121 PolarHBondContact O-N 3.03Å; H118-N121 WeakPolarHBondContact O-CA 3.27Å; H118-N121 PolarHBondContact O-N 2.92Å; L119-N121 PolarHBondContact O-N 3.25Å; N121-T150 HydrophobicContact CB-CG2 4.5Å; N121-T150 CarbonylContact O-C 3.59Å; N121-T150 VanDerWaalsContact O-CA 3.31Å; N121-T150 WeakPolarHBondContact O-CA 3.33Å; N121-L151 HydrophobicContact CB-CD1 4.28Å; N121-L151 WeakPolarHBondContact O-CG 3.49Å; N121-L151 PolarHBondContact O-N 3.29Å; N121-R181 PolarHBondContact OD1-NH2 3.24Å
122I88.9Confident93.6Very high6 Ų627.6 Ų27.63%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-104.3129.8179.4-68170.1000109.9M54 L58 C117 H118 H120 A148 R149M54-I122 HydrophobicContact CE-CB 4.21Å; M54-I122 HydrophobicContact CE-CD1 3.71Å; M54-I122 HydrophobicContact CE-CG1 3.64Å; M54-I122 HydrophobicContact CE-CG2 3.56Å; M54-I122 HydrophobicContact CG-CD1 4.48Å; L58-I122 HydrophobicContact CD1-CD1 4.01Å; L58-I122 HydrophobicContact CD2-CD1 4.03Å; L58-I122 HydrophobicContact CG-CD1 4.11Å; C117-I122 CarbonylContact C-O 3.56Å; C117-I122 HydrophobicContact CB-CB 4.38Å; C117-I122 HydrophobicContact CB-CG2 4.37Å; C117-I122 WeakPolarHBondContact O-CA 3.48Å; C117-I122 PolarHBondContact O-N 3.3Å; C117-I122 VanDerWaalsContact O-O 3.11Å; H118-I122 PolarHBondContact CD2-O 2.76Å; H118-I122 PolarHBondContact N-O 3.05Å; H120-I122 HydrophobicContact CB-CD1 4.37Å; H120-I122 PolarHBondContact O-N 3.02Å; I122-A148 HydrophobicContact CG2-CB 4.06Å; I122-R149 WeakPolarHBondContact CA-O 3.38Å
123V90.5Very high93.6Very high4 Ų427.2 Ų27.22%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-102.2134.6170.9-167.30000108.5R125 A148 R149 L151 R181 I183 D184V123-R125 HydrophobicContact CG1-CG 4.39Å; V123-A148 VanDerWaalsContact O-CA 3.3Å; V123-A148 WeakPolarHBondContact O-CA 3.44Å; V123-R149 PolarHBondContact N-O 3.37Å; V123-R149 PolarHBondContact O-N 3.48Å; V123-L151 HydrophobicContact CG2-CD1 4.32Å; V123-L151 HydrophobicContact CG2-CD2 3.45Å; V123-L151 VanDerWaalsContact CG2-CD2 3.45Å; V123-L151 HydrophobicContact CG2-CG 3.8Å; V123-R181 HydrophobicContact CG2-CG 4.4Å; V123-I183 HydrophobicContact CG1-CD1 3.65Å; V123-I183 HydrophobicContact CG1-CG1 3.67Å; V123-D184 VanDerWaalsContact CG1-OD2 3.25Å; V123-D184 WeakPolarHBondContact CG1-OD2 3.27Å
124H90.3Very high93.6Very high0 Ų027.4 Ų27.40%013%0.133CC..  trans-77.9-37.6-173.2-168.1-32000112.7D126 I127 C143 D184H124-D126 PolarHBondContact O-N 2.91Å; H124-I127 HydrophobicContact CB-CD1 4.37Å; H124-I127 HydrophobicContact CB-CG1 4.15Å; H124-C143 PolarHBondContact CE1-O 2.9Å; H124-C143 PolarHBondContact NE2-O 3.34Å; H124-D184 PolarHBondContact N-OD1 2.84Å; H124-D184 PolarHBondContact N-OD2 3.14Å
125R89.9Confident93.4Very high33 Ų3328.2 Ų28.213%0.12514%0.139CC..  trans65.3-18178.7-76.4175.544134.56.1117.8V123 F147 Y161 Y179 I183 D184V123-R125 HydrophobicContact CG1-CG 4.39Å; R125-F147 HydrophobicContact CB-CB 4.33Å; R125-F147 VanDerWaalsContact CD-O 3.26Å; R125-F147 WeakPolarHBondContact CD-O 3.27Å; R125-F147 PolarHBondContact NE-O 3.14Å; R125-Y161 VanDerWaalsContact NH2-CD2 3.29Å; R125-Y161 VanDerWaalsContact NH2-CE2 3.31Å; R125-Y161 PolarHBondContact O-OH 2.82Å; R125-Y179 PolarHBondContact NH1-OH 3.4Å; R125-I183 HydrophobicContact CB-CD1 4.44Å; R125-I183 HydrophobicContact CG-CD1 3.55Å; R125-D184 PolarHBondContact N-OD1 3.47Å
126D89.5Confident93.2Very high7 Ų735 Ų354%0.03716%0.163CC..  trans-129.541.4-173.3-15044.3000113.4H124 K128 N131 F147 Y161H124-D126 PolarHBondContact O-N 2.91Å; D126-K128 PolarHBondContact O-N 3.23Å; D126-K128 IonicContact OD1-NZ 2.66Å; D126-K128 WeakPolarHBondContact OD2-CE 3.44Å; D126-K128 IonicContact OD2-NZ 2.86Å; D126-K128 PolarHBondContact OD2-NZ 3.3Å; D126-N131 PolarHBondContact O-ND2 3.48Å; D126-N131 PolarHBondContact OD2-ND2 2.88Å; D126-F147 HydrophobicContact CB-CD2 3.93Å; D126-Y161 WeakPolarHBondContact CB-OH 3.36Å; D126-Y161 PolarHBondContact OD1-OH 3.35Å
127I95Very high93Very high1 Ų136.4 Ų36.41%0.00517%0.172CC..  trans-73.7111.3175-64174.6000108.9V114 H124 I132 Y167 D184 A187 I188 L191V114-I127 HydrophobicContact CG2-CD1 3.48Å; V114-I127 VanDerWaalsContact CG2-CD1 3.48Å; H124-I127 HydrophobicContact CB-CD1 4.37Å; H124-I127 HydrophobicContact CB-CG1 4.15Å; I127-I132 HydrophobicContact CG2-CD1 4.31Å; I127-Y167 WeakPolarHBondContact O-CB 3.45Å; I127-D184 HydrophobicContact CD1-CB 3.61Å; I127-A187 HydrophobicContact CB-CB 3.75Å; I127-A187 HydrophobicContact CG2-CB 4.05Å; I127-I188 HydrophobicContact CD1-CD1 4.45Å; I127-I188 HydrophobicContact CD1-CG1 4.25Å; I127-I188 HydrophobicContact CG2-CG1 4.38Å; I127-L191 HydrophobicContact CG2-CD2 4.23Å
128K93.9Very high93Very high15 Ų1537.6 Ų37.67%0.06519%0.185CC..SBendtrans-157154-178.768.8-164.8-172.3-161.60108.6D126 E130 N131 I132 Y167D126-K128 PolarHBondContact O-N 3.23Å; D126-K128 IonicContact OD1-NZ 2.66Å; D126-K128 WeakPolarHBondContact OD2-CE 3.44Å; D126-K128 IonicContact OD2-NZ 2.86Å; D126-K128 PolarHBondContact OD2-NZ 3.3Å; K128-E130 WeakPolarHBondContact CE-OE2 3.03Å; K128-E130 HydrophobicContact CG-CB 4.23Å; K128-E130 IonicContact NZ-OE2 3.23Å; K128-E130 PolarHBondContact NZ-OE2 2.9Å; K128-E130 PolarHBondContact O-N 3.33Å; K128-N131 VanDerWaalsContact CE-CG 3.4Å; K128-N131 WeakPolarHBondContact CE-ND2 3.21Å; K128-N131 VanDerWaalsContact CE-OD1 3.25Å; K128-N131 WeakPolarHBondContact CE-OD1 3.44Å; K128-N131 HydrophobicContact CG-CB 4.2Å; K128-N131 PolarHBondContact O-N 3.15Å; K128-I132 WeakPolarHBondContact O-CG1 3.42Å; K128-Y167 HydrophobicContact CB-CD1 4.47Å; K128-Y167 HydrophobicContact CB-CD2 3.56Å; K128-Y167 HydrophobicContact CB-CE1 4.41Å; K128-Y167 HydrophobicContact CB-CE2 3.51Å; K128-Y167 HydrophobicContact CB-CG 4.09Å
129P95.2Very high93.1Very high4 Ų437.5 Ų37.53%0.02618%0.184CC..G310 helixtrans-51.6-34.4-173.3-28.834000116.1I87 L88 L91 N131 I132 Y167 L191 E194I87-P129 HydrophobicContact CB-CB 4.31Å; I87-P129 HydrophobicContact CG2-CB 4.22Å; I87-P129 PolarHBondContact N-O 2.76Å; L88-P129 HydrophobicContact CB-CB 3.99Å; L88-P129 PolarHBondContact N-O 3.21Å; L91-P129 HydrophobicContact CD1-CB 3.85Å; L91-P129 HydrophobicContact CD1-CG 3.78Å; P129-N131 VanDerWaalsContact C-N 3.34Å; P129-N131 PolarHBondContact O-N 2.77Å; P129-I132 PolarHBondContact O-N 3.5Å; P129-Y167 VanDerWaalsContact CD-OH 3.26Å; P129-Y167 WeakPolarHBondContact CD-OH 3.3Å; P129-L191 HydrophobicContact CB-CD1 4.43Å; P129-L191 HydrophobicContact CG-CD1 3.83Å; P129-E194 WeakPolarHBondContact CG-OE2 3.25Å
130E91.3Very high93.3Very high99 Ų9932.1 Ų32.146%0.46316%0.156SC..G310 helixtrans-62.7-33.1176-180-179.5-149.300113.3T86 L88 K128T86-E130 WeakPolarHBondContact CG2-O 3.08Å; L88-E130 HydrophobicContact CD2-CB 4.3Å; K128-E130 WeakPolarHBondContact CE-OE2 3.03Å; K128-E130 HydrophobicContact CG-CB 4.23Å; K128-E130 IonicContact NZ-OE2 3.23Å; K128-E130 PolarHBondContact NZ-OE2 2.9Å; K128-E130 PolarHBondContact O-N 3.33Å
131N94.1Very high93.6Very high8 Ų828.7 Ų28.74%0.04314%0.14CC..G310 helixtrans-922.5179.5-72.6-3000113.6D126 K128 P129 C143D126-N131 PolarHBondContact O-ND2 3.48Å; D126-N131 PolarHBondContact OD2-ND2 2.88Å; K128-N131 VanDerWaalsContact CE-CG 3.4Å; K128-N131 WeakPolarHBondContact CE-ND2 3.21Å; K128-N131 VanDerWaalsContact CE-OD1 3.25Å; K128-N131 WeakPolarHBondContact CE-OD1 3.44Å; K128-N131 HydrophobicContact CG-CB 4.2Å; K128-N131 PolarHBondContact O-N 3.15Å; P129-N131 VanDerWaalsContact C-N 3.34Å; P129-N131 PolarHBondContact O-N 2.77Å; N131-C143 PolarHBondContact O-N 2.82Å; N131-C143 VanDerWaalsContact O-N 3.07Å; N131-C143 PolarHBondContact O-SG 2.89Å; N131-C143 VanDerWaalsContact O-SG 3.42Å
132I96.9Very high93.9Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-102.592.3175.7-44.5-56.5000107.7T86 I87 T106 V110 I127 K128 P129 V140 L142 L191T86-I132 CarbonylContact C-O 3.17Å; T86-I132 VanDerWaalsContact CA-O 3.25Å; T86-I132 WeakPolarHBondContact CA-O 3.26Å; I87-I132 HydrophobicContact CB-CB 4.13Å; I87-I132 HydrophobicContact CB-CG2 4.46Å; I87-I132 HydrophobicContact CG1-CB 3.67Å; I87-I132 HydrophobicContact CG1-CG2 3.49Å; I87-I132 VanDerWaalsContact CG1-CG2 3.49Å; I87-I132 PolarHBondContact N-O 2.86Å; T106-I132 HydrophobicContact CG2-CG2 4.49Å; V110-I132 HydrophobicContact CG2-CD1 4.22Å; V110-I132 HydrophobicContact CG2-CG2 3.74Å; I127-I132 HydrophobicContact CG2-CD1 4.31Å; K128-I132 WeakPolarHBondContact O-CG1 3.42Å; P129-I132 PolarHBondContact O-N 3.5Å; I132-V140 HydrophobicContact CG2-CG1 3.44Å; I132-V140 VanDerWaalsContact CG2-CG1 3.44Å; I132-L142 HydrophobicContact CD1-CD2 3.41Å; I132-L142 VanDerWaalsContact CD1-CD2 3.41Å; I132-L191 HydrophobicContact CD1-CD2 4.33Å; I132-L191 HydrophobicContact CG1-CD2 4.07Å
133L97.3Very high94Very high27 Ų2725.8 Ų25.814%0.14113%0.126CC..EExtended strand (participates in β ladder)trans-71.8144.3176-47.7-178.4000109.8V64 V83 N85 T86 V140 K141 C143V64-L133 HydrophobicContact CB-CD1 4.23Å; V64-L133 HydrophobicContact CG2-CD1 4.01Å; V83-L133 HydrophobicContact CB-CB 3.91Å; V83-L133 HydrophobicContact CB-CD1 4.1Å; V83-L133 HydrophobicContact CG1-CB 3.83Å; V83-L133 HydrophobicContact CG2-CB 4.2Å; V83-L133 HydrophobicContact CG2-CD1 3.94Å; N85-L133 CarbonylContact O-C 3.59Å; N85-L133 WeakPolarHBondContact O-CA 3.39Å; T86-L133 HydrophobicContact CG2-CD2 3.92Å; L133-V140 CarbonylContact O-C 3.59Å; L133-V140 VanDerWaalsContact O-CA 3.29Å; L133-V140 WeakPolarHBondContact O-CA 3.41Å; L133-K141 WeakPolarHBondContact CA-O 3.32Å; L133-K141 HydrophobicContact CB-CB 4.26Å; L133-K141 VanDerWaalsContact CB-O 3.27Å; L133-K141 WeakPolarHBondContact CB-O 3.48Å; L133-K141 WeakPolarHBondContact CG-O 3.43Å; L133-K141 PolarHBondContact N-O 2.81Å; L133-K141 PolarHBondContact O-N 3.42Å; L133-C143 HydrophobicContact CD1-CB 3.92Å; L133-C143 HydrophobicContact CG-CB 4.08Å
134I97Very high93.5Very high4 Ų427.6 Ų27.62%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-137.5129.8176.7-168.9167.6000111.7V83 N85 I87 V140V83-I134 WeakPolarHBondContact CG1-O 3.47Å; N85-I134 HydrophobicContact CB-CG2 3.92Å; N85-I134 PolarHBondContact N-O 2.96Å; N85-I134 PolarHBondContact O-N 2.81Å; I87-I134 HydrophobicContact CD1-CB 4.2Å; I87-I134 HydrophobicContact CD1-CD1 3.84Å; I87-I134 HydrophobicContact CD1-CG2 4.18Å; I134-V140 HydrophobicContact CB-CG2 4.28Å; I134-V140 HydrophobicContact CD1-CG2 3.92Å; I134-V140 HydrophobicContact CG1-CG2 3.91Å
135S95.2Very high92.8Very high17 Ų1727.7 Ų27.712%0.11914%0.136CC..  trans-76.1167.7176.782.10000112.1N137 G138 V139 E307S135-N137 PolarHBondContact O-N 3.29Å; S135-N137 PolarHBondContact OG-N 3.39Å; S135-N137 VanDerWaalsContact OG-N 3.13Å; S135-G138 PolarHBondContact O-N 3.26Å; S135-G138 PolarHBondContact OG-N 3.4Å; S135-V139 PolarHBondContact N-O 3.07Å; S135-V139 PolarHBondContact OG-N 3.15Å; S135-E307 WeakPolarHBondContact CB-OE1 3.36Å; S135-E307 PolarHBondContact OG-OE1 2.91Å
136R91.9Very high91.5Very high191 Ų19126.4 Ų26.472%0.72113%0.133SC*.THydrogen-bonded Turntrans-60-24.2172.1-55.9179.1-161-154.8-4.1113.2D84D84-R136 HydrophobicContact CB-CG 4.35Å; D84-R136 VanDerWaalsContact CG-NE 3.26Å; D84-R136 IonicContact OD1-CZ 2.7Å; D84-R136 IonicContact OD1-NE 2.67Å; D84-R136 IonicContact OD1-NH2 3.79Å; D84-R136 PolarHBondContact OD1-NH2 2.8Å; D84-R136 WeakPolarHBondContact OD2-CG 3.15Å; D84-R136 IonicContact OD2-CZ 2.68Å; D84-R136 IonicContact OD2-NE 2.86Å; D84-R136 PolarHBondContact OD2-NE 3.41Å; D84-R136 IonicContact OD2-NH2 2.66Å; D84-R136 PolarHBondContact OD2-NH2 2.57Å
137N92Very high90.1Very high68 Ų6826.9 Ų26.936%0.36413%0.134SC..THydrogen-bonded Turntrans-94.11.6179.7-55.1-18.9000112.4S135 L303 E307S135-N137 PolarHBondContact O-N 3.29Å; S135-N137 PolarHBondContact OG-N 3.39Å; S135-N137 VanDerWaalsContact OG-N 3.13Å; N137-L303 HydrophobicContact CB-CD2 4.35Å; N137-E307 WeakPolarHBondContact CB-OE1 3.35Å; N137-E307 WeakPolarHBondContact ND2-CG 3.34Å
138G94.8Very high88.2Confident27 Ų2726.8 Ų26.828%0.27813%0.134SC..  trans82.813.2-179.600000115.4Q109 S135Q109-G138 PolarHBondContact NE2-O 2.97Å; S135-G138 PolarHBondContact O-N 3.26Å; S135-G138 PolarHBondContact OG-N 3.4Å
139V97.1Very high86.6Confident1 Ų127.5 Ų27.51%0.00614%0.136CC..  trans-76.2124.4170.9-179.10000108.7S135 L300 L303 I304 E307S135-V139 PolarHBondContact N-O 3.07Å; S135-V139 PolarHBondContact OG-N 3.15Å; V139-L300 HydrophobicContact CG2-CD1 4.07Å; V139-L303 HydrophobicContact CG2-CB 3.82Å; V139-I304 HydrophobicContact CG1-CG1 4.03Å; V139-I304 HydrophobicContact CG2-CG1 4.13Å; V139-E307 WeakPolarHBondContact CB-OE1 3.26Å; V139-E307 WeakPolarHBondContact CG2-OE1 2.86Å
140V97.9Very high85Confident0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-102.7137.1-173.9168.20000111N62 T106 Q109 V110 I132 L133 I134N62-V140 WeakPolarHBondContact CA-O 3.5Å; N62-V140 WeakPolarHBondContact CB-O 3.46Å; N62-V140 PolarHBondContact ND2-O 3.41Å; T106-V140 HydrophobicContact CG2-CG2 4.13Å; Q109-V140 HydrophobicContact CB-CB 3.79Å; Q109-V140 HydrophobicContact CB-CG1 4.29Å; Q109-V140 HydrophobicContact CB-CG2 4.46Å; Q109-V140 HydrophobicContact CG-CB 4.49Å; V110-V140 HydrophobicContact CG2-CG1 3.94Å; I132-V140 HydrophobicContact CG2-CG1 3.44Å; I132-V140 VanDerWaalsContact CG2-CG1 3.44Å; L133-V140 CarbonylContact O-C 3.59Å; L133-V140 VanDerWaalsContact O-CA 3.29Å; L133-V140 WeakPolarHBondContact O-CA 3.41Å; I134-V140 HydrophobicContact CB-CG2 4.28Å; I134-V140 HydrophobicContact CD1-CG2 3.92Å; I134-V140 HydrophobicContact CG1-CG2 3.91Å
141K97.2Very high83.5Confident15 Ų1529.4 Ų29.47%0.06515%0.153CC..EExtended strand (participates in β ladder)trans-134.9122.8-177.7-74.1170.2172.7-69.10111.7D61 N62 L63 E81 V83 L133D61-K141 PolarHBondContact O-NZ 3.46Å; N62-K141 WeakPolarHBondContact O-CA 3.44Å; L63-K141 PolarHBondContact O-NZ 2.92Å; E81-K141 WeakPolarHBondContact OE1-CD 3.19Å; E81-K141 VanDerWaalsContact OE1-CE 3.24Å; E81-K141 WeakPolarHBondContact OE1-CE 3.44Å; E81-K141 IonicContact OE1-NZ 3.39Å; E81-K141 PolarHBondContact OE1-NZ 3.38Å; E81-K141 IonicContact OE2-NZ 3.51Å; V83-K141 HydrophobicContact CG2-CD 3.89Å; L133-K141 WeakPolarHBondContact CA-O 3.32Å; L133-K141 HydrophobicContact CB-CB 4.26Å; L133-K141 VanDerWaalsContact CB-O 3.27Å; L133-K141 WeakPolarHBondContact CB-O 3.48Å; L133-K141 WeakPolarHBondContact CG-O 3.43Å; L133-K141 PolarHBondContact N-O 2.81Å; L133-K141 PolarHBondContact O-N 3.42Å
142L96Very high81.3Confident0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-75140.5174.6-52.8-179.3000111.2N62 L63 V64 V110 V114 I132 F145N62-L142 PolarHBondContact O-N 2.71Å; L63-L142 HydrophobicContact CD2-CB 3.98Å; L63-L142 HydrophobicContact CD2-CD1 3.92Å; L63-L142 HydrophobicContact CD2-CG 4.18Å; V64-L142 WeakPolarHBondContact CG1-O 3.07Å; V64-L142 PolarHBondContact N-O 2.98Å; V110-L142 HydrophobicContact CB-CD2 4.47Å; V110-L142 HydrophobicContact CG1-CD2 4.19Å; V110-L142 HydrophobicContact CG2-CD2 4.22Å; V114-L142 HydrophobicContact CG2-CD1 3.88Å; I132-L142 HydrophobicContact CD1-CD2 3.41Å; I132-L142 VanDerWaalsContact CD1-CD2 3.41Å; L142-F145 HydrophobicContact CB-CZ 4.42Å
143C91.5Very high78.5Confident20 Ų2036 Ų3614%0.13521%0.209CC..  trans-136.8177.2178.472.30000114.3V64 H124 N131 L133V64-C143 HydrophobicContact CB-CB 4.21Å; V64-C143 HydrophobicContact CG1-CB 3.63Å; H124-C143 PolarHBondContact CE1-O 2.9Å; H124-C143 PolarHBondContact NE2-O 3.34Å; N131-C143 PolarHBondContact O-N 2.82Å; N131-C143 VanDerWaalsContact O-N 3.07Å; N131-C143 PolarHBondContact O-SG 2.89Å; N131-C143 VanDerWaalsContact O-SG 3.42Å; L133-C143 HydrophobicContact CD1-CB 3.92Å; L133-C143 HydrophobicContact CG-CB 4.08Å
144D80.5Confident75.9Confident43 Ų4341.2 Ų41.223%0.2324%0.244CC..  trans58.366.2-177.8-155.231000116.7K33 G146K33-D144 IonicContact NZ-OD1 2.71Å; K33-D144 PolarHBondContact NZ-OD1 3.31Å; D144-G146 PolarHBondContact O-N 3.18Å; D144-G146 VanDerWaalsContact O-N 3.14Å
145F74.7Confident73.3Confident2 Ų244.5 Ų44.51%0.00928%0.279CS..G310 helixtrans-7511.5174.9-59.9-90.3000114.3L55 L58 L63 V64 L142 F147 A148L55-F145 HydrophobicContact CD2-CD2 3.57Å; L55-F145 HydrophobicContact CD2-CE2 4.03Å; L55-F145 HydrophobicContact CD2-CG 4.37Å; L55-F145 HydrophobicContact CG-CD2 4.43Å; L58-F145 HydrophobicContact CD1-CD1 3.96Å; L58-F145 HydrophobicContact CD1-CE1 3.96Å; L63-F145 HydrophobicContact CB-CZ 4.36Å; L63-F145 HydrophobicContact CD1-CZ 4.38Å; L63-F145 HydrophobicContact CD2-CZ 4.04Å; L63-F145 HydrophobicContact CG-CZ 4.48Å; V64-F145 HydrophobicContact CG1-CE2 4.5Å; L142-F145 HydrophobicContact CB-CZ 4.42Å; F145-F147 PolarHBondContact O-N 2.94Å; F145-A148 HydrophobicContact CB-CB 4.01Å; F145-A148 HydrophobicContact CD1-CB 4.24Å; F145-A148 WeakPolarHBondContact O-CB 3.25Å; F145-A148 PolarHBondContact O-N 2.68Å
146G63.3Low71Confident6 Ų646.8 Ų46.86%0.06229%0.288CS..G310 helixtrans-59.3-32.8179.600000113.2D144D144-G146 PolarHBondContact O-N 3.18Å; D144-G146 VanDerWaalsContact O-N 3.14Å
147F59.5Low68.5Low16 Ų1644.5 Ų44.57%0.0729%0.294CS..G310 helixtrans-87.1-9.5175.2-60.2-62.8000114.4Y15 R125 D126 F145 Y161 A163Y15-F147 AromaticContact CE2-CE1 3.98Å; Y15-F147 HydrophobicContact CE2-CE1 3.98Å; Y15-F147 AromaticContact CE2-CZ 3.76Å; Y15-F147 HydrophobicContact CE2-CZ 3.76Å; Y15-F147 WeakPolarHBondContact OH-CE1 3.43Å; R125-F147 HydrophobicContact CB-CB 4.33Å; R125-F147 VanDerWaalsContact CD-O 3.26Å; R125-F147 WeakPolarHBondContact CD-O 3.27Å; R125-F147 PolarHBondContact NE-O 3.14Å; D126-F147 HydrophobicContact CB-CD2 3.93Å; F145-F147 PolarHBondContact O-N 2.94Å; F147-Y161 HydrophobicContact CB-CE2 3.93Å; F147-Y161 AromaticContact CD1-CD2 3.96Å; F147-Y161 HydrophobicContact CD1-CD2 3.96Å; F147-Y161 AromaticContact CD1-CE2 3.25Å; F147-Y161 HydrophobicContact CD1-CE2 3.25Å; F147-Y161 AromaticContact CD1-CZ 3.96Å; F147-Y161 HydrophobicContact CD2-CE2 4.04Å; F147-Y161 AromaticContact CD2-CZ 3.88Å; F147-Y161 VanDerWaalsContact CD2-OH 3.27Å; F147-Y161 WeakPolarHBondContact CD2-OH 3.14Å; F147-Y161 HydrophobicContact CE1-CD2 4.05Å; F147-Y161 AromaticContact CE1-CE2 3.64Å; F147-Y161 HydrophobicContact CE1-CE2 3.64Å; F147-Y161 HydrophobicContact CE2-CE2 4.36Å; F147-Y161 AromaticContact CG-CE2 3.46Å; F147-Y161 HydrophobicContact CG-CE2 3.46Å; F147-Y161 VanDerWaalsContact CG-CE2 3.46Å; F147-Y161 AromaticContact CG-CZ 3.76Å; F147-Y161 WeakPolarHBondContact CG-OH 3.24Å; F147-Y161 HydrophobicContact CZ-CE2 4.17Å; F147-A163 HydrophobicContact CE2-CB 4.43Å
148A55.2Low66.6Low0 Ų044.4 Ų44.40%029%0.29CS..  trans-62.2149.5-175.700000111.9M54 I122 V123 F145M54-A148 HydrophobicContact CE-CB 3.69Å; M54-A148 HydrophobicContact SD-CB 4.28Å; I122-A148 HydrophobicContact CG2-CB 4.06Å; V123-A148 VanDerWaalsContact O-CA 3.3Å; V123-A148 WeakPolarHBondContact O-CA 3.44Å; F145-A148 HydrophobicContact CB-CB 4.01Å; F145-A148 HydrophobicContact CD1-CB 4.24Å; F145-A148 WeakPolarHBondContact O-CB 3.25Å; F145-A148 PolarHBondContact O-N 2.68Å
149R60.6Low64.2Low29 Ų2946.4 Ų46.411%0.10930%0.296CS..EExtended strand (participates in β ladder)trans-139.6139.1178-69.7-64.2-178.6-82.9-2.3111.1I122 V123 E156 Y158I122-R149 WeakPolarHBondContact CA-O 3.38Å; V123-R149 PolarHBondContact N-O 3.37Å; V123-R149 PolarHBondContact O-N 3.48Å; R149-E156 IonicContact NE-OE2 2.73Å; R149-Y158 HydrophobicContact CG-CE1 4.43Å
150T61.6Low61.7Low90 Ų9051.7 Ų51.755%0.55233%0.325SS*.EExtended strand (participates in β ladder)trans-66.9138.1160.9-46.60000108.8N121 A152N121-T150 HydrophobicContact CB-CG2 4.5Å; N121-T150 CarbonylContact O-C 3.59Å; N121-T150 VanDerWaalsContact O-CA 3.31Å; N121-T150 WeakPolarHBondContact O-CA 3.33Å; T150-A152 PolarHBondContact O-N 2.88Å
151L58.9Low59.5Low54 Ų5453.2 Ų53.228%0.28333%0.33SS..SBendtrans-64.5123.9176.8-69.7159.8000110.7N121 V123 R181N121-L151 HydrophobicContact CB-CD1 4.28Å; N121-L151 WeakPolarHBondContact O-CG 3.49Å; N121-L151 PolarHBondContact O-N 3.29Å; V123-L151 HydrophobicContact CG2-CD1 4.32Å; V123-L151 HydrophobicContact CG2-CD2 3.45Å; V123-L151 VanDerWaalsContact CG2-CD2 3.45Å; V123-L151 HydrophobicContact CG2-CG 3.8Å; L151-R181 HydrophobicContact CD1-CG 3.74Å
152A47.5Very low57Low82 Ų8255.8 Ų55.868%0.67835%0.347SS*.  trans59103.3173.600000117.6T150T150-A152 PolarHBondContact O-N 2.88Å
153A39.9Very low55.2Low65 Ų6556.7 Ų56.754%0.53736%0.355SS..  -111.6125.6116.800000107G155A153-G155 PolarHBondContact O-N 2.85Å
154P42.1Very low54.2Low135 Ų13558.2 Ų58.288%0.87736%0.364SS*.THydrogen-bonded Turntrans-60125.2177.1-23.234000110.8
155G42.3Very low54.6Low74 Ų7459.1 Ų59.176%0.76336%0.364SS*.THydrogen-bonded Turntrans105.5-1.9174.400000117.5A153 V157A153-G155 PolarHBondContact O-N 2.85Å; G155-V157 PolarHBondContact O-N 3.08Å
156E46.6Very low55.6Low65 Ų6560.9 Ų60.930%0.30437%0.371SS..  trans-67.7102.6161.8-86.9-144.3149.600108.8K46 R50 R149 Y158K46-E156 IonicContact NZ-OE1 2.98Å; K46-E156 PolarHBondContact NZ-OE1 2.84Å; R50-E156 IonicContact CZ-OE2 2.88Å; R50-E156 VanDerWaalsContact NH1-CD 3.34Å; R50-E156 IonicContact NH1-OE1 3.84Å; R50-E156 PolarHBondContact NH1-OE1 3.37Å; R50-E156 IonicContact NH1-OE2 3.63Å; R50-E156 PolarHBondContact NH1-OE2 3.31Å; R50-E156 IonicContact NH2-OE1 3.6Å; R50-E156 IonicContact NH2-OE2 3.51Å; R149-E156 IonicContact NE-OE2 2.73Å; E156-Y158 HydrophobicContact CB-CE1 4.46Å; E156-Y158 PolarHBondContact O-N 3.1Å
157V40.4Very low57.1Low142 Ų14261.9 Ų61.986%0.86137%0.373SS*.PPolyproline II helixtrans-60.2123167.4178.80000108.2G155G155-V157 PolarHBondContact O-N 3.08Å
158Y50.2Low58.8Low67 Ų6762.3 Ų62.326%0.26337%0.374SS..PPolyproline II helixtrans-85.5124.7-177.6-56.4-68.5000110.1R149 E156 D160 Y179R149-Y158 HydrophobicContact CG-CE1 4.43Å; E156-Y158 HydrophobicContact CB-CE1 4.46Å; E156-Y158 PolarHBondContact O-N 3.1Å; Y158-D160 PolarHBondContact O-N 3.36Å; Y158-Y179 WeakPolarHBondContact CD1-OH 3.46Å; Y158-Y179 HydrophobicContact CD2-CD1 4.49Å; Y158-Y179 AromaticContact CD2-CE1 3.36Å; Y158-Y179 HydrophobicContact CD2-CE1 3.36Å; Y158-Y179 AromaticContact CD2-CZ 3.72Å; Y158-Y179 VanDerWaalsContact CD2-OH 3.27Å; Y158-Y179 WeakPolarHBondContact CD2-OH 3.25Å; Y158-Y179 WeakPolarHBondContact CE1-OH 3.36Å; Y158-Y179 HydrophobicContact CE2-CD1 4.45Å; Y158-Y179 AromaticContact CE2-CE1 3.5Å; Y158-Y179 HydrophobicContact CE2-CE1 3.5Å; Y158-Y179 VanDerWaalsContact CE2-CE1 3.5Å; Y158-Y179 AromaticContact CE2-CZ 3.69Å; Y158-Y179 WeakPolarHBondContact CE2-OH 3.22Å; Y158-Y179 AromaticContact CG-CE1 3.96Å; Y158-Y179 HydrophobicContact CG-CE1 3.96Å; Y158-Y179 AromaticContact CG-CZ 3.95Å; Y158-Y179 AromaticContact CZ-CZ 3.92Å
159T45.8Very low60.8Low68 Ų6862.3 Ų62.342%0.41737%0.374SS..PPolyproline II helixtrans-58.6130.6177.351.50000111.3
160D45Very low62.5Low113 Ų11360.9 Ų60.960%0.60437%0.368SS*.PPolyproline II helixtrans-64.2156167.1-155.9-11.7000110.2Y158 R168Y158-D160 PolarHBondContact O-N 3.36Å; D160-R168 IonicContact OD1-NH1 2.68Å; D160-R168 PolarHBondContact OD1-NH1 3.26Å
161Y50.4Low64.1Low31 Ų3156.6 Ų56.612%0.12234%0.342CS..  trans-126.3123.1-132.8-168-100000112.5R125 D126 F147 A163 R168R125-Y161 VanDerWaalsContact NH2-CD2 3.29Å; R125-Y161 VanDerWaalsContact NH2-CE2 3.31Å; R125-Y161 PolarHBondContact O-OH 2.82Å; D126-Y161 WeakPolarHBondContact CB-OH 3.36Å; D126-Y161 PolarHBondContact OD1-OH 3.35Å; F147-Y161 HydrophobicContact CB-CE2 3.93Å; F147-Y161 AromaticContact CD1-CD2 3.96Å; F147-Y161 HydrophobicContact CD1-CD2 3.96Å; F147-Y161 AromaticContact CD1-CE2 3.25Å; F147-Y161 HydrophobicContact CD1-CE2 3.25Å; F147-Y161 AromaticContact CD1-CZ 3.96Å; F147-Y161 HydrophobicContact CD2-CE2 4.04Å; F147-Y161 AromaticContact CD2-CZ 3.88Å; F147-Y161 VanDerWaalsContact CD2-OH 3.27Å; F147-Y161 WeakPolarHBondContact CD2-OH 3.14Å; F147-Y161 HydrophobicContact CE1-CD2 4.05Å; F147-Y161 AromaticContact CE1-CE2 3.64Å; F147-Y161 HydrophobicContact CE1-CE2 3.64Å; F147-Y161 HydrophobicContact CE2-CE2 4.36Å; F147-Y161 AromaticContact CG-CE2 3.46Å; F147-Y161 HydrophobicContact CG-CE2 3.46Å; F147-Y161 VanDerWaalsContact CG-CE2 3.46Å; F147-Y161 AromaticContact CG-CZ 3.76Å; F147-Y161 WeakPolarHBondContact CG-OH 3.24Å; F147-Y161 HydrophobicContact CZ-CE2 4.17Å; Y161-A163 VanDerWaalsContact C-N 3.27Å; Y161-A163 HydrophobicContact CD1-CB 4.06Å; Y161-A163 HydrophobicContact CE1-CB 3.64Å; Y161-A163 PolarHBondContact O-N 2.98Å; Y161-R168 PolarHBondContact O-NH2 2.93Å
162V45.4Very low65.7Low69 Ų6956.4 Ų56.442%0.41834%0.341SS..SBendtrans-82.92.3-169.2-161.80000113.3
163A57.3Low67.9Low19 Ų1952.7 Ų52.716%0.15731%0.31CS..SBendtrans-116.5164-178.300000114.4F147 Y161 R165 R168F147-A163 HydrophobicContact CE2-CB 4.43Å; Y161-A163 VanDerWaalsContact C-N 3.27Å; Y161-A163 HydrophobicContact CD1-CB 4.06Å; Y161-A163 HydrophobicContact CE1-CB 3.64Å; Y161-A163 PolarHBondContact O-N 2.98Å; A163-R165 PolarHBondContact O-N 3.23Å; A163-R168 PolarHBondContact O-NH2 2.87Å
164T70.9Confident70.5Confident52 Ų5249.6 Ų49.632%0.31928%0.284SS..  trans-46.5113.6-167-51.40000114.1W166 Y167T164-W166 HydrophobicContact CG2-CB 4.12Å; T164-W166 HydrophobicContact CG2-CD2 3.63Å; T164-W166 HydrophobicContact CG2-CE3 3.87Å; T164-W166 HydrophobicContact CG2-CG 3.74Å; T164-W166 PolarHBondContact O-N 3.24Å; T164-Y167 HydrophobicContact CG2-CD2 4.36Å; T164-Y167 HydrophobicContact CG2-CE2 3.84Å
165R89.8Confident72.7Confident62 Ų6245 Ų4523%0.23426%0.261CS..G310 helixtrans-71.3-11-173.974.5173.761.975.50.2115.9A163 Y167 R168 G204 D205 S206 D207 Q210A163-R165 PolarHBondContact O-N 3.23Å; R165-Y167 PolarHBondContact O-N 2.82Å; R165-Y167 VanDerWaalsContact O-N 3.08Å; R165-R168 HydrophobicContact CB-CG 4.33Å; R165-R168 WeakPolarHBondContact O-CB 3.46Å; R165-R168 WeakPolarHBondContact O-CG 3.48Å; R165-R168 PolarHBondContact O-N 3.32Å; R165-G204 WeakPolarHBondContact CD-O 3.28Å; R165-G204 WeakPolarHBondContact CG-O 3.43Å; R165-G204 PolarHBondContact NH1-O 2.89Å; R165-D205 PolarHBondContact NH1-O 2.99Å; R165-S206 VanDerWaalsContact CD-C 3.47Å; R165-S206 WeakPolarHBondContact CD-O 3.34Å; R165-S206 VanDerWaalsContact NE-C 3.35Å; R165-D207 IonicContact CZ-OD1 2.88Å; R165-D207 IonicContact NE-OD1 2.94Å; R165-D207 PolarHBondContact NE-OD1 3.09Å; R165-D207 IonicContact NH2-OD1 2.7Å; R165-D207 PolarHBondContact NH2-OD1 2.78Å; R165-Q210 HydrophobicContact CG-CB 4.42Å; R165-Q210 HydrophobicContact CG-CG 4.34Å
166W94.9Very high75Confident40 Ų4042 Ų4215%0.15223%0.227CC..G310 helixtrans-62.6-22.3-167.8-55.2-16.5000114T164 P200 F202 P203 G204 Q210 Y476T164-W166 HydrophobicContact CG2-CB 4.12Å; T164-W166 HydrophobicContact CG2-CD2 3.63Å; T164-W166 HydrophobicContact CG2-CE3 3.87Å; T164-W166 HydrophobicContact CG2-CG 3.74Å; T164-W166 PolarHBondContact O-N 3.24Å; W166-P200 HydrophobicContact CD2-CB 4.43Å; W166-P200 HydrophobicContact CE3-CB 3.61Å; W166-P200 HydrophobicContact CE3-CG 3.92Å; W166-P200 HydrophobicContact CH2-CG 4.41Å; W166-P200 HydrophobicContact CZ3-CB 3.92Å; W166-P200 HydrophobicContact CZ3-CG 3.71Å; W166-F202 WeakPolarHBondContact CA-O 3.47Å; W166-F202 WeakPolarHBondContact CB-O 3.49Å; W166-P203 HydrophobicContact CD2-CB 4.13Å; W166-P203 HydrophobicContact CH2-CB 4.48Å; W166-P203 HydrophobicContact CZ2-CB 4.08Å; W166-G204 VanDerWaalsContact CD1-N 3.3Å; W166-G204 PolarHBondContact NE1-O 3.28Å; W166-Q210 PolarHBondContact O-NE2 3.19Å; W166-Y476 HydrophobicContact CH2-CD2 4.12Å; W166-Y476 HydrophobicContact CH2-CE2 4.16Å; W166-Y476 HydrophobicContact CZ3-CD2 4.47Å; W166-Y476 HydrophobicContact CZ3-CE2 4.11Å
167Y95.7Very high76.8Confident27 Ų2744.1 Ų44.111%0.10625%0.245CC..G310 helixtrans-102.2-0.4179.1-42.5-85.7000113.1I127 K128 P129 T164 R165 C190 E194I127-Y167 WeakPolarHBondContact O-CB 3.45Å; K128-Y167 HydrophobicContact CB-CD1 4.47Å; K128-Y167 HydrophobicContact CB-CD2 3.56Å; K128-Y167 HydrophobicContact CB-CE1 4.41Å; K128-Y167 HydrophobicContact CB-CE2 3.51Å; K128-Y167 HydrophobicContact CB-CG 4.09Å; P129-Y167 VanDerWaalsContact CD-OH 3.26Å; P129-Y167 WeakPolarHBondContact CD-OH 3.3Å; T164-Y167 HydrophobicContact CG2-CD2 4.36Å; T164-Y167 HydrophobicContact CG2-CE2 3.84Å; R165-Y167 PolarHBondContact O-N 2.82Å; R165-Y167 VanDerWaalsContact O-N 3.08Å; Y167-C190 HydrophobicContact CD1-CB 3.86Å; Y167-C190 HydrophobicContact CE1-CB 4.48Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.1Å; Y167-E194 PolarHBondContact OH-OE1 3.24Å; Y167-E194 PolarHBondContact OH-OE2 3.11Å
168R94.7Very high78.9Confident24 Ų2445.8 Ų45.89%0.09124%0.24CC..  trans-67.4133.9177.1-66.4179.3-160.2-167.73.6109.8D160 Y161 A163 R165 L172 L173 W186 D207D160-R168 IonicContact OD1-NH1 2.68Å; D160-R168 PolarHBondContact OD1-NH1 3.26Å; Y161-R168 PolarHBondContact O-NH2 2.93Å; A163-R168 PolarHBondContact O-NH2 2.87Å; R165-R168 HydrophobicContact CB-CG 4.33Å; R165-R168 WeakPolarHBondContact O-CB 3.46Å; R165-R168 WeakPolarHBondContact O-CG 3.48Å; R165-R168 PolarHBondContact O-N 3.32Å; R168-L172 HydrophobicContact CB-CB 4.41Å; R168-L172 HydrophobicContact CB-CD1 4.35Å; R168-L173 HydrophobicContact CB-CD1 4.32Å; R168-L173 HydrophobicContact CB-CD2 3.85Å; R168-L173 HydrophobicContact CB-CG 3.88Å; R168-L173 HydrophobicContact CG-CD2 4.48Å; R168-W186 PolarHBondContact O-NE1 2.67Å; R168-W186 VanDerWaalsContact O-NE1 3.11Å; R168-D207 IonicContact CZ-OD2 2.73Å; R168-D207 IonicContact NE-OD2 3.14Å; R168-D207 IonicContact NH1-OD1 3.34Å; R168-D207 IonicContact NH1-OD2 3.47Å; R168-D207 PolarHBondContact NH1-OD2 3.47Å
169A96.4Very high80.7Confident0 Ų044.1 Ų44.10%023%0.234CC..  trans-76.2156.7174.400000111.9E171 L172 L173 I183 W186A169-E171 HydrophobicContact CB-CG 4.33Å; A169-E171 WeakPolarHBondContact CB-OE2 3.5Å; A169-E171 PolarHBondContact O-N 3.1Å; A169-L172 WeakPolarHBondContact O-CB 3.46Å; A169-L172 PolarHBondContact O-N 2.98Å; A169-L173 PolarHBondContact O-N 2.9Å; A169-I183 HydrophobicContact CB-CB 4.21Å; A169-I183 HydrophobicContact CB-CG2 4.08Å; A169-W186 VanDerWaalsContact CA-CD1 3.47Å; A169-W186 HydrophobicContact CB-CB 3.76Å; A169-W186 HydrophobicContact CB-CD2 4.16Å; A169-W186 HydrophobicContact CB-CG 3.61Å
170P96.7Very high82.9Confident0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-51.5-40.1-179.1-27.835.1000113.9L172 L173 V174 W186 I214 L221 Y225 I270P170-L172 VanDerWaalsContact C-N 3.32Å; P170-L172 PolarHBondContact O-N 3.15Å; P170-L173 PolarHBondContact O-N 2.77Å; P170-V174 PolarHBondContact O-N 3.48Å; P170-W186 HydrophobicContact CG-CE3 4.39Å; P170-W186 HydrophobicContact CG-CH2 3.71Å; P170-W186 HydrophobicContact CG-CZ2 4.1Å; P170-W186 HydrophobicContact CG-CZ3 3.88Å; P170-I214 HydrophobicContact CG-CG2 4.34Å; P170-L221 HydrophobicContact CB-CD2 4.24Å; P170-Y225 HydrophobicContact CB-CD2 4.49Å; P170-Y225 HydrophobicContact CB-CE2 4.44Å; P170-I270 HydrophobicContact CG-CD1 4.47Å
171E95.2Very high85.3Confident0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-61.4-35.6178.361.4-92.1-139.500113.4A169 G175 D176 I183 Y225 A272 R275A169-E171 HydrophobicContact CB-CG 4.33Å; A169-E171 WeakPolarHBondContact CB-OE2 3.5Å; A169-E171 PolarHBondContact O-N 3.1Å; E171-G175 PolarHBondContact O-N 2.63Å; E171-D176 HydrophobicContact CB-CB 3.98Å; E171-D176 VanDerWaalsContact O-CB 3.31Å; E171-D176 WeakPolarHBondContact O-CB 3.23Å; E171-D176 PolarHBondContact O-N 2.91Å; E171-I183 HydrophobicContact CG-CG2 3.85Å; E171-I183 WeakPolarHBondContact OE1-CG2 3.49Å; E171-Y225 HydrophobicContact CB-CD1 4.43Å; E171-Y225 HydrophobicContact CB-CE1 3.53Å; E171-A272 WeakPolarHBondContact OE1-CB 3.31Å; E171-R275 IonicContact OE1-CZ 2.72Å; E171-R275 IonicContact OE1-NH1 3.51Å; E171-R275 PolarHBondContact OE1-NH1 2.6Å; E171-R275 IonicContact OE1-NH2 2.71Å; E171-R275 IonicContact OE2-CZ 3.62Å; E171-R275 IonicContact OE2-NH1 2.67Å; E171-R275 PolarHBondContact OE2-NH1 3.36Å; E171-R275 IonicContact OE2-NH2 3.22Å; E171-R275 PolarHBondContact OE2-NH2 3.18Å
172L92.6Very high87.5Confident49 Ų4940.4 Ų40.426%0.25721%0.212SC..Hα-helixtrans-71.7-40.7175.8-61.6176000110.6R168 A169 P170 G175 Y179 I183R168-L172 HydrophobicContact CB-CB 4.41Å; R168-L172 HydrophobicContact CB-CD1 4.35Å; A169-L172 WeakPolarHBondContact O-CB 3.46Å; A169-L172 PolarHBondContact O-N 2.98Å; P170-L172 VanDerWaalsContact C-N 3.32Å; P170-L172 PolarHBondContact O-N 3.15Å; L172-G175 PolarHBondContact O-N 3.31Å; L172-Y179 HydrophobicContact CD2-CD1 3.58Å; L172-Y179 HydrophobicContact CD2-CD2 3.99Å; L172-Y179 HydrophobicContact CD2-CE1 3.93Å; L172-Y179 HydrophobicContact CD2-CE2 4.3Å; L172-Y179 HydrophobicContact CD2-CG 3.64Å; L172-I183 HydrophobicContact CD1-CB 4.16Å; L172-I183 HydrophobicContact CD1-CD1 4.18Å; L172-I183 HydrophobicContact CD1-CG2 4.1Å; L172-I183 HydrophobicContact CD2-CD1 4.29Å; L172-I183 HydrophobicContact CD2-CG2 4.17Å; L172-I183 HydrophobicContact CG-CG2 3.96Å
173L93.6Very high89.9Confident5 Ų537.4 Ų37.43%0.02619%0.193CC..Hα-helixtrans-71-32.5-175.9-66.9166.3000113.1R168 A169 P170 D207 Q210 L211 I214 F235R168-L173 HydrophobicContact CB-CD1 4.32Å; R168-L173 HydrophobicContact CB-CD2 3.85Å; R168-L173 HydrophobicContact CB-CG 3.88Å; R168-L173 HydrophobicContact CG-CD2 4.48Å; A169-L173 PolarHBondContact O-N 2.9Å; P170-L173 PolarHBondContact O-N 2.77Å; L173-D207 HydrophobicContact CD2-CB 3.89Å; L173-D207 VanDerWaalsContact CD2-OD2 3.3Å; L173-D207 WeakPolarHBondContact CD2-OD2 3.34Å; L173-Q210 HydrophobicContact CD1-CB 4.15Å; L173-Q210 HydrophobicContact CD1-CG 3.47Å; L173-Q210 VanDerWaalsContact CD1-CG 3.47Å; L173-Q210 HydrophobicContact CD2-CB 4.06Å; L173-Q210 HydrophobicContact CD2-CG 3.83Å; L173-Q210 HydrophobicContact CG-CG 4.32Å; L173-L211 HydrophobicContact CB-CD1 4.15Å; L173-L211 HydrophobicContact CB-CD2 3.62Å; L173-L211 HydrophobicContact CB-CG 3.77Å; L173-L211 HydrophobicContact CD1-CD2 3.94Å; L173-L211 HydrophobicContact CD1-CG 4.2Å; L173-L211 HydrophobicContact CG-CD2 4.43Å; L173-I214 HydrophobicContact CD1-CD1 3.53Å; L173-F235 VanDerWaalsContact O-CE2 3.31Å; L173-F235 WeakPolarHBondContact O-CE2 3.25Å; L173-F235 VanDerWaalsContact O-CZ 3.24Å; L173-F235 WeakPolarHBondContact O-CZ 3.46Å
174V94Very high91.8Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-82.4-14.4172.5-57.50000113.4P170 D176 L211 L221 Y225 I228 F229 N232P170-V174 PolarHBondContact O-N 3.48Å; V174-D176 HydrophobicContact CG2-CB 4.44Å; V174-L211 HydrophobicContact CG1-CD1 4.13Å; V174-L211 HydrophobicContact CG1-CD2 4.22Å; V174-L221 HydrophobicContact CG1-CD1 3.98Å; V174-Y225 HydrophobicContact CG2-CD1 3.8Å; V174-Y225 HydrophobicContact CG2-CG 4.3Å; V174-I228 HydrophobicContact CB-CG2 4.23Å; V174-I228 HydrophobicContact CG2-CB 4.16Å; V174-I228 HydrophobicContact CG2-CG2 3.8Å; V174-F229 HydrophobicContact CB-CB 4.37Å; V174-F229 HydrophobicContact CG1-CB 4.24Å; V174-F229 HydrophobicContact CG1-CD2 4.3Å; V174-N232 PolarHBondContact O-ND2 2.78Å
175G89.2Confident93.1Very high37 Ų3734.1 Ų34.138%0.38117%0.171SC..THydrogen-bonded Turntrans85.933.4-177.500000114.8E171 L172 T177E171-G175 PolarHBondContact O-N 2.63Å; L172-G175 PolarHBondContact O-N 3.31Å; G175-T177 PolarHBondContact O-N 2.89Å
176D90.6Very high93.5Very high11 Ų1131.2 Ų31.26%0.05916%0.16CC..  trans-65.9119172.3-173-6.5000110.3E171 V174 K178 Y179 K224 I228E171-D176 HydrophobicContact CB-CB 3.98Å; E171-D176 VanDerWaalsContact O-CB 3.31Å; E171-D176 WeakPolarHBondContact O-CB 3.23Å; E171-D176 PolarHBondContact O-N 2.91Å; V174-D176 HydrophobicContact CG2-CB 4.44Å; D176-K178 PolarHBondContact O-N 2.81Å; D176-K178 PolarHBondContact OD1-N 3.3Å; D176-Y179 WeakPolarHBondContact O-CD1 3.49Å; D176-K224 VanDerWaalsContact OD2-CE 3.28Å; D176-K224 WeakPolarHBondContact OD2-CE 3.28Å; D176-K224 IonicContact OD2-NZ 3.92Å; D176-K224 PolarHBondContact OD2-NZ 3.07Å; D176-I228 HydrophobicContact CB-CD1 3.82Å
177T84.3Confident93.7Very high110 Ų11029.5 Ų29.568%0.67516%0.155SC*.THydrogen-bonded Turntrans-74.8-9.7178.954.40000113.5G175G175-T177 PolarHBondContact O-N 2.89Å
178K85.2Confident93.8Very high177 Ų17728.2 Ų28.277%0.7715%0.15SC*.THydrogen-bonded Turntrans-108.236.4-177.3-60-176.1179.4-178.90113.2D176D176-K178 PolarHBondContact O-N 2.81Å; D176-K178 PolarHBondContact OD1-N 3.3Å
179Y87.7Confident94Very high33 Ų3327.1 Ų27.113%0.12915%0.146CC..  trans-72.8167.3169.371.7-99.2000112.2R125 Y158 L172 D176 I183R125-Y179 PolarHBondContact NH1-OH 3.4Å; Y158-Y179 WeakPolarHBondContact CD1-OH 3.46Å; Y158-Y179 HydrophobicContact CD2-CD1 4.49Å; Y158-Y179 AromaticContact CD2-CE1 3.36Å; Y158-Y179 HydrophobicContact CD2-CE1 3.36Å; Y158-Y179 AromaticContact CD2-CZ 3.72Å; Y158-Y179 VanDerWaalsContact CD2-OH 3.27Å; Y158-Y179 WeakPolarHBondContact CD2-OH 3.25Å; Y158-Y179 WeakPolarHBondContact CE1-OH 3.36Å; Y158-Y179 HydrophobicContact CE2-CD1 4.45Å; Y158-Y179 AromaticContact CE2-CE1 3.5Å; Y158-Y179 HydrophobicContact CE2-CE1 3.5Å; Y158-Y179 VanDerWaalsContact CE2-CE1 3.5Å; Y158-Y179 AromaticContact CE2-CZ 3.69Å; Y158-Y179 WeakPolarHBondContact CE2-OH 3.22Å; Y158-Y179 AromaticContact CG-CE1 3.96Å; Y158-Y179 HydrophobicContact CG-CE1 3.96Å; Y158-Y179 AromaticContact CG-CZ 3.95Å; Y158-Y179 AromaticContact CZ-CZ 3.92Å; L172-Y179 HydrophobicContact CD2-CD1 3.58Å; L172-Y179 HydrophobicContact CD2-CD2 3.99Å; L172-Y179 HydrophobicContact CD2-CE1 3.93Å; L172-Y179 HydrophobicContact CD2-CE2 4.3Å; L172-Y179 HydrophobicContact CD2-CG 3.64Å; D176-Y179 WeakPolarHBondContact O-CD1 3.49Å; Y179-I183 HydrophobicContact CD2-CD1 3.73Å; Y179-I183 HydrophobicContact CD2-CG2 4.33Å; Y179-I183 HydrophobicContact CE2-CD1 3.96Å
180G91Very high94.1Very high13 Ų1327.2 Ų27.213%0.13415%0.146CC..  trans-164.5-148176.900000112.6P182 I183G180-P182 VanDerWaalsContact C-N 3.27Å; G180-P182 WeakPolarHBondContact O-CD 3.2Å; G180-I183 WeakPolarHBondContact O-CG1 3.41Å; G180-I183 PolarHBondContact O-N 3.21Å
181R95.2Very high94.2Very high89 Ų8927.2 Ų27.234%0.33615%0.146SC..THydrogen-bonded Turntrans-42.4-37.9180-61.7-178.7-171.1-179.25.8115.8H118 N121 V123 L151 I183 D184H118-R181 HydrophobicContact CB-CG 4.39Å; H118-R181 PolarHBondContact CE1-O 3.45Å; H118-R181 VanDerWaalsContact CE1-O 3.29Å; H118-R181 PolarHBondContact O-NE 3.13Å; H118-R181 PolarHBondContact O-NH2 3.1Å; N121-R181 PolarHBondContact OD1-NH2 3.24Å; V123-R181 HydrophobicContact CG2-CG 4.4Å; L151-R181 HydrophobicContact CD1-CG 3.74Å; R181-I183 PolarHBondContact O-N 3.44Å; R181-I183 VanDerWaalsContact O-N 3.11Å; R181-D184 PolarHBondContact O-N 3.09Å
182P96.9Very high94.3Very high32 Ų3227.2 Ų27.221%0.20815%0.146CC..Hα-helixtrans-63-13.8-178-27.137.6000117G180 I185 W186 A272 R275G180-P182 VanDerWaalsContact C-N 3.27Å; G180-P182 WeakPolarHBondContact O-CD 3.2Å; P182-I185 PolarHBondContact O-N 3.24Å; P182-W186 PolarHBondContact O-N 2.67Å; P182-W186 VanDerWaalsContact O-N 3.1Å; P182-A272 HydrophobicContact CB-CB 3.93Å; P182-A272 VanDerWaalsContact CB-O 3.24Å; P182-A272 WeakPolarHBondContact CB-O 3.24Å; P182-A272 HydrophobicContact CG-CB 4.24Å; P182-A272 VanDerWaalsContact CG-O 3.22Å; P182-A272 WeakPolarHBondContact CG-O 3.41Å; P182-R275 HydrophobicContact CB-CB 4.33Å; P182-R275 PolarHBondContact O-NH1 2.87Å
183I96.2Very high94.6Very high5 Ų525 Ų253%0.02614%0.135CC..Hα-helixtrans-69-36.3175.670.6-174.4000111.7V123 R125 A169 E171 L172 Y179 G180 R181 I185 W186 A187V123-I183 HydrophobicContact CG1-CD1 3.65Å; V123-I183 HydrophobicContact CG1-CG1 3.67Å; R125-I183 HydrophobicContact CB-CD1 4.44Å; R125-I183 HydrophobicContact CG-CD1 3.55Å; A169-I183 HydrophobicContact CB-CB 4.21Å; A169-I183 HydrophobicContact CB-CG2 4.08Å; E171-I183 HydrophobicContact CG-CG2 3.85Å; E171-I183 WeakPolarHBondContact OE1-CG2 3.49Å; L172-I183 HydrophobicContact CD1-CB 4.16Å; L172-I183 HydrophobicContact CD1-CD1 4.18Å; L172-I183 HydrophobicContact CD1-CG2 4.1Å; L172-I183 HydrophobicContact CD2-CD1 4.29Å; L172-I183 HydrophobicContact CD2-CG2 4.17Å; L172-I183 HydrophobicContact CG-CG2 3.96Å; Y179-I183 HydrophobicContact CD2-CD1 3.73Å; Y179-I183 HydrophobicContact CD2-CG2 4.33Å; Y179-I183 HydrophobicContact CE2-CD1 3.96Å; G180-I183 WeakPolarHBondContact O-CG1 3.41Å; G180-I183 PolarHBondContact O-N 3.21Å; R181-I183 PolarHBondContact O-N 3.44Å; R181-I183 VanDerWaalsContact O-N 3.11Å; I183-I185 VanDerWaalsContact C-N 3.28Å; I183-I185 PolarHBondContact O-N 2.88Å; I183-W186 PolarHBondContact O-N 2.72Å; I183-A187 PolarHBondContact O-N 3.02Å
184D97.2Very high94.8Very high1 Ų125.2 Ų25.21%0.00514%0.136CC..Hα-helixtrans-67.7-35.4177-68.3-19.6000109.9V114 H118 V123 H124 R125 I127 R181 A187 I188V114-D184 HydrophobicContact CG1-CB 3.93Å; H118-D184 IonicContact CD2-OD2 3.58Å; H118-D184 IonicContact CE1-OD2 3.81Å; H118-D184 IonicContact NE2-OD2 2.85Å; H118-D184 PolarHBondContact NE2-OD2 2.76Å; V123-D184 VanDerWaalsContact CG1-OD2 3.25Å; V123-D184 WeakPolarHBondContact CG1-OD2 3.27Å; H124-D184 PolarHBondContact N-OD1 2.84Å; H124-D184 PolarHBondContact N-OD2 3.14Å; R125-D184 PolarHBondContact N-OD1 3.47Å; I127-D184 HydrophobicContact CD1-CB 3.61Å; R181-D184 PolarHBondContact O-N 3.09Å; D184-A187 PolarHBondContact O-N 3.3Å; D184-I188 WeakPolarHBondContact O-CD1 3.3Å; D184-I188 VanDerWaalsContact O-CG1 3.23Å; D184-I188 WeakPolarHBondContact O-CG1 3.45Å; D184-I188 PolarHBondContact O-N 3.01Å
185I98.6Very high95Very high2 Ų225.2 Ų25.21%0.0114%0.136CC..Hα-helixtrans-65.6-42.3176.3-55.7-61.2000111.5P182 I183 I188 G189 C267 R275 P276 L281P182-I185 PolarHBondContact O-N 3.24Å; I183-I185 VanDerWaalsContact C-N 3.28Å; I183-I185 PolarHBondContact O-N 2.88Å; I185-I188 HydrophobicContact CD1-CD1 4.43Å; I185-I188 WeakPolarHBondContact O-CB 3.36Å; I185-I188 PolarHBondContact O-N 2.86Å; I185-G189 PolarHBondContact O-N 3.34Å; I185-G189 VanDerWaalsContact O-N 3.13Å; I185-C267 HydrophobicContact CG2-CB 4.33Å; I185-C267 WeakPolarHBondContact O-CB 3.23Å; I185-R275 HydrophobicContact CG2-CB 3.99Å; I185-P276 WeakPolarHBondContact CG1-O 3.31Å; I185-L281 HydrophobicContact CD1-CD1 3.95Å; I185-L281 HydrophobicContact CG2-CD1 4.21Å
186W98.5Very high95.3Very high0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-60.6-46.7173174.7-84.6000111.8R168 A169 P170 P182 I183 I188 G189 C190 F202 I214 L218 L268 R269 I270R168-W186 PolarHBondContact O-NE1 2.67Å; R168-W186 VanDerWaalsContact O-NE1 3.11Å; A169-W186 VanDerWaalsContact CA-CD1 3.47Å; A169-W186 HydrophobicContact CB-CB 3.76Å; A169-W186 HydrophobicContact CB-CD2 4.16Å; A169-W186 HydrophobicContact CB-CG 3.61Å; P170-W186 HydrophobicContact CG-CE3 4.39Å; P170-W186 HydrophobicContact CG-CH2 3.71Å; P170-W186 HydrophobicContact CG-CZ2 4.1Å; P170-W186 HydrophobicContact CG-CZ3 3.88Å; P182-W186 PolarHBondContact O-N 2.67Å; P182-W186 VanDerWaalsContact O-N 3.1Å; I183-W186 PolarHBondContact O-N 2.72Å; W186-I188 VanDerWaalsContact C-N 3.31Å; W186-I188 PolarHBondContact O-N 3.12Å; W186-G189 WeakPolarHBondContact O-CA 3.4Å; W186-G189 PolarHBondContact O-N 2.88Å; W186-C190 PolarHBondContact O-N 2.88Å; W186-F202 HydrophobicContact CH2-CE2 4.45Å; W186-F202 HydrophobicContact CZ2-CD2 4.3Å; W186-F202 AromaticContact CZ2-CE2 3.93Å; W186-F202 HydrophobicContact CZ2-CE2 3.93Å; W186-I214 HydrophobicContact CH2-CD1 4.45Å; W186-I214 HydrophobicContact CH2-CG1 4.42Å; W186-I214 HydrophobicContact CH2-CG2 3.8Å; W186-I214 HydrophobicContact CZ2-CD1 3.73Å; W186-I214 HydrophobicContact CZ2-CG1 3.9Å; W186-I214 HydrophobicContact CZ2-CG2 4.13Å; W186-L218 HydrophobicContact CH2-CD1 3.53Å; W186-L218 HydrophobicContact CZ2-CD1 4.39Å; W186-L218 HydrophobicContact CZ3-CD1 4.05Å; W186-L268 HydrophobicContact CD2-CD2 3.77Å; W186-L268 HydrophobicContact CE3-CD2 3.88Å; W186-L268 HydrophobicContact CG-CD2 4.26Å; W186-L268 HydrophobicContact CH2-CD2 4.4Å; W186-L268 HydrophobicContact CZ2-CD2 4.28Å; W186-L268 HydrophobicContact CZ3-CB 4.35Å; W186-L268 HydrophobicContact CZ3-CD2 4.21Å; W186-R269 WeakPolarHBondContact CZ3-O 3.48Å; W186-I270 HydrophobicContact CH2-CD1 4.46Å
187A97.9Very high95.6Very high5 Ų525.6 Ų25.64%0.04113%0.13CC..Hα-helixtrans-62.1-36.6178.500000112.6I127 I183 D184 G189 C190 L191I127-A187 HydrophobicContact CB-CB 3.75Å; I127-A187 HydrophobicContact CG2-CB 4.05Å; I183-A187 PolarHBondContact O-N 3.02Å; D184-A187 PolarHBondContact O-N 3.3Å; A187-G189 VanDerWaalsContact C-N 3.29Å; A187-G189 PolarHBondContact O-N 3.35Å; A187-C190 PolarHBondContact O-N 3.27Å; A187-L191 WeakPolarHBondContact O-CB 3.17Å; A187-L191 PolarHBondContact O-N 3.17Å
188I98.7Very high96.1Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-60.7-36.7169.9-69.6162.8000111.5L107 V110 I111 V114 I127 D184 I185 W186 A192 F263L107-I188 HydrophobicContact CD2-CG2 4.25Å; V110-I188 HydrophobicContact CG1-CD1 4.46Å; V110-I188 HydrophobicContact CG1-CG1 4.09Å; I111-I188 HydrophobicContact CD1-CG2 4.26Å; I111-I188 HydrophobicContact CG1-CD1 3.94Å; I111-I188 HydrophobicContact CG1-CG2 4.06Å; V114-I188 HydrophobicContact CB-CD1 4.34Å; V114-I188 HydrophobicContact CG1-CD1 4.26Å; V114-I188 HydrophobicContact CG2-CD1 4.08Å; I127-I188 HydrophobicContact CD1-CD1 4.45Å; I127-I188 HydrophobicContact CD1-CG1 4.25Å; I127-I188 HydrophobicContact CG2-CG1 4.38Å; D184-I188 WeakPolarHBondContact O-CD1 3.3Å; D184-I188 VanDerWaalsContact O-CG1 3.23Å; D184-I188 WeakPolarHBondContact O-CG1 3.45Å; D184-I188 PolarHBondContact O-N 3.01Å; I185-I188 HydrophobicContact CD1-CD1 4.43Å; I185-I188 WeakPolarHBondContact O-CB 3.36Å; I185-I188 PolarHBondContact O-N 2.86Å; W186-I188 VanDerWaalsContact C-N 3.31Å; W186-I188 PolarHBondContact O-N 3.12Å; I188-A192 WeakPolarHBondContact O-CB 3.27Å; I188-A192 PolarHBondContact O-N 2.89Å; I188-F263 HydrophobicContact CG2-CZ 4.26Å
189G98.4Very high96.6Very high0 Ų017.9 Ų17.90%010%0.098CC..Hα-helixtrans-64.4-44.6173.500000113.3I185 W186 A187 S193I185-G189 PolarHBondContact O-N 3.34Å; I185-G189 VanDerWaalsContact O-N 3.13Å; W186-G189 WeakPolarHBondContact O-CA 3.4Å; W186-G189 PolarHBondContact O-N 2.88Å; A187-G189 VanDerWaalsContact C-N 3.29Å; A187-G189 PolarHBondContact O-N 3.35Å; G189-S193 PolarHBondContact O-N 2.61Å; G189-S193 VanDerWaalsContact O-N 3.16Å
190C98.3Very high96.9Very high2 Ų217.8 Ų17.81%0.01410%0.102CC..Hα-helixtrans-62.9-48173.7-71.50000111.8Y167 W186 A187 A192 S193 E194Y167-C190 HydrophobicContact CD1-CB 3.86Å; Y167-C190 HydrophobicContact CE1-CB 4.48Å; W186-C190 PolarHBondContact O-N 2.88Å; A187-C190 PolarHBondContact O-N 3.27Å; C190-A192 PolarHBondContact O-N 3.31Å; C190-S193 WeakPolarHBondContact O-CB 3.03Å; C190-S193 PolarHBondContact O-N 3.4Å; C190-E194 PolarHBondContact O-N 3.36Å
191L98.1Very high97.2Very high0 Ų017.8 Ų17.80%010%0.098CC..Hα-helixtrans-57.7-46.6177.5175.965.9000111.5I87 L107 V110 I127 P129 I132 A187 S193 E194 M195I87-L191 HydrophobicContact CG2-CD1 4.4Å; L107-L191 HydrophobicContact CD2-CD2 4.43Å; V110-L191 HydrophobicContact CG1-CD2 4.35Å; V110-L191 HydrophobicContact CG2-CD2 4.38Å; I127-L191 HydrophobicContact CG2-CD2 4.23Å; P129-L191 HydrophobicContact CB-CD1 4.43Å; P129-L191 HydrophobicContact CG-CD1 3.83Å; I132-L191 HydrophobicContact CD1-CD2 4.33Å; I132-L191 HydrophobicContact CG1-CD2 4.07Å; A187-L191 WeakPolarHBondContact O-CB 3.17Å; A187-L191 PolarHBondContact O-N 3.17Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 3.39Å; L191-E194 PolarHBondContact O-N 2.74Å; L191-M195 HydrophobicContact CD1-CG 4.1Å; L191-M195 HydrophobicContact CD1-SD 4.35Å; L191-M195 HydrophobicContact CG-CG 4.41Å; L191-M195 HydrophobicContact CG-SD 4.34Å; L191-M195 WeakPolarHBondContact O-CB 3.46Å; L191-M195 VanDerWaalsContact O-CG 3.28Å; L191-M195 WeakPolarHBondContact O-CG 3.41Å; L191-M195 PolarHBondContact O-N 3.48Å
192A98.4Very high97.3Very high0 Ų013.6 Ų13.60%08%0.083CC..Hα-helixtrans-61.4-37.1177.900000112.6L107 I188 C190 L196 F263 I264L107-A192 HydrophobicContact CD1-CB 3.58Å; L107-A192 HydrophobicContact CD2-CB 3.82Å; L107-A192 HydrophobicContact CG-CB 4.35Å; I188-A192 WeakPolarHBondContact O-CB 3.27Å; I188-A192 PolarHBondContact O-N 2.89Å; C190-A192 PolarHBondContact O-N 3.31Å; A192-L196 VanDerWaalsContact O-CD1 3.28Å; A192-L196 WeakPolarHBondContact O-CD1 3.08Å; A192-L196 VanDerWaalsContact O-CG 3.25Å; A192-L196 WeakPolarHBondContact O-CG 3.1Å; A192-F263 HydrophobicContact CB-CE1 4.19Å; A192-I264 HydrophobicContact CB-CD1 4.07Å; A192-I264 HydrophobicContact CB-CG1 3.8Å
193S98Very high97.2Very high2 Ų214 Ų141%0.0149%0.086CC..Hα-helixtrans-66.8-51.5174.6-178.10000111.7G189 C190 L191 M195 L196 T197G189-S193 PolarHBondContact O-N 2.61Å; G189-S193 VanDerWaalsContact O-N 3.16Å; C190-S193 WeakPolarHBondContact O-CB 3.03Å; C190-S193 PolarHBondContact O-N 3.4Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 3.39Å; S193-M195 PolarHBondContact O-N 3.21Å; S193-L196 PolarHBondContact O-N 2.88Å; S193-T197 PolarHBondContact O-N 3.47Å; S193-T197 PolarHBondContact O-OG1 2.96Å; S193-T197 VanDerWaalsContact O-OG1 3.07Å
194E97.6Very high97.1Very high10 Ų1013.8 Ų13.85%0.0478%0.084CC..Hα-helixtrans-62.8-40.9-177.7-179.7177.8-149.600112.1L91 P129 Y167 C190 L191 L196 T197 G198 D199L91-E194 HydrophobicContact CD1-CG 3.93Å; L91-E194 HydrophobicContact CD2-CG 4.43Å; L91-E194 WeakPolarHBondContact CD2-O 3.5Å; P129-E194 WeakPolarHBondContact CG-OE2 3.25Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.1Å; Y167-E194 PolarHBondContact OH-OE1 3.24Å; Y167-E194 PolarHBondContact OH-OE2 3.11Å; C190-E194 PolarHBondContact O-N 3.36Å; L191-E194 PolarHBondContact O-N 2.74Å; E194-L196 PolarHBondContact O-N 2.97Å; E194-T197 PolarHBondContact O-N 2.78Å; E194-T197 PolarHBondContact O-OG1 2.79Å; E194-G198 PolarHBondContact O-N 2.89Å; E194-D199 WeakPolarHBondContact CA-O 3.41Å
195M98Very high96.8Very high0 Ų019.7 Ų19.70%012%0.116CC..Hα-helixtrans-56.1-31.6172.4-77.6-165.976.200113I87 G97 I98 T103 T106 L191 S193I87-M195 HydrophobicContact CD1-CE 4.22Å; I87-M195 HydrophobicContact CG2-CE 4.03Å; I87-M195 HydrophobicContact CG2-CG 3.91Å; I87-M195 HydrophobicContact CG2-SD 3.97Å; G97-M195 WeakPolarHBondContact CA-O 3.07Å; I98-M195 WeakPolarHBondContact CA-O 3.26Å; I98-M195 WeakPolarHBondContact CB-O 3.5Å; I98-M195 HydrophobicContact CD1-CE 3.65Å; I98-M195 HydrophobicContact CD1-CG 4.46Å; I98-M195 HydrophobicContact CG2-CE 4.42Å; I98-M195 PolarHBondContact N-O 3.25Å; T103-M195 HydrophobicContact CG2-CB 3.71Å; T103-M195 HydrophobicContact CG2-CE 4.28Å; T103-M195 HydrophobicContact CG2-SD 4.14Å; T106-M195 HydrophobicContact CG2-CE 3.79Å; T106-M195 HydrophobicContact CG2-SD 3.76Å; L191-M195 HydrophobicContact CD1-CG 4.1Å; L191-M195 HydrophobicContact CD1-SD 4.35Å; L191-M195 HydrophobicContact CG-CG 4.41Å; L191-M195 HydrophobicContact CG-SD 4.34Å; L191-M195 WeakPolarHBondContact O-CB 3.46Å; L191-M195 VanDerWaalsContact O-CG 3.28Å; L191-M195 WeakPolarHBondContact O-CG 3.41Å; L191-M195 PolarHBondContact O-N 3.48Å; S193-M195 PolarHBondContact O-N 3.21Å
196L97.5Very high96.5Very high23 Ų2321.8 Ų21.812%0.1213%0.131CC..Hα-helixtrans-92.9-14.3-177.8-64.2167.2000114.1E100 T103 A192 S193 E194 V256 T260 I264E100-L196 HydrophobicContact CB-CD2 4.24Å; E100-L196 HydrophobicContact CG-CD2 4.17Å; T103-L196 HydrophobicContact CG2-CD2 3.88Å; T103-L196 HydrophobicContact CG2-CG 4.01Å; A192-L196 VanDerWaalsContact O-CD1 3.28Å; A192-L196 WeakPolarHBondContact O-CD1 3.08Å; A192-L196 VanDerWaalsContact O-CG 3.25Å; A192-L196 WeakPolarHBondContact O-CG 3.1Å; S193-L196 PolarHBondContact O-N 2.88Å; E194-L196 PolarHBondContact O-N 2.97Å; L196-V256 HydrophobicContact CB-CG2 4.01Å; L196-V256 HydrophobicContact CD1-CG1 3.8Å; L196-V256 HydrophobicContact CD1-CG2 3.93Å; L196-V256 HydrophobicContact CG-CG2 4.49Å; L196-T260 HydrophobicContact CD1-CG2 3.53Å; L196-I264 HydrophobicContact CD1-CD1 3.87Å
197T96.1Very high96.1Very high34 Ų3423.3 Ų23.321%0.20914%0.139CC..Hα-helixtrans-110.7-31.2-177.152.50000113.6N96 G97 S193 E194 D199 L253N96-T197 CarbonylContact C-O 3.5Å; G97-T197 PolarHBondContact N-O 3.05Å; S193-T197 PolarHBondContact O-N 3.47Å; S193-T197 PolarHBondContact O-OG1 2.96Å; S193-T197 VanDerWaalsContact O-OG1 3.07Å; E194-T197 PolarHBondContact O-N 2.78Å; E194-T197 PolarHBondContact O-OG1 2.79Å; T197-D199 PolarHBondContact OG1-N 3.43Å; T197-D199 VanDerWaalsContact OG1-N 3.08Å; T197-D199 PolarHBondContact OG1-O 2.72Å; T197-L253 HydrophobicContact CG2-CD2 3.56Å
198G95.5Very high95.9Very high21 Ų2124.9 Ų24.922%0.21615%0.146CC..SBendtrans83.3-8.8-162.700000113.5E194E194-G198 PolarHBondContact O-N 2.89Å
199D94.3Very high95.7Very high103 Ų10326.6 Ų26.655%0.55116%0.155SC*.SBendtrans-115.8130.3-174.5-78.9-54.3000111.5E194 T197 L201E194-D199 WeakPolarHBondContact CA-O 3.41Å; T197-D199 PolarHBondContact OG1-N 3.43Å; T197-D199 VanDerWaalsContact OG1-N 3.08Å; T197-D199 PolarHBondContact OG1-O 2.72Å; D199-L201 PolarHBondContact O-N 2.83Å
200P95.5Very high95.6Very high31 Ų3126.6 Ų26.620%0.20116%0.155CC..  trans-61.7128.4174.825-34.6000111.3W166 F202 P203W166-P200 HydrophobicContact CD2-CB 4.43Å; W166-P200 HydrophobicContact CE3-CB 3.61Å; W166-P200 HydrophobicContact CE3-CG 3.92Å; W166-P200 HydrophobicContact CH2-CG 4.41Å; W166-P200 HydrophobicContact CZ3-CB 3.92Å; W166-P200 HydrophobicContact CZ3-CG 3.71Å; P200-F202 PolarHBondContact O-N 2.93Å; P200-P203 HydrophobicContact CB-CB 4.38Å; P200-P203 HydrophobicContact CG-CB 3.97Å; P200-P203 HydrophobicContact CG-CG 4.4Å; P200-P203 WeakPolarHBondContact O-CD 3.14Å
201L96.8Very high95.5Very high13 Ų1326.5 Ų26.57%0.06816%0.155CC..SBendtrans-62.3-37.7-170.8177.460.1000114.3D199 L249 R252 L268D199-L201 PolarHBondContact O-N 2.83Å; L201-L249 HydrophobicContact CD1-CD1 3.67Å; L201-L249 HydrophobicContact CD2-CD1 4.04Å; L201-R252 PolarHBondContact O-NH1 2.97Å; L201-L268 HydrophobicContact CD2-CD1 3.4Å; L201-L268 VanDerWaalsContact CD2-CD1 3.4Å
202F97.1Very high95.4Very high1 Ų130.8 Ų30.80%0.00418%0.175CC..  trans-134.178.3-178-58.2-52.5000110.9W166 W186 P200 G204 Q210 R213 I214 C217 L218W166-F202 WeakPolarHBondContact CA-O 3.47Å; W166-F202 WeakPolarHBondContact CB-O 3.49Å; W186-F202 HydrophobicContact CH2-CE2 4.45Å; W186-F202 HydrophobicContact CZ2-CD2 4.3Å; W186-F202 AromaticContact CZ2-CE2 3.93Å; W186-F202 HydrophobicContact CZ2-CE2 3.93Å; P200-F202 PolarHBondContact O-N 2.93Å; F202-G204 PolarHBondContact O-N 2.91Å; F202-G204 VanDerWaalsContact O-N 3.1Å; F202-Q210 PolarHBondContact O-NE2 2.9Å; F202-Q210 PolarHBondContact O-OE1 3.32Å; F202-R213 HydrophobicContact CD1-CB 4.29Å; F202-I214 HydrophobicContact CB-CG1 4.47Å; F202-I214 HydrophobicContact CD1-CG1 4.24Å; F202-I214 HydrophobicContact CD2-CG1 3.84Å; F202-I214 HydrophobicContact CE1-CG1 4.48Å; F202-I214 HydrophobicContact CE2-CG1 4.08Å; F202-I214 HydrophobicContact CG-CG1 3.93Å; F202-I214 HydrophobicContact CZ-CG1 4.41Å; F202-C217 HydrophobicContact CE1-CB 3.67Å; F202-C217 HydrophobicContact CZ-CB 4.22Å; F202-L218 HydrophobicContact CE2-CD1 4.05Å; F202-L218 HydrophobicContact CZ-CD1 3.67Å; F202-L218 HydrophobicContact CZ-CG 4.12Å
203P94.8Very high95.3Very high42 Ų4234.5 Ų34.527%0.27319%0.188SC..  trans-8873.6-175.131.9-28.3000111.4W166 P200 R213W166-P203 HydrophobicContact CD2-CB 4.13Å; W166-P203 HydrophobicContact CH2-CB 4.48Å; W166-P203 HydrophobicContact CZ2-CB 4.08Å; P200-P203 HydrophobicContact CB-CB 4.38Å; P200-P203 HydrophobicContact CG-CB 3.97Å; P200-P203 HydrophobicContact CG-CG 4.4Å; P200-P203 WeakPolarHBondContact O-CD 3.14Å; P203-R213 PolarHBondContact O-NE 2.95Å; P203-R213 PolarHBondContact O-NH1 3.49Å; P203-R213 PolarHBondContact O-NH2 3.07Å
204G94.5Very high95.3Very high0 Ų034.4 Ų34.40%019%0.188CC..  trans-80.8136.3-17800000114.9R165 W166 F202 D209R165-G204 WeakPolarHBondContact CD-O 3.28Å; R165-G204 WeakPolarHBondContact CG-O 3.43Å; R165-G204 PolarHBondContact NH1-O 2.89Å; W166-G204 VanDerWaalsContact CD1-N 3.3Å; W166-G204 PolarHBondContact NE1-O 3.28Å; F202-G204 PolarHBondContact O-N 2.91Å; F202-G204 VanDerWaalsContact O-N 3.1Å; G204-D209 VanDerWaalsContact CA-OD2 3.3Å; G204-D209 WeakPolarHBondContact CA-OD2 3.21Å
205D90.9Very high95.3Very high125 Ų12534 Ų3467%0.66819%0.186SC*.SBendtrans-80.8-24179.1-70.4-62.2000113.1R165 D209 R213R165-D205 PolarHBondContact NH1-O 2.99Å; D205-D209 PolarHBondContact N-OD2 2.86Å; D205-R213 IonicContact OD2-NH2 3.88Å; D205-R213 PolarHBondContact OD2-NH2 2.87Å; D205-R213 VanDerWaalsContact OD2-NH2 3.14Å
206S90.7Very high95.2Very high45 Ų4541.5 Ų41.532%0.31522%0.215SC..SBendtrans-143.5165.5173.761.30000110R165 I208 D209 Q210R165-S206 VanDerWaalsContact CD-C 3.47Å; R165-S206 WeakPolarHBondContact CD-O 3.34Å; R165-S206 VanDerWaalsContact NE-C 3.35Å; S206-I208 VanDerWaalsContact C-N 3.28Å; S206-I208 PolarHBondContact O-N 3.24Å; S206-I208 VanDerWaalsContact OG-CG2 3.28Å; S206-I208 WeakPolarHBondContact OG-CG2 3.4Å; S206-D209 PolarHBondContact O-N 3.29Å; S206-D209 VanDerWaalsContact O-N 3.16Å; S206-D209 WeakPolarHBondContact OG-CB 3.49Å; S206-D209 PolarHBondContact OG-N 2.9Å; S206-Q210 WeakPolarHBondContact O-CB 3.16Å; S206-Q210 PolarHBondContact O-N 2.9Å
207D91.3Very high95.1Very high32 Ų3240.6 Ų40.617%0.17121%0.21CC..Hα-helixtrans-69-28.9-177.2-68.352.9000111.8R165 R168 L173 Q210 L211R165-D207 IonicContact CZ-OD1 2.88Å; R165-D207 IonicContact NE-OD1 2.94Å; R165-D207 PolarHBondContact NE-OD1 3.09Å; R165-D207 IonicContact NH2-OD1 2.7Å; R165-D207 PolarHBondContact NH2-OD1 2.78Å; R168-D207 IonicContact CZ-OD2 2.73Å; R168-D207 IonicContact NE-OD2 3.14Å; R168-D207 IonicContact NH1-OD1 3.34Å; R168-D207 IonicContact NH1-OD2 3.47Å; R168-D207 PolarHBondContact NH1-OD2 3.47Å; L173-D207 HydrophobicContact CD2-CB 3.89Å; L173-D207 VanDerWaalsContact CD2-OD2 3.3Å; L173-D207 WeakPolarHBondContact CD2-OD2 3.34Å; D207-Q210 WeakPolarHBondContact O-CB 3.5Å; D207-L211 WeakPolarHBondContact O-CG 3.42Å; D207-L211 PolarHBondContact O-N 3.3Å
208I93.9Very high95.2Very high38 Ų3841 Ų4120%0.19521%0.211CC..Hα-helixtrans-69.6-38.2169.7-174.363.3000112.5S206 L211 H212 F229 M238 P241S206-I208 VanDerWaalsContact C-N 3.28Å; S206-I208 PolarHBondContact O-N 3.24Å; S206-I208 VanDerWaalsContact OG-CG2 3.28Å; S206-I208 WeakPolarHBondContact OG-CG2 3.4Å; I208-L211 PolarHBondContact O-N 3.29Å; I208-H212 PolarHBondContact O-N 2.7Å; I208-H212 PolarHBondContact O-ND1 3.35Å; I208-F229 HydrophobicContact CD1-CE2 3.78Å; I208-F229 HydrophobicContact CD1-CZ 3.73Å; I208-M238 HydrophobicContact CB-SD 4.18Å; I208-M238 HydrophobicContact CD1-SD 4.35Å; I208-M238 HydrophobicContact CG1-SD 4.03Å; I208-M238 HydrophobicContact CG2-SD 4.36Å; I208-P241 HydrophobicContact CD1-CG 3.58Å
209D94.4Very high95.1Very high37 Ų3740.5 Ų40.520%0.19821%0.205CC..Hα-helixtrans-70.8-37.1173.9172.744.8000111.8G204 D205 S206 L211 H212 R213G204-D209 VanDerWaalsContact CA-OD2 3.3Å; G204-D209 WeakPolarHBondContact CA-OD2 3.21Å; D205-D209 PolarHBondContact N-OD2 2.86Å; S206-D209 PolarHBondContact O-N 3.29Å; S206-D209 VanDerWaalsContact O-N 3.16Å; S206-D209 WeakPolarHBondContact OG-CB 3.49Å; S206-D209 PolarHBondContact OG-N 2.9Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 2.92Å; D209-H212 WeakPolarHBondContact O-CB 3.35Å; D209-H212 PolarHBondContact O-N 2.88Å; D209-H212 VanDerWaalsContact O-N 3.16Å; D209-R213 WeakPolarHBondContact O-CG 3.33Å; D209-R213 PolarHBondContact O-N 3.39Å; D209-R213 IonicContact OD1-CZ 3.65Å; D209-R213 IonicContact OD1-NE 3.98Å; D209-R213 PolarHBondContact OD1-NE 3.26Å; D209-R213 IonicContact OD1-NH2 2.88Å; D209-R213 PolarHBondContact OD1-NH2 3.12Å; D209-R213 IonicContact OD2-CZ 3.84Å; D209-R213 VanDerWaalsContact OD2-CZ 3.23Å; D209-R213 IonicContact OD2-NE 3.68Å; D209-R213 PolarHBondContact OD2-NE 3.28Å; D209-R213 IonicContact OD2-NH2 2.68Å; D209-R213 PolarHBondContact OD2-NH2 3.18Å
210Q95.7Very high95.2Very high0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-56-48.5171.4-170.46927.300111R165 W166 L173 F202 S206 D207 R213 I214R165-Q210 HydrophobicContact CG-CB 4.42Å; R165-Q210 HydrophobicContact CG-CG 4.34Å; W166-Q210 PolarHBondContact O-NE2 3.19Å; L173-Q210 HydrophobicContact CD1-CB 4.15Å; L173-Q210 HydrophobicContact CD1-CG 3.47Å; L173-Q210 VanDerWaalsContact CD1-CG 3.47Å; L173-Q210 HydrophobicContact CD2-CB 4.06Å; L173-Q210 HydrophobicContact CD2-CG 3.83Å; L173-Q210 HydrophobicContact CG-CG 4.32Å; F202-Q210 PolarHBondContact O-NE2 2.9Å; F202-Q210 PolarHBondContact O-OE1 3.32Å; S206-Q210 WeakPolarHBondContact O-CB 3.16Å; S206-Q210 PolarHBondContact O-N 2.9Å; D207-Q210 WeakPolarHBondContact O-CB 3.5Å; Q210-R213 PolarHBondContact O-N 2.8Å; Q210-I214 HydrophobicContact CG-CD1 4.17Å; Q210-I214 VanDerWaalsContact O-CG1 3.29Å; Q210-I214 WeakPolarHBondContact O-CG1 3.26Å; Q210-I214 PolarHBondContact O-N 2.98Å
211L96.6Very high95.3Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-61.8-41.5174.4-73170.6000112.5L173 V174 D207 I208 D209 R213 I214 V215 L221 F229 P241L173-L211 HydrophobicContact CB-CD1 4.15Å; L173-L211 HydrophobicContact CB-CD2 3.62Å; L173-L211 HydrophobicContact CB-CG 3.77Å; L173-L211 HydrophobicContact CD1-CD2 3.94Å; L173-L211 HydrophobicContact CD1-CG 4.2Å; L173-L211 HydrophobicContact CG-CD2 4.43Å; V174-L211 HydrophobicContact CG1-CD1 4.13Å; V174-L211 HydrophobicContact CG1-CD2 4.22Å; D207-L211 WeakPolarHBondContact O-CG 3.42Å; D207-L211 PolarHBondContact O-N 3.3Å; I208-L211 PolarHBondContact O-N 3.29Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 2.92Å; L211-R213 PolarHBondContact O-N 3.22Å; L211-I214 PolarHBondContact O-N 2.98Å; L211-V215 WeakPolarHBondContact O-CB 3.17Å; L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 3.46Å; L211-L221 HydrophobicContact CD2-CD1 4.23Å; L211-L221 HydrophobicContact CD2-CD2 4.24Å; L211-F229 HydrophobicContact CD1-CD2 4.1Å; L211-F229 HydrophobicContact CD1-CE2 4.03Å; L211-P241 HydrophobicContact CB-CB 4.45Å; L211-P241 HydrophobicContact CB-CG 3.79Å
212H95.9Very high95.2Very high90 Ų9037.6 Ų37.642%0.41719%0.19SC..Hα-helixtrans-60.2-42.3174.5-80.191000112.6I208 D209 R216 P241I208-H212 PolarHBondContact O-N 2.7Å; I208-H212 PolarHBondContact O-ND1 3.35Å; D209-H212 WeakPolarHBondContact O-CB 3.35Å; D209-H212 PolarHBondContact O-N 2.88Å; D209-H212 VanDerWaalsContact O-N 3.16Å; H212-R216 VanDerWaalsContact O-CB 3.22Å; H212-R216 WeakPolarHBondContact O-CB 3.32Å; H212-R216 PolarHBondContact O-N 3.44Å; H212-P241 HydrophobicContact CB-CB 4.45Å
213R96.4Very high95.2Very high77 Ų7744.4 Ų44.429%0.29122%0.222SC..Hα-helixtrans-68.1-37.7179.7-68.9175.1-165.5-134.217.5112.4F202 P203 D205 D209 Q210 L211F202-R213 HydrophobicContact CD1-CB 4.29Å; P203-R213 PolarHBondContact O-NE 2.95Å; P203-R213 PolarHBondContact O-NH1 3.49Å; P203-R213 PolarHBondContact O-NH2 3.07Å; D205-R213 IonicContact OD2-NH2 3.88Å; D205-R213 PolarHBondContact OD2-NH2 2.87Å; D205-R213 VanDerWaalsContact OD2-NH2 3.14Å; D209-R213 WeakPolarHBondContact O-CG 3.33Å; D209-R213 PolarHBondContact O-N 3.39Å; D209-R213 IonicContact OD1-CZ 3.65Å; D209-R213 IonicContact OD1-NE 3.98Å; D209-R213 PolarHBondContact OD1-NE 3.26Å; D209-R213 IonicContact OD1-NH2 2.88Å; D209-R213 PolarHBondContact OD1-NH2 3.12Å; D209-R213 IonicContact OD2-CZ 3.84Å; D209-R213 VanDerWaalsContact OD2-CZ 3.23Å; D209-R213 IonicContact OD2-NE 3.68Å; D209-R213 PolarHBondContact OD2-NE 3.28Å; D209-R213 IonicContact OD2-NH2 2.68Å; D209-R213 PolarHBondContact OD2-NH2 3.18Å; Q210-R213 PolarHBondContact O-N 2.8Å; L211-R213 PolarHBondContact O-N 3.22Å
214I97.6Very high95.2Very high0 Ų046.6 Ų46.60%023%0.227CC..Hα-helixtrans-63.2-56172.3-71.5167.6000110.2P170 L173 W186 F202 Q210 L211 R216 C217 L218 I270P170-I214 HydrophobicContact CG-CG2 4.34Å; L173-I214 HydrophobicContact CD1-CD1 3.53Å; W186-I214 HydrophobicContact CH2-CD1 4.45Å; W186-I214 HydrophobicContact CH2-CG1 4.42Å; W186-I214 HydrophobicContact CH2-CG2 3.8Å; W186-I214 HydrophobicContact CZ2-CD1 3.73Å; W186-I214 HydrophobicContact CZ2-CG1 3.9Å; W186-I214 HydrophobicContact CZ2-CG2 4.13Å; F202-I214 HydrophobicContact CB-CG1 4.47Å; F202-I214 HydrophobicContact CD1-CG1 4.24Å; F202-I214 HydrophobicContact CD2-CG1 3.84Å; F202-I214 HydrophobicContact CE1-CG1 4.48Å; F202-I214 HydrophobicContact CE2-CG1 4.08Å; F202-I214 HydrophobicContact CG-CG1 3.93Å; F202-I214 HydrophobicContact CZ-CG1 4.41Å; Q210-I214 HydrophobicContact CG-CD1 4.17Å; Q210-I214 VanDerWaalsContact O-CG1 3.29Å; Q210-I214 WeakPolarHBondContact O-CG1 3.26Å; Q210-I214 PolarHBondContact O-N 2.98Å; L211-I214 PolarHBondContact O-N 2.98Å; I214-R216 VanDerWaalsContact C-N 3.3Å; I214-R216 PolarHBondContact O-N 2.89Å; I214-C217 PolarHBondContact O-N 2.95Å; I214-L218 HydrophobicContact CG2-CD1 4.44Å; I214-L218 PolarHBondContact O-N 2.88Å; I214-I270 HydrophobicContact CG2-CD1 3.86Å
215V97.1Very high95.3Very high2 Ų246.6 Ų46.61%0.01223%0.227CC..Hα-helixtrans-61.2-38.8-175.5163.90000112L211 C217 G219 N220 L221 P241 A243L211-V215 WeakPolarHBondContact O-CB 3.17Å; L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 3.46Å; V215-C217 PolarHBondContact O-N 3.13Å; V215-G219 VanDerWaalsContact CA-O 3.3Å; V215-G219 WeakPolarHBondContact CA-O 3.42Å; V215-G219 CarbonylContact O-C 3.58Å; V215-G219 WeakPolarHBondContact O-CA 3.08Å; V215-G219 PolarHBondContact O-N 3.04Å; V215-N220 WeakPolarHBondContact CG1-OD1 3.34Å; V215-L221 HydrophobicContact CG2-CD2 3.84Å; V215-L221 HydrophobicContact CG2-CG 3.79Å; V215-P241 HydrophobicContact CB-CB 4.47Å; V215-P241 HydrophobicContact CG2-CB 4.35Å; V215-A243 HydrophobicContact CG1-CB 3.75Å
216R96.1Very high95.5Very high158 Ų15843.8 Ų43.860%0.59621%0.21SC*.Hα-helixtrans-64.1-21.6175.4-171.5171.9-175.3177.53.6113.8H212 I214 I246 D247H212-R216 VanDerWaalsContact O-CB 3.22Å; H212-R216 WeakPolarHBondContact O-CB 3.32Å; H212-R216 PolarHBondContact O-N 3.44Å; I214-R216 VanDerWaalsContact C-N 3.3Å; I214-R216 PolarHBondContact O-N 2.89Å; R216-I246 CarbonylContact O-C 3.57Å; R216-I246 WeakPolarHBondContact O-CA 3.41Å; R216-D247 HydrophobicContact CG-CB 4.44Å; R216-D247 PolarHBondContact O-N 2.57Å
217C96.5Very high95.7Very high3 Ų344.7 Ų44.72%0.0221%0.211CC..Hα-helixtrans-106-32.3-176.1-167.70000113.8F202 I214 V215 I246 D247F202-C217 HydrophobicContact CE1-CB 3.67Å; F202-C217 HydrophobicContact CZ-CB 4.22Å; I214-C217 PolarHBondContact O-N 2.95Å; V215-C217 PolarHBondContact O-N 3.13Å; C217-I246 WeakPolarHBondContact O-CG2 3.38Å; C217-D247 WeakPolarHBondContact CA-O 3.47Å; C217-D247 PolarHBondContact SG-O 3.15Å
218L96.8Very high95.8Very high44 Ų4444.9 Ų44.923%0.2321%0.212CC..Hα-helixtrans-118-7-170.6-62.7172.8000113.8W186 F202 I214 L249 L268 I270W186-L218 HydrophobicContact CH2-CD1 3.53Å; W186-L218 HydrophobicContact CZ2-CD1 4.39Å; W186-L218 HydrophobicContact CZ3-CD1 4.05Å; F202-L218 HydrophobicContact CE2-CD1 4.05Å; F202-L218 HydrophobicContact CZ-CD1 3.67Å; F202-L218 HydrophobicContact CZ-CG 4.12Å; I214-L218 HydrophobicContact CG2-CD1 4.44Å; I214-L218 PolarHBondContact O-N 2.88Å; L218-L249 HydrophobicContact CD2-CB 4.44Å; L218-L268 HydrophobicContact CD1-CB 4.03Å; L218-L268 HydrophobicContact CD2-CB 4.44Å; L218-I270 HydrophobicContact CB-CD1 3.87Å; L218-I270 HydrophobicContact CB-CG1 4.38Å; L218-I270 HydrophobicContact CD1-CD1 4.47Å
219G95.3Very high95.9Very high10 Ų1043.1 Ų43.110%0.10320%0.203CC..  trans101.5172.3-177.800000113.6V215V215-G219 VanDerWaalsContact CA-O 3.3Å; V215-G219 WeakPolarHBondContact CA-O 3.42Å; V215-G219 CarbonylContact O-C 3.58Å; V215-G219 WeakPolarHBondContact O-CA 3.08Å; V215-G219 PolarHBondContact O-N 3.04Å
220N96.4Very high95.9Very high58 Ų5847.3 Ų47.331%0.3122%0.221SC..PPolyproline II helixtrans-65152.4-174.5-63.8-47000112.6V215 F242 A243V215-N220 WeakPolarHBondContact CG1-OD1 3.34Å; N220-F242 VanDerWaalsContact ND2-CE2 3.34Å; N220-F242 WeakPolarHBondContact ND2-CE2 3.38Å; N220-F242 WeakPolarHBondContact OD1-CA 3.2Å; N220-A243 PolarHBondContact OD1-N 3.47Å
221L96.6Very high95.7Very high4 Ų457.1 Ų57.12%0.02126%0.258CS..PPolyproline II helixtrans-61.4144.7175.7-59.6-179.4000111P170 V174 L211 V215 Q226 V240P170-L221 HydrophobicContact CB-CD2 4.24Å; V174-L221 HydrophobicContact CG1-CD1 3.98Å; L211-L221 HydrophobicContact CD2-CD1 4.23Å; L211-L221 HydrophobicContact CD2-CD2 4.24Å; V215-L221 HydrophobicContact CG2-CD2 3.84Å; V215-L221 HydrophobicContact CG2-CG 3.79Å; L221-Q226 HydrophobicContact CB-CG 4.07Å; L221-Q226 PolarHBondContact O-NE2 3.33Å; L221-V240 HydrophobicContact CD1-CG1 4.39Å
222S95.6Very high95.4Very high24 Ų2458.3 Ų58.317%0.16826%0.264CS..PPolyproline II helixtrans-65155.6173.167.20000112K224 Y225 Q226 D271S222-K224 PolarHBondContact O-N 3.2Å; S222-K224 VanDerWaalsContact O-N 3.12Å; S222-Y225 PolarHBondContact O-N 2.83Å; S222-Y225 WeakPolarHBondContact OG-CD2 3.48Å; S222-Q226 WeakPolarHBondContact O-CG 3.46Å; S222-Q226 PolarHBondContact O-N 3.41Å; S222-D271 VanDerWaalsContact CB-OD1 3.23Å; S222-D271 WeakPolarHBondContact CB-OD1 3.29Å; S222-D271 WeakPolarHBondContact CB-OD2 3.24Å; S222-D271 PolarHBondContact OG-OD1 2.96Å; S222-D271 PolarHBondContact OG-OD2 3.08Å
223E95.7Very high95.1Very high143 Ų14359.1 Ų59.167%0.66828%0.277SS*.Hα-helixtrans-54.8-36.1-176-157.8-150.5130.600112.2Y225 Q226 N227E223-Y225 PolarHBondContact O-N 3.42Å; E223-Q226 PolarHBondContact O-N 3.1Å; E223-N227 VanDerWaalsContact O-CB 3.29Å; E223-N227 WeakPolarHBondContact O-CB 3.17Å; E223-N227 PolarHBondContact O-N 3.37Å; E223-N227 PolarHBondContact O-ND2 2.83Å; E223-N227 VanDerWaalsContact O-ND2 3.16Å; E223-N227 PolarHBondContact OE1-ND2 3.37Å
224K95.2Very high94.6Very high88 Ų8860.8 Ų60.838%0.38329%0.292SS..Hα-helixtrans-52.2-53.6171.8-174.4-155.1-179-163.40111.5D176 S222 N227 I228D176-K224 VanDerWaalsContact OD2-CE 3.28Å; D176-K224 WeakPolarHBondContact OD2-CE 3.28Å; D176-K224 IonicContact OD2-NZ 3.92Å; D176-K224 PolarHBondContact OD2-NZ 3.07Å; S222-K224 PolarHBondContact O-N 3.2Å; S222-K224 VanDerWaalsContact O-N 3.12Å; K224-N227 PolarHBondContact O-N 3.39Å; K224-I228 HydrophobicContact CG-CD1 4.13Å; K224-I228 VanDerWaalsContact O-CG1 3.29Å; K224-I228 WeakPolarHBondContact O-CG1 3.36Å; K224-I228 PolarHBondContact O-N 2.9Å
225Y96.1Very high94.2Very high1 Ų161.6 Ų61.60%0.00430%0.295CS..Hα-helixtrans-73.3-31.9-177.9-62.1-44.5000112.6P170 E171 V174 S222 E223 I228 F229 I270 A272P170-Y225 HydrophobicContact CB-CD2 4.49Å; P170-Y225 HydrophobicContact CB-CE2 4.44Å; E171-Y225 HydrophobicContact CB-CD1 4.43Å; E171-Y225 HydrophobicContact CB-CE1 3.53Å; V174-Y225 HydrophobicContact CG2-CD1 3.8Å; V174-Y225 HydrophobicContact CG2-CG 4.3Å; S222-Y225 PolarHBondContact O-N 2.83Å; S222-Y225 WeakPolarHBondContact OG-CD2 3.48Å; E223-Y225 PolarHBondContact O-N 3.42Å; Y225-I228 HydrophobicContact CD1-CD1 4.42Å; Y225-I228 PolarHBondContact O-N 3.31Å; Y225-F229 WeakPolarHBondContact O-CB 3.32Å; Y225-F229 PolarHBondContact O-N 3.18Å; Y225-I270 HydrophobicContact CD2-CG2 4.21Å; Y225-I270 HydrophobicContact CE2-CG2 4.27Å; Y225-I270 WeakPolarHBondContact CE2-O 3.48Å; Y225-A272 WeakPolarHBondContact OH-CB 3.45Å; Y225-A272 PolarHBondContact OH-N 3.19Å; Y225-A272 VanDerWaalsContact OH-N 3.12Å
226Q96.2Very high93.8Very high66 Ų6667.3 Ų67.331%0.30833%0.33SS..Hα-helixtrans-62.8-44.2170.8-59.5-170.438.200111.4L221 S222 E223 I228 F229 H230 V240L221-Q226 HydrophobicContact CB-CG 4.07Å; L221-Q226 PolarHBondContact O-NE2 3.33Å; S222-Q226 WeakPolarHBondContact O-CG 3.46Å; S222-Q226 PolarHBondContact O-N 3.41Å; E223-Q226 PolarHBondContact O-N 3.1Å; Q226-I228 VanDerWaalsContact C-N 3.33Å; Q226-I228 PolarHBondContact O-N 2.7Å; Q226-F229 PolarHBondContact O-N 3.2Å; Q226-H230 PolarHBondContact O-N 3.12Å; Q226-H230 VanDerWaalsContact O-N 3.09Å; Q226-H230 PolarHBondContact O-ND1 2.75Å; Q226-V240 HydrophobicContact CB-CG2 4.48Å; Q226-V240 HydrophobicContact CG-CG1 4.06Å
227N95Very high93.4Very high63 Ų6363.8 Ų63.834%0.33734%0.342SS..Hα-helixtrans-66.2-32.7177.3-78.9-39000112.6E223 K224 R231E223-N227 VanDerWaalsContact O-CB 3.29Å; E223-N227 WeakPolarHBondContact O-CB 3.17Å; E223-N227 PolarHBondContact O-N 3.37Å; E223-N227 PolarHBondContact O-ND2 2.83Å; E223-N227 VanDerWaalsContact O-ND2 3.16Å; E223-N227 PolarHBondContact OE1-ND2 3.37Å; K224-N227 PolarHBondContact O-N 3.39Å; N227-R231 VanDerWaalsContact O-CD 3.31Å; N227-R231 WeakPolarHBondContact O-CD 3.5Å; N227-R231 WeakPolarHBondContact O-CG 3.25Å
228I93.9Very high93.2Very high37 Ų3767.7 Ų67.719%0.1936%0.361CS..Hα-helixtrans-72-45.8173.4-67.8165.9000110.7V174 D176 K224 Y225 Q226 H230 R231 N232V174-I228 HydrophobicContact CB-CG2 4.23Å; V174-I228 HydrophobicContact CG2-CB 4.16Å; V174-I228 HydrophobicContact CG2-CG2 3.8Å; D176-I228 HydrophobicContact CB-CD1 3.82Å; K224-I228 HydrophobicContact CG-CD1 4.13Å; K224-I228 VanDerWaalsContact O-CG1 3.29Å; K224-I228 WeakPolarHBondContact O-CG1 3.36Å; K224-I228 PolarHBondContact O-N 2.9Å; Y225-I228 HydrophobicContact CD1-CD1 4.42Å; Y225-I228 PolarHBondContact O-N 3.31Å; Q226-I228 VanDerWaalsContact C-N 3.33Å; Q226-I228 PolarHBondContact O-N 2.7Å; I228-H230 PolarHBondContact O-N 2.64Å; I228-R231 PolarHBondContact O-N 2.64Å; I228-N232 PolarHBondContact O-N 3.38Å; I228-N232 VanDerWaalsContact O-N 3.09Å
229F94.9Very high93Very high1 Ų176.1 Ų76.10%0.00439%0.39CS..Hα-helixtrans-55.4-49.3178.1-178-81000112V174 I208 L211 Y225 Q226 R231 N232 F235 M238 V240V174-F229 HydrophobicContact CB-CB 4.37Å; V174-F229 HydrophobicContact CG1-CB 4.24Å; V174-F229 HydrophobicContact CG1-CD2 4.3Å; I208-F229 HydrophobicContact CD1-CE2 3.78Å; I208-F229 HydrophobicContact CD1-CZ 3.73Å; L211-F229 HydrophobicContact CD1-CD2 4.1Å; L211-F229 HydrophobicContact CD1-CE2 4.03Å; Y225-F229 WeakPolarHBondContact O-CB 3.32Å; Y225-F229 PolarHBondContact O-N 3.18Å; Q226-F229 PolarHBondContact O-N 3.2Å; F229-R231 PolarHBondContact O-N 3Å; F229-N232 PolarHBondContact O-N 3.31Å; F229-F235 HydrophobicContact CD1-CB 4.09Å; F229-F235 HydrophobicContact CD1-CG 4.48Å; F229-F235 HydrophobicContact CD2-CB 4.28Å; F229-F235 HydrophobicContact CD2-CD1 4.34Å; F229-F235 AromaticContact CD2-CD2 3.51Å; F229-F235 HydrophobicContact CD2-CD2 3.51Å; F229-F235 AromaticContact CD2-CE2 3.9Å; F229-F235 HydrophobicContact CD2-CE2 3.9Å; F229-F235 AromaticContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CZ 4.47Å; F229-F235 HydrophobicContact CE1-CB 3.75Å; F229-F235 HydrophobicContact CE1-CG 4.2Å; F229-F235 HydrophobicContact CE2-CB 3.95Å; F229-F235 AromaticContact CE2-CD1 3.62Å; F229-F235 HydrophobicContact CE2-CD1 3.62Å; F229-F235 AromaticContact CE2-CD2 3.66Å; F229-F235 HydrophobicContact CE2-CD2 3.66Å; F229-F235 HydrophobicContact CE2-CE1 4.02Å; F229-F235 HydrophobicContact CE2-CE2 4.06Å; F229-F235 AromaticContact CE2-CG 3.45Å; F229-F235 HydrophobicContact CE2-CG 3.45Å; F229-F235 VanDerWaalsContact CE2-CG 3.45Å; F229-F235 HydrophobicContact CE2-CZ 4.23Å; F229-F235 HydrophobicContact CG-CB 4.35Å; F229-F235 HydrophobicContact CG-CD2 4.04Å; F229-F235 HydrophobicContact CG-CG 4.3Å; F229-F235 HydrophobicContact CZ-CB 3.68Å; F229-F235 AromaticContact CZ-CD1 3.88Å; F229-F235 HydrophobicContact CZ-CD1 3.88Å; F229-F235 HydrophobicContact CZ-CD2 4.3Å; F229-F235 AromaticContact CZ-CG 3.69Å; F229-F235 HydrophobicContact CZ-CG 3.69Å; F229-M238 HydrophobicContact CE1-CB 4.39Å; F229-M238 HydrophobicContact CZ-CB 4.11Å; F229-V240 HydrophobicContact CB-CG2 4.22Å; F229-V240 HydrophobicContact CD1-CB 4.36Å; F229-V240 HydrophobicContact CD1-CG2 3.39Å; F229-V240 HydrophobicContact CE1-CB 4.47Å; F229-V240 HydrophobicContact CE1-CG2 3.91Å; F229-V240 HydrophobicContact CG-CG2 3.93Å
230H93.7Very high92.8Very high125 Ų12576.9 Ų76.958%0.57939%0.393SS*.Hα-helixtrans-64.6-21178.7-70.8107.8000114.3Q226 I228 V240Q226-H230 PolarHBondContact O-N 3.12Å; Q226-H230 VanDerWaalsContact O-N 3.09Å; Q226-H230 PolarHBondContact O-ND1 2.75Å; I228-H230 PolarHBondContact O-N 2.64Å; H230-V240 WeakPolarHBondContact CE1-CG2 3.33Å
231R92.5Very high92.7Very high205 Ų20574.2 Ų74.277%0.77438%0.379SS*.Hα-helixtrans-95.7-10.1179.5-68.6174-172.1-170.52.8113.3N227 I228 F229 P233N227-R231 VanDerWaalsContact O-CD 3.31Å; N227-R231 WeakPolarHBondContact O-CD 3.5Å; N227-R231 WeakPolarHBondContact O-CG 3.25Å; I228-R231 PolarHBondContact O-N 2.64Å; F229-R231 PolarHBondContact O-N 3Å; R231-P233 WeakPolarHBondContact O-CD 3.28Å
232N89.8Confident92.5Very high25 Ų2580.7 Ų80.713%0.13441%0.407CS..  trans-83.7120.9-177.4-177.6-15.9000110.2V174 I228 F229 L234 F235V174-N232 PolarHBondContact O-ND2 2.78Å; I228-N232 PolarHBondContact O-N 3.38Å; I228-N232 VanDerWaalsContact O-N 3.09Å; F229-N232 PolarHBondContact O-N 3.31Å; N232-L234 PolarHBondContact O-N 3.3Å; N232-L234 WeakPolarHBondContact OD1-CB 3.49Å; N232-L234 WeakPolarHBondContact OD1-CG 3.39Å; N232-L234 PolarHBondContact OD1-N 3.15Å; N232-F235 HydrophobicContact CB-CD2 3.96Å; N232-F235 PolarHBondContact O-N 3.44Å
233P90.1Very high92.3Very high107 Ų10780.3 Ų80.370%0.69541%0.405SS*.G310 helixtrans-53.9-28.3178.7-28.336.6000114.6R231 F235 V236R231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-F235 PolarHBondContact O-N 3.48Å; P233-V236 WeakPolarHBondContact O-CG2 3.5Å; P233-V236 PolarHBondContact O-N 2.57Å
234L85.9Confident92.1Very high112 Ų11282.8 Ų82.859%0.58641%0.414SS*.G310 helixtrans-67.3-16.5179-59.4176.7000113.8N232 M238N232-L234 PolarHBondContact O-N 3.3Å; N232-L234 WeakPolarHBondContact OD1-CB 3.49Å; N232-L234 WeakPolarHBondContact OD1-CG 3.39Å; N232-L234 PolarHBondContact OD1-N 3.15Å; L234-M238 VanDerWaalsContact O-CE 3.29Å; L234-M238 WeakPolarHBondContact O-CE 3.35Å
235F89.7Confident91.9Very high18 Ų1886.4 Ų86.48%0.07943%0.432CS..G310 helixtrans-115.312.6-177.8-60.7-54.6000113.9L173 F229 N232 P233 G237 M238L173-F235 VanDerWaalsContact O-CE2 3.31Å; L173-F235 WeakPolarHBondContact O-CE2 3.25Å; L173-F235 VanDerWaalsContact O-CZ 3.24Å; L173-F235 WeakPolarHBondContact O-CZ 3.46Å; F229-F235 HydrophobicContact CD1-CB 4.09Å; F229-F235 HydrophobicContact CD1-CG 4.48Å; F229-F235 HydrophobicContact CD2-CB 4.28Å; F229-F235 HydrophobicContact CD2-CD1 4.34Å; F229-F235 AromaticContact CD2-CD2 3.51Å; F229-F235 HydrophobicContact CD2-CD2 3.51Å; F229-F235 AromaticContact CD2-CE2 3.9Å; F229-F235 HydrophobicContact CD2-CE2 3.9Å; F229-F235 AromaticContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CZ 4.47Å; F229-F235 HydrophobicContact CE1-CB 3.75Å; F229-F235 HydrophobicContact CE1-CG 4.2Å; F229-F235 HydrophobicContact CE2-CB 3.95Å; F229-F235 AromaticContact CE2-CD1 3.62Å; F229-F235 HydrophobicContact CE2-CD1 3.62Å; F229-F235 AromaticContact CE2-CD2 3.66Å; F229-F235 HydrophobicContact CE2-CD2 3.66Å; F229-F235 HydrophobicContact CE2-CE1 4.02Å; F229-F235 HydrophobicContact CE2-CE2 4.06Å; F229-F235 AromaticContact CE2-CG 3.45Å; F229-F235 HydrophobicContact CE2-CG 3.45Å; F229-F235 VanDerWaalsContact CE2-CG 3.45Å; F229-F235 HydrophobicContact CE2-CZ 4.23Å; F229-F235 HydrophobicContact CG-CB 4.35Å; F229-F235 HydrophobicContact CG-CD2 4.04Å; F229-F235 HydrophobicContact CG-CG 4.3Å; F229-F235 HydrophobicContact CZ-CB 3.68Å; F229-F235 AromaticContact CZ-CD1 3.88Å; F229-F235 HydrophobicContact CZ-CD1 3.88Å; F229-F235 HydrophobicContact CZ-CD2 4.3Å; F229-F235 AromaticContact CZ-CG 3.69Å; F229-F235 HydrophobicContact CZ-CG 3.69Å; N232-F235 HydrophobicContact CB-CD2 3.96Å; N232-F235 PolarHBondContact O-N 3.44Å; P233-F235 PolarHBondContact O-N 3.48Å; F235-G237 PolarHBondContact O-N 3.34Å; F235-M238 HydrophobicContact CD1-CE 4.08Å; F235-M238 HydrophobicContact CD1-SD 3.83Å; F235-M238 WeakPolarHBondContact O-CB 3.31Å; F235-M238 PolarHBondContact O-N 3.43Å
236V87.5Confident91.8Very high121 Ų12190.8 Ų90.873%0.73345%0.454SS*.THydrogen-bonded Turntrans-56.5129.2175.1172.70000110.5P233 M238P233-V236 WeakPolarHBondContact O-CG2 3.5Å; P233-V236 PolarHBondContact O-N 2.57Å; V236-M238 PolarHBondContact O-N 3.37Å
237G89.1Confident91.6Very high84 Ų8489.2 Ų89.287%0.86645%0.448SS*.THydrogen-bonded Turntrans78.9-11.5-176.200000115.3F235F235-G237 PolarHBondContact O-N 3.34Å
238M91.1Very high91.5Very high85 Ų8588.8 Ų88.842%0.41945%0.449SS..PPolyproline II helixtrans-83.1155.6172-57.1-167.1-144.300111.2I208 F229 L234 F235 V236I208-M238 HydrophobicContact CB-SD 4.18Å; I208-M238 HydrophobicContact CD1-SD 4.35Å; I208-M238 HydrophobicContact CG1-SD 4.03Å; I208-M238 HydrophobicContact CG2-SD 4.36Å; F229-M238 HydrophobicContact CE1-CB 4.39Å; F229-M238 HydrophobicContact CZ-CB 4.11Å; L234-M238 VanDerWaalsContact O-CE 3.29Å; L234-M238 WeakPolarHBondContact O-CE 3.35Å; F235-M238 HydrophobicContact CD1-CE 4.08Å; F235-M238 HydrophobicContact CD1-SD 3.83Å; F235-M238 WeakPolarHBondContact O-CB 3.31Å; F235-M238 PolarHBondContact O-N 3.43Å; V236-M238 PolarHBondContact O-N 3.37Å
239R92Very high91.5Very high222 Ų22287.2 Ų87.284%0.83844%0.441SS*.PPolyproline II helixtrans-96.6144.3170.8-63.3-178.2-177.91790.4109.5
240V92.4Very high91.5Very high25 Ų2590.5 Ų90.515%0.15246%0.458CS..PPolyproline II helixtrans-54.4130.2168.1171.80000109.2L221 Q226 F229 H230 F242L221-V240 HydrophobicContact CD1-CG1 4.39Å; Q226-V240 HydrophobicContact CB-CG2 4.48Å; Q226-V240 HydrophobicContact CG-CG1 4.06Å; F229-V240 HydrophobicContact CB-CG2 4.22Å; F229-V240 HydrophobicContact CD1-CB 4.36Å; F229-V240 HydrophobicContact CD1-CG2 3.39Å; F229-V240 HydrophobicContact CE1-CB 4.47Å; F229-V240 HydrophobicContact CE1-CG2 3.91Å; F229-V240 HydrophobicContact CG-CG2 3.93Å; H230-V240 WeakPolarHBondContact CE1-CG2 3.33Å; V240-F242 PolarHBondContact O-N 3.11Å
241P93.1Very high91.4Very high2 Ų291.3 Ų91.31%0.01346%0.46CS..PPolyproline II helixtrans-58.8129.1174.3-29.139.5000111.9I208 L211 H212 V215I208-P241 HydrophobicContact CD1-CG 3.58Å; L211-P241 HydrophobicContact CB-CB 4.45Å; L211-P241 HydrophobicContact CB-CG 3.79Å; H212-P241 HydrophobicContact CB-CB 4.45Å; V215-P241 HydrophobicContact CB-CB 4.47Å; V215-P241 HydrophobicContact CG2-CB 4.35Å
242F93.8Very high91.2Very high141 Ų14185.8 Ų85.862%0.61844%0.439SS*.  trans-134.2128-176.1-175.4-85.1000111.3N220 V240 K244N220-F242 VanDerWaalsContact ND2-CE2 3.34Å; N220-F242 WeakPolarHBondContact ND2-CE2 3.38Å; N220-F242 WeakPolarHBondContact OD1-CA 3.2Å; V240-F242 PolarHBondContact O-N 3.11Å; F242-K244 HydrophobicContact CD1-CG 4.22Å; F242-K244 HydrophobicContact CE1-CG 3.89Å
243A91.8Very high91.4Very high15 Ų1584.7 Ų84.712%0.12443%0.433CS..  trans-99.3118.8174.200000110.8V215 N220 I246V215-A243 HydrophobicContact CG1-CB 3.75Å; N220-A243 PolarHBondContact OD1-N 3.47Å; A243-I246 HydrophobicContact CB-CG1 4.4Å
244K90.9Very high91.5Very high196 Ų19683.4 Ų83.485%0.85243%0.432SS*.SBendtrans-77.1-36.4164-71.1-175.4175.9-173.40112F242F242-K244 HydrophobicContact CD1-CG 4.22Å; F242-K244 HydrophobicContact CE1-CG 3.89Å
245E91.1Very high91.7Very high164 Ų16487.7 Ų87.777%0.76645%0.446SS*.SBendtrans-122.5132.7177.6-68.7174.2-165.700108.5
246I93.1Very high91.9Very high93 Ų9388 Ų8848%0.47745%0.449SS..  trans-100.3136.7177.8-60.9173.4000108.6R216 C217 A243 P248R216-I246 CarbonylContact O-C 3.57Å; R216-I246 WeakPolarHBondContact O-CA 3.41Å; C217-I246 WeakPolarHBondContact O-CG2 3.38Å; A243-I246 HydrophobicContact CB-CG1 4.4Å; I246-P248 WeakPolarHBondContact O-CD 3.46Å
247D92.4Very high92.2Very high32 Ų3284.2 Ų84.217%0.17143%0.428CS..  trans-101.781.7171.4179.459.2000108.2R216 C217 K251 R252R216-D247 HydrophobicContact CG-CB 4.44Å; R216-D247 PolarHBondContact O-N 2.57Å; C217-D247 WeakPolarHBondContact CA-O 3.47Å; C217-D247 PolarHBondContact SG-O 3.15Å; D247-K251 WeakPolarHBondContact OD1-CD 3.5Å; D247-K251 WeakPolarHBondContact OD1-CE 3.5Å; D247-K251 IonicContact OD1-NZ 3.52Å; D247-K251 PolarHBondContact OD1-NZ 2.88Å; D247-R252 IonicContact OD2-CZ 3.45Å; D247-R252 VanDerWaalsContact OD2-CZ 3.27Å; D247-R252 IonicContact OD2-NE 2.8Å; D247-R252 PolarHBondContact OD2-NE 2.8Å; D247-R252 IonicContact OD2-NH2 2.76Å; D247-R252 PolarHBondContact OD2-NH2 2.98Å
248P93.4Very high92.6Very high55 Ų5589.4 Ų89.436%0.35743%0.427SS..  trans-65.3147.7-161.126.8-36.9000112.4I246 D250 K251I246-P248 WeakPolarHBondContact O-CD 3.46Å; P248-D250 PolarHBondContact O-N 2.74Å; P248-K251 HydrophobicContact CG-CB 4.36Å; P248-K251 WeakPolarHBondContact O-CB 3.49Å; P248-K251 PolarHBondContact O-N 2.96Å
249L94.2Very high92.8Very high3 Ų386.8 Ų86.82%0.01641%0.414CS..Hα-helixtrans-50.9-35.6179.3-173.666.4000113.1L201 L218 K251 R252 L253 L261 I264 K265 L268L201-L249 HydrophobicContact CD1-CD1 3.67Å; L201-L249 HydrophobicContact CD2-CD1 4.04Å; L218-L249 HydrophobicContact CD2-CB 4.44Å; L249-K251 PolarHBondContact O-N 2.93Å; L249-R252 PolarHBondContact O-N 2.93Å; L249-L253 HydrophobicContact CD1-CD1 3.84Å; L249-L253 HydrophobicContact CD1-CG 4.08Å; L249-L253 HydrophobicContact CD2-CD1 4.26Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.31Å; L249-L253 PolarHBondContact O-N 3.13Å; L249-L261 HydrophobicContact CD2-CD1 4.1Å; L249-L261 HydrophobicContact CG-CD1 4.08Å; L249-I264 HydrophobicContact CD2-CG2 3.83Å; L249-K265 HydrophobicContact CD2-CG 4.05Å; L249-L268 HydrophobicContact CD2-CD1 4.16Å
250D94.5Very high93.1Very high71 Ų7176.2 Ų76.238%0.3837%0.374SS..Hα-helixtrans-52.7-36.9175.1-54.1-108.7000113.6P248 L253 A254 L261 K265P248-D250 PolarHBondContact O-N 2.74Å; D250-L253 CarbonylContact O-C 3.15Å; D250-A254 VanDerWaalsContact O-CA 3.28Å; D250-A254 WeakPolarHBondContact O-CA 3.33Å; D250-A254 WeakPolarHBondContact O-CB 3.29Å; D250-A254 PolarHBondContact O-N 3.26Å; D250-A254 VanDerWaalsContact O-N 3.11Å; D250-L261 HydrophobicContact CB-CD2 4.24Å; D250-K265 IonicContact OD1-NZ 3.56Å; D250-K265 PolarHBondContact OD1-NZ 3.27Å; D250-K265 WeakPolarHBondContact OD2-CE 3.49Å; D250-K265 IonicContact OD2-NZ 3.53Å; D250-K265 PolarHBondContact OD2-NZ 3.22Å
251K91.9Very high93.3Very high141 Ų14176 Ų7661%0.61337%0.372SS*.Hα-helixtrans-76-31.2-179.8178.6-176.5162.3-155.40111.7D247 P248 L249D247-K251 WeakPolarHBondContact OD1-CD 3.5Å; D247-K251 WeakPolarHBondContact OD1-CE 3.5Å; D247-K251 IonicContact OD1-NZ 3.52Å; D247-K251 PolarHBondContact OD1-NZ 2.88Å; P248-K251 HydrophobicContact CG-CB 4.36Å; P248-K251 WeakPolarHBondContact O-CB 3.49Å; P248-K251 PolarHBondContact O-N 2.96Å; L249-K251 PolarHBondContact O-N 2.93Å
252R87.9Confident93.5Very high89 Ų8977.4 Ų77.434%0.33639%0.387SS..Hα-helixtrans-76.9-40.9175.9-60.3-174.8178.6-169.40.9111.4L201 D247 L249L201-R252 PolarHBondContact O-NH1 2.97Å; D247-R252 IonicContact OD2-CZ 3.45Å; D247-R252 VanDerWaalsContact OD2-CZ 3.27Å; D247-R252 IonicContact OD2-NE 2.8Å; D247-R252 PolarHBondContact OD2-NE 2.8Å; D247-R252 IonicContact OD2-NH2 2.76Å; D247-R252 PolarHBondContact OD2-NH2 2.98Å; L249-R252 PolarHBondContact O-N 2.93Å
253L93.2Very high93.8Very high2 Ų271 Ų711%0.0136%0.359CS..SBendtrans-98.428.2-179.4-61.1-174.7000113T197 L249 D250 K255 V256 L261 I264T197-L253 HydrophobicContact CG2-CD2 3.56Å; L249-L253 HydrophobicContact CD1-CD1 3.84Å; L249-L253 HydrophobicContact CD1-CG 4.08Å; L249-L253 HydrophobicContact CD2-CD1 4.26Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.31Å; L249-L253 PolarHBondContact O-N 3.13Å; D250-L253 CarbonylContact O-C 3.15Å; L253-K255 PolarHBondContact O-N 3.39Å; L253-V256 HydrophobicContact CB-CB 4.25Å; L253-V256 HydrophobicContact CB-CG2 4.05Å; L253-V256 HydrophobicContact CD2-CG2 4.21Å; L253-V256 WeakPolarHBondContact O-CB 3.45Å; L253-V256 PolarHBondContact O-N 3.11Å; L253-L261 HydrophobicContact CB-CD1 4.1Å; L253-L261 HydrophobicContact CD1-CD1 4.06Å; L253-I264 HydrophobicContact CD1-CD1 3.68Å; L253-I264 HydrophobicContact CD1-CG2 4.34Å
254A91.7Very high94.1Very high80 Ų8070.3 Ų70.366%0.66135%0.353SS*.THydrogen-bonded Turntrans-62.3-11.9-173.800000115.3D250D250-A254 VanDerWaalsContact O-CA 3.28Å; D250-A254 WeakPolarHBondContact O-CA 3.33Å; D250-A254 WeakPolarHBondContact O-CB 3.29Å; D250-A254 PolarHBondContact O-N 3.26Å; D250-A254 VanDerWaalsContact O-N 3.11Å
255K90Very high94.4Very high203 Ų20364.6 Ų64.688%0.88333%0.329SS*.THydrogen-bonded Turntrans-92.3-15.9174.4-60.1179.2-173.8169.60113.9L253L253-K255 PolarHBondContact O-N 3.39Å
256V93.7Very high94.7Very high23 Ų2359.2 Ų59.214%0.13931%0.307CS..SBendtrans-84.4147.7-171.3175.80000110.3L196 L253 T260L196-V256 HydrophobicContact CB-CG2 4.01Å; L196-V256 HydrophobicContact CD1-CG1 3.8Å; L196-V256 HydrophobicContact CD1-CG2 3.93Å; L196-V256 HydrophobicContact CG-CG2 4.49Å; L253-V256 HydrophobicContact CB-CB 4.25Å; L253-V256 HydrophobicContact CB-CG2 4.05Å; L253-V256 HydrophobicContact CD2-CG2 4.21Å; L253-V256 WeakPolarHBondContact O-CB 3.45Å; L253-V256 PolarHBondContact O-N 3.11Å; V256-T260 HydrophobicContact CG1-CG2 3.59Å
257S95.8Very high95Very high42 Ų4254.8 Ų54.829%0.29428%0.284SS..  trans-61.3148.8177.189.60000112.6E100 L259 T260 L261E100-S257 WeakPolarHBondContact OE1-CB 3.17Å; E100-S257 PolarHBondContact OE1-OG 3.46Å; E100-S257 PolarHBondContact OE2-N 3.5Å; E100-S257 VanDerWaalsContact OE2-N 3.11Å; S257-L259 PolarHBondContact O-N 3.16Å; S257-L259 VanDerWaalsContact O-N 3.15Å; S257-T260 PolarHBondContact O-N 3.07Å; S257-T260 VanDerWaalsContact O-N 3.13Å; S257-T260 PolarHBondContact OG-N 3.47Å; S257-T260 PolarHBondContact OG-OG1 2.96Å; S257-L261 PolarHBondContact O-N 3.48Å
258K96.1Very high95.3Very high194 Ų19453.5 Ų53.584%0.84328%0.277SS*.Hα-helixtrans-57-31.4-180-67.5-174.6179.4-178.90113.2G262K258-G262 PolarHBondContact O-N 3Å
259L96.4Very high95.5Very high29 Ų2957 Ų5715%0.15228%0.284CS..Hα-helixtrans-69.7-45.5178.7-179.857.6000111.1S257 G262 F263 E285 Y286 R289S257-L259 PolarHBondContact O-N 3.16Å; S257-L259 VanDerWaalsContact O-N 3.15Å; L259-G262 PolarHBondContact O-N 3.19Å; L259-F263 PolarHBondContact O-N 3.2Å; L259-E285 HydrophobicContact CD1-CB 3.91Å; L259-E285 HydrophobicContact CD1-CG 3.91Å; L259-Y286 HydrophobicContact CD2-CD2 4.47Å; L259-Y286 HydrophobicContact CG-CD2 4.18Å; L259-R289 HydrophobicContact CD2-CB 4.38Å; L259-R289 VanDerWaalsContact CD2-NH1 3.32Å
260T97.5Very high95.6Very high1 Ų157.9 Ų57.91%0.00629%0.288CS..Hα-helixtrans-69.9-39.2178.6-59.10000111.7E100 L196 V256 S257 G262 F263 I264 Y286E100-T260 HydrophobicContact CG-CG2 4.36Å; E100-T260 WeakPolarHBondContact OE1-CB 3.31Å; E100-T260 PolarHBondContact OE1-OG1 3.03Å; L196-T260 HydrophobicContact CD1-CG2 3.53Å; V256-T260 HydrophobicContact CG1-CG2 3.59Å; S257-T260 PolarHBondContact O-N 3.07Å; S257-T260 VanDerWaalsContact O-N 3.13Å; S257-T260 PolarHBondContact OG-N 3.47Å; S257-T260 PolarHBondContact OG-OG1 2.96Å; T260-G262 VanDerWaalsContact C-N 3.32Å; T260-G262 PolarHBondContact O-N 3.24Å; T260-F263 WeakPolarHBondContact O-CB 3.48Å; T260-F263 PolarHBondContact O-N 3.18Å; T260-I264 HydrophobicContact CG2-CD1 4.27Å; T260-I264 VanDerWaalsContact O-CG1 3.31Å; T260-I264 WeakPolarHBondContact O-CG1 3.34Å; T260-I264 PolarHBondContact O-N 3.04Å; T260-Y286 HydrophobicContact CG2-CE2 4.18Å; T260-Y286 WeakPolarHBondContact OG1-CE2 3.42Å
261L97.6Very high95.7Very high20 Ų2056.7 Ų56.711%0.10528%0.281CS..Hα-helixtrans-61.2-39.7169.6177.357.6000111.9L249 D250 L253 S257 I264 K265L249-L261 HydrophobicContact CD2-CD1 4.1Å; L249-L261 HydrophobicContact CG-CD1 4.08Å; D250-L261 HydrophobicContact CB-CD2 4.24Å; L253-L261 HydrophobicContact CB-CD1 4.1Å; L253-L261 HydrophobicContact CD1-CD1 4.06Å; S257-L261 PolarHBondContact O-N 3.48Å; L261-I264 PolarHBondContact O-N 2.98Å; L261-K265 HydrophobicContact CD1-CD 4.47Å; L261-K265 HydrophobicContact CD1-CG 4.42Å; L261-K265 HydrophobicContact CG-CD 4.45Å; L261-K265 WeakPolarHBondContact O-CB 3.45Å; L261-K265 WeakPolarHBondContact O-CG 3.33Å; L261-K265 PolarHBondContact O-N 3.44Å
262G97.4Very high96Very high32 Ų3250.4 Ų50.433%0.3326%0.256SS..Hα-helixtrans-60-48.5172.800000112.4K258 L259 T260 I264 K265 T266K258-G262 PolarHBondContact O-N 3Å; L259-G262 PolarHBondContact O-N 3.19Å; T260-G262 VanDerWaalsContact C-N 3.32Å; T260-G262 PolarHBondContact O-N 3.24Å; G262-I264 PolarHBondContact O-N 2.88Å; G262-K265 WeakPolarHBondContact O-CB 3.14Å; G262-K265 PolarHBondContact O-N 2.99Å; G262-T266 PolarHBondContact O-N 3.07Å; G262-T266 VanDerWaalsContact O-N 3.11Å
263F98.3Very high96.3Very high7 Ų753.2 Ų53.23%0.03128%0.277CS..Hα-helixtrans-54.9-52.7174168.7-92.6000111.7L107 I111 I188 A192 L259 T260 K265 T266 C267 L281 Y286 F287L107-F263 HydrophobicContact CD1-CE1 4.09Å; I111-F263 HydrophobicContact CD1-CE2 4.13Å; I111-F263 HydrophobicContact CD1-CZ 3.82Å; I188-F263 HydrophobicContact CG2-CZ 4.26Å; A192-F263 HydrophobicContact CB-CE1 4.19Å; L259-F263 PolarHBondContact O-N 3.2Å; T260-F263 WeakPolarHBondContact O-CB 3.48Å; T260-F263 PolarHBondContact O-N 3.18Å; F263-K265 VanDerWaalsContact C-N 3.28Å; F263-K265 PolarHBondContact O-N 3.23Å; F263-T266 PolarHBondContact O-N 3.38Å; F263-T266 PolarHBondContact O-OG1 2.95Å; F263-C267 PolarHBondContact O-N 3.29Å; F263-L281 HydrophobicContact CD2-CD2 4.15Å; F263-L281 HydrophobicContact CE2-CB 4.32Å; F263-L281 HydrophobicContact CE2-CD1 4.31Å; F263-L281 HydrophobicContact CE2-CD2 3.72Å; F263-L281 HydrophobicContact CE2-CG 4.35Å; F263-L281 HydrophobicContact CZ-CD1 4.44Å; F263-L281 HydrophobicContact CZ-CD2 4.47Å; F263-Y286 HydrophobicContact CB-CD1 3.93Å; F263-Y286 HydrophobicContact CB-CG 3.97Å; F263-Y286 AromaticContact CD1-CD1 3.89Å; F263-Y286 HydrophobicContact CD1-CD1 3.89Å; F263-Y286 AromaticContact CD1-CE1 3.85Å; F263-Y286 HydrophobicContact CD1-CE1 3.85Å; F263-Y286 AromaticContact CD2-CD1 3.38Å; F263-Y286 HydrophobicContact CD2-CD1 3.38Å; F263-Y286 HydrophobicContact CD2-CE1 4.15Å; F263-Y286 HydrophobicContact CD2-CG 4.05Å; F263-Y286 HydrophobicContact CE1-CD1 4.29Å; F263-Y286 HydrophobicContact CE1-CE1 4.09Å; F263-Y286 AromaticContact CE2-CD1 3.8Å; F263-Y286 HydrophobicContact CE2-CD1 3.8Å; F263-Y286 HydrophobicContact CE2-CE1 4.33Å; F263-Y286 AromaticContact CG-CD1 3.44Å; F263-Y286 HydrophobicContact CG-CD1 3.44Å; F263-Y286 VanDerWaalsContact CG-CD1 3.44Å; F263-Y286 AromaticContact CG-CE1 3.91Å; F263-Y286 HydrophobicContact CG-CE1 3.91Å; F263-Y286 AromaticContact CG-CG 4Å; F263-Y286 HydrophobicContact CG-CG 4Å; F263-Y286 HydrophobicContact CZ-CD1 4.26Å; F263-Y286 HydrophobicContact CZ-CE1 4.33Å; F263-F287 HydrophobicContact CD2-CE2 4.45Å; F263-F287 AromaticContact CE2-CE2 3.75Å; F263-F287 HydrophobicContact CE2-CE2 3.75Å; F263-F287 HydrophobicContact CE2-CZ 4.12Å; F263-F287 HydrophobicContact CZ-CE2 4.32Å; F263-F287 HydrophobicContact CZ-CZ 4.3Å
264I98.3Very high96.5Very high0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-59.9-39.3-179.7-63.2169.4000111A192 L196 L249 L253 T260 L261 G262 T266 C267 L268A192-I264 HydrophobicContact CB-CD1 4.07Å; A192-I264 HydrophobicContact CB-CG1 3.8Å; L196-I264 HydrophobicContact CD1-CD1 3.87Å; L249-I264 HydrophobicContact CD2-CG2 3.83Å; L253-I264 HydrophobicContact CD1-CD1 3.68Å; L253-I264 HydrophobicContact CD1-CG2 4.34Å; T260-I264 HydrophobicContact CG2-CD1 4.27Å; T260-I264 VanDerWaalsContact O-CG1 3.31Å; T260-I264 WeakPolarHBondContact O-CG1 3.34Å; T260-I264 PolarHBondContact O-N 3.04Å; L261-I264 PolarHBondContact O-N 2.98Å; G262-I264 PolarHBondContact O-N 2.88Å; I264-T266 VanDerWaalsContact C-N 3.31Å; I264-T266 PolarHBondContact O-N 3.13Å; I264-C267 WeakPolarHBondContact O-CB 3.22Å; I264-C267 PolarHBondContact O-N 3.39Å; I264-L268 HydrophobicContact CG2-CD1 3.68Å; I264-L268 HydrophobicContact CG2-CG 4.21Å; I264-L268 WeakPolarHBondContact O-CB 3.31Å; I264-L268 WeakPolarHBondContact O-CG 3.3Å; I264-L268 PolarHBondContact O-N 3.21Å
265K97.8Very high96.8Very high76 Ų7654.8 Ų54.833%0.3327%0.274SS..Hα-helixtrans-63.7-29174.5-77.3178.1171.2-1730114.2L249 D250 L261 G262 F263L249-K265 HydrophobicContact CD2-CG 4.05Å; D250-K265 IonicContact OD1-NZ 3.56Å; D250-K265 PolarHBondContact OD1-NZ 3.27Å; D250-K265 WeakPolarHBondContact OD2-CE 3.49Å; D250-K265 IonicContact OD2-NZ 3.53Å; D250-K265 PolarHBondContact OD2-NZ 3.22Å; L261-K265 HydrophobicContact CD1-CD 4.47Å; L261-K265 HydrophobicContact CD1-CG 4.42Å; L261-K265 HydrophobicContact CG-CD 4.45Å; L261-K265 WeakPolarHBondContact O-CB 3.45Å; L261-K265 WeakPolarHBondContact O-CG 3.33Å; L261-K265 PolarHBondContact O-N 3.44Å; G262-K265 WeakPolarHBondContact O-CB 3.14Å; G262-K265 PolarHBondContact O-N 2.99Å; F263-K265 VanDerWaalsContact C-N 3.28Å; F263-K265 PolarHBondContact O-N 3.23Å
266T98Very high97.2Very high50 Ų5046.6 Ų46.631%0.30724%0.242SC..Hα-helixtrans-72.7-36.1172.664.80000112G262 F263 I264 P276G262-T266 PolarHBondContact O-N 3.07Å; G262-T266 VanDerWaalsContact O-N 3.11Å; F263-T266 PolarHBondContact O-N 3.38Å; F263-T266 PolarHBondContact O-OG1 2.95Å; I264-T266 VanDerWaalsContact C-N 3.31Å; I264-T266 PolarHBondContact O-N 3.13Å; T266-P276 WeakPolarHBondContact O-CD 3.43Å
267C98.6Very high97.5Very high0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-69-38174.9-63.20000112.6I185 F263 I264 R269 R275I185-C267 HydrophobicContact CG2-CB 4.33Å; I185-C267 WeakPolarHBondContact O-CB 3.23Å; F263-C267 PolarHBondContact O-N 3.29Å; I264-C267 WeakPolarHBondContact O-CB 3.22Å; I264-C267 PolarHBondContact O-N 3.39Å; C267-R269 PolarHBondContact O-N 3.11Å; C267-R275 VanDerWaalsContact O-CD 3.32Å; C267-R275 WeakPolarHBondContact O-CD 3.49Å
268L98.4Very high97.6Very high6 Ų647.3 Ų47.33%0.03125%0.245CC..THydrogen-bonded Turntrans-95.737-174.3-62.4-178.5000114.2W186 L201 L218 L249 I264W186-L268 HydrophobicContact CD2-CD2 3.77Å; W186-L268 HydrophobicContact CE3-CD2 3.88Å; W186-L268 HydrophobicContact CG-CD2 4.26Å; W186-L268 HydrophobicContact CH2-CD2 4.4Å; W186-L268 HydrophobicContact CZ2-CD2 4.28Å; W186-L268 HydrophobicContact CZ3-CB 4.35Å; W186-L268 HydrophobicContact CZ3-CD2 4.21Å; L201-L268 HydrophobicContact CD2-CD1 3.4Å; L201-L268 VanDerWaalsContact CD2-CD1 3.4Å; L218-L268 HydrophobicContact CD1-CB 4.03Å; L218-L268 HydrophobicContact CD2-CB 4.44Å; L249-L268 HydrophobicContact CD2-CD1 4.16Å; I264-L268 HydrophobicContact CG2-CD1 3.68Å; I264-L268 HydrophobicContact CG2-CG 4.21Å; I264-L268 WeakPolarHBondContact O-CB 3.31Å; I264-L268 WeakPolarHBondContact O-CG 3.3Å; I264-L268 PolarHBondContact O-N 3.21Å
269R98Very high97.7Very high129 Ų12939.7 Ų39.749%0.48722%0.215SC..  trans-69.3137.1165.9-62.9-67-170.3168.82.3110W186 C267 D274 R275W186-R269 WeakPolarHBondContact CZ3-O 3.48Å; C267-R269 PolarHBondContact O-N 3.11Å; R269-D274 HydrophobicContact CB-CB 3.72Å; R269-D274 HydrophobicContact CG-CB 3.84Å; R269-R275 HydrophobicContact CB-CG 3.87Å; R269-R275 PolarHBondContact O-NE 3.22Å; R269-R275 PolarHBondContact O-NH2 3.4Å
270I97.3Very high97.8Very high21 Ų2139.8 Ų39.811%0.10822%0.221CC..SBendtrans-58.2-57.2178.4-67.8-63.2000109.8P170 W186 I214 L218 Y225 R275P170-I270 HydrophobicContact CG-CD1 4.47Å; W186-I270 HydrophobicContact CH2-CD1 4.46Å; I214-I270 HydrophobicContact CG2-CD1 3.86Å; L218-I270 HydrophobicContact CB-CD1 3.87Å; L218-I270 HydrophobicContact CB-CG1 4.38Å; L218-I270 HydrophobicContact CD1-CD1 4.47Å; Y225-I270 HydrophobicContact CD2-CG2 4.21Å; Y225-I270 HydrophobicContact CE2-CG2 4.27Å; Y225-I270 WeakPolarHBondContact CE2-O 3.48Å; I270-R275 PolarHBondContact O-NH2 2.99Å
271D96.4Very high97.8Very high45 Ų4539.9 Ų39.924%0.24122%0.221CC..SBendtrans-72.2130.2177-70.5-77.1000112.7S222 N273 D274S222-D271 VanDerWaalsContact CB-OD1 3.23Å; S222-D271 WeakPolarHBondContact CB-OD1 3.29Å; S222-D271 WeakPolarHBondContact CB-OD2 3.24Å; S222-D271 PolarHBondContact OG-OD1 2.96Å; S222-D271 PolarHBondContact OG-OD2 3.08Å; D271-N273 PolarHBondContact O-N 3.27Å; D271-D274 PolarHBondContact O-N 3.35Å
272A96.6Very high97.8Very high10 Ų1040 Ų408%0.08322%0.221CC..G310 helixtrans-58.7-29.2-179.900000113.6E171 P182 Y225E171-A272 WeakPolarHBondContact OE1-CB 3.31Å; P182-A272 HydrophobicContact CB-CB 3.93Å; P182-A272 VanDerWaalsContact CB-O 3.24Å; P182-A272 WeakPolarHBondContact CB-O 3.24Å; P182-A272 HydrophobicContact CG-CB 4.24Å; P182-A272 VanDerWaalsContact CG-O 3.22Å; P182-A272 WeakPolarHBondContact CG-O 3.41Å; Y225-A272 WeakPolarHBondContact OH-CB 3.45Å; Y225-A272 PolarHBondContact OH-N 3.19Å; Y225-A272 VanDerWaalsContact OH-N 3.12Å
273N95.8Very high97.8Very high147 Ų14747 Ų4779%0.78624%0.238SC*.G310 helixtrans-75.3-25.1-178.5-65.7-3.8000112.9D271 R275D271-N273 PolarHBondContact O-N 3.27Å; N273-R275 VanDerWaalsContact C-N 3.29Å
274D97.3Very high97.8Very high102 Ų10248.1 Ų48.155%0.54525%0.247SC..G310 helixtrans-82.2-10.6-179.2-68.86.5000112.3R269 D271R269-D274 HydrophobicContact CB-CB 3.72Å; R269-D274 HydrophobicContact CG-CB 3.84Å; D271-D274 PolarHBondContact O-N 3.35Å
275R98.2Very high97.8Very high13 Ų1353.7 Ų53.75%0.04927%0.273CS..SBendtrans-80.4133.3179.8-61-178.8-154137.415.1109.9E171 P182 I185 C267 R269 I270 N273E171-R275 IonicContact OE1-CZ 2.72Å; E171-R275 IonicContact OE1-NH1 3.51Å; E171-R275 PolarHBondContact OE1-NH1 2.6Å; E171-R275 IonicContact OE1-NH2 2.71Å; E171-R275 IonicContact OE2-CZ 3.62Å; E171-R275 IonicContact OE2-NH1 2.67Å; E171-R275 PolarHBondContact OE2-NH1 3.36Å; E171-R275 IonicContact OE2-NH2 3.22Å; E171-R275 PolarHBondContact OE2-NH2 3.18Å; P182-R275 HydrophobicContact CB-CB 4.33Å; P182-R275 PolarHBondContact O-NH1 2.87Å; I185-R275 HydrophobicContact CG2-CB 3.99Å; C267-R275 VanDerWaalsContact O-CD 3.32Å; C267-R275 WeakPolarHBondContact O-CD 3.49Å; R269-R275 HydrophobicContact CB-CG 3.87Å; R269-R275 PolarHBondContact O-NE 3.22Å; R269-R275 PolarHBondContact O-NH2 3.4Å; I270-R275 PolarHBondContact O-NH2 2.99Å; N273-R275 VanDerWaalsContact C-N 3.29Å
276P98.3Very high97.7Very high32 Ų3250.3 Ų50.321%0.20826%0.258CS..PPolyproline II helixtrans-64.6152.4177.728.9-35.9000111.5I185 T266 A280 L281I185-P276 WeakPolarHBondContact CG1-O 3.31Å; T266-P276 WeakPolarHBondContact O-CD 3.43Å; P276-A280 HydrophobicContact CB-CB 3.92Å; P276-L281 HydrophobicContact CB-CD2 4.14Å; P276-L281 HydrophobicContact CB-CG 4.36Å; P276-L281 HydrophobicContact CG-CD2 3.32Å; P276-L281 HydrophobicContact CG-CG 3.86Å
277T98.5Very high97.7Very high77 Ų7748 Ų4847%0.47224%0.244SC..PPolyproline II helixtrans-66.8159.4167.461.40000110.8S279 A280 L281T277-S279 PolarHBondContact O-N 2.73Å; T277-A280 CarbonylContact O-C 3.45Å; T277-A280 WeakPolarHBondContact O-CA 3.38Å; T277-A280 WeakPolarHBondContact O-CB 3.16Å; T277-A280 PolarHBondContact O-N 2.8Å; T277-A280 WeakPolarHBondContact OG1-CB 3.37Å; T277-A280 PolarHBondContact OG1-N 3.5Å; T277-L281 PolarHBondContact O-N 3.09Å
278S98.3Very high97.7Very high3 Ų351.1 Ų51.12%0.02126%0.263CS..Hα-helixtrans-53.6-42.2172.841.60000112.2I111 E115 H118 A280 L281 L282I111-S278 WeakPolarHBondContact CG2-O 3.36Å; E115-S278 WeakPolarHBondContact CA-OG 3.39Å; H118-S278 PolarHBondContact ND1-OG 3.22Å; S278-A280 VanDerWaalsContact C-N 3.28Å; S278-A280 PolarHBondContact O-N 3.04Å; S278-L281 WeakPolarHBondContact O-CB 3.47Å; S278-L281 PolarHBondContact O-N 3.18Å; S278-L282 PolarHBondContact O-N 3.18Å
279S98.2Very high97.5Very high33 Ų3356.1 Ų56.123%0.23128%0.281CS..Hα-helixtrans-65.4-23.8172.9-46.20000114.6E115 T277 R283E115-S279 WeakPolarHBondContact OE1-CA 3.29Å; E115-S279 WeakPolarHBondContact OE1-CB 3.39Å; E115-S279 PolarHBondContact OE1-OG 3.03Å; T277-S279 PolarHBondContact O-N 2.73Å; S279-R283 PolarHBondContact O-NE 2.96Å; S279-R283 PolarHBondContact O-NH2 3.04Å
280A98.3Very high97.4Very high32 Ų3256.3 Ų56.326%0.26429%0.288SS..Hα-helixtrans-83.1-37.1171.800000111.3P276 T277 S278 R283 S284P276-A280 HydrophobicContact CB-CB 3.92Å; T277-A280 CarbonylContact O-C 3.45Å; T277-A280 WeakPolarHBondContact O-CA 3.38Å; T277-A280 WeakPolarHBondContact O-CB 3.16Å; T277-A280 PolarHBondContact O-N 2.8Å; T277-A280 WeakPolarHBondContact OG1-CB 3.37Å; T277-A280 PolarHBondContact OG1-N 3.5Å; S278-A280 VanDerWaalsContact C-N 3.28Å; S278-A280 PolarHBondContact O-N 3.04Å; A280-R283 CarbonylContact O-C 3.53Å; A280-R283 PolarHBondContact O-N 3.37Å; A280-S284 PolarHBondContact O-N 3.47Å; A280-S284 VanDerWaalsContact O-N 3.12Å
281L98.4Very high97.2Very high2 Ų260.6 Ų60.61%0.0131%0.311CS..Hα-helixtrans-58.9-48.1173.1-72.8-175.4000112I111 I185 F263 P276 T277 S278 R283 S284 F287I111-L281 HydrophobicContact CD1-CB 4.33Å; I111-L281 HydrophobicContact CD1-CD1 4.2Å; I111-L281 HydrophobicContact CG1-CD1 4.37Å; I111-L281 HydrophobicContact CG2-CB 4.07Å; I111-L281 HydrophobicContact CG2-CD1 4.39Å; I185-L281 HydrophobicContact CD1-CD1 3.95Å; I185-L281 HydrophobicContact CG2-CD1 4.21Å; F263-L281 HydrophobicContact CD2-CD2 4.15Å; F263-L281 HydrophobicContact CE2-CB 4.32Å; F263-L281 HydrophobicContact CE2-CD1 4.31Å; F263-L281 HydrophobicContact CE2-CD2 3.72Å; F263-L281 HydrophobicContact CE2-CG 4.35Å; F263-L281 HydrophobicContact CZ-CD1 4.44Å; F263-L281 HydrophobicContact CZ-CD2 4.47Å; P276-L281 HydrophobicContact CB-CD2 4.14Å; P276-L281 HydrophobicContact CB-CG 4.36Å; P276-L281 HydrophobicContact CG-CD2 3.32Å; P276-L281 HydrophobicContact CG-CG 3.86Å; T277-L281 PolarHBondContact O-N 3.09Å; S278-L281 WeakPolarHBondContact O-CB 3.47Å; S278-L281 PolarHBondContact O-N 3.18Å; L281-R283 PolarHBondContact O-N 3.45Å; L281-S284 VanDerWaalsContact O-CB 3.25Å; L281-S284 WeakPolarHBondContact O-CB 3.29Å; L281-S284 PolarHBondContact O-N 3.4Å; L281-S284 PolarHBondContact O-OG 3.41Å; L281-F287 WeakPolarHBondContact O-CD2 3.39Å
282L98.1Very high97.3Very high22 Ų2259.6 Ų59.612%0.11530%0.304CS..THydrogen-bonded Turntrans-61.7-25.3179.4-70.2170.6000113.6F108 I111 R112 E115 S278F108-L282 HydrophobicContact CD2-CD2 3.63Å; F108-L282 HydrophobicContact CE2-CD2 3.76Å; F108-L282 HydrophobicContact CG-CD2 4.35Å; I111-L282 HydrophobicContact CB-CD2 3.98Å; I111-L282 HydrophobicContact CB-CG 4.28Å; I111-L282 HydrophobicContact CG2-CD1 4.18Å; I111-L282 HydrophobicContact CG2-CD2 3.93Å; I111-L282 HydrophobicContact CG2-CG 3.67Å; R112-L282 HydrophobicContact CG-CD1 4.16Å; R112-L282 HydrophobicContact CG-CD2 4.26Å; E115-L282 HydrophobicContact CB-CD1 4.36Å; E115-L282 WeakPolarHBondContact OE2-CD1 3.42Å; S278-L282 PolarHBondContact O-N 3.18Å
283R97.5Very high97.3Very high179 Ų17960.1 Ų60.168%0.67531%0.309SS*.THydrogen-bonded Turntrans-94.2-0.8176.2-68.9-179-67.6151.73114S279 A280 L281S279-R283 PolarHBondContact O-NE 2.96Å; S279-R283 PolarHBondContact O-NH2 3.04Å; A280-R283 CarbonylContact O-C 3.53Å; A280-R283 PolarHBondContact O-N 3.37Å; L281-R283 PolarHBondContact O-N 3.45Å
284S97.4Very high97.3Very high31 Ų3156.3 Ų56.322%0.21729%0.294CS..SBendtrans-65.5159.6179.168.40000112.3A280 L281 Y286 F287 T288A280-S284 PolarHBondContact O-N 3.47Å; A280-S284 VanDerWaalsContact O-N 3.12Å; L281-S284 VanDerWaalsContact O-CB 3.25Å; L281-S284 WeakPolarHBondContact O-CB 3.29Å; L281-S284 PolarHBondContact O-N 3.4Å; L281-S284 PolarHBondContact O-OG 3.41Å; S284-Y286 PolarHBondContact O-N 2.87Å; S284-Y286 VanDerWaalsContact O-N 3.1Å; S284-F287 PolarHBondContact O-N 3.44Å; S284-T288 PolarHBondContact O-N 3.5Å; S284-T288 VanDerWaalsContact O-N 3.09Å; S284-T288 PolarHBondContact O-OG1 3.36Å
285E97.5Very high97.3Very high118 Ų11856.5 Ų56.555%0.55129%0.294SS*.Hα-helixtrans-51.7-34.5174.5-169.7-162.7146.900111.3L259 F287 T288 R289L259-E285 HydrophobicContact CD1-CB 3.91Å; L259-E285 HydrophobicContact CD1-CG 3.91Å; E285-F287 VanDerWaalsContact C-N 3.33Å; E285-F287 PolarHBondContact O-N 3.25Å; E285-T288 VanDerWaalsContact CA-OG1 3.32Å; E285-T288 WeakPolarHBondContact CA-OG1 3.3Å; E285-T288 PolarHBondContact O-N 3.04Å; E285-R289 HydrophobicContact CG-CB 4.27Å; E285-R289 VanDerWaalsContact O-CB 3.26Å; E285-R289 WeakPolarHBondContact O-CB 3.48Å; E285-R289 PolarHBondContact O-N 3.26Å
286Y97.7Very high97.3Very high5 Ų556.2 Ų56.22%0.0229%0.293CS..Hα-helixtrans-51.7-48.7-179.7-178.1-136000112.7K104 L107 L259 T260 F263 S284K104-Y286 WeakPolarHBondContact CA-OH 3.46Å; K104-Y286 HydrophobicContact CB-CE2 4.34Å; K104-Y286 WeakPolarHBondContact CB-OH 3.29Å; K104-Y286 HydrophobicContact CD-CE2 4.03Å; K104-Y286 WeakPolarHBondContact CE-O 3.46Å; K104-Y286 HydrophobicContact CG-CE1 4.23Å; K104-Y286 HydrophobicContact CG-CE2 3.93Å; K104-Y286 PolarHBondContact NZ-O 3.42Å; L107-Y286 HydrophobicContact CD1-CE1 4.2Å; L259-Y286 HydrophobicContact CD2-CD2 4.47Å; L259-Y286 HydrophobicContact CG-CD2 4.18Å; T260-Y286 HydrophobicContact CG2-CE2 4.18Å; T260-Y286 WeakPolarHBondContact OG1-CE2 3.42Å; F263-Y286 HydrophobicContact CB-CD1 3.93Å; F263-Y286 HydrophobicContact CB-CG 3.97Å; F263-Y286 AromaticContact CD1-CD1 3.89Å; F263-Y286 HydrophobicContact CD1-CD1 3.89Å; F263-Y286 AromaticContact CD1-CE1 3.85Å; F263-Y286 HydrophobicContact CD1-CE1 3.85Å; F263-Y286 AromaticContact CD2-CD1 3.38Å; F263-Y286 HydrophobicContact CD2-CD1 3.38Å; F263-Y286 HydrophobicContact CD2-CE1 4.15Å; F263-Y286 HydrophobicContact CD2-CG 4.05Å; F263-Y286 HydrophobicContact CE1-CD1 4.29Å; F263-Y286 HydrophobicContact CE1-CE1 4.09Å; F263-Y286 AromaticContact CE2-CD1 3.8Å; F263-Y286 HydrophobicContact CE2-CD1 3.8Å; F263-Y286 HydrophobicContact CE2-CE1 4.33Å; F263-Y286 AromaticContact CG-CD1 3.44Å; F263-Y286 HydrophobicContact CG-CD1 3.44Å; F263-Y286 VanDerWaalsContact CG-CD1 3.44Å; F263-Y286 AromaticContact CG-CE1 3.91Å; F263-Y286 HydrophobicContact CG-CE1 3.91Å; F263-Y286 AromaticContact CG-CG 4Å; F263-Y286 HydrophobicContact CG-CG 4Å; F263-Y286 HydrophobicContact CZ-CD1 4.26Å; F263-Y286 HydrophobicContact CZ-CE1 4.33Å; S284-Y286 PolarHBondContact O-N 2.87Å; S284-Y286 VanDerWaalsContact O-N 3.1Å
287F98.1Very high97.2Very high0 Ų057.2 Ų57.20%030%0.296CS..Hα-helixtrans-93.7-21.1179.6-58.1-62.5000114.3K104 L107 F108 I111 F263 L281 S284 E285 F292 A293K104-F287 HydrophobicContact CG-CD1 3.97Å; K104-F287 HydrophobicContact CG-CE1 3.9Å; K104-F287 WeakPolarHBondContact O-CE1 3.48Å; L107-F287 HydrophobicContact CB-CE1 4.46Å; L107-F287 HydrophobicContact CB-CZ 4.1Å; F108-F287 HydrophobicContact CB-CD1 4.04Å; F108-F287 HydrophobicContact CB-CE1 3.8Å; F108-F287 HydrophobicContact CB-CZ 4.35Å; F108-F287 HydrophobicContact CD2-CB 4.06Å; F108-F287 AromaticContact CD2-CD1 3.75Å; F108-F287 HydrophobicContact CD2-CD1 3.75Å; F108-F287 HydrophobicContact CD2-CD2 4.26Å; F108-F287 HydrophobicContact CD2-CE1 4.24Å; F108-F287 AromaticContact CD2-CG 3.77Å; F108-F287 HydrophobicContact CD2-CG 3.77Å; F108-F287 HydrophobicContact CE2-CB 4.28Å; F108-F287 HydrophobicContact CE2-CG 4.44Å; F108-F287 HydrophobicContact CG-CD1 4.36Å; I111-F287 HydrophobicContact CD1-CE2 3.54Å; I111-F287 HydrophobicContact CD1-CZ 3.63Å; F263-F287 HydrophobicContact CD2-CE2 4.45Å; F263-F287 AromaticContact CE2-CE2 3.75Å; F263-F287 HydrophobicContact CE2-CE2 3.75Å; F263-F287 HydrophobicContact CE2-CZ 4.12Å; F263-F287 HydrophobicContact CZ-CE2 4.32Å; F263-F287 HydrophobicContact CZ-CZ 4.3Å; L281-F287 WeakPolarHBondContact O-CD2 3.39Å; S284-F287 PolarHBondContact O-N 3.44Å; E285-F287 VanDerWaalsContact C-N 3.33Å; E285-F287 PolarHBondContact O-N 3.25Å; F287-F292 HydrophobicContact CB-CD1 4.41Å; F287-F292 HydrophobicContact CD1-CD1 4.17Å; F287-F292 AromaticContact CD1-CE1 3.92Å; F287-F292 HydrophobicContact CD1-CE1 3.92Å; F287-F292 WeakPolarHBondContact O-CB 3.33Å; F287-A293 HydrophobicContact CB-CB 4.31Å; F287-A293 WeakPolarHBondContact O-CB 3.3Å; F287-A293 PolarHBondContact O-N 3Å
288T97Very high97.1Very high66 Ų6658.4 Ų58.441%0.40530%0.296SS..Hα-helixtrans-87.3-26.1-178.353.50000113.8S284 E285 N291S284-T288 PolarHBondContact O-N 3.5Å; S284-T288 VanDerWaalsContact O-N 3.09Å; S284-T288 PolarHBondContact O-OG1 3.36Å; E285-T288 VanDerWaalsContact CA-OG1 3.32Å; E285-T288 WeakPolarHBondContact CA-OG1 3.3Å; E285-T288 PolarHBondContact O-N 3.04Å; T288-N291 PolarHBondContact O-N 3.09Å; T288-N291 VanDerWaalsContact O-N 3.16Å
289R95.6Very high97Very high111 Ų11161.3 Ų61.342%0.41931%0.31SS..G310 helixtrans-59.4141.1176.4-152.9-176.979.9-170.83.5111L259 E285 N291 F292L259-R289 HydrophobicContact CD2-CB 4.38Å; L259-R289 VanDerWaalsContact CD2-NH1 3.32Å; E285-R289 HydrophobicContact CG-CB 4.27Å; E285-R289 VanDerWaalsContact O-CB 3.26Å; E285-R289 WeakPolarHBondContact O-CB 3.48Å; E285-R289 PolarHBondContact O-N 3.26Å; R289-N291 PolarHBondContact O-N 3.07Å; R289-F292 PolarHBondContact O-N 3.41Å
290E94.3Very high97Very high134 Ų13459.8 Ų59.863%0.62630%0.299SS*.G310 helixtrans57.424.8-176.3-62.5145.7-118.500113.6F292E290-F292 PolarHBondContact O-N 3.08Å; E290-F292 VanDerWaalsContact O-N 3.1Å
291N94.9Very high96.8Very high111 Ų11162.6 Ų62.659%0.59431%0.305SS*.G310 helixtrans55.423-176.7-61.3-28.9000114.1T288 R289 A293 S294 I295T288-N291 PolarHBondContact O-N 3.09Å; T288-N291 VanDerWaalsContact O-N 3.16Å; R289-N291 PolarHBondContact O-N 3.07Å; N291-A293 VanDerWaalsContact C-N 3.31Å; N291-A293 PolarHBondContact O-N 3.32Å; N291-S294 PolarHBondContact O-N 3.47Å; N291-S294 PolarHBondContact O-OG 3.25Å; N291-I295 HydrophobicContact CB-CD1 4.14Å; N291-I295 HydrophobicContact CB-CG1 4.47Å; N291-I295 WeakPolarHBondContact O-CG1 3.46Å; N291-I295 PolarHBondContact O-N 3.38Å; N291-I295 VanDerWaalsContact O-N 3.17Å
292F97.9Very high96.7Very high23 Ų2366.1 Ų66.110%0.10133%0.327CS..Hα-helixtrans-53-46.1-172.9168-85.2000112.7L101 K104 R105 F108 F287 R289 E290 S294 I295 F296L101-F292 HydrophobicContact CD1-CD2 4.37Å; L101-F292 HydrophobicContact CD1-CE2 3.84Å; K104-F292 HydrophobicContact CB-CZ 4.33Å; K104-F292 HydrophobicContact CD-CD1 4.18Å; K104-F292 HydrophobicContact CD-CD2 3.94Å; K104-F292 HydrophobicContact CD-CE1 4.09Å; K104-F292 HydrophobicContact CD-CE2 3.83Å; K104-F292 HydrophobicContact CD-CG 4.12Å; K104-F292 HydrophobicContact CD-CZ 3.91Å; K104-F292 VanDerWaalsContact CE-CD1 3.45Å; K104-F292 VanDerWaalsContact CE-CG 3.45Å; K104-F292 HydrophobicContact CG-CD1 4.34Å; K104-F292 HydrophobicContact CG-CE1 3.82Å; K104-F292 HydrophobicContact CG-CE2 4.08Å; K104-F292 HydrophobicContact CG-CZ 3.67Å; R105-F292 HydrophobicContact CG-CE2 3.97Å; R105-F292 HydrophobicContact CG-CZ 3.77Å; F108-F292 HydrophobicContact CB-CE1 4.33Å; F108-F292 HydrophobicContact CD2-CE1 4.48Å; F108-F292 HydrophobicContact CG-CE1 4.38Å; F287-F292 HydrophobicContact CB-CD1 4.41Å; F287-F292 HydrophobicContact CD1-CD1 4.17Å; F287-F292 AromaticContact CD1-CE1 3.92Å; F287-F292 HydrophobicContact CD1-CE1 3.92Å; F287-F292 WeakPolarHBondContact O-CB 3.33Å; R289-F292 PolarHBondContact O-N 3.41Å; E290-F292 PolarHBondContact O-N 3.08Å; E290-F292 VanDerWaalsContact O-N 3.1Å; F292-S294 PolarHBondContact O-N 3.44Å; F292-I295 PolarHBondContact O-N 2.93Å; F292-F296 HydrophobicContact CE1-CB 4.27Å; F292-F296 HydrophobicContact CE1-CD1 4Å; F292-F296 HydrophobicContact CE1-CG 4.43Å; F292-F296 HydrophobicContact CE2-CB 4.36Å; F292-F296 HydrophobicContact CZ-CB 4.12Å; F292-F296 AromaticContact CZ-CD1 3.81Å; F292-F296 HydrophobicContact CZ-CD1 3.81Å; F292-F296 HydrophobicContact CZ-CG 4.05Å; F292-F296 VanDerWaalsContact O-CB 3.23Å; F292-F296 WeakPolarHBondContact O-CB 3.41Å; F292-F296 PolarHBondContact O-N 2.97Å
293A96.5Very high96.5Very high21 Ų2166.9 Ų66.917%0.17433%0.331CS..Hα-helixtrans-59.8-39.9-177.400000113.6F108 F287 N291 L297F108-A293 HydrophobicContact CE2-CB 3.68Å; F108-A293 HydrophobicContact CZ-CB 3.95Å; F287-A293 HydrophobicContact CB-CB 4.31Å; F287-A293 WeakPolarHBondContact O-CB 3.3Å; F287-A293 PolarHBondContact O-N 3Å; N291-A293 VanDerWaalsContact C-N 3.31Å; N291-A293 PolarHBondContact O-N 3.32Å; A293-L297 VanDerWaalsContact O-CB 3.25Å; A293-L297 WeakPolarHBondContact O-CB 3.36Å; A293-L297 PolarHBondContact O-N 2.66Å
294S95.9Very high96.2Very high67 Ų6759.8 Ų59.847%0.46931%0.306SS..Hα-helixtrans-76.6-42.5179.352.40000111.9N291 F292 L297 E298N291-S294 PolarHBondContact O-N 3.47Å; N291-S294 PolarHBondContact O-OG 3.25Å; F292-S294 PolarHBondContact O-N 3.44Å; S294-L297 PolarHBondContact O-N 3Å; S294-E298 PolarHBondContact O-N 3.21Å
295I97.4Very high95.9Very high107 Ų10764.7 Ų64.755%0.54932%0.323SS..Hα-helixtrans-61.8-49.6178.4-63.4167.9000109.9N291 F292 L297 E298 E299N291-I295 HydrophobicContact CB-CD1 4.14Å; N291-I295 HydrophobicContact CB-CG1 4.47Å; N291-I295 WeakPolarHBondContact O-CG1 3.46Å; N291-I295 PolarHBondContact O-N 3.38Å; N291-I295 VanDerWaalsContact O-N 3.17Å; F292-I295 PolarHBondContact O-N 2.93Å; I295-L297 VanDerWaalsContact C-N 3.29Å; I295-L297 PolarHBondContact O-N 2.71Å; I295-E298 PolarHBondContact O-N 3.22Å; I295-E299 PolarHBondContact O-N 2.88Å
296F97.4Very high95.5Very high7 Ų762.7 Ų62.73%0.03132%0.317CS..Hα-helixtrans-69.6-25.2-178.5-176.3-129.7000112.8R105 F108 Q109 F292 E299 L300R105-F296 HydrophobicContact CB-CE1 3.86Å; R105-F296 HydrophobicContact CB-CE2 4.09Å; R105-F296 HydrophobicContact CB-CZ 3.59Å; R105-F296 HydrophobicContact CG-CD1 4.22Å; R105-F296 HydrophobicContact CG-CD2 3.97Å; R105-F296 HydrophobicContact CG-CE1 3.94Å; R105-F296 HydrophobicContact CG-CE2 3.69Å; R105-F296 HydrophobicContact CG-CG 4.25Å; R105-F296 HydrophobicContact CG-CZ 3.68Å; R105-F296 WeakPolarHBondContact O-CE1 3.37Å; F108-F296 HydrophobicContact CB-CD1 4.34Å; F108-F296 HydrophobicContact CB-CE1 4.25Å; F108-F296 AromaticContact CD1-CD1 3.54Å; F108-F296 HydrophobicContact CD1-CD1 3.54Å; F108-F296 AromaticContact CD1-CE1 3.79Å; F108-F296 HydrophobicContact CD1-CE1 3.79Å; F108-F296 HydrophobicContact CE1-CD1 4.11Å; F108-F296 HydrophobicContact CG-CD1 4.16Å; F108-F296 HydrophobicContact CG-CE1 4.41Å; Q109-F296 HydrophobicContact CG-CE1 4.11Å; Q109-F296 HydrophobicContact CG-CZ 4.3Å; F292-F296 HydrophobicContact CE1-CB 4.27Å; F292-F296 HydrophobicContact CE1-CD1 4Å; F292-F296 HydrophobicContact CE1-CG 4.43Å; F292-F296 HydrophobicContact CE2-CB 4.36Å; F292-F296 HydrophobicContact CZ-CB 4.12Å; F292-F296 AromaticContact CZ-CD1 3.81Å; F292-F296 HydrophobicContact CZ-CD1 3.81Å; F292-F296 HydrophobicContact CZ-CG 4.05Å; F292-F296 VanDerWaalsContact O-CB 3.23Å; F292-F296 WeakPolarHBondContact O-CB 3.41Å; F292-F296 PolarHBondContact O-N 2.97Å; F296-E299 HydrophobicContact CD2-CB 4.41Å; F296-E299 WeakPolarHBondContact CD2-OE2 3.29Å; F296-L300 WeakPolarHBondContact O-CB 3.41Å; F296-L300 PolarHBondContact O-N 3.36Å
297L96.5Very high94.8Very high53 Ų5363.9 Ų63.928%0.27732%0.322SS..Hα-helixtrans-69.8-39.3175.7-173.463.1000112.5A293 S294 I295 L300 K301A293-L297 VanDerWaalsContact O-CB 3.25Å; A293-L297 WeakPolarHBondContact O-CB 3.36Å; A293-L297 PolarHBondContact O-N 2.66Å; S294-L297 PolarHBondContact O-N 3Å; I295-L297 VanDerWaalsContact C-N 3.29Å; I295-L297 PolarHBondContact O-N 2.71Å; L297-L300 PolarHBondContact O-N 2.94Å; L297-K301 VanDerWaalsContact O-CG 3.3Å; L297-K301 WeakPolarHBondContact O-CG 3.15Å; L297-K301 PolarHBondContact O-N 3.1Å
298E96.6Very high93.8Very high101 Ų10167.9 Ų67.947%0.47235%0.347SS..Hα-helixtrans-72.9-36.3175.3-57.1-44.7125.100112.5S294 I295 K301 T302S294-E298 PolarHBondContact O-N 3.21Å; I295-E298 PolarHBondContact O-N 3.22Å; E298-K301 IonicContact OE1-NZ 3.78Å; E298-K301 PolarHBondContact OE1-NZ 3.06Å; E298-K301 WeakPolarHBondContact OE2-CD 3.44Å; E298-K301 IonicContact OE2-NZ 3.57Å; E298-K301 PolarHBondContact OE2-NZ 2.89Å; E298-T302 PolarHBondContact O-N 2.74Å; E298-T302 PolarHBondContact O-OG1 3.41Å
299E96.8Very high92.5Very high65 Ų6570 Ų7030%0.30436%0.356SS..Hα-helixtrans-58-52.1168.8-176.4-179.3-174.600110.4R105 I295 F296 K301 T302 L303R105-E299 IonicContact CZ-OE1 3.96Å; R105-E299 IonicContact CZ-OE2 3.13Å; R105-E299 IonicContact NE-OE2 2.73Å; R105-E299 IonicContact NH1-OE1 3.5Å; R105-E299 IonicContact NH2-OE1 3.81Å; R105-E299 PolarHBondContact NH2-OE1 3.31Å; R105-E299 IonicContact NH2-OE2 3.56Å; R105-E299 PolarHBondContact NH2-OE2 2.95Å; I295-E299 PolarHBondContact O-N 2.88Å; F296-E299 HydrophobicContact CD2-CB 4.41Å; F296-E299 WeakPolarHBondContact CD2-OE2 3.29Å; E299-K301 PolarHBondContact O-N 3.08Å; E299-T302 WeakPolarHBondContact O-CA 3.21Å; E299-T302 VanDerWaalsContact O-CB 3.28Å; E299-T302 WeakPolarHBondContact O-CB 3.29Å; E299-T302 PolarHBondContact O-N 3.46Å; E299-L303 HydrophobicContact CG-CD1 4.23Å; E299-L303 WeakPolarHBondContact O-CG 3.41Å; E299-L303 PolarHBondContact O-N 3.37Å
300L96.3Very high90.9Very high0 Ų070.9 Ų70.90%037%0.367CS..Hα-helixtrans-62.6-40.6-178.2178.957.1000113Q109 R112 V139 F296 L297 T302 L303 I304Q109-L300 HydrophobicContact CG-CD2 3.69Å; Q109-L300 VanDerWaalsContact OE1-CD1 3.32Å; R112-L300 VanDerWaalsContact NH1-CD2 3.35Å; V139-L300 HydrophobicContact CG2-CD1 4.07Å; F296-L300 WeakPolarHBondContact O-CB 3.41Å; F296-L300 PolarHBondContact O-N 3.36Å; L297-L300 PolarHBondContact O-N 2.94Å; L300-T302 PolarHBondContact O-N 2.88Å; L300-L303 PolarHBondContact O-N 3.41Å; L300-I304 HydrophobicContact CD1-CD1 3.86Å; L300-I304 HydrophobicContact CD1-CG1 4.04Å; L300-I304 HydrophobicContact CG-CD1 3.78Å; L300-I304 HydrophobicContact CG-CG1 4.45Å; L300-I304 WeakPolarHBondContact O-CD1 3.45Å; L300-I304 VanDerWaalsContact O-CG1 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.35Å; L300-I304 PolarHBondContact O-N 3.01Å
301K95.6Very high89Confident92 Ų9267 Ų6740%0.435%0.351SS..Hα-helixtrans-55.4-34.6170.8-77.6166.7-179.9173.10112.3L297 E298 E299 K305L297-K301 VanDerWaalsContact O-CG 3.3Å; L297-K301 WeakPolarHBondContact O-CG 3.15Å; L297-K301 PolarHBondContact O-N 3.1Å; E298-K301 IonicContact OE1-NZ 3.78Å; E298-K301 PolarHBondContact OE1-NZ 3.06Å; E298-K301 WeakPolarHBondContact OE2-CD 3.44Å; E298-K301 IonicContact OE2-NZ 3.57Å; E298-K301 PolarHBondContact OE2-NZ 2.89Å; E299-K301 PolarHBondContact O-N 3.08Å; K301-K305 WeakPolarHBondContact O-CD 3.28Å; K301-K305 VanDerWaalsContact O-CG 3.28Å; K301-K305 WeakPolarHBondContact O-CG 3.48Å; K301-K305 PolarHBondContact O-N 3.36Å
302T95.2Very high86.5Confident76 Ų7667.7 Ų67.747%0.46635%0.353SS..Hα-helixtrans-76.6-43.3178.6-52.90000111.1E298 E299 L300 I304 K305 N306E298-T302 PolarHBondContact O-N 2.74Å; E298-T302 PolarHBondContact O-OG1 3.41Å; E299-T302 WeakPolarHBondContact O-CA 3.21Å; E299-T302 VanDerWaalsContact O-CB 3.28Å; E299-T302 WeakPolarHBondContact O-CB 3.29Å; E299-T302 PolarHBondContact O-N 3.46Å; L300-T302 PolarHBondContact O-N 2.88Å; T302-I304 PolarHBondContact O-N 3.48Å; T302-K305 PolarHBondContact O-N 2.98Å; T302-N306 VanDerWaalsContact O-CG 3.28Å; T302-N306 PolarHBondContact O-N 3.29Å; T302-N306 VanDerWaalsContact O-N 3.15Å; T302-N306 PolarHBondContact O-ND2 3.29Å
303L94Very high83.6Confident38 Ų3869.2 Ų69.220%0.19937%0.365CS..Hα-helixtrans-59.2-44.6175.5-61.3172.7000112.1N137 V139 E299 L300 N306 E307N137-L303 HydrophobicContact CB-CD2 4.35Å; V139-L303 HydrophobicContact CG2-CB 3.82Å; E299-L303 HydrophobicContact CG-CD1 4.23Å; E299-L303 WeakPolarHBondContact O-CG 3.41Å; E299-L303 PolarHBondContact O-N 3.37Å; L300-L303 PolarHBondContact O-N 3.41Å; L303-N306 PolarHBondContact O-N 3.23Å; L303-E307 PolarHBondContact O-N 3.4Å; L303-E307 VanDerWaalsContact O-N 3.15Å
304I92.3Very high80.5Confident30 Ų3073.5 Ų73.515%0.15439%0.394CS..Hα-helixtrans-62.3-45.1178.7-67.4158.9000111.5D61 V139 L300 T302 N306 E307 T308D61-I304 HydrophobicContact CB-CD1 3.68Å; V139-I304 HydrophobicContact CG1-CG1 4.03Å; V139-I304 HydrophobicContact CG2-CG1 4.13Å; L300-I304 HydrophobicContact CD1-CD1 3.86Å; L300-I304 HydrophobicContact CD1-CG1 4.04Å; L300-I304 HydrophobicContact CG-CD1 3.78Å; L300-I304 HydrophobicContact CG-CG1 4.45Å; L300-I304 WeakPolarHBondContact O-CD1 3.45Å; L300-I304 VanDerWaalsContact O-CG1 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.35Å; L300-I304 PolarHBondContact O-N 3.01Å; T302-I304 PolarHBondContact O-N 3.48Å; I304-N306 VanDerWaalsContact C-N 3.29Å; I304-N306 PolarHBondContact O-N 2.91Å; I304-E307 PolarHBondContact O-N 3.17Å; I304-T308 PolarHBondContact O-N 3.02Å; I304-T308 PolarHBondContact O-OG1 2.81Å
305K91.1Very high77.6Confident134 Ų13475.3 Ų75.358%0.58341%0.407SS*.Hα-helixtrans-59.3-40.2176.9-75.5170.8-178.7179.40112.2K301 T302 E307 T308 N309K301-K305 WeakPolarHBondContact O-CD 3.28Å; K301-K305 VanDerWaalsContact O-CG 3.28Å; K301-K305 WeakPolarHBondContact O-CG 3.48Å; K301-K305 PolarHBondContact O-N 3.36Å; T302-K305 PolarHBondContact O-N 2.98Å; K305-E307 VanDerWaalsContact C-N 3.35Å; K305-T308 WeakPolarHBondContact CA-OG1 3.45Å; K305-T308 PolarHBondContact O-N 3.12Å; K305-T308 PolarHBondContact O-OG1 3.06Å; K305-N309 VanDerWaalsContact O-CG 3.31Å; K305-N309 PolarHBondContact O-N 3.49Å; K305-N309 PolarHBondContact O-ND2 3.16Å
306N87.6Confident74.6Confident76 Ų7675.2 Ų75.241%0.40642%0.415SS..Hα-helixtrans-65.1-39.9178.1-66.3-13.9000111.3T302 L303 I304 N309 I310T302-N306 VanDerWaalsContact O-CG 3.28Å; T302-N306 PolarHBondContact O-N 3.29Å; T302-N306 VanDerWaalsContact O-N 3.15Å; T302-N306 PolarHBondContact O-ND2 3.29Å; L303-N306 PolarHBondContact O-N 3.23Å; I304-N306 VanDerWaalsContact C-N 3.29Å; I304-N306 PolarHBondContact O-N 2.91Å; N306-N309 PolarHBondContact O-N 3.4Å; N306-I310 WeakPolarHBondContact O-CD1 3.46Å; N306-I310 VanDerWaalsContact O-CG1 3.3Å; N306-I310 WeakPolarHBondContact O-CG1 3.4Å; N306-I310 PolarHBondContact O-N 3.03Å; N306-I310 VanDerWaalsContact O-N 3.15Å
307E83.5Confident71.5Confident30 Ų3080 Ų8014%0.1445%0.445CS..Hα-helixtrans-66.9-37.4176.1-72.6-179-16800113.8S135 N137 V139 L303 I304 K305 N309 N311S135-E307 WeakPolarHBondContact CB-OE1 3.36Å; S135-E307 PolarHBondContact OG-OE1 2.91Å; N137-E307 WeakPolarHBondContact CB-OE1 3.35Å; N137-E307 WeakPolarHBondContact ND2-CG 3.34Å; V139-E307 WeakPolarHBondContact CB-OE1 3.26Å; V139-E307 WeakPolarHBondContact CG2-OE1 2.86Å; L303-E307 PolarHBondContact O-N 3.4Å; L303-E307 VanDerWaalsContact O-N 3.15Å; I304-E307 PolarHBondContact O-N 3.17Å; K305-E307 VanDerWaalsContact C-N 3.35Å; E307-N309 VanDerWaalsContact C-N 3.27Å; E307-N309 PolarHBondContact O-N 2.73Å; E307-N311 PolarHBondContact O-N 2.95Å; E307-N311 PolarHBondContact O-ND2 2.97Å
308T77.4Confident68.3Low84 Ų8485.3 Ų85.352%0.51547%0.474SS..Hα-helixtrans-64.1-34175.746.50000112.2I304 K305I304-T308 PolarHBondContact O-N 3.02Å; I304-T308 PolarHBondContact O-OG1 2.81Å; K305-T308 WeakPolarHBondContact CA-OG1 3.45Å; K305-T308 PolarHBondContact O-N 3.12Å; K305-T308 PolarHBondContact O-OG1 3.06Å
309N69.8Low65.5Low111 Ų11187.6 Ų87.659%0.59449%0.488SS*.Hα-helixtrans-74.7-42.8179.3-65.9-12.7000112.3K305 N306 E307 N311 I312K305-N309 VanDerWaalsContact O-CG 3.31Å; K305-N309 PolarHBondContact O-N 3.49Å; K305-N309 PolarHBondContact O-ND2 3.16Å; N306-N309 PolarHBondContact O-N 3.4Å; E307-N309 VanDerWaalsContact C-N 3.27Å; E307-N309 PolarHBondContact O-N 2.73Å; N309-N311 PolarHBondContact O-N 3.4Å; N309-I312 PolarHBondContact O-N 3.45Å
310I61Low62.6Low129 Ų12990 Ų9066%0.66251%0.508SS*.Hα-helixtrans-66.1-23-178.6-66.6164.4000112.4N306 I312N306-I310 WeakPolarHBondContact O-CD1 3.46Å; N306-I310 VanDerWaalsContact O-CG1 3.3Å; N306-I310 WeakPolarHBondContact O-CG1 3.4Å; N306-I310 PolarHBondContact O-N 3.03Å; N306-I310 VanDerWaalsContact O-N 3.15Å; I310-I312 VanDerWaalsContact C-N 3.26Å; I310-I312 PolarHBondContact O-N 2.86Å
311N54.5Low59.6Low53 Ų5395.7 Ų95.728%0.28355%0.547SS..THydrogen-bonded Turntrans-79.21.6178.9-88.7-89.2000115.1R28 E307 N309R28-N311 PolarHBondContact NE-OD1 2.86Å; E307-N311 PolarHBondContact O-N 2.95Å; E307-N311 PolarHBondContact O-ND2 2.97Å; N309-N311 PolarHBondContact O-N 3.4Å
312I43.7Very low56.6Low124 Ų12497.9 Ų97.964%0.63656%0.563SS**SBendtrans-114.6109.9173.8-55.7175000107.8N309 I310 S314N309-I312 PolarHBondContact O-N 3.45Å; I310-I312 VanDerWaalsContact C-N 3.26Å; I310-I312 PolarHBondContact O-N 2.86Å; I312-S314 PolarHBondContact O-N 3.02Å
313P37.2Very low53.8Low55 Ų55102.1 Ų102.136%0.35758%0.583SS.*  trans-61.2137.1172.8-23.134.9000111S26 S315S26-P313 WeakPolarHBondContact O-CD 3.26Å; S26-P313 VanDerWaalsContact O-CG 3.24Å; S26-P313 WeakPolarHBondContact O-CG 3.38Å; P313-S315 PolarHBondContact O-N 2.89Å
314S31.5Very low50.9Low112 Ų112105 Ų10578%0.78361%0.607SS**SBendtrans-75.848.9-179.253.60000112.9I312I312-S314 PolarHBondContact O-N 3.02Å
315S34.8Very low48.3Very low104 Ų104111 Ų11173%0.72764%0.637SS**  trans-10848.6-178.761.80000112P313P313-S315 PolarHBondContact O-N 2.89Å
316S34.8Very low45.6Very low105 Ų105110.3 Ų110.373%0.73464%0.644SS**SBendtrans-147.90.9171.855.60000114.4
317T32.1Very low43Very low107 Ų107114.1 Ų114.166%0.65666%0.664SS**SBendtrans-117.967.4177.354.80000110.8
318N29.5Very low40.5Very low166 Ų166120.3 Ų120.389%0.88870%0.698SS**  trans-166.367.8163.8-101.3-16.4000109.8
319I36.9Very low38.5Very low149 Ų149124.3 Ų124.376%0.76472%0.716SS**SBendtrans-132.9134.8165.2-64.8-177.2000107.1
320T35.6Very low36.7Very low116 Ų116127 Ų12771%0.71273%0.73SS**  trans48.975.2175.152.10000115.9D322T320-D322 PolarHBondContact O-N 3.16Å
321S33.2Very low35.2Very low119 Ų119125.8 Ų125.883%0.83273%0.733SS**  trans-65.773.2134.354.20000109.2
322D33.7Very low34.2Very low137 Ų137130.4 Ų130.473%0.73376%0.758SS**  trans-171.492.7163.1-102.8-25.8000109.6T320T320-D322 PolarHBondContact O-N 3.16Å
323N36.3Very low33.6Very low165 Ų165130 Ų13088%0.88277%0.766SS**  trans-165115.8140.5-101.8-52.8000108.1
324S33.5Very low33.5Very low100 Ų100134.2 Ų134.270%0.69979%0.786SS**  trans-76.6-179.517153.30000110.8
325I36.6Very low33.7Very low156 Ų156138.2 Ų138.280%0.879%0.792SS**  trans98.5133.7171.2-53.5157.7000114.9
326V34.2Very low33.7Very low118 Ų118140.9 Ų140.972%0.71580%0.796SS**SBendtrans52.394-176.4-129.80000118.4
327N33.4Very low33.8Very low157 Ų157144.4 Ų144.484%0.8480%0.801SS**  173.878112.1-89.3-35.6000111.1
328N31.8Very low33.6Very low159 Ų159145.9 Ų145.985%0.8581%0.81SS**  trans-151.853.8169.9-148.43.1000113.1
329L33.5Very low33.9Very low169 Ų169146.6 Ų146.689%0.88581%0.805SS**  trans-137.693.7168.2-77.4178.5000109.1
330N32.9Very low33.7Very low166 Ų166145.5 Ų145.589%0.88880%0.801SS**  trans-139.359.4164.4-140.50.8000110
331S30.5Very low33.7Very low104 Ų104146.3 Ų146.373%0.72780%0.801SS**  trans-148.486.2176.2-68.50000108.5
332N32.2Very low34.2Very low150 Ų150149 Ų14980%0.80280%0.8SS**  trans178.4111142.1-91.4-22.2000110.3
333S31Very low34.5Very low116 Ų116147.3 Ų147.381%0.81180%0.796SS**  trans-59.7128.8158.748.40000110.4
334N34.7Very low34.4Very low144 Ų144144.6 Ų144.677%0.7779%0.789SS**  trans-139.3107.2163.5-95.9-39.4000109.5
335Q37.2Very low34.6Very low196 Ų196147 Ų14792%0.91679%0.794SS**PPolyproline II helixtrans-76.3117.6163-69.8-179.8-700108
336I34.2Very low34.7Very low160 Ų160143.4 Ų143.482%0.82179%0.788SS**PPolyproline II helixtrans-91.1138.7167.8-65.1-178.8000108.5
337Q36.3Very low34.9Very low179 Ų179142.2 Ų142.284%0.83679%0.785SS**PPolyproline II helixtrans-77.1149.4-165.7-62.5177.7-0.100113.3
338V28.1Very low35.2Very low137 Ų137141.2 Ų141.283%0.8378%0.779SS**PPolyproline II helixtrans-74.7133.2168.7174.40000110.2
339K35.2Very low35.6Very low182 Ų182139 Ų13979%0.79177%0.768SS**  trans-159.1111.3151-115.6164-174176.10114.8
340N33.3Very low36Very low126 Ų126136.8 Ų136.867%0.67476%0.757SS**  trans76.7134.6139.2-64.512.6000122.8
341N35.6Very low36.4Very low133 Ų133134.8 Ų134.871%0.71175%0.746SS**  trans72.1114.4150.8-58.72.1000117.5
342Q44.7Very low36.9Very low175 Ų175134 Ų13482%0.81874%0.74SS**  79.1145.264.1-83.7-161.9-26.800114.2
343P40.1Very low37.2Very low101 Ų101133.3 Ų133.366%0.65674%0.737SS**  cis-140.8-161.1-35.540.1-21.4000112.5
344C33.7Very low37.6Very low109 Ų109133 Ų13374%0.73673%0.73SS**  trans76.4147.6162.1990000117.4
345N37.1Very low37.8Very low150 Ų150131.3 Ų131.380%0.80273%0.725SS**  cis-157.9156.1-12.7-123.80.9000112.7
346A39Very low38Very low80 Ų80130 Ų13066%0.66172%0.719SS**  trans35.1143.713700000121.8
347S39Very low38.2Very low94 Ų94127.1 Ų127.166%0.65771%0.712SS**  cis-177.1154.1-6-113.70000112.3
348N39.1Very low38.3Very low135 Ų135127.7 Ų127.772%0.72271%0.712SS**  trans67.5160.4139.2-64.118.7000118.7
349N40.2Very low38.7Very low113 Ų113127 Ų12760%0.60471%0.708SS**  cis-150137.58.7-133.714000111.9
350N42.8Very low38.7Very low122 Ų122122.7 Ų122.765%0.65270%0.701SS**  58.5149127.7-66.86.6000121.8
351N40.6Very low38.6Very low125 Ų125122.7 Ų122.767%0.66871%0.706SS**  cis-158.7155.65.3-136.8-5.7000115.1
352S41.2Very low38.4Very low87 Ų87123.6 Ų123.661%0.60872%0.716SS**  trans57.7143.1140.2690000121
353N38.9Very low38Very low135 Ų135120.7 Ų120.772%0.72272%0.715SS**  cis-161141.35.4-124.88.6000113.7
354T38.9Very low37.5Very low109 Ų109122.4 Ų122.467%0.66972%0.724SS**  trans40.4143.1132.660.60000121.6
355V38.4Very low37.5Very low110 Ų110123.4 Ų123.467%0.66773%0.727SS**  cis-163151.514.5103.60000112.8
356Q40.9Very low37.3Very low169 Ų169123.1 Ų123.179%0.7973%0.731SS**  trans15.5156.4149.1-55.3159.517.800120.9
357S39.5Very low37.1Very low98 Ų98126.8 Ų126.869%0.68574%0.737SS**  cis-175.7-172.4-19.261.50000106.1
358K38Very low36.8Very low192 Ų192127.5 Ų127.584%0.83574%0.738SS**  cis-163177.84.5-135.6166.3-170.7176.20105
359V37Very low36.6Very low121 Ų121127.3 Ų127.373%0.73374%0.744SS**  cis-154.3-154.810.370.70000109.7
360S34.1Very low36.2Very low92 Ų92127.2 Ų127.264%0.64375%0.748SS**  trans-57.3167.6179.3-36.90000117.2
361T31.2Very low35.7Very low127 Ų127128.5 Ų128.578%0.77975%0.753SS**  cis-160.5135.512-21.50000112.4
362T31.4Very low35.1Very low152 Ų152127.1 Ų127.193%0.93375%0.753SS**  trans-171.9167.9142.77.50000111.3
363S36Very low34.6Very low114 Ų114132.4 Ų132.480%0.79777%0.766SS**  trans-108.4160.6-164.952.40000115.7
364T30.5Very low34.1Very low137 Ų137132.4 Ų132.484%0.8477%0.771SS**  trans-62.7137.6-170.8-37.20000116.9
365T33.1Very low33.6Very low130 Ų130134 Ų13480%0.79878%0.781SS**  trans-150.8157.1144.5-8.40000111.6
366T33.5Very low33.2Very low143 Ų143135.2 Ų135.288%0.87779%0.788SS**PPolyproline II helixtrans-71135.7-170-41.70000113.5
367I35.5Very low32.6Very low157 Ų157133.2 Ų133.281%0.80579%0.788SS**PPolyproline II helixtrans-96.8124.3-172.8-62.2175.7000112.1
368T31.3Very low32.2Very low110 Ų110135.3 Ų135.368%0.67580%0.797SS**PPolyproline II helixtrans-89.7151.2160.244.10000110.8T370T368-T370 PolarHBondContact O-N 2.84Å; T368-T370 VanDerWaalsContact O-N 3.09Å
369P35.8Very low31.9Very low131 Ų131132.2 Ų132.285%0.85179%0.794SS**  trans-72.2107-176.728.9-34.5000111.7
370T32.2Very low31.7Very low111 Ų111133.3 Ų133.368%0.68180%0.801SS**  trans-115.6120.6167.7-62.80000108.5T368T368-T370 PolarHBondContact O-N 2.84Å; T368-T370 VanDerWaalsContact O-N 3.09Å
371I31.3Very low31.5Very low149 Ų149135 Ų13576%0.76481%0.808SS**  trans-87.1125.6172.3-62.9175.1000107.9F373I371-F373 HydrophobicContact CG2-CD2 4.11Å; I371-F373 HydrophobicContact CG2-CE2 3.84Å
372S28.8Very low31.6Very low96 Ų96134.7 Ų134.767%0.67181%0.806SS**  trans-151.2113.2175.1-700000109.1
373F30.4Very low31.7Very low198 Ų198133.9 Ų133.987%0.86880%0.801SS**  trans-92.6124.5171.7-72.3-86.5000108.9I371I371-F373 HydrophobicContact CG2-CD2 4.11Å; I371-F373 HydrophobicContact CG2-CE2 3.84Å
374T29.1Very low31.5Very low135 Ų135132.1 Ų132.183%0.82880%0.801SS**  trans-109.8146.9170.533.90000110.1
375T28Very low31.5Very low143 Ų143132.1 Ų132.188%0.87780%0.796SS**  trans-75.3145.7-174.4250000112.6
376T29.9Very low31.4Very low134 Ų134130.8 Ų130.882%0.82279%0.788SS**  trans-112.3132.4159.4-53.60000108.4
377T28.8Very low31.2Very low128 Ų128134.1 Ų134.179%0.78579%0.786SS**  trans-87.8134.2-174.1-4.30000111.8
378T31.3Very low31.1Very low141 Ų141132.4 Ų132.487%0.86578%0.784SS**  trans-137.5138.6160-19.80000109.1
379T29.9Very low31.1Very low127 Ų127135.1 Ų135.178%0.77980%0.795SS**  trans-114.5116.2-166.637.30000112.6
380T33Very low31Very low144 Ų144133.2 Ų133.288%0.88379%0.791SS**  trans-147.5126.316144.60000110.6
381T29.7Very low31Very low128 Ų128132.7 Ų132.779%0.78579%0.791SS**  trans-71.2168.4155.955.60000108.6
382T34.3Very low31Very low120 Ų120131.6 Ų131.674%0.73679%0.791SS**  cis-161.5162.733.5-32.90000110.9
383T32.7Very low31.2Very low136 Ų136133 Ų13383%0.83480%0.796SS**  trans-21.1143.4169.755.30000120.2
384G33.5Very low31.3Very low77 Ų77129.6 Ų129.679%0.79479%0.792SS**  trans165.6126.2156.100000114.1
385N30.3Very low31.5Very low137 Ų137128.7 Ų128.773%0.73379%0.787SS**  trans-90.9163.7-176.3-73.9-3.3000114.1
386T30.5Very low31.7Very low102 Ų102128.1 Ų128.163%0.62678%0.783SS**  trans116.1140134.1-25.90000118
387Y29.1Very low31.8Very low213 Ų213125.9 Ų125.984%0.83578%0.778SS**  trans77.5165.9168.4-46.9-69.6000117.3
388P33.9Very low31.9Very low120 Ų120126.8 Ų126.878%0.77978%0.783SS**  -134.6179.9-67.840.9-25.7000114.4
389N30Very low31.8Very low167 Ų167129.9 Ų129.989%0.89379%0.785SS**  trans-66.3136.9176.9-70.3-35.9000114.6
390A33.7Very low31.7Very low92 Ų92131.1 Ų131.176%0.7679%0.785SS**  trans-164.2120.6148.600000115.9
391S32.5Very low31.4Very low99 Ų99133.6 Ų133.669%0.69278%0.784SS**  trans57.9105.3132.568.40000124.8
392T31.7Very low31.6Very low126 Ų126135.2 Ų135.277%0.77379%0.787SS**  75.5151.2125.6-11.10000123.9
393T33.4Very low31.3Very low126 Ų126133.7 Ų133.777%0.77378%0.782SS**  trans70.4138.7163.656.80000116.9
394T31.5Very low31.2Very low126 Ų126133.2 Ų133.277%0.77377%0.774SS**  cis-149.9-178.611.7-31.90000111.6
395T33.5Very low31.2Very low117 Ų117136.7 Ų136.772%0.71877%0.773SS**  trans99.287.8152.7-46.70000118.9
396T33.1Very low31.2Very low131 Ų131139.2 Ų139.280%0.80478%0.783SS**  36.9140.2114.1-44.50000121.5
397A30.9Very low31.2Very low87 Ų87140.5 Ų140.572%0.71979%0.785SS**  trans7898166.900000118.2
398V30.9Very low31.5Very low146 Ų146137.5 Ų137.589%0.88579%0.789SS**  -160.993.5101.2176.50000108.1
399K29.6Very low31.4Very low207 Ų207140.1 Ų140.190%0.979%0.788SS**  trans-148.784.1169.5-98.9-170.6177.3177.40108.8
400L27.8Very low31.3Very low152 Ų152140 Ų14080%0.79679%0.787SS**  trans168.890.8165.5-99.3166.9000107.1
401F28.1Very low31.2Very low196 Ų196144.5 Ų144.586%0.8679%0.793SS**  trans179.884.6160.8-107.2-63.9000110.1
402L32Very low31.3Very low162 Ų162147.9 Ų147.985%0.84880%0.803SS**SBendtrans-171.430.8159.4-110.3164.4000113.3
403S28.8Very low31.3Very low89 Ų89151.8 Ų151.862%0.62281%0.809SS**SBendtrans-92.8-28.2-179.125.90000114
404D30.4Very low31.3Very low126 Ų126151.6 Ų151.667%0.67480%0.804SS**  trans-110.516.1-152.1-56.6-74.1000115.8
405I33Very low31.4Very low150 Ų150153.5 Ų153.577%0.76980%0.801SS**SBendtrans-110.146.4-179.3-38.1-175.1000112.4
406M31.7Very low31.3Very low190 Ų190153.8 Ų153.894%0.93680%0.803SS**SBendtrans-148.416.3164.5-87.2-135.9-60.300115.3
407N29.9Very low31.2Very low128 Ų128153.7 Ų153.768%0.68480%0.803SS**  trans-130.763.7-176.9-164.626.7000114.1
408V34.2Very low31.1Very low150 Ų150155.4 Ų155.491%0.90980%0.804SS**  trans-100.897.7163.4-179.40000108.3
409K32.6Very low31.3Very low175 Ų175153 Ų15376%0.76179%0.792SS**  trans-89.9143.7170-76.8-177.2178177.80110.4Q411K409-Q411 PolarHBondContact O-N 3.32Å
410N28.7Very low31.4Very low164 Ų164150.2 Ų150.288%0.87779%0.787SS**  trans-59.5125.3164.1-71.2-25.2000110.5
411Q31.8Very low31.6Very low187 Ų187154.2 Ų154.287%0.87479%0.791SS**  trans-147.1119.4136-72.9-157.53.500109.6K409K409-Q411 PolarHBondContact O-N 3.32Å
412N34.2Very low31.8Very low171 Ų171150.2 Ų150.291%0.91478%0.783SS**  trans-165.7101.5149.8-118.2-13.2000108.4
413K30.2Very low31.5Very low207 Ų207149.1 Ų149.190%0.978%0.778SS**  trans-163.3105.7176.8-140.7-168.8-170.2-168.60109.7
414D34Very low31.6Very low123 Ų123153.2 Ų153.266%0.65879%0.791SS**  trans-162.8134.3156.9-135.2-10000111.9
415K34Very low31.4Very low166 Ų166152.2 Ų152.272%0.72280%0.795SS**  trans60.7144156.3-66.4146.5-170.9158.80118
416T31.2Very low31.2Very low123 Ų123151.6 Ų151.676%0.75580%0.797SS**  cis-158.2160.12.1-3.70000112.6
417T31.1Very low30.9Very low129 Ų129149 Ų14979%0.79179%0.792SS**  trans79.8145.9153.9-500000119.3
418T28.4Very low30.9Very low123 Ų123148.3 Ų148.376%0.75580%0.797SS**  trans-138.2-164.6-175.161.30000107.9
419P35.3Very low30.6Very low96 Ų96149.2 Ų149.262%0.62379%0.792SS**  cis-138.9-170.3-9.541.5-21.9000115.9
420N31.4Very low30.4Very low148 Ų148147.5 Ų147.579%0.79180%0.796SS**  trans69.8108148.6-64.2-15.2000123.7
421R31.6Very low30.5Very low236 Ų236143.4 Ų143.489%0.89179%0.793SS**  -171.8119.1105.9-107-174.3152.6133.4-5.6110.5
422V33.5Very low30.3Very low112 Ų112142.2 Ų142.268%0.67979%0.792SS**  71.210391.5178.70000115
423D25.8Very low30.3Very low139 Ų139143 Ų14374%0.74379%0.79SS**  trans23.8135.2138.2-41-36.7000121.8
424L31Very low30.2Very low174 Ų174139.7 Ų139.791%0.91178%0.782SS**  -171.7153.1104-100161.3000112.7
425S24.6Very low30.1Very low106 Ų106139.8 Ų139.874%0.74179%0.792SS**  trans-120.3137.7-179.159.10000111.6
426V30.2Very low29.9Very low136 Ų136140.6 Ų140.682%0.82480%0.798SS**  trans-138.9138.1167.1-178.50000110.1
427T24.7Very low30.1Very low136 Ų136142.9 Ų142.983%0.83480%0.804SS**  trans-131.5118.3177.350.10000111.6
428S30.1Very low30.3Very low113 Ų113143.6 Ų143.679%0.7980%0.803SS**  trans-177.1175.4158.550.90000110.1
429Q28.3Very low30.6Very low169 Ų169145 Ų14579%0.7980%0.801SS**  -175.4148.5-60.1-142.3-175.312.200106.8
430T28.3Very low30.6Very low140 Ų140146.5 Ų146.586%0.85980%0.799SS**  trans66.9154.3164.169.90000119.5
431G29.7Very low30.8Very low78 Ų78144.4 Ų144.480%0.80479%0.788SS**  trans145.3106.5173.900000112.6
432L28.5Very low31Very low162 Ų162142 Ų14285%0.84878%0.784SS**  trans-116.1139.7-177.9-74.3164.9000111.7
433H33.7Very low30.9Very low188 Ų188142 Ų14287%0.8779%0.789SS**  trans-158.2151.4139.9-121.370.9000113.4
434N27.7Very low31.4Very low137 Ų137140.9 Ų140.973%0.73379%0.793SS**  trans-116.2159.5178.4-63-9.9000110.5
435S33.7Very low31.5Very low124 Ų124139.8 Ų139.887%0.86779%0.787SS**  trans-161.7138.6145.723.30000110.5
436E29.3Very low32Very low184 Ų184142.9 Ų142.986%0.8679%0.794SS**  trans-109163.1174.4-66.1168.1102.700109.7
437I35.6Very low32Very low170 Ų170140.5 Ų140.587%0.87278%0.783SS**  trans-160.193.5150.2-93.3139.9000108.6
438D34.2Very low32.4Very low145 Ų145140.7 Ų140.778%0.77579%0.785SS**  47.2161.6116.9-118-40.6000126.3
439E35.9Very low32.5Very low153 Ų153138.3 Ų138.372%0.71578%0.778SS**  trans72.7145.1160.5-69.2-147.4141.900122.2
440Q35Very low32.8Very low126 Ų126140.9 Ų140.959%0.58979%0.787SS**  cis-171.2168.3-29.5-140.3177.878.400112.2
441N35.2Very low32.9Very low105 Ų105139.2 Ų139.256%0.56178%0.781SS**  trans70.6152.8154.9-69.9-45.9000119.8
442K35.1Very low33.2Very low185 Ų185141.2 Ų141.280%0.80478%0.782SS**  cis-153.1176.6-8.1-128.1155.9-167.9154.90112.6
443S32.5Very low33.3Very low111 Ų111140.6 Ų140.678%0.77678%0.78SS**  trans-139.4167.2-169.156.90000114.2
444S36Very low33.3Very low117 Ų117139 Ų13982%0.81878%0.783SS**  trans-163.6158.7157.150.10000112.7
445N32Very low33.6Very low150 Ų150141.9 Ų141.980%0.80279%0.79SS**  trans-125177.1-173.7-65.2-65.9000111.5
446I35.5Very low33.9Very low172 Ų172140.8 Ų140.888%0.88278%0.779SS**  trans158.3157.4141.8-84.8154.2000110.1
447S31.3Very low33.9Very low86 Ų86138.6 Ų138.660%0.60178%0.779SS**  179.9134.4-60.3176.60000109.3
448T32.5Very low33.8Very low140 Ų140138.7 Ų138.786%0.85978%0.776SS**  trans54.7145158.946.40000119.6
449G31.8Very low33.5Very low63 Ų63139.4 Ų139.465%0.64978%0.778SS**  cis134.1136.81.100000111.8
450F34.2Very low33.2Very low223 Ų223141.6 Ų141.698%0.97879%0.789SS**  trans-163.1172.3162.7-114.1-74000112.3
451S30.6Very low33.2Very low104 Ų104137.9 Ų137.973%0.72778%0.784SS**  trans-152.5151.6-165.2175.40000113.6
452S36.2Very low33.4Very low120 Ų120139.6 Ų139.684%0.83979%0.793SS**  trans-165.7167149.355.10000112.3
453N30.4Very low33.4Very low150 Ų150139.4 Ų139.480%0.80279%0.792SS**  trans-105.7157.3-164.1-69.1-75.4000114.9
454T35.5Very low33.7Very low153 Ų153140.1 Ų140.194%0.93979%0.786SS**  trans-154.7167130.81.80000110.9
455K33.5Very low33.7Very low199 Ų199142.3 Ų142.387%0.86578%0.781SS**  trans-139.2-174.6-155.3-134.3-167.6178.1178.10112.4
456P39.6Very low34Very low100 Ų100138.3 Ų138.365%0.64976%0.764SS**  -124.4172.3-110.343-28.1000115.5
457T29Very low34.2Very low138 Ų138133.1 Ų133.185%0.84774%0.741SS**  trans-165.1174.6150.9-3.20000113.4
458Q33Very low34.4Very low173 Ų173134.3 Ų134.381%0.80874%0.739SS**  trans77.7114.8177.2-58.8-64.6-10.200116.9
459L28.9Very low34.6Very low159 Ų159130.6 Ų130.683%0.83272%0.722SS**  trans-110.1-170.8173.1-101.179.2000109.5
460E29Very low34.9Very low200 Ų200133.6 Ų133.694%0.93572%0.719SS**  trans74.3103.4165.4-52-151.1111.300117.1
461G35.8Very low35.2Very low47 Ų47128.6 Ų128.649%0.48570%0.699SS.*SBendtrans174.5-41.7170.900000112.5
462N38.2Very low35.8Very low141 Ų141127.9 Ų127.975%0.75469%0.69SS**SBendtrans-92-8.1-170.5-69.1-15.9000115.8
463K35.8Very low36.1Very low182 Ų182126.8 Ų126.879%0.79167%0.674SS**Hα-helixtrans-79.2-21.8177.4-96.5-172.4173.8-176.50114.8S466 T467K463-S466 PolarHBondContact O-OG 2.9Å; K463-T467 PolarHBondContact O-OG1 2.82Å
464I39.6Very low36.8Very low126 Ų126125 Ų12565%0.64667%0.665SS**Hα-helixtrans-82.4-29.1-177.3-61.3171.5000111.3T467 M468I464-T467 PolarHBondContact O-OG1 3.09Å; I464-M468 WeakPolarHBondContact O-CG 3.33Å; I464-M468 PolarHBondContact O-N 3.22Å
465K35.7Very low37.1Very low163 Ų163122.3 Ų122.371%0.70965%0.648SS**Hα-helixtrans-75-35.8179.8-69.1-174177.4-179.30113.1A469K465-A469 PolarHBondContact O-N 3.37Å
466S38.1Very low37.5Very low65 Ų65115.7 Ų115.746%0.45562%0.618SS.*Hα-helixtrans-69-43.7175.665.70000111.5K463 M468 A469 E470K463-S466 PolarHBondContact O-OG 2.9Å; S466-M468 PolarHBondContact O-N 3.01Å; S466-A469 PolarHBondContact O-N 3.06Å; S466-E470 WeakPolarHBondContact O-CB 3.4Å; S466-E470 PolarHBondContact O-N 3.11Å
467T38.6Very low37.6Very low64 Ų64114.9 Ų114.939%0.39361%0.611SS.*Hα-helixtrans-66.3-33.6-178.451.10000113.2K463 I464 Q471K463-T467 PolarHBondContact O-OG1 2.82Å; I464-T467 PolarHBondContact O-OG1 3.09Å; T467-Q471 WeakPolarHBondContact O-CB 3.42Å; T467-Q471 VanDerWaalsContact O-CG 3.27Å; T467-Q471 WeakPolarHBondContact O-CG 3.49Å; T467-Q471 PolarHBondContact O-N 3.23Å
468M37.2Very low37.9Very low111 Ų111110.4 Ų110.455%0.54759%0.588SS.*Hα-helixtrans-68.4-43.5172.1-69.4-130.873.900112.4I464 S466 E470 Q471 V472I464-M468 WeakPolarHBondContact O-CG 3.33Å; I464-M468 PolarHBondContact O-N 3.22Å; S466-M468 PolarHBondContact O-N 3.01Å; M468-E470 VanDerWaalsContact C-N 3.34Å; M468-E470 PolarHBondContact O-N 2.91Å; M468-Q471 PolarHBondContact O-N 3.25Å; M468-V472 WeakPolarHBondContact O-CG2 3.13Å; M468-V472 PolarHBondContact O-N 3.4Å
469A35.6Very low38.3Very low62 Ų62103.8 Ų103.851%0.51256%0.561SS.*Hα-helixtrans-64.1-40.2176.600000112.1K465 S466 V472 N473K465-A469 PolarHBondContact O-N 3.37Å; S466-A469 PolarHBondContact O-N 3.06Å; A469-V472 PolarHBondContact O-N 2.78Å; A469-N473 WeakPolarHBondContact O-CB 3.49Å; A469-N473 PolarHBondContact O-N 2.98Å
470E39Very low39Very low126 Ų126100.8 Ų100.859%0.58954%0.541SS*.Hα-helixtrans-65.8-39.6176.3-167.7165.1-144.600111.6S466 M468 L474S466-E470 WeakPolarHBondContact O-CB 3.4Å; S466-E470 PolarHBondContact O-N 3.11Å; M468-E470 VanDerWaalsContact C-N 3.34Å; M468-E470 PolarHBondContact O-N 2.91Å; E470-L474 HydrophobicContact CG-CD1 4.44Å; E470-L474 WeakPolarHBondContact O-CB 3.41Å; E470-L474 WeakPolarHBondContact O-CD1 3.35Å; E470-L474 VanDerWaalsContact O-CG 3.26Å; E470-L474 WeakPolarHBondContact O-CG 3.34Å; E470-L474 PolarHBondContact O-N 3.23Å
471Q40.1Very low39.3Very low117 Ų11794.6 Ų94.655%0.54752%0.52SS..Hα-helixtrans-64.4-44.5171.8-80.3178.8-8.800113T467 M468 N473 L474 T475T467-Q471 WeakPolarHBondContact O-CB 3.42Å; T467-Q471 VanDerWaalsContact O-CG 3.27Å; T467-Q471 WeakPolarHBondContact O-CG 3.49Å; T467-Q471 PolarHBondContact O-N 3.23Å; M468-Q471 PolarHBondContact O-N 3.25Å; Q471-N473 PolarHBondContact O-N 3.31Å; Q471-L474 PolarHBondContact O-N 2.97Å; Q471-T475 PolarHBondContact O-N 3.07Å; Q471-T475 PolarHBondContact O-OG1 3Å; Q471-T475 VanDerWaalsContact O-OG1 3.05Å
472V43.1Very low39.4Very low89 Ų89101.2 Ų101.254%0.53953%0.53SS..Hα-helixtrans-62.3-43.9177.3171.80000110.8M468 A469 T475 Y476M468-V472 WeakPolarHBondContact O-CG2 3.13Å; M468-V472 PolarHBondContact O-N 3.4Å; A469-V472 PolarHBondContact O-N 2.78Å; V472-T475 PolarHBondContact O-N 3.25Å; V472-Y476 PolarHBondContact O-N 2.78Å
473N43.3Very low39.5Very low97 Ų9798.3 Ų98.352%0.51952%0.517SS..Hα-helixtrans-66.7-40.5178.3-159.3-7.2000111.9A469 Q471 T475 Y476 V477A469-N473 WeakPolarHBondContact O-CB 3.49Å; A469-N473 PolarHBondContact O-N 2.98Å; Q471-N473 PolarHBondContact O-N 3.31Å; N473-T475 VanDerWaalsContact C-N 3.34Å; N473-T475 PolarHBondContact O-N 2.86Å; N473-Y476 WeakPolarHBondContact O-CB 3.39Å; N473-Y476 PolarHBondContact O-N 3.49Å; N473-V477 WeakPolarHBondContact O-CG2 3.4Å; N473-V477 PolarHBondContact O-N 2.88Å
474L43.5Very low39.4Very low114 Ų11492.2 Ų92.260%0.59750%0.501SS*.Hα-helixtrans-59.8-40.8171-78.5166.2000112.3E470 Q471 A478E470-L474 HydrophobicContact CG-CD1 4.44Å; E470-L474 WeakPolarHBondContact O-CB 3.41Å; E470-L474 WeakPolarHBondContact O-CD1 3.35Å; E470-L474 VanDerWaalsContact O-CG 3.26Å; E470-L474 WeakPolarHBondContact O-CG 3.34Å; E470-L474 PolarHBondContact O-N 3.23Å; Q471-L474 PolarHBondContact O-N 2.97Å; L474-A478 WeakPolarHBondContact O-CB 3.34Å; L474-A478 PolarHBondContact O-N 3.03Å
475T43.5Very low39.2Very low96 Ų9689.2 Ų89.259%0.58949%0.488SS*.Hα-helixtrans-65.5-40.8174.9-61.60000111.6Q471 V472 N473 A478 S479Q471-T475 PolarHBondContact O-N 3.07Å; Q471-T475 PolarHBondContact O-OG1 3Å; Q471-T475 VanDerWaalsContact O-OG1 3.05Å; V472-T475 PolarHBondContact O-N 3.25Å; N473-T475 VanDerWaalsContact C-N 3.34Å; N473-T475 PolarHBondContact O-N 2.86Å; T475-A478 PolarHBondContact O-N 2.94Å; T475-S479 WeakPolarHBondContact O-CB 3.3Å; T475-S479 PolarHBondContact O-N 3.37Å; T475-S479 PolarHBondContact O-OG 2.89Å
476Y40.7Very low39.3Very low60 Ų6089.1 Ų89.124%0.23549%0.488CS..Hα-helixtrans-61.7-52176-175.3-116.2000111.7L88 W166 V472 N473 A478 S479 K480L88-Y476 VanDerWaalsContact CD1-OH 3.29Å; L88-Y476 WeakPolarHBondContact CD1-OH 3.35Å; W166-Y476 HydrophobicContact CH2-CD2 4.12Å; W166-Y476 HydrophobicContact CH2-CE2 4.16Å; W166-Y476 HydrophobicContact CZ3-CD2 4.47Å; W166-Y476 HydrophobicContact CZ3-CE2 4.11Å; V472-Y476 PolarHBondContact O-N 2.78Å; N473-Y476 WeakPolarHBondContact O-CB 3.39Å; N473-Y476 PolarHBondContact O-N 3.49Å; Y476-A478 PolarHBondContact O-N 3.24Å; Y476-S479 PolarHBondContact O-N 2.92Å; Y476-S479 VanDerWaalsContact O-N 3.17Å; Y476-S479 PolarHBondContact O-OG 2.83Å; Y476-K480 HydrophobicContact CE1-CD 4.23Å; Y476-K480 VanDerWaalsContact CE1-CE 3.46Å; Y476-K480 VanDerWaalsContact CE1-NZ 3.3Å; Y476-K480 PolarHBondContact O-N 3.43Å; Y476-K480 WeakPolarHBondContact OH-CE 3.35Å; Y476-K480 PolarHBondContact OH-NZ 2.91Å
477V41.3Very low39.2Very low82 Ų8287.2 Ų87.250%0.49748%0.475SS..Hα-helixtrans-62.4-41.8176.6174.80000112N473 S479 K480 S481N473-V477 WeakPolarHBondContact O-CG2 3.4Å; N473-V477 PolarHBondContact O-N 2.88Å; V477-S479 VanDerWaalsContact C-N 3.3Å; V477-S479 PolarHBondContact O-N 3.22Å; V477-K480 PolarHBondContact O-N 2.89Å; V477-S481 WeakPolarHBondContact O-CB 3.36Å; V477-S481 PolarHBondContact O-N 3.05Å
478A36.4Very low39.1Very low44 Ų4490.3 Ų90.336%0.36449%0.485SS..Hα-helixtrans-65.1-32.6176.100000112.6L474 T475 Y476 R482L474-A478 WeakPolarHBondContact O-CB 3.34Å; L474-A478 PolarHBondContact O-N 3.03Å; T475-A478 PolarHBondContact O-N 2.94Å; Y476-A478 PolarHBondContact O-N 3.24Å; A478-R482 WeakPolarHBondContact O-CB 3.5Å; A478-R482 VanDerWaalsContact O-CG 3.3Å; A478-R482 WeakPolarHBondContact O-CG 3.36Å; A478-R482 PolarHBondContact O-N 3.41Å
479S41.1Very low39.1Very low35 Ų3589.5 Ų89.525%0.24548%0.482CS..Hα-helixtrans-71.9-44.2175.273.70000112.2T475 Y476 V477 S481 R482 V483T475-S479 WeakPolarHBondContact O-CB 3.3Å; T475-S479 PolarHBondContact O-N 3.37Å; T475-S479 PolarHBondContact O-OG 2.89Å; Y476-S479 PolarHBondContact O-N 2.92Å; Y476-S479 VanDerWaalsContact O-N 3.17Å; Y476-S479 PolarHBondContact O-OG 2.83Å; V477-S479 VanDerWaalsContact C-N 3.3Å; V477-S479 PolarHBondContact O-N 3.22Å; S479-S481 VanDerWaalsContact C-N 3.32Å; S479-S481 PolarHBondContact O-N 2.96Å; S479-R482 PolarHBondContact O-N 3.31Å; S479-V483 WeakPolarHBondContact O-CG2 3.28Å; S479-V483 PolarHBondContact O-N 2.91Å
480K42.8Very low39.1Very low96 Ų9694.3 Ų94.342%0.41749%0.488SS..Hα-helixtrans-53.4-48.9169.6-78.2-177.1175.7170.90110.8E92 Y476 V477 V483 A484E92-K480 IonicContact OE1-NZ 3.61Å; E92-K480 PolarHBondContact OE1-NZ 3.14Å; E92-K480 VanDerWaalsContact OE1-NZ 3.13Å; Y476-K480 HydrophobicContact CE1-CD 4.23Å; Y476-K480 VanDerWaalsContact CE1-CE 3.46Å; Y476-K480 VanDerWaalsContact CE1-NZ 3.3Å; Y476-K480 PolarHBondContact O-N 3.43Å; Y476-K480 WeakPolarHBondContact OH-CE 3.35Å; Y476-K480 PolarHBondContact OH-NZ 2.91Å; V477-K480 PolarHBondContact O-N 2.89Å; K480-V483 PolarHBondContact O-N 2.95Å; K480-A484 PolarHBondContact O-N 2.88Å
481S35.8Very low38.9Very low70 Ų7093.4 Ų93.449%0.4949%0.488SS..Hα-helixtrans-62.9-41.9179.2178.50000113.8V477 S479 A484 T485V477-S481 WeakPolarHBondContact O-CB 3.36Å; V477-S481 PolarHBondContact O-N 3.05Å; S479-S481 VanDerWaalsContact C-N 3.32Å; S479-S481 PolarHBondContact O-N 2.96Å; S481-A484 PolarHBondContact O-N 3.05Å; S481-T485 PolarHBondContact O-N 3.47Å; S481-T485 PolarHBondContact O-OG1 3.42Å
482R37.4Very low38.8Very low186 Ų18694.1 Ų94.170%0.70249%0.491SS*.Hα-helixtrans-68-31.7177.1-79.7176174.1176.2-0.4113.6A478 S479 T485 K486A478-R482 WeakPolarHBondContact O-CB 3.5Å; A478-R482 VanDerWaalsContact O-CG 3.3Å; A478-R482 WeakPolarHBondContact O-CG 3.36Å; A478-R482 PolarHBondContact O-N 3.41Å; S479-R482 PolarHBondContact O-N 3.31Å; R482-T485 WeakPolarHBondContact CA-OG1 3.21Å; R482-T485 PolarHBondContact O-OG1 3.14Å; R482-K486 WeakPolarHBondContact O-CB 3.32Å; R482-K486 PolarHBondContact O-N 3.46Å
483V39.9Very low38.5Very low80 Ų8099.6 Ų99.649%0.48550%0.503SS..Hα-helixtrans-67.1-45.4173.61710000110.3S479 K480 K486 S487S479-V483 WeakPolarHBondContact O-CG2 3.28Å; S479-V483 PolarHBondContact O-N 2.91Å; K480-V483 PolarHBondContact O-N 2.95Å; V483-K486 PolarHBondContact O-N 2.9Å; V483-S487 WeakPolarHBondContact O-CB 3.39Å; V483-S487 PolarHBondContact O-N 3.16Å
484A33.9Very low38.1Very low53 Ų53100.8 Ų100.844%0.43851%0.509SS..Hα-helixtrans-60.1-48.7176.500000112.5K480 S481 S487 Q488K480-A484 PolarHBondContact O-N 2.88Å; S481-A484 PolarHBondContact O-N 3.05Å; A484-S487 WeakPolarHBondContact O-CB 3.42Å; A484-S487 PolarHBondContact O-N 3.44Å; A484-Q488 PolarHBondContact O-N 2.73Å; A484-Q488 VanDerWaalsContact O-N 3.09Å
485T36.2Very low37.7Very low63 Ų63100.4 Ų100.439%0.38751%0.511SS..Hα-helixtrans-68.6-34.8179.738.60000113.4S481 R482 Q488 L489S481-T485 PolarHBondContact O-N 3.47Å; S481-T485 PolarHBondContact O-OG1 3.42Å; R482-T485 WeakPolarHBondContact CA-OG1 3.21Å; R482-T485 PolarHBondContact O-OG1 3.14Å; T485-Q488 PolarHBondContact O-N 2.88Å; T485-L489 WeakPolarHBondContact O-CG 3.45Å; T485-L489 PolarHBondContact O-N 2.81Å
486K36.9Very low37.3Very low161 Ų161104.1 Ų104.170%0.752%0.521SS*.Hα-helixtrans-65.9-36.4169.2-88.2-164.7168.4-1690112.8R482 V483 Q488 L489 Y490R482-K486 WeakPolarHBondContact O-CB 3.32Å; R482-K486 PolarHBondContact O-N 3.46Å; V483-K486 PolarHBondContact O-N 2.9Å; K486-Q488 PolarHBondContact O-N 3.48Å; K486-L489 PolarHBondContact O-N 2.82Å; K486-Y490 WeakPolarHBondContact O-CB 3.27Å; K486-Y490 PolarHBondContact O-N 2.94Å; K486-Y490 VanDerWaalsContact O-N 3.08Å
487S37.7Very low36.9Very low26 Ų26107.6 Ų107.618%0.18254%0.544CS..Hα-helixtrans-67-22.1174.4-170.80000113S14 V483 A484S14-S487 PolarHBondContact OG-OG 3.26Å; V483-S487 WeakPolarHBondContact O-CB 3.39Å; V483-S487 PolarHBondContact O-N 3.16Å; A484-S487 WeakPolarHBondContact O-CB 3.42Å; A484-S487 PolarHBondContact O-N 3.44Å
488Q35.3Very low36.4Very low129 Ų129112.2 Ų112.260%0.60356%0.56SS**Hα-helixtrans-80.8-51.2173-71.7170.1-25.600111.3A484 T485 K486 Y490 N491 E492A484-Q488 PolarHBondContact O-N 2.73Å; A484-Q488 VanDerWaalsContact O-N 3.09Å; T485-Q488 PolarHBondContact O-N 2.88Å; K486-Q488 PolarHBondContact O-N 3.48Å; Q488-Y490 PolarHBondContact O-N 3.28Å; Q488-N491 WeakPolarHBondContact O-CB 3.34Å; Q488-N491 PolarHBondContact O-N 3.28Å; Q488-E492 PolarHBondContact O-N 3.46Å
489L38.3Very low36.2Very low94 Ų94117.9 Ų117.949%0.49258%0.584SS.*Hα-helixtrans-59.8-30.8179.1-71.8165.9000113.2T485 K486 N491 E492 Y493T485-L489 WeakPolarHBondContact O-CG 3.45Å; T485-L489 PolarHBondContact O-N 2.81Å; K486-L489 PolarHBondContact O-N 2.82Å; L489-N491 VanDerWaalsContact C-N 3.28Å; L489-N491 PolarHBondContact O-N 3.29Å; L489-E492 PolarHBondContact O-N 3.31Å; L489-Y493 PolarHBondContact O-N 2.79Å
490Y34.6Very low36Very low163 Ų163123 Ų12364%0.63961%0.607SS**Hα-helixtrans-69.4-25.2176.7-155.2-103.1000113.1K486 Q488 L494K486-Y490 WeakPolarHBondContact O-CB 3.27Å; K486-Y490 PolarHBondContact O-N 2.94Å; K486-Y490 VanDerWaalsContact O-N 3.08Å; Q488-Y490 PolarHBondContact O-N 3.28Å; Y490-L494 HydrophobicContact CD1-CD1 3.69Å; Y490-L494 HydrophobicContact CE1-CD1 3.38Å
491N35.1Very low35.6Very low107 Ų107123.9 Ų123.957%0.57262%0.617SS**Hα-helixtrans-77.1-30.3173.9-72.2-11.3000112.1Q488 L489 Y493 L494 V495Q488-N491 WeakPolarHBondContact O-CB 3.34Å; Q488-N491 PolarHBondContact O-N 3.28Å; L489-N491 VanDerWaalsContact C-N 3.28Å; L489-N491 PolarHBondContact O-N 3.29Å; N491-Y493 VanDerWaalsContact C-N 3.34Å; N491-L494 PolarHBondContact O-N 2.97Å; N491-V495 VanDerWaalsContact O-CG2 3.32Å; N491-V495 WeakPolarHBondContact O-CG2 3.2Å
492E38.5Very low35.4Very low131 Ų131126.7 Ų126.761%0.61263%0.633SS**Hα-helixtrans-69.4-33.7173.1-65.8-177.3137.100111.5Q488 L489 L494Q488-E492 PolarHBondContact O-N 3.46Å; L489-E492 PolarHBondContact O-N 3.31Å; E492-L494 VanDerWaalsContact C-N 3.3Å; E492-L494 PolarHBondContact O-N 3.41Å
493Y35.6Very low35.3Very low205 Ų205125.5 Ų125.580%0.80464%0.635SS**THydrogen-bonded Turntrans-77.4-4.2177.5-94.4-86.7000115.6L489 N491L489-Y493 PolarHBondContact O-N 2.79Å; N491-Y493 VanDerWaalsContact C-N 3.34Å
494L35.6Very low35Very low121 Ų121130.4 Ų130.463%0.63465%0.653SS**THydrogen-bonded Turntrans-110.110179.4-107.1126000114.1Y490 N491 E492Y490-L494 HydrophobicContact CD1-CD1 3.69Å; Y490-L494 HydrophobicContact CE1-CD1 3.38Å; N491-L494 PolarHBondContact O-N 2.97Å; E492-L494 VanDerWaalsContact C-N 3.3Å; E492-L494 PolarHBondContact O-N 3.41Å
495V35.9Very low34.9Very low106 Ų106135.7 Ų135.764%0.64267%0.673SS**SBendtrans-11212.2-175.7175.40000112.4N491N491-V495 VanDerWaalsContact O-CG2 3.32Å; N491-V495 WeakPolarHBondContact O-CG2 3.2Å
496H33.6Very low34.6Very low174 Ų174139.8 Ų139.881%0.80669%0.692SS**  trans-128.235.7-173.2-78.3-38.1000115.5
497D33.6Very low34.2Very low134 Ų134137.9 Ų137.972%0.71769%0.689SS**  trans-132.746.8168.6-149.4-7.6000112.4N499D497-N499 PolarHBondContact O-N 3.28Å
498E30.7Very low33.9Very low178 Ų178142.9 Ų142.983%0.83272%0.719SS**  trans-8289.5165.1-70.2-166.1152.500109.8
499N32.8Very low33.7Very low163 Ų163145.7 Ų145.787%0.87273%0.734SS**  trans176.659.7150.2-94.2-52.7000113.5D497D497-N499 PolarHBondContact O-N 3.28Å
500I35.4Very low33.3Very low142 Ų142147.8 Ų147.873%0.72874%0.739SS**  trans-128.8135.7170.4-58.5-177000111.1
501D34.1Very low33.3Very low115 Ų115146.7 Ų146.762%0.61575%0.749SS**  trans-68.1129.9-172.5-173.5-23.1000112.9H503D501-H503 PolarHBondContact O-N 3.46Å; D501-H503 PolarHBondContact OD1-N 3.24Å; D501-H503 VanDerWaalsContact OD1-N 3.15Å
502P32.3Very low33Very low129 Ų129146.8 Ų146.884%0.83876%0.758SS**THydrogen-bonded Turntrans-59.8-5.1178.8-26.135.6000117.9
503H35.1Very low32.7Very low161 Ų161151.5 Ų151.575%0.74577%0.77SS**THydrogen-bonded Turntrans-95.9-4.8-167.5-103.4-75.3000118.3D501D501-H503 PolarHBondContact O-N 3.46Å; D501-H503 PolarHBondContact OD1-N 3.24Å; D501-H503 VanDerWaalsContact OD1-N 3.15Å
504H33.5Very low32.7Very low184 Ų184151.2 Ų151.285%0.85277%0.773SS**  trans-118.173.7-169.2-115-75.9000115.5
505L32.8Very low32.5Very low164 Ų164151 Ų15186%0.85978%0.779SS**  trans-158.146.5167.1-120.6168.6000114.8
506L30.3Very low32.5Very low149 Ų149154.6 Ų154.678%0.7879%0.788SS**  trans-124.620.9-177-153.978.1000115.6K510L506-K510 PolarHBondContact O-NZ 3.3Å
507D28.4Very low32.5Very low120 Ų120156.6 Ų156.664%0.64279%0.79SS**  trans-140.373.1179-89-59.2000114.1K510D507-K510 IonicContact OD1-NZ 2.63Å; D507-K510 PolarHBondContact OD1-NZ 3.41Å; D507-K510 IonicContact OD2-NZ 3.74Å; D507-K510 PolarHBondContact OD2-NZ 2.86Å; D507-K510 VanDerWaalsContact OD2-NZ 3.1Å
508T30.9Very low32.4Very low132 Ų132153.9 Ų153.981%0.8180%0.795SS**SBendtrans-148.830159.7-29.60000113.1
509M30Very low32.4Very low187 Ų187149.6 Ų149.692%0.92178%0.784SS**  trans-155.837175.4-131.5179.6-64.300114.8
510K30.7Very low32.6Very low138 Ų138147.7 Ų147.760%0.677%0.774SS**  trans-10984.8176-65.4-169.9-174.893.80111.9L506 D507L506-K510 PolarHBondContact O-NZ 3.3Å; D507-K510 IonicContact OD1-NZ 2.63Å; D507-K510 PolarHBondContact OD1-NZ 3.41Å; D507-K510 IonicContact OD2-NZ 3.74Å; D507-K510 PolarHBondContact OD2-NZ 2.86Å; D507-K510 VanDerWaalsContact OD2-NZ 3.1Å
511V34.2Very low32.5Very low140 Ų140147.4 Ų147.485%0.84877%0.774SS**  trans-131.5106.5164.3-178.60000110.6
512S28.6Very low32.5Very low109 Ų109147.9 Ų147.976%0.76278%0.781SS**  trans41.2114.7155.2-1600000120.7
513R33.1Very low32.4Very low230 Ų230148.6 Ų148.687%0.86878%0.777SS**  trans-155.2127.3134.3-104.4169.1-141.9-140.23.2109.3
514K34.4Very low32.4Very low199 Ų199145.7 Ų145.787%0.86577%0.767SS**  trans-82.4149.6171.7-75.5-176.2176.3179.20110.5
515P33.2Very low32.4Very low117 Ų117146.6 Ų146.676%0.7676%0.762SS**  trans-80.3157.7172.134.6-34.9000111.7
516H35.5Very low32.5Very low181 Ų181144.6 Ų144.684%0.83875%0.753SS**  trans-117.5135.6162.5-123.6-73.1000109.1
517Y32.2Very low32.8Very low216 Ų216143.5 Ų143.585%0.84775%0.748SS**  trans-79.1153.9175.2-109-104000111.5
518G31.3Very low33.2Very low78 Ų78144.7 Ų144.780%0.80475%0.754SS**  trans-156.1108.2163.800000109
519S32.3Very low33.4Very low88 Ų88142.7 Ų142.762%0.61575%0.745SS**  trans-133.1146.3169.860.10000108.1
520D35.6Very low33.8Very low122 Ų122140 Ų14065%0.65274%0.735SS**  173.6131.6113.6-10234.3000112.7
521N34Very low34.1Very low137 Ų137138.2 Ų138.273%0.73374%0.74SS**  trans62.3150.4150.7-49.2-40.9000117.1
522V33.8Very low34.1Very low124 Ų124140.9 Ų140.975%0.75274%0.74SS**  cis-146.1148.533.9166.30000111.4
523L31.8Very low34.4Very low145 Ų145145 Ų14576%0.75975%0.747SS**  trans-3.8155.8149-55.3161.5000118.3
524N34.3Very low34.3Very low100 Ų100138.9 Ų138.954%0.53574%0.74SS.*  cis-171157.332.6-138.8-3.9000111.4
525R34.1Very low34.2Very low202 Ų202139.8 Ų139.876%0.76274%0.744SS**  trans46.2149.2135.2-77.6172-148.8-159.50.1122.5
526N33Very low34.2Very low122 Ų122138.2 Ų138.265%0.65274%0.741SS**  cis-175.5175.5-18.6-128.157.9000108.4
527D37.7Very low34.1Very low126 Ų126136.8 Ų136.867%0.67475%0.745SS**  trans65.1146.5157.6-45.3-25.6000117.5
528D37Very low34.2Very low146 Ų146131.9 Ų131.978%0.78174%0.737SS**  cis-152.9-173.3-19.2-128.8-32.9000112.4
529S35.7Very low34.1Very low89 Ų89136.6 Ų136.662%0.62274%0.738SS**  trans-45.6175.6-177.974.10000118.9
530D37.2Very low34.3Very low130 Ų130141.5 Ų141.570%0.69575%0.749SS**  cis-167.9-179.833.5-134.4-51.3000115.1
531S36.4Very low34.1Very low101 Ų101143.9 Ų143.971%0.70676%0.758SS**  trans58.5118.4170.464.70000117.8
532K35Very low33.8Very low196 Ų196145.3 Ų145.385%0.85277%0.766SS**  cis61.3108.648-61.5-178.7179.1168.70115.4
533E34.5Very low33.8Very low197 Ų197146.5 Ų146.592%0.92177%0.768SS**  -155.1168.6108-126179.3-162.700112.1
534S31.4Very low33.9Very low101 Ų101148.8 Ų148.871%0.70677%0.766SS**  trans-150.1140.5-168.360.40000112
535F32.8Very low33.7Very low217 Ų217151.7 Ų151.795%0.95278%0.781SS**  trans-145.5147.6156-108.3-77.2000112.3
536A31.7Very low33.5Very low85 Ų85149.9 Ų149.970%0.70279%0.786SS**  trans-126.1154.5-178.100000110.9
537V33.5Very low33.6Very low151 Ų151150.9 Ų150.992%0.91579%0.787SS**  trans-134.4136.1164.2-179.30000108
538T34.4Very low33.3Very low113 Ų113153.3 Ų153.369%0.69380%0.796SS**  trans-103.7161.5-1596.20000114.7
539E29.9Very low33.3Very low176 Ų176152.4 Ų152.482%0.82280%0.799SS**  trans39.8128.3146.7-66.1174.7120.900121.4
540K36.4Very low33Very low192 Ų192152.9 Ų152.984%0.83580%0.802SS**  -157.7155.5111.4-114.7167.2-171.6174.70114.1
541M32Very low32.7Very low171 Ų171154.5 Ų154.584%0.84281%0.809SS**  trans66.266.6165.7-64.8175.5175.600116.6
542N28Very low32.4Very low168 Ų168154.7 Ų154.790%0.89881%0.808SS**  trans-95.975.8148.7-167.431.6000108.6
543D32.9Very low32Very low149 Ų149154.6 Ų154.680%0.79781%0.81SS**  trans-154111.6-179-111.4-32.8000111
544R34.5Very low31.9Very low192 Ų192154.4 Ų154.473%0.72581%0.807SS**  trans148.351.8165.7-85.6172159.6-80.7-20.3113.1E547R544-E547 IonicContact CZ-OE1 3.4Å; R544-E547 IonicContact CZ-OE2 2.82Å; R544-E547 IonicContact NH1-OE1 2.67Å; R544-E547 IonicContact NH1-OE2 2.93Å; R544-E547 PolarHBondContact NH1-OE2 2.94Å; R544-E547 IonicContact NH2-OE1 3.23Å; R544-E547 PolarHBondContact NH2-OE1 3.49Å; R544-E547 IonicContact NH2-OE2 3.32Å; R544-E547 PolarHBondContact NH2-OE2 2.7Å
545L30Very low31.8Very low162 Ų162154.1 Ų154.185%0.84880%0.804SS**  trans-86158.3142.1-73.8163.5000107.7
546N30.4Very low31.6Very low163 Ų163152.7 Ų152.787%0.87280%0.798SS**  trans73.163.5-175.9-50-27.1000116.6
547E34.1Very low31.4Very low144 Ų144151.3 Ų151.367%0.67379%0.792SS**  trans-151.579.8156.8-118.9174.3-133.500110R544R544-E547 IonicContact CZ-OE1 3.4Å; R544-E547 IonicContact CZ-OE2 2.82Å; R544-E547 IonicContact NH1-OE1 2.67Å; R544-E547 IonicContact NH1-OE2 2.93Å; R544-E547 PolarHBondContact NH1-OE2 2.94Å; R544-E547 IonicContact NH2-OE1 3.23Å; R544-E547 PolarHBondContact NH2-OE1 3.49Å; R544-E547 IonicContact NH2-OE2 3.32Å; R544-E547 PolarHBondContact NH2-OE2 2.7Å
548M31.8Very low31.3Very low176 Ų176150.5 Ų150.587%0.86778%0.782SS**  trans-99124.2173-89.1-171.168.200111S550M548-S550 PolarHBondContact O-N 2.79Å
549P37.5Very low30.9Very low128 Ų128152.1 Ų152.183%0.83179%0.786SS**  trans-77.1109.2159.1-5.423.1000109.2
550S28.2Very low31Very low99 Ų99150.2 Ų150.269%0.69279%0.786SS**  trans-82.4131.8168.152.30000110.9M548M548-S550 PolarHBondContact O-N 2.79Å
551I31.7Very low30.5Very low164 Ų164146.8 Ų146.884%0.84178%0.782SS**  trans175.9139.7161.5-98.7149.2000108.8
552P29.3Very low30.4Very low104 Ų104146 Ų14668%0.67579%0.786SS**  cis-130.1148.3-28.837.9-22000113.4
553Q27.4Very low30.4Very low195 Ų195146.9 Ų146.991%0.91178%0.782SS**  trans-87.6138.6158.2-78.6-173.8-2400110.4
554K32.1Very low30Very low193 Ų193144.6 Ų144.684%0.83978%0.776SS**  trans-140.396.1166-82.7-167.6173.2-177.40112.5
555S28.3Very low29.7Very low94 Ų94144.8 Ų144.866%0.65778%0.783SS**  9.6155.9122.434.90000120.4
556F29.4Very low29.8Very low187 Ų187142.4 Ų142.482%0.8278%0.779SS**  cis-164.31574.2-121.7-50.5000113.1
557G27.9Very low30Very low56 Ų56141 Ų14158%0.57778%0.779SS**  trans96.7148.3139.400000117.6
558L31.2Very low29.8Very low134 Ų134143.9 Ų143.970%0.70279%0.789SS**  cis-116151-4.6-86.670.2000109.2F899L558-F899 HydrophobicContact CD1-CE1 4.22Å; L558-F899 HydrophobicContact CD1-CE2 4.34Å; L558-F899 HydrophobicContact CD1-CZ 4.09Å
559L27Very low30.1Very low148 Ų148141 Ų14178%0.77578%0.784SS**  50.613778.8-97.571.5000114.2
560T30.9Very low29.8Very low135 Ų135141.4 Ų141.483%0.82878%0.784SS**  cis-130.6169.438.148.60000115.9
561T26.2Very low29.9Very low121 Ų121144.3 Ų144.374%0.74279%0.792SS**  trans-120.1145.5-179.853.70000112.6
562V30.1Very low30Very low154 Ų154141.6 Ų141.693%0.93379%0.785SS**  trans-131.2153.8149.2-175.10000108.3
563K26.9Very low30Very low187 Ų187144.7 Ų144.781%0.81379%0.794SS**  trans-147.9165.7-162.6-165.7177.5-174.4177.40110.3
564C25.4Very low30.2Very low101 Ų101140.2 Ų140.268%0.68278%0.784SS**  trans87.9148.2176.9-54.30000114.9
565K28Very low30.2Very low196 Ų196140.3 Ų140.385%0.85278%0.784SS**  cis-160.8150.6-9.9-112.1165.7-170.5176.80108.4
566S33.2Very low30.5Very low112 Ų112141.2 Ų141.278%0.78379%0.788SS**  trans-96.7155.6169.454.30000112.4
567P32.8Very low30.8Very low132 Ų132137.3 Ų137.386%0.85778%0.784SS**  -137.7-159.6123.436.7-22000113.8
568K30.3Very low31Very low205 Ų205142.1 Ų142.189%0.89180%0.795SS**  trans-118.6174.8-160.1-101.1-170.8174.1-175.40114.1
569P37.5Very low31Very low117 Ų117142.3 Ų142.376%0.7680%0.796SS**  trans-106.5173.7-154.341.7-39.2000117.1
570T31.9Very low31.4Very low135 Ų135143.3 Ų143.383%0.82880%0.797SS**  trans-148.8137.6167.247.90000113.1
571N29.7Very low31.4Very low161 Ų161141.6 Ų141.686%0.86178%0.783SS**  trans-81.3-177.6161-89.4-5.1000110.1
572P35.2Very low31.8Very low106 Ų106142.3 Ų142.369%0.68878%0.781SS**  cis-145.4-17616.644.5-24.9000119.1
573I29.1Very low31.9Very low169 Ų169144.2 Ų144.287%0.86777%0.772SS**  trans74.1153.7154.8-80.7164.4000116.1
574S30.6Very low32.1Very low101 Ų101143.4 Ų143.471%0.70677%0.77SS**  cis-142.2-166.617.870.60000115.3
575K33.6Very low32.8Very low195 Ų195143 Ų14385%0.84877%0.767SS**  trans-143.1154.1158-85.1-167.4177.7-177.70110.5
576P34.6Very low33.1Very low114 Ų114140.6 Ų140.674%0.7476%0.762SS**  -141171.910523-1.3000113.3
577S33.9Very low33.2Very low105 Ų105141.1 Ų141.173%0.73476%0.757SS**  cis117.397-8.177.40000118
578I33Very low33.3Very low156 Ų156140.2 Ų140.280%0.874%0.744SS**  trans-162.6124167.2-101.6152.7000107.2
579L30.8Very low33.7Very low139 Ų139135.9 Ų135.973%0.72874%0.735SS**  77.914478.2-105.171000114.9
580E35Very low33.6Very low168 Ų168136.7 Ų136.779%0.78573%0.733SS**  cis-170.2170.4-6.3-141.6168.8-122.600108.7
581D32.1Very low33.8Very low100 Ų100136.8 Ų136.854%0.53573%0.728SS.*  cis-119.2-106.3-9.7178.15.9000109R583D581-R583 IonicContact OD2-CZ 3.56Å; D581-R583 VanDerWaalsContact OD2-CZ 3.32Å; D581-R583 IonicContact OD2-NE 3.51Å; D581-R583 PolarHBondContact OD2-NE 3.35Å; D581-R583 IonicContact OD2-NH2 2.76Å; D581-R583 PolarHBondContact OD2-NH2 3.37Å
582L34.6Very low34Very low135 Ų135134.1 Ų134.171%0.70772%0.722SS**  cis-159.790.8-12.4-149.8-171.6000113.8
583R31.1Very low34Very low195 Ų195134.1 Ų134.174%0.73672%0.724SS**  trans47.3137.5147.1-58.8163.4-139.5-161.61.6122.9D581D581-R583 IonicContact OD2-CZ 3.56Å; D581-R583 VanDerWaalsContact OD2-CZ 3.32Å; D581-R583 IonicContact OD2-NE 3.51Å; D581-R583 PolarHBondContact OD2-NE 3.35Å; D581-R583 IonicContact OD2-NH2 2.76Å; D581-R583 PolarHBondContact OD2-NH2 3.37Å
584E32Very low34.3Very low169 Ų169130.5 Ų130.579%0.7972%0.72SS**  cis74.5153.748.1-78.6-839800114.7
585P40Very low34.4Very low93 Ų93130.2 Ų130.260%0.60472%0.718SS**  cis-149.6179.5-7.338.9-16.8000120.1
586L33.5Very low34.4Very low145 Ų145128.4 Ų128.476%0.75972%0.716SS**  84.5159.5129.3-92.8170.3000128.9
587N36Very low34.2Very low124 Ų124126.9 Ų126.966%0.66371%0.708SS**  trans78.9142.7162.9-74.637.6000121.3
588D35.7Very low34.2Very low112 Ų112129.4 Ų129.460%0.59971%0.711SS**  cis-172.9152.1-20.9-113-15.3000114
589T37.1Very low33.9Very low115 Ų115127 Ų12771%0.70671%0.709SS**  trans60.9164152.960.50000120.6
590D35.4Very low34.3Very low133 Ų133125.6 Ų125.671%0.71171%0.708SS**  cis-172.9176.1-16.7-102.39.9000108.7
591L36.4Very low34.2Very low138 Ų138124.9 Ų124.972%0.72371%0.709SS**  cis-162.4159.1-10.6-122.7174.3000111.4
592S35.4Very low34.2Very low105 Ų105128.1 Ų128.173%0.73472%0.72SS**  trans68.7161153.786.30000119.4
593S35Very low34.2Very low105 Ų105127.8 Ų127.873%0.73472%0.724SS**  cis-152.9135.1-10.527.70000109
594A34.9Very low34.3Very low94 Ų94124.3 Ų124.378%0.77772%0.724SS**  67.2143.795.100000116.3
595S33.1Very low34.1Very low94 Ų94123.4 Ų123.466%0.65773%0.725SS**  cis-178.9152.8-16.154.30000111.7
596I33.6Very low33.7Very low157 Ų157127.4 Ų127.481%0.80574%0.74SS**  trans57.3139.5133-68.5172.1000119.9
597S29.7Very low33.4Very low82 Ų82125.9 Ų125.957%0.57374%0.737SS**  cis-179.3-171.7-12.964.60000111.5
598I33.7Very low33.4Very low158 Ų158128 Ų12881%0.8175%0.746SS**  trans85.6141.9153.9-73.1162.1000119.3
599S27.8Very low33.1Very low107 Ų107129 Ų12975%0.74875%0.752SS**  trans-131.4-159.9178.9-320000107.4
600P39Very low33Very low109 Ų109132.8 Ų132.871%0.70876%0.762SS**  cis-125.6-174.9-33.230.9-10.8000111.2
601L33.1Very low33Very low153 Ų153134.2 Ų134.280%0.80176%0.764SS**  163.6169124.5-87.4166.5000113.8
602Q31.8Very low32.9Very low167 Ų167132.8 Ų132.878%0.7877%0.766SS**  trans-79.9164.9-171.6-53.6155.1-81.600113.3
603V33.7Very low32.9Very low128 Ų128134.4 Ų134.478%0.77677%0.765SS**  170.5131.8116.5151.40000113.8
604T32.8Very low33Very low123 Ų123135.8 Ų135.876%0.75576%0.762SS**  trans38.9129.1161.758.10000125.1
605N27.8Very low32.8Very low150 Ų150138 Ų13880%0.80276%0.761SS**  trans-6.5146.5139.4-50-6.5000120.3
606L31.4Very low32.9Very low177 Ų177138.7 Ų138.793%0.92776%0.762SS**  trans-152.9164.1130.1-110.7171.7000110.6
607T28.7Very low33Very low113 Ų113136.7 Ų136.769%0.69376%0.757SS**  trans-130.6136.7-166.1-44.60000112.1
608I34.7Very low33.2Very low167 Ų167138.7 Ų138.786%0.85676%0.761SS**  trans-138.7141.3167.5-59.9-176.9000109.2
609N30Very low33.2Very low133 Ų133138.6 Ų138.671%0.71176%0.757SS**  trans-111.3154.4176.9-78.3-35.9000110.6
610E35.5Very low33.5Very low195 Ų195138.9 Ų138.991%0.91176%0.759SS**  trans176.8166.4142.4-103.2164.4-157.100109.9
611Q33.9Very low33.6Very low164 Ų164138.9 Ų138.977%0.76676%0.759SS**  -167.1156.6-75.8-108.6-163.815.100108.1
612S35.6Very low33.4Very low108 Ų108140.5 Ų140.576%0.75576%0.76SS**  trans66.2162.1165.675.80000116.4
613I34.8Very low33.5Very low139 Ų139139 Ų13971%0.71376%0.758SS**  cis-140.9116.515.1-80.5-174.6000108.6
614I36.7Very low33.4Very low133 Ų133137.8 Ų137.868%0.68276%0.755SS**  82.8114.698.3-66169.4000118.4
615N31.5Very low33.3Very low141 Ų141137.4 Ų137.475%0.75476%0.757SS**  trans58.2168.5145.3-55-5.5000120.9
616T35.4Very low33.4Very low109 Ų109138.7 Ų138.767%0.66976%0.756SS**  cis-160.4142.915.5-22.10000114.3
617T35.9Very low33.3Very low115 Ų115135.4 Ų135.471%0.70674%0.743SS**  trans59.4158.2148.448.70000121.3
618N33.3Very low33.3Very low124 Ų124134.2 Ų134.266%0.66374%0.744SS**  cis-158.9155.3-4.8-119.3-20.3000114.1
619Q35Very low33Very low156 Ų156135.6 Ų135.673%0.72974%0.744SS**  trans56.4101.9142.3-66.6173.115.300124.8
620S32.8Very low32.8Very low113 Ų113134.5 Ų134.579%0.7974%0.742SS**  69.6158.5117.280.50000123.5
621P40.4Very low32.4Very low108 Ų108130.8 Ų130.870%0.70173%0.733SS**  trans-123.6176.3-158.344.1-31.9000116.6
622F30.5Very low32.3Very low188 Ų188131.3 Ų131.383%0.82574%0.735SS**  -179.9164.4129-108.3-73.9000114.4
623N33Very low32.1Very low136 Ų136132.4 Ų132.473%0.72774%0.737SS**  trans75.789.3156.8-64-16.3000123.4
624S32.1Very low32.2Very low102 Ų102130.7 Ų130.771%0.71374%0.735SS**  25.7122.9127.565.70000122.7
625S31.5Very low32Very low115 Ų115130.5 Ų130.580%0.80474%0.735SS**  148.2146.496.7640000117
626F29.8Very low32.1Very low176 Ų176130.8 Ų130.877%0.77273%0.732SS**  trans73.395.4151.3-134.3-117.3000122.6
627V28.9Very low31.9Very low109 Ų109132.9 Ų132.966%0.66173%0.734SS**  111.5128.7118.3116.30000121.3
628A28.3Very low31.9Very low87 Ų87134.3 Ų134.372%0.71974%0.736SS**  trans68.8110.1149.900000122
629K27.5Very low31.8Very low197 Ų197136 Ų13686%0.85775%0.745SS**  110.3130.1114.7-132.2-166.5179.8-175.50118.4
630V26.8Very low31.5Very low110 Ų110133.5 Ų133.567%0.66774%0.744SS**  trans75.3125.9159.2-1440000119
631T27.6Very low31.6Very low117 Ų117135.1 Ų135.172%0.71875%0.749SS**  trans70.4146.9152.731.80000123.5
632E30.6Very low31.2Very low174 Ų174135.7 Ų135.781%0.81376%0.756SS**  trans85.8116.6152.9-76.2156.6-145.600122.3
633V32.5Very low31.3Very low131 Ų131133 Ų13379%0.79476%0.755SS**  trans-27164.5149-90.20000116.8
634P36.3Very low31.2Very low104 Ų104132.2 Ų132.268%0.67576%0.755SS**  cis-145.2177.731.343.2-23.8000119
635N33.5Very low31.3Very low128 Ų128135 Ų13568%0.68476%0.76SS**  trans53.2156.3141.3-69.726.7000121.4
636E33.1Very low31.3Very low148 Ų148138.2 Ų138.269%0.69276%0.762SS**  cis-162.5-177.8-9.4-119.6173.4136.400111.3
637Q31.2Very low31.6Very low152 Ų152135 Ų13571%0.7176%0.761SS**  trans65.8113.9170.5-66.3170.69.100115.7
638I35.5Very low31.9Very low146 Ų146134.5 Ų134.575%0.74976%0.763SS**  cis73.6117.533-47.5172.3000114.1
639D31.2Very low32.2Very low160 Ų160134.9 Ų134.986%0.85677%0.766SS**  trans-147.1155.2140.3-152.7-10.4000110.3
640C29.3Very low32.4Very low103 Ų103130.5 Ų130.570%0.69676%0.76SS**  trans-145.8138.2-162.2-780000114.1
641T33.2Very low32.6Very low146 Ų146134.4 Ų134.490%0.89677%0.768SS**  trans-138.9127.1163.857.50000111.9
642S32Very low32.8Very low120 Ų120139 Ų13984%0.83977%0.774SS**  trans-155.8131.6173.6-175.60000111.5
643T34.1Very low33Very low132 Ų132137 Ų13781%0.8177%0.768SS**  trans-161.7149.1179.444.50000109.1
644V30.7Very low32.9Very low119 Ų119137 Ų13772%0.72176%0.764SS**  cis-166.4157.6-17.3121.60000105.5
645I34.6Very low32.7Very low162 Ų162137.2 Ų137.283%0.83176%0.763SS**  trans-179.5130142.6-96.5154.8000109.7
646E31.7Very low32.6Very low182 Ų182140.2 Ų140.285%0.8577%0.77SS**  trans-92.9-178.2174.2-55173.111700109.2
647S35Very low32.4Very low107 Ų107139.5 Ų139.575%0.74878%0.78SS**  cis-148.3-175.711.560.50000107.8
648S35.4Very low32.4Very low100 Ų100135.3 Ų135.370%0.69978%0.777SS**  cis-160.6162.540.3-66.40000111.3
649A33.7Very low32.1Very low95 Ų95136.1 Ų136.179%0.78578%0.783SS**  trans-89.7167-171.900000115.6
650S32.4Very low32.1Very low105 Ų105134.4 Ų134.473%0.73478%0.784SS**  -160.2160.3113.1-150.90000111.7
651K30.8Very low32.1Very low192 Ų192138.2 Ų138.284%0.83579%0.792SS**  trans-109.8-172.7-173.2-72.5-176.4176.3179.40112.6
652Y32.3Very low32.1Very low214 Ų214136 Ų13684%0.83978%0.779SS**  trans102.5135.2175.4-62.7-59.1000114.2
653L34Very low32.1Very low131 Ų131138.5 Ų138.569%0.68678%0.775SS**  cis-147.6142.90.4-142.7121.6000108.4
654D30.8Very low31.8Very low131 Ų131140.2 Ų140.270%0.70177%0.774SS**  trans36.3152.8147-60.6-1.6000123.1
655T32.3Very low31.8Very low109 Ų109143.3 Ų143.367%0.66978%0.783SS**  cis-158150.20.86.10000111.8
656K31Very low31.5Very low190 Ų190141.8 Ų141.883%0.82678%0.781SS**  trans43.5121.4145.8-71.2173.4-177.6-1800120.2
657C29.9Very low31.6Very low134 Ų134138.3 Ų138.391%0.90578%0.777SS**  81.5131.563.2-173.30000112.8
658G31.3Very low31.4Very low63 Ų63140.7 Ų140.765%0.64978%0.782SS**  cis-177.3-167.10.300000113.6
659D27.8Very low31.4Very low163 Ų163146 Ų14687%0.87279%0.792SS**  trans-71.4146.8-172.4-54.5-91.9000115.7
660S32.4Very low31.2Very low125 Ų125152.4 Ų152.487%0.87480%0.796SS**  trans-165.8148.21339.10000113
661Q28.1Very low31.2Very low183 Ų183155.3 Ų155.386%0.85580%0.802SS**  trans-116.2-178169.7-80.3-150.83.800109.2
662P34.8Very low31.3Very low98 Ų98150.8 Ų150.864%0.63679%0.792SS**  cis-130.1-178.8-21.719.74.1000113.2
663K31.8Very low31.2Very low174 Ų174150.3 Ų150.376%0.75779%0.791SS**  138133.3129.4-74.6-167.4177.6-169.40116.1
664E27Very low30.8Very low167 Ų167150.6 Ų150.678%0.7879%0.792SS**  trans22.8115.3142.6-57.2172.2113.600119.8
665M30.1Very low30.7Very low184 Ų184150 Ų15091%0.90679%0.793SS**  -164.1160.696.2-103.4174.666.800113.4
666T29.5Very low30.4Very low130 Ų130152.1 Ų152.180%0.79880%0.8SS**  trans-80.2144.1-167.652.30000115.2
667S33.5Very low30.2Very low110 Ų110147.7 Ų147.777%0.76979%0.793SS**  -173.4115.5118.660.80000115.5
668N30.8Very low30.1Very low157 Ų157149.6 Ų149.684%0.8479%0.788SS**  trans14.7121.8147.3-63.9-34.8000121.7
669K34.6Very low29.9Very low211 Ų211153.1 Ų153.192%0.91780%0.798SS**  -160.975.2126.3-108.5161.3-171174.40115.4
670R29.8Very low30Very low230 Ų230150.2 Ų150.287%0.86879%0.79SS**  49.7106.4128.7-167.5-171.6-158.41756.8120
671L31.7Very low29.8Very low166 Ų166149 Ų14987%0.86978%0.781SS**  -173.5130.6122.4-102.4163.6000112.2
672P33.3Very low29.9Very low96 Ų96151.7 Ų151.762%0.62379%0.785SS**  trans-130.4-171.1-176.332.1-10.1000116.1
673Y30.7Very low29.6Very low204 Ų204154.2 Ų154.280%0.879%0.788SS**  trans78.8135.4177.3-58.2-86.5000116.1
674L26.3Very low29.5Very low137 Ų137155.8 Ų155.872%0.71780%0.795SS**  cis99.4100.422.5-72.6173.8000116.5
675T27.2Very low29.5Very low118 Ų118155.4 Ų155.472%0.72479%0.792SS**  trans59.6144.8136.256.90000123.7
676L26.9Very low29.6Very low155 Ų155152 Ų15281%0.81278%0.783SS**  trans94111.8147.4-86.4159.5000121.7
677S27Very low29.5Very low97 Ų97152.5 Ų152.568%0.67878%0.776SS**  trans75.5131.8135.356.80000123.9
678Q26.5Very low29.3Very low174 Ų174154.8 Ų154.881%0.81378%0.775SS**  trans78.3122147-73.4-178.612.700122
679T28.7Very low29.1Very low137 Ų137158.7 Ų158.784%0.8478%0.78SS**  trans66.8154.615360.40000117.9
680S29.2Very low28.8Very low102 Ų102157.6 Ų157.671%0.71377%0.77SS**  cis-142.4155.6-452.40000112.6
681S27.3Very low28.8Very low99 Ų99149.5 Ų149.569%0.69276%0.758SS**  trans-5.6130.7158.2-47.40000120.1
682Y30.4Very low28.7Very low239 Ų239147.3 Ų147.394%0.93775%0.752SS**  trans-137.5144.6134.6-100.1-79.7000110.5
683H28.8Very low28.4Very low151 Ų151154.3 Ų154.370%0.69977%0.767SS**  trans-89.5149.2-175.4-88.9-105000112.7
684F29.9Very low28.3Very low207 Ų207153 Ų15391%0.90877%0.768SS**  trans-145.4141.2134-124.5-86.3000110.4
685F26.5Very low28.6Very low160 Ų160154 Ų15470%0.70277%0.774SS**  trans-146.1143.4-177.8-120-63.7000108.1
686P32.2Very low28.6Very low112 Ų112153.9 Ų153.973%0.72778%0.779SS**  -117.6124.8126.6-6.326.1000108.9
687Q28.7Very low28.9Very low140 Ų140154.5 Ų154.565%0.65478%0.782SS**  50.196.972.3-62.9-134.218.500111.9
688Q28.6Very low29.3Very low158 Ų158159.3 Ų159.374%0.73879%0.79SS**  88.5112.297.5-78.6-167.322.500112.2
689Y27.8Very low29.4Very low240 Ų240156.1 Ų156.194%0.94179%0.788SS**  trans-148.6129.6139.7-110.5-73.6000110.7
690R26.9Very low29.6Very low187 Ų187156.2 Ų156.271%0.70678%0.783SS**  trans-14977.9178-164.7-173.1-164.2-144.310109.9F791R690-F791 VanDerWaalsContact CZ-CD2 3.43Å; R690-F791 VanDerWaalsContact NH2-CG 3.32Å
691G30.1Very low29.6Very low61 Ų61158.7 Ų158.763%0.62978%0.783SS**  trans-117120166.600000107.8
692V29.8Very low29.6Very low120 Ų120158.9 Ų158.973%0.72778%0.78SS**  62.292.171.2-177.80000110.5Q694V692-Q694 HydrophobicContact CG1-CB 4.37Å; V692-Q694 PolarHBondContact O-N 3.22Å
693Y26.7Very low29.6Very low243 Ų243154.2 Ų154.295%0.95377%0.771SS**  trans-68.9118.3156.3-84.9-94.6000108.1
694Q29.9Very low29.6Very low175 Ų175151.8 Ų151.882%0.81877%0.767SS**  trans-138.7154.4160.7-127.2175.4-7.300109.1V692V692-Q694 HydrophobicContact CG1-CB 4.37Å; V692-Q694 PolarHBondContact O-N 3.22Å
695N30.8Very low29.6Very low159 Ų159151.1 Ų151.185%0.8576%0.76SS**  trans-70.5147.7-160.4-68.9-28.9000113.5L697N695-L697 PolarHBondContact O-N 3.15Å
696S28.4Very low29.7Very low116 Ų116149.9 Ų149.981%0.81176%0.761SS**  trans-65.4122.2169.2-176.60000110.6
697L33.5Very low29.7Very low168 Ų168150.7 Ų150.788%0.8876%0.764SS**  trans-131.4117.9160.1-95.7165.1000106.9N695N695-L697 PolarHBondContact O-N 3.15Å
698K34.2Very low29.9Very low197 Ų197147.1 Ų147.186%0.85777%0.765SS**  trans-73.8144.5172.2-83.9-170.2171.5-172.30109.8
699S28.9Very low30.1Very low108 Ų108147.5 Ų147.576%0.75577%0.77SS**  trans-80127.3174.553.70000112
700D33.2Very low30.3Very low139 Ų139141.9 Ų141.974%0.74376%0.761SS**  trans-161.2145.5154.3-92.5-39.3000106.9
701Q29Very low30.8Very low154 Ų154137.9 Ų137.972%0.7276%0.761SS**  cis-162.5161.6-23.3-148.9-177.210100108.2
702T28.3Very low31.1Very low102 Ų102140.3 Ų140.363%0.62677%0.769SS**  trans69.3149164.774.60000120.4
703N28.8Very low31.6Very low141 Ų141137.8 Ų137.875%0.75477%0.767SS**  trans69.3142.4144.8-65.7-9.5000122.2
704T29.1Very low32.2Very low100 Ų100133.5 Ų133.561%0.61377%0.766SS**  cis-163.2155.2-41.1-2.90000110.3
705Y29.2Very low32.6Very low194 Ų194128.1 Ų128.176%0.76176%0.758SS**  trans54.1128.6153.9-70.6-59000122.7
706N30.2Very low33.1Very low133 Ų133128.4 Ų128.471%0.71176%0.759SS**  trans68.5153.7133.5-64.6-0.8000120.9
707T31.5Very low33.4Very low130 Ų130127.4 Ų127.480%0.79875%0.751SS**  cis-177.7134.6-38.934.80000106.9
708G34Very low33.4Very low65 Ų65124 Ų12467%0.6774%0.742SS**  trans162.8128.5167.100000111.9
709I32.5Very low33.4Very low166 Ų166122.6 Ų122.685%0.85174%0.743SS**  77.6118.753.1-66.2173.4000110.4
710V32Very low33.6Very low122 Ų122122.8 Ų122.874%0.73974%0.744SS**  cis-166.3170.5-5.692.50000111.5
711S36Very low34.2Very low103 Ų103121.5 Ų121.572%0.7274%0.743SS**  trans68.4158.9161.7-82.60000120
712S37.4Very low34.3Very low112 Ų112121.7 Ų121.778%0.78375%0.749SS**  cis-169.2154.8-27.251.70000112.3
713G39.2Very low34.5Very low67 Ų67123.5 Ų123.569%0.69175%0.753SS**  trans104.4145.5154.300000117.7
714T41Very low34.5Very low152 Ų152121.4 Ų121.493%0.93375%0.746SS**  cis-173.8149-24.22.70000107.9
715G38.1Very low34.5Very low63 Ų63123.5 Ų123.565%0.64975%0.754SS**  trans119.576.817800000112.8
716L39.8Very low34.4Very low165 Ų165118.3 Ų118.386%0.86475%0.746SS**  65132.176.6-57.6172.2000113.5
717S36.5Very low34.4Very low94 Ų94120.5 Ų120.566%0.65775%0.751SS**  cis-163136.7-1547.40000111.4
718S33.1Very low34.2Very low98 Ų98119.9 Ų119.969%0.68575%0.748SS**  -9.8154128.345.90000117.2
719L34.7Very low34Very low166 Ų166122.2 Ų122.287%0.86975%0.749SS**  -156.4169.468.8-87.6164.6000114.4
720S32.4Very low33.7Very low112 Ų112118.9 Ų118.978%0.78374%0.74SS**  trans-105-133.2-169.1-59.20000113.3
721P44.6Very low33.8Very low113 Ų113121.4 Ų121.473%0.73474%0.741SS**  -115.3-177.4-111.937.8-21.8000113
722L32.2Very low33.6Very low158 Ų158123.5 Ų123.583%0.82774%0.739SS**  trans-156.6145.9151.1-132.976000113.8
723L32.5Very low33.1Very low139 Ų139127.6 Ų127.673%0.72875%0.746SS**  trans8159.3144.6-86.766.5000121.6
724T28.5Very low32.9Very low97 Ų97130.9 Ų130.960%0.59575%0.748SS**  cis177.6161.3-24.526.60000106.9
725N28.7Very low32.5Very low145 Ų145132.5 Ų132.578%0.77575%0.745SS**  trans65.8166155.7-66.5-7.9000116.4
726S27.1Very low32.5Very low85 Ų85134.4 Ų134.459%0.59475%0.745SS**  cis-169.2164.1-33.3-91.60000107.7
727Q29.8Very low32.1Very low178 Ų178132.1 Ų132.183%0.83274%0.738SS**  trans67.3155.4154.5-79.91692.200117.4
728T27.3Very low31.7Very low117 Ų117136.7 Ų136.772%0.71875%0.747SS**  cis-161.3-167.3-37.6120000107.2
729V30.7Very low31.7Very low115 Ų115141.1 Ų141.170%0.69776%0.757SS**  trans82.586.5155.1-164.50000117
730S27.3Very low31.4Very low96 Ų96138.3 Ų138.367%0.67175%0.751SS**  32.7147.7124.661.70000120.9
731K32.1Very low31.5Very low174 Ų174140.8 Ų140.876%0.75775%0.753SS**  -169.3150.372.2-86.5178.9-176.3174.70114.5
732H32.8Very low30.8Very low147 Ų147142.4 Ų142.468%0.68176%0.756SS**  trans42.1113150.7-71.5-99.8000120.2N734H732-N734 PolarHBondContact ND1-OD1 3.44Å
733E27.6Very low30.9Very low198 Ų198142.6 Ų142.693%0.92576%0.756SS**  -92.8142127.7-75.8-168.2131.600108.9
734N34.7Very low30.9Very low136 Ų136141 Ų14173%0.72776%0.757SS**  trans-111.3115174.6-73.2-19.7000110.1H732H732-N734 PolarHBondContact ND1-OD1 3.44Å
735H32.8Very low31.3Very low187 Ų187140.9 Ų140.987%0.86677%0.765SS**  trans-71.2172152.5-101-48.5000110.3
736P37.3Very low31.4Very low103 Ų103139.3 Ų139.367%0.66977%0.766SS**  cis-132-164.2-14.933-12.5000112
737T32Very low32Very low116 Ų116140.4 Ų140.471%0.71277%0.771SS**  150.2139.8122.3-600000113.3
738F28.2Very low32.3Very low191 Ų191136.8 Ų136.884%0.83877%0.765SS**  trans-17.5152.2161.2-64.1-111.1000117.4
739Q33.3Very low33Very low191 Ų191138.6 Ų138.689%0.89377%0.769SS**  -156.2172.657.7-78.8-178.8-800115.1
740S27.2Very low33.3Very low107 Ų107138.6 Ų138.675%0.74877%0.771SS**  trans-90.8163.8179.249.70000114
741I35Very low33.5Very low163 Ų163140.7 Ų140.784%0.83677%0.774SS**  trans-171.4155.7142.1-100.6152.1000111
742N29.8Very low33.7Very low148 Ų148141.5 Ų141.579%0.79178%0.781SS**  trans-79.9172.2-179.7-60-51.8000113.4
743I34.8Very low33.5Very low161 Ų161139.6 Ų139.683%0.82678%0.78SS**  -178.9160.6117.3-91.8156.7000112.4
744S32.3Very low33.7Very low107 Ų107141.4 Ų141.475%0.74878%0.778SS**  trans-68.4176.4-178.253.40000114.1
745A35.7Very low33.5Very low93 Ų93140.4 Ų140.477%0.76978%0.777SS**  cis-164.5-17635.500000115.4
746S30.8Very low33.4Very low113 Ų113137.5 Ų137.579%0.7977%0.773SS**  trans-101.9-153.9174-41.40000110
747P41.3Very low33.1Very low108 Ų108141.8 Ų141.870%0.70178%0.784SS**  cis-146.9174.25.942.1-20.7000119.9
748S36.2Very low33Very low102 Ų102144.9 Ų144.971%0.71379%0.788SS**  trans67.9176.7140.669.80000120.1
749I41.6Very low33.1Very low155 Ų155142.6 Ų142.680%0.79578%0.784SS**  cis-119.9-99.33.4-39.2162.1000115.6
750P36.5Very low33.1Very low114 Ų114138.2 Ų138.274%0.7477%0.774SS**  trans-128.8-164.3-142.134.2-8.9000117.7
751L32.3Very low33.5Very low140 Ų140137.7 Ų137.773%0.73377%0.771SS**  trans-116172.4-178.3-66.363.5000112.1
752Q34.8Very low33.4Very low191 Ų191136.9 Ų136.989%0.89377%0.768SS**  trans-149.3161.2132.8-115.7178.215.100112.6
753T30.4Very low33.7Very low108 Ų108134.8 Ų134.866%0.66376%0.761SS**  trans-94.7177.5-173.249.70000112.5
754W31.4Very low33.7Very low235 Ų235133.2 Ų133.289%0.8975%0.754SS**  -165.6175.189.2-102.171.9000112
755T30.9Very low33.8Very low116 Ų116135.2 Ų135.271%0.71276%0.756SS**  trans-118.4144.4-158.834.50000117.1
756T29.6Very low33.7Very low126 Ų126135.2 Ų135.277%0.77375%0.751SS**  trans50.9117.2137.6-49.20000120.6
757Q31.2Very low33.8Very low193 Ų193134.6 Ų134.690%0.90275%0.746SS**  -163.3167.7116.1-109.4-175.920.400114.4
758K30.1Very low33.5Very low181 Ų181137.9 Ų137.979%0.78775%0.75SS**  trans-83.2150.3-179.1-52.4167.3179.1173.10110.7
759N30.8Very low33.4Very low142 Ų142139.6 Ų139.676%0.75975%0.751SS**  175.8151.1102.9-94.2-21.6000115
760S32.9Very low33.2Very low99 Ų99138 Ų13869%0.69275%0.754SS**  trans61.9135.7142.6-59.70000123.8
761S35.1Very low33Very low97 Ų97142.7 Ų142.768%0.67876%0.762SS**  trans70.1103.6133.264.50000121.3
762N32.9Very low33Very low145 Ų145141.9 Ų141.978%0.77577%0.768SS**  90.1137.3111.8-76.32.8000122.8
763T36.4Very low32.8Very low104 Ų104142 Ų14264%0.63876%0.761SS**  trans73.5112.1140490000121.3
764N34.7Very low33Very low128 Ų128148.7 Ų148.768%0.68477%0.774SS**  74.2124.1120.8-58.3-4.8000120
765N33.6Very low32.8Very low149 Ų149145.4 Ų145.480%0.79776%0.763SS**  trans69.1151134.4-62.5-7.7000118.5
766S34.2Very low32.8Very low93 Ų93151 Ų15165%0.6577%0.772SS**  cis-167.8138.9-19.548.10000111.6
767S32.6Very low33Very low100 Ų100152.9 Ų152.970%0.69977%0.772SS**  trans70.6160.6147.1810000120.5
768K36.2Very low33.1Very low177 Ų177149.2 Ų149.277%0.7777%0.765SS**  trans77.6101.7159-64.4178.4-177.3178.50119.6
769D34.3Very low33.8Very low139 Ų139146.6 Ų146.674%0.74377%0.767SS**  53.4114.5117.5-51.3-43.9000119.8
770S35.7Very low33.7Very low122 Ų122147.2 Ų147.285%0.85377%0.77SS**  -165.4149.995-84.80000114.5
771K32Very low34Very low211 Ų211151.6 Ų151.692%0.91778%0.779SS**  trans-72.3146.2-177.2-57.7145.2-177.1164.50111.3
772S33.8Very low33.9Very low123 Ų123154.8 Ų154.886%0.8678%0.783SS**  trans-146.8142.8138.2-161.70000111.3
773R30.2Very low33.9Very low193 Ų193159.9 Ų159.973%0.72879%0.791SS**  trans-89.7149.1-178.6-70.8179.8173.8-179.5-0110.6Y775R773-Y775 PolarHBondContact NH1-OH 3.36Å; R773-Y775 VanDerWaalsContact NH1-OH 3.16Å
774R33.8Very low33.5Very low250 Ų250163.1 Ų163.194%0.94380%0.796SS**  trans-144.2147.4134.7-133.5172.6-75.7-169.1-0.9110.6
775Y28.7Very low33.4Very low166 Ų166163 Ų16365%0.65181%0.805SS**  trans-86.5150-172.7-75.2-118.1000110.9R773R773-Y775 PolarHBondContact NH1-OH 3.36Å; R773-Y775 VanDerWaalsContact NH1-OH 3.16Å
776Y30.6Very low33.2Very low233 Ų233161 Ų16191%0.91480%0.799SS**  trans-143.5134.7145.3-110.4-82.5000109.7
777Q32.2Very low33Very low166 Ų166166.7 Ų166.778%0.77681%0.813SS**PPolyproline II helixtrans-98.8148.4175-70.6174.2-46.200110
778P33.4Very low32.7Very low116 Ų116165.9 Ų165.975%0.75381%0.807SS**PPolyproline II helixtrans-82.7133.9172.232.7-32.3000111.3N780P778-N780 PolarHBondContact O-N 3.16Å
779P45.3Very low32.4Very low126 Ų126165 Ų16582%0.81881%0.81SS**PPolyproline II helixtrans-79.8119171.730.8-31.9000110.9
780N29.9Very low32Very low154 Ų154165.8 Ų165.882%0.82481%0.809SS**PPolyproline II helixtrans-79.6130163.4-92.5-42.2000109.6P778P778-N780 PolarHBondContact O-N 3.16Å
781H38.8Very low31.7Very low191 Ų191166.7 Ų166.788%0.88480%0.798SS**  trans-145.5129.3152.3-106.8-74000111.8
782H32.5Very low31.6Very low165 Ų165161.8 Ų161.876%0.76479%0.788SS**  trans-75.2144.9176.8-65.4-62.2000112.1
783R33Very low31.2Very low252 Ų252163.5 Ų163.595%0.95178%0.784SS**  -139.8136.3122.3-107178.2-176.2-165.9-0.3109.8
784K27.9Very low31.3Very low171 Ų171162.1 Ų162.174%0.74379%0.791SS**  trans-94.6149.4177-59.7175.1-178.1175.20108.9T786K784-T786 HydrophobicContact CB-CG2 4.43Å
785S32.3Very low31.1Very low125 Ų125156.2 Ų156.287%0.87478%0.777SS**  trans-121.5144.6138.461.20000107.7
786T29.1Very low31.3Very low109 Ų109153.9 Ų153.967%0.66979%0.785SS**  trans-125.2136.4-170.946.50000110.1K784K784-T786 HydrophobicContact CB-CG2 4.43Å
787F30.7Very low31.3Very low212 Ų212151.5 Ų151.593%0.9378%0.782SS**  trans-134.1125.2144-121.6-87.1000109
788S26Very low31.4Very low83 Ų83148.8 Ų148.858%0.5878%0.781SS**  trans-112.4144.4175.41770000108.2
789L30.6Very low31.2Very low158 Ų158149.4 Ų149.483%0.82778%0.782SS**  trans-141112.5146.8-106.6171.7000108.7
790Q26.3Very low30.3Very low156 Ų156148.9 Ų148.973%0.72978%0.78SS**  trans-66.7164.8172.6-112142.6-78.300111.4
791F28.1Very low30.3Very low140 Ų140149.8 Ų149.861%0.61478%0.779SS**  -176158.6121.9-89.8-64.9000107.2R690R690-F791 VanDerWaalsContact CZ-CD2 3.43Å; R690-F791 VanDerWaalsContact NH2-CG 3.32Å
792P30.7Very low30Very low109 Ų109146 Ų14671%0.70877%0.772SS**  trans-117.1157.4-131.137-23.7000114.5
793M26Very low30.1Very low159 Ų159146 Ų14678%0.78378%0.776SS**  trans-69.3147.4152.7-68.8-147.4-57.700109.5I795M793-I795 HydrophobicContact CE-CD1 4.17Å
794N31.3Very low30Very low163 Ų163139.3 Ų139.387%0.87277%0.768SS**  trans-139128.6154.3-134.7-1.8000108.8
795I28.9Very low30.2Very low127 Ų127137.5 Ų137.565%0.65177%0.771SS**  trans-119.1126179.2-62.5171.5000106.5M793M793-I795 HydrophobicContact CE-CD1 4.17Å
796S33.2Very low30.1Very low116 Ų116135.6 Ų135.681%0.81176%0.758SS**  trans-134.6126.9171.347.50000110.9
797H31.2Very low30.1Very low184 Ų184138.4 Ų138.485%0.85277%0.768SS**  trans-101.2125.2175.4-98.4-108000109.6
798S34.4Very low30.1Very low109 Ų109132.7 Ų132.776%0.76276%0.755SS**  trans-159.878.4166.959.40000114.1
799V28.7Very low30.2Very low128 Ų128135.3 Ų135.378%0.77676%0.762SS**  trans21.2119.2132.9-174.20000119.6
800C27.2Very low30.4Very low116 Ų116136 Ų13678%0.78476%0.761SS**  trans62.5155.8150.8-70.30000120
801Q29.2Very low30.5Very low172 Ų172137.9 Ų137.980%0.80476%0.762SS**  cis-141.3167.5-10.4-85.4-144.7-18.400108.8
802P33.2Very low30.9Very low112 Ų112138.2 Ų138.273%0.72777%0.765SS**  trans-97.2145.717736.7-32.5000114.7
803I33.7Very low31Very low164 Ų164138.2 Ų138.284%0.84176%0.759SS**  trans-135.9149164.5-61.6-177.7000108.8
804S30.5Very low31.5Very low112 Ų112138 Ų13878%0.78376%0.757SS**  trans-128.9132.5179.1-62.80000112
805T32.3Very low31.5Very low133 Ų133136.1 Ų136.182%0.81675%0.746SS**  trans-178.4162.6156.229.80000108.7
806S30.6Very low31.8Very low85 Ų85138.5 Ų138.559%0.59475%0.754SS**  cis-179.1139.7-45.750.70000108.8
807L30Very low31.7Very low168 Ų168140.5 Ų140.588%0.8875%0.75SS**  trans65.4156.3165.2-63155.4000115.3
808S29Very low31.7Very low93 Ų93141.6 Ų141.665%0.6575%0.753SS**  cis-159.4154.7-16.846.40000111
809N30Very low31.4Very low137 Ų137140.9 Ų140.973%0.73375%0.748SS**  trans19.9130.3148.3-53.1-7.5000119.8
810H33.2Very low31.5Very low174 Ų174142.4 Ų142.481%0.80675%0.75SS**  -162.4162.699.1-111.8-84.9000114.2
811Y29.9Very low31.7Very low194 Ų194144.7 Ų144.776%0.76175%0.754SS**  trans-65.7176.3177.5-70.2-94.7000113.7
812H36.5Very low31.7Very low147 Ų147144.1 Ų144.168%0.68175%0.751SS**  cis-159.7-178.426.4-15073.1000114.2
813N32.4Very low31.9Very low109 Ų109145 Ų14558%0.58376%0.757SS**  trans-44.8157.7-179.9-60.5-34.1000116.9
814H37.2Very low31.9Very low156 Ų156143.4 Ų143.472%0.72275%0.749SS**  -164.9163.961.2-98.6-76.2000117.8
815N31.1Very low32Very low123 Ų123142 Ų14266%0.65875%0.752SS**  trans-20.7142.6165.2-49-13.6000117.7
816H35.1Very low32.1Very low177 Ų177142.4 Ų142.482%0.81975%0.748SS**  -163.7172.578.6-110.6-90.3000116.1
817H29.9Very low32.3Very low157 Ų157147.1 Ų147.173%0.72776%0.763SS**  trans-31.5138.2171.8-106.3-126.5000117.3
818F32Very low32.6Very low207 Ų207144.5 Ų144.591%0.90876%0.756SS**  -171.4149.8115.8-111.3-74.6000112.2
819S26.9Very low32.8Very low95 Ų95145.5 Ų145.566%0.66476%0.763SS**  trans-101.9148.6-175.7-500000113.3
820I31.9Very low33.2Very low159 Ų159144.9 Ų144.982%0.81577%0.766SS**  trans-179.7101154.2-94.7146.9000105.5
821L30.8Very low33Very low164 Ų164144.3 Ų144.386%0.85977%0.769SS**  74.8128.287-74.9174000115.3
822Q30.2Very low33.2Very low160 Ų160142.4 Ų142.475%0.74877%0.77SS**  trans-103.4152.8174-67.3-176-16.300111.1
823P37.3Very low33Very low131 Ų131143.9 Ų143.985%0.85178%0.775SS**  trans-89.6104.2163.433.3-28.5000111.3
824I32.7Very low33Very low130 Ų130145.5 Ų145.567%0.66778%0.784SS**  trans-89123.5163.8-68173.5000108.1I826I824-I826 HydrophobicContact CG2-CD1 3.89Å; I824-I826 HydrophobicContact CG2-CG1 3.93Å
825G33Very low32.7Very low83 Ų83143 Ų14386%0.85678%0.78SS**  trans-102.787.2-179.500000112.8
826I34.8Very low32.7Very low141 Ų141143.8 Ų143.872%0.72378%0.784SS**  trans-109.2128.1169.9-64.2167.9000108.1I824I824-I826 HydrophobicContact CG2-CD1 3.89Å; I824-I826 HydrophobicContact CG2-CG1 3.93Å
827M34.8Very low32.6Very low184 Ų184142.7 Ų142.791%0.90678%0.779SS**PPolyproline II helixtrans-94.3130.3167.7-77.3-164.569.200110.3
828P35.4Very low32.7Very low114 Ų114141.3 Ų141.374%0.7478%0.777SS**PPolyproline II helixtrans-87.8161.5-175.835.3-36.2000113.4
829S34.2Very low32.5Very low113 Ų113141 Ų14179%0.7977%0.771SS**PPolyproline II helixtrans-72150.1164.2-62.40000111.1N831S829-N831 PolarHBondContact O-N 3.5Å
830P37.7Very low32.6Very low125 Ų125142.7 Ų142.781%0.81277%0.772SS**PPolyproline II helixtrans-77.6116.9175.431-32.9000111.4
831N30.5Very low32.8Very low162 Ų162143.3 Ų143.387%0.86677%0.771SS**  trans-160.7106.9156.5-103.5-17.5000107.4S829S829-N831 PolarHBondContact O-N 3.5Å
832I33.6Very low33.4Very low153 Ų153140.3 Ų140.379%0.78576%0.762SS**  trans-136.5110.7-176.8-79.4-176000110.1
833F32.7Very low33.4Very low178 Ų178139.9 Ų139.978%0.78176%0.76SS**  trans55.8135.1147.1-67.3-102.1000119.6
834D31Very low33.1Very low143 Ų143139.7 Ų139.777%0.76575%0.747SS**  63.1132.857.1-88.2-32000113.2
835T31.2Very low33Very low105 Ų105139.6 Ų139.664%0.64475%0.748SS**  cis-138.81597.754.70000112.3
836N30.4Very low33Very low138 Ų138142.8 Ų142.874%0.73874%0.741SS**  163.2126.3123.5-80.9-11.5000114.7
837H33.7Very low32.9Very low155 Ų155139.6 Ų139.672%0.71873%0.731SS**  trans53.6112.6149.2-72.5-80.3000123.5
838D31.3Very low32.8Very low127 Ų127141 Ų14168%0.67973%0.726SS**  84.283.6122.5-56.2-12.8000124.2
839Y29.3Very low32.5Very low202 Ų202139.6 Ų139.679%0.79272%0.719SS**  57.997.6114.8-85.6-94.4000122.6
840L29.1Very low32.3Very low130 Ų130143.9 Ų143.968%0.68172%0.719SS**  52.9118.1117.2-87.8101.6000122.3
841H35.7Very low32Very low171 Ų171144.4 Ų144.479%0.79271%0.714SS**  59.3178.8119.1-91.8-60.1000120.5
842P43.3Very low32Very low102 Ų102139.8 Ų139.866%0.66270%0.704SS**  cis-133.2-146.5-27.131.2-7.8000112.3
843E29.9Very low31.8Very low151 Ų151141 Ų14171%0.70671%0.706SS**  trans88.7146158.6-54.1-133.5107.600117.8
844Q30.1Very low31.7Very low127 Ų127137.4 Ų137.459%0.59370%0.699SS**  cis-159.6172.1-1.4-133.3-179.739.400113.9
845N31.5Very low31.6Very low128 Ų128136.8 Ų136.868%0.68470%0.696SS**  trans68.4155.3154.3-61.7-24.5000118.5
846E33.7Very low31.7Very low149 Ų149140.3 Ų140.370%0.69670%0.702SS**  cis-161.4171.3-14.7-116.9-89.1-83.600105.4
847S33.1Very low31.7Very low75 Ų75138.4 Ų138.452%0.52470%0.7SS.*  cis-158.3165.57.564.90000113.7
848R31.3Very low31.7Very low214 Ų214137.1 Ų137.181%0.80870%0.703SS**  trans58.3160.3137.6-77.1167.6-175-170.9-0.4121.3
849S28.8Very low31.8Very low83 Ų83142.1 Ų142.158%0.5871%0.712SS**  cis-176.5168.3-29.551.20000112.1
850Y31.6Very low32Very low203 Ų203137.1 Ų137.180%0.79671%0.707SS**  trans79150.1169.6-72.3-97.1000119.3
851I29.5Very low32.4Very low136 Ų136136.3 Ų136.370%0.69771%0.71SS**  -178.1136.7-50.1-103.8158.7000108.7
852G31.1Very low32.1Very low65 Ų65134.1 Ų134.167%0.6770%0.703SS**  trans79.2170.5152.700000119.5
853H30Very low31.4Very low179 Ų179137.1 Ų137.183%0.82971%0.708SS**  cis-166.6163.9-15.6-134-85.7000112.4
854V30.6Very low31.3Very low103 Ų103133.6 Ų133.662%0.62470%0.7SS**  trans74.2112.8161.9-147.80000121.4
855N29.5Very low31.1Very low130 Ų130135.3 Ų135.370%0.69571%0.713SS**  14.6160.3127-38.4-21.8000120.5
856F31.7Very low30.9Very low179 Ų179134 Ų13479%0.78571%0.714SS**  cis-140.4139.926-82.7-102.4000110.1
857S30.2Very low30.6Very low97 Ų97135.3 Ų135.368%0.67872%0.72SS**  79.4118.160.9-171.20000116
858T33.9Very low30.4Very low129 Ų129140.1 Ų140.179%0.79173%0.734SS**  -171136.7127.315.70000112.4
859R34.1Very low30.1Very low231 Ų231136.7 Ų136.787%0.87273%0.732SS**  trans53.3101.1165-59.1-179178.7-168.3-1.6116.8
860S34.1Very low30.1Very low97 Ų97140.3 Ų140.368%0.67874%0.743SS**  cis66.7152.224.595.20000116.1
861P36.8Very low29.9Very low114 Ų114138.8 Ų138.874%0.7474%0.74SS**  cis-116.6165.9-3.942.4-30.2000113.1
862L29.5Very low29.8Very low124 Ų124140 Ų14065%0.64974%0.741SS**  cis84.9125.120.8-60.6176.4000117.4
863Q29.3Very low29.7Very low165 Ų165146 Ų14677%0.77175%0.748SS**  64.6176.8127.8-71.4172.1-22.500120.1
864S27.4Very low29.6Very low78 Ų78141.2 Ų141.255%0.54574%0.735SS.*  cis-179.5161.6-47.168.20000108.2
865L26Very low29.5Very low163 Ų163145.1 Ų145.185%0.85374%0.744SS**  trans63.3169.9168.8-62.5164.5000113.4
866S26.4Very low29.6Very low100 Ų100144.9 Ų144.970%0.69975%0.747SS**  cis-156.4168.3-28.344.20000109.6
867Q28.3Very low29.6Very low177 Ų177140.5 Ų140.583%0.82774%0.739SS**  trans-14.2131.5165.8-55172.55.600117.9
868Q27.5Very low29.7Very low175 Ų175142.6 Ų142.682%0.81874%0.743SS**  -175.8121.6118.3-101.4173.534.900113.9
869N25.9Very low29.4Very low143 Ų143141.1 Ų141.177%0.76574%0.738SS**  trans52.4174.1136-63.3-21.1000123
870I28.9Very low29.4Very low159 Ų159135.8 Ų135.882%0.81573%0.731SS**  trans72.390.8168.8-49-177.2000114.7
871F26.5Very low29.1Very low170 Ų170137.7 Ų137.775%0.74674%0.739SS**  81.2107.882.2-106.3-125000116.8
872K27.5Very low28.9Very low163 Ų163135.5 Ų135.571%0.70974%0.737SS**  trans62.4144132.4-68.2-168.8-177.1179.10122
873K29.2Very low29Very low189 Ų189136.2 Ų136.282%0.82275%0.746SS**  trans78.9127.3162.6-65.2176.1175.9-176.40116.2
874S28.4Very low29.2Very low79 Ų79133.1 Ų133.155%0.55274%0.743SS**  cis108.5147.61073.40000114.4
875F29.1Very low29.7Very low186 Ų186137.2 Ų137.282%0.81675%0.751SS**  trans70.5143.7-176-52.8-79000111.8
876T30.7Very low30.2Very low124 Ų124136.1 Ų136.176%0.76174%0.741SS**  cis-162.5173.41.93.60000108.3
877S32.3Very low30.6Very low88 Ų88136.8 Ų136.862%0.61574%0.737SS**  cis-166.6151.8433.40000110.1
878N32.4Very low31Very low140 Ų140134.4 Ų134.475%0.74973%0.73SS**  trans57.9130.7149-53.60.4000118.9
879S27.4Very low31.4Very low99 Ų99130.8 Ų130.869%0.69272%0.72SS**  cis80.8156.632.7880000115.9
880T33Very low31.8Very low118 Ų118134.2 Ų134.272%0.72472%0.724SS**  trans92.689.1-175.7-36.20000112.5
881T29.2Very low32.2Very low137 Ų137131.9 Ų131.984%0.8472%0.719SS**  66.1122.260.974.70000115.6
882G31.5Very low32.6Very low68 Ų68131.6 Ų131.670%0.70173%0.725SS**  trans178.4100169.700000114.3
883T32.6Very low32.9Very low139 Ų139129.8 Ų129.885%0.85373%0.727SS**  trans14.1142.8141.253.20000119.9
884S33.6Very low33.1Very low100 Ų100124 Ų12470%0.69972%0.722SS**  cis-177.5-173.32.755.30000108.3
885K38.1Very low33.3Very low165 Ų165127.4 Ų127.472%0.71773%0.734SS**  cis-171.8145.918.2-139.7178.5-177.8-160.10109.1
886Q35.1Very low33.5Very low139 Ų139125.5 Ų125.565%0.6573%0.727SS**  trans56.4150.2145.3-70.7177.4-83.700120.7
887D36.1Very low33.6Very low114 Ų114127 Ų12761%0.6173%0.725SS**  cis-162.3173.4-4.8-118.2-16.9000114.9
888N37Very low33.6Very low128 Ų128127.7 Ų127.768%0.68473%0.73SS**  trans76.2114.8163.9-60-41.8000117.9
889T34.6Very low33.5Very low99 Ų99127.4 Ų127.461%0.60772%0.723SS**  cis80.912742.6-490000110.7
890Y33.9Very low33.6Very low214 Ų214128.2 Ų128.284%0.83973%0.728SS**  cis-144.7154.344.6-70-99.2000115.5
891P37.7Very low33.7Very low110 Ų110127.7 Ų127.771%0.71473%0.727SS**  trans-134.1153.3153.638.7-25.5000115.2
892L35.1Very low33.8Very low165 Ų165130.2 Ų130.286%0.86473%0.729SS**  trans-141.8120.6163-69.7169.5000106.9
893T33.2Very low33.8Very low124 Ų124132.4 Ų132.476%0.76173%0.729SS**  cis70.8116.44873.20000114.6
894G34.2Very low33.7Very low69 Ų69133.4 Ų133.471%0.71173%0.728SS**  trans166.164171.600000119.1
895N33.5Very low33.8Very low150 Ų150134.2 Ų134.280%0.80273%0.731SS**  trans59.4167.3144.2-67.1-2.1000121.4
896Q32.4Very low33.4Very low145 Ų145130.5 Ų130.568%0.67873%0.731SS**  -166.1146.4-52-132.3-176.615.500109.1
897H33.7Very low33Very low155 Ų155132.8 Ų132.872%0.71874%0.739SS**  trans62.4156.6165.5-66.6-65.8000117.5
898S31.6Very low32.7Very low103 Ų103130.1 Ų130.172%0.7273%0.727SS**  cis-155163.4-834.60000112.4
899F30.5Very low32.3Very low135 Ų135129.5 Ų129.559%0.59273%0.731SS**  trans-36.3153.9165.2-57.7-94.2000114.9L558L558-F899 HydrophobicContact CD1-CE1 4.22Å; L558-F899 HydrophobicContact CD1-CE2 4.34Å; L558-F899 HydrophobicContact CD1-CZ 4.09Å
900S29.8Very low32.1Very low116 Ų116129.8 Ų129.881%0.81174%0.738SS**  -159.617150.7-117.80000115.5
901P34.6Very low32.1Very low107 Ų107123.7 Ų123.770%0.69573%0.726SS**  trans-116.2160.9-171.241.4-31.8000116.2
902Q31.4Very low31.7Very low189 Ų189128.4 Ų128.488%0.88373%0.731SS**  trans175158.3146.7-99.9169.245.400108.8
903V30.7Very low31.6Very low115 Ų115125 Ų12570%0.69772%0.721SS**  cis-179.1117.4-31.31360000104.9
904L30.6Very low31.8Very low160 Ų160124.3 Ų124.384%0.83872%0.717SS**  trans59.8162.4159.5-64175.4000120.5
905P35.9Very low31.9Very low117 Ų117129.1 Ų129.176%0.7673%0.726SS**  cis-129.7-169.1-22.833.8-14.2000113.9
906A29.1Very low32Very low86 Ų86129 Ų12971%0.71172%0.721SS**  trans87.5118.2153.800000122
907F27.5Very low32.2Very low187 Ų187132.8 Ų132.882%0.8273%0.73SS**  trans53.8124144.8-74.2-86.9000124.1
908T29.4Very low32.4Very low58 Ų58128.8 Ų128.836%0.35673%0.731SS.*  trans84.395.7143.361.70000123.3R948T908-R948 HydrophobicContact CG2-CB 4.49Å; T908-R948 HydrophobicContact CG2-CG 4.24Å; T908-R948 WeakPolarHBondContact CG2-OXT 3.43Å
909C29.2Very low32.6Very low116 Ų116129.8 Ų129.878%0.78473%0.733SS**  71.6147.5113.6-157.90000122.1
910S30.7Very low32.8Very low105 Ų105130.1 Ų130.173%0.73474%0.741SS**  trans76.4145.6167.3-62.70000116.4
911S32.2Very low33Very low86 Ų86129.9 Ų129.960%0.60174%0.735SS**  cis-171178.5-4.839.40000110.9
912Y31.1Very low33.1Very low209 Ų209134.7 Ų134.782%0.8275%0.745SS**  trans70.9155.8172.8-60.3-76000115.1
913S33.1Very low33.2Very low94 Ų94130.5 Ų130.566%0.65774%0.737SS**  cis-161.7172.4-0.6-124.60000109.4
914T36.1Very low33.4Very low109 Ų109132.6 Ų132.667%0.66974%0.744SS**  cis-175149-37.527.90000106.7
915N37Very low33.7Very low170 Ų170132.5 Ų132.591%0.90974%0.739SS**  trans-164.3164.7148.2-102.9-17.3000113.9
916Q35.1Very low33.6Very low147 Ų147133.1 Ų133.169%0.68774%0.736SS**  trans-120.2162.9-160.5-58.4170.5-11.200113.4
917Y36.6Very low33.9Very low224 Ų224135.6 Ų135.688%0.87874%0.737SS**  160.3151.5114.8-94.7-74.7000113
918G38.8Very low34.1Very low71 Ų71135.2 Ų135.273%0.73274%0.738SS**  trans119.7124.6166.400000115.6
919T35.5Very low34.1Very low125 Ų125141 Ų14177%0.76776%0.758SS**  trans-138.3139.4-175.550.70000112.3
920N35.2Very low34.5Very low141 Ų141141.7 Ų141.775%0.75476%0.761SS**  172.9140.1110.2-98.8-58000117.7
921T34.4Very low34.6Very low111 Ų111142.3 Ų142.368%0.68176%0.755SS**  trans-19.3140.8158.157.40000121.2
922K35.5Very low34.7Very low209 Ų209145.2 Ų145.291%0.90976%0.764SS**  -171.4174.699.7-101.1178.2-179.5178.80112.8
923S33Very low34.7Very low101 Ų101145.3 Ų145.371%0.70676%0.763SS**  trans-137161.3-16052.70000113.9
924N36Very low34.9Very low158 Ų158148.3 Ų148.385%0.84577%0.771SS**  trans-159.8161.5134.8-124.2-20.4000114.9
925H35.8Very low34.8Very low159 Ų159152.5 Ų152.574%0.73677%0.774SS**  trans-88.3178.4177.6-69.7-111.8000110.8
926N34.9Very low34.7Very low130 Ų130151.6 Ų151.670%0.69577%0.769SS**  cis-174.9174.644-136.9-7.1000114.7
927N34.3Very low34.8Very low137 Ų137149.1 Ų149.173%0.73377%0.768SS**  trans74.5157.5160.1-59.4-1.7000120.3
928Q31.4Very low34.5Very low179 Ų179145.9 Ų145.984%0.83677%0.766SS**  -164153.9-84.4177.3161.9-8.600112.7
929F31.1Very low34.4Very low179 Ų179152 Ų15279%0.78577%0.773SS**  trans-63.9159.8-172.4-84.4-83000116.8I931F929-I931 HydrophobicContact CD1-CG1 4.36Å
930P36.7Very low34Very low131 Ų131153.9 Ų153.985%0.85177%0.771SS**  -143.3142.993.434.5-16.2000119.1
931I33Very low33.8Very low118 Ų118159.1 Ų159.161%0.60578%0.78SS**  trans-58.2144.4175.3-65149.8000116.9F929 R933F929-I931 HydrophobicContact CD1-CG1 4.36Å; I931-R933 HydrophobicContact CG2-CG 4.16Å
932N35Very low33.5Very low147 Ų147160.9 Ų160.979%0.78678%0.784SS**  -176.2122.4125.5-92.3-43.2000109.9
933R31.2Very low33.3Very low212 Ų212154.1 Ų154.180%0.877%0.774SS**  cis96.6117.548.8-96.6-169.8169.2179.91.9113.4I931I931-R933 HydrophobicContact CG2-CG 4.16Å
934L36.8Very low33.3Very low156 Ų156154.9 Ų154.982%0.81778%0.779SS**  trans154.7138.3137.4-82.8169.3000109.6
935R34.6Very low33.1Very low198 Ų198155.3 Ų155.375%0.74778%0.781SS**  cis-166.8124.9-26.1-142.3-169.7-163.9171.74.5111.2
936N34.7Very low33Very low151 Ų151153.1 Ų153.181%0.80778%0.781SS**  trans55.7159.1144.3-64.821.4000120.3
937S36.3Very low32.7Very low95 Ų95158.9 Ų158.966%0.66479%0.793SS**  cis-142.7118.98.553.80000114.1
938D31.1Very low32.5Very low156 Ų156164.6 Ų164.683%0.83480%0.804SS**  trans-79.4151.7141.3-71.9-58.7000109.7
939K35.1Very low32.6Very low199 Ų199163.9 Ų163.987%0.86580%0.803SS**  trans-127.1102.2167.5-92.4-170173.4-1780111.1
940F28.7Very low32.6Very low165 Ų165163.1 Ų163.172%0.72480%0.803SS**  trans-55.8147.4163.6-82.5-109.1000111.7L942F940-L942 HydrophobicContact CD1-CD1 3.91Å; F940-L942 HydrophobicContact CD1-CG 4.13Å; F940-L942 HydrophobicContact CE1-CD1 4.23Å
941W30.8Very low32.4Very low250 Ų250164.9 Ų164.995%0.94780%0.801SS**  trans-123.9101.2141.7-101.599.9000109.1
942L27.4Very low32.4Very low148 Ų148167.6 Ų167.678%0.77581%0.812SS**  trans-82.5109.6165.7-97.9158.1000107.8F940F940-L942 HydrophobicContact CD1-CD1 3.91Å; F940-L942 HydrophobicContact CD1-CG 4.13Å; F940-L942 HydrophobicContact CE1-CD1 4.23Å
943G31.6Very low32.2Very low68 Ų68168.9 Ų168.970%0.70181%0.814SS**  trans-117.397.2-179.400000111.5
944S33.2Very low32.3Very low116 Ų116166.1 Ų166.181%0.81182%0.815SS**  trans-22.7119.7-178.9-54.40000118.3P946S944-P946 WeakPolarHBondContact O-CD 3.22Å
945L30.6Very low32Very low168 Ų168166.8 Ų166.888%0.8882%0.815SS**  trans-68.4122.4155.3-82.6159.3000110.3
946P34.1Very low31.7Very low113 Ų113164.4 Ų164.473%0.73482%0.82SS**  trans-76.5136.5156.831.5-29.4000109.4S944 R948S944-P946 WeakPolarHBondContact O-CD 3.22Å; P946-R948 PolarHBondContact O-N 2.84Å
947R29.5Very low31.5Very low251 Ų251165.5 Ų165.595%0.94782%0.821SS**  trans-8495.1175.8-79.2-171.8173.7-159.30.7111.8
948R29.6Very low31.1Very low257 Ų257171.9 Ų171.997%0.9784%0.835SS**  trans-159.60134-117.6-179.7177.7-179.1-2.4110.5T908 P946T908-R948 HydrophobicContact CG2-CB 4.49Å; T908-R948 HydrophobicContact CG2-CG 4.24Å; T908-R948 WeakPolarHBondContact CG2-OXT 3.43Å; P946-R948 PolarHBondContact O-N 2.84Å

Retrieved 948 of 948 residues in 208.9 ms (Link to these results)

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