A0A096NYC7_PAPAN Loading...

Tumor protein p53 inducible protein 3

AlphaFold DB , UniProt , Accession A0A096NYC7, Species PAPAN (Papio anubis, Olive baboon), Gene TP53I3, Length 332 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
1M97.8Very high98.2Very high40 Ų4050.3 Ų50.320%0.19728%0.276CS..  0150.5070.8173.8-175.500108.6E19 V20 K22 P23 I60 A96 Q97 Y98M1-E19 WeakPolarHBondContact O-CA 3.48Å; M1-V20 HydrophobicContact CE-CG2 3.72Å; M1-V20 HydrophobicContact CG-CG2 3.74Å; M1-V20 PolarHBondContact N-O 3.37Å; M1-V20 PolarHBondContact O-N 3.1Å; M1-K22 HydrophobicContact CB-CB 4.26Å; M1-K22 HydrophobicContact CG-CB 4.35Å; M1-K22 HydrophobicContact SD-CB 4.43Å; M1-K22 HydrophobicContact SD-CG 4.39Å; M1-P23 HydrophobicContact CE-CG 4.33Å; M1-P23 VanDerWaalsContact SD-CD 3.54Å; M1-I60 HydrophobicContact CE-CD1 4.37Å; M1-A96 HydrophobicContact CE-CB 3.67Å; M1-A96 HydrophobicContact SD-CB 4.26Å; M1-Q97 HydrophobicContact CB-CB 4.34Å; M1-Y98 HydrophobicContact CB-CD2 4.18Å; M1-Y98 WeakPolarHBondContact CE-O 3.38Å; M1-Y98 HydrophobicContact SD-CD2 4.29Å; M1-Y98 VanDerWaalsContact SD-O 3.32Å
2L98.6Very high98.2Very high58 Ų5847 Ų4730%0.30426%0.259SS..EExtended strand (participates in β ladder)trans-76136.6171.7-63173.6000110.3V17 K18 E19 Q97 P331L2-V17 HydrophobicContact CB-CG1 3.84Å; L2-V17 HydrophobicContact CD2-CG1 4.05Å; L2-V17 HydrophobicContact CG-CG1 4.38Å; L2-K18 WeakPolarHBondContact CA-O 3.46Å; L2-E19 HydrophobicContact CD2-CG 3.83Å; L2-Q97 HydrophobicContact CB-CG 4.06Å; L2-Q97 PolarHBondContact O-N 2.96Å; L2-P331 HydrophobicContact CD1-CG 3.86Å
3A98.8Very high98.2Very high1 Ų152.2 Ų52.21%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-146.3150.7176.300000111.2V17 K18 V20 I60 A96A3-V17 CarbonylContact O-C 3.54Å; A3-V17 WeakPolarHBondContact O-CA 3.35Å; A3-K18 PolarHBondContact N-O 3.22Å; A3-K18 PolarHBondContact O-N 2.97Å; A3-V20 HydrophobicContact CB-CG1 4.3Å; A3-V20 HydrophobicContact CB-CG2 3.48Å; A3-V20 VanDerWaalsContact CB-CG2 3.48Å; A3-I60 HydrophobicContact CB-CD1 4.09Å; A3-I60 HydrophobicContact CB-CG2 4.3Å; A3-A96 HydrophobicContact CB-CB 3.49Å; A3-A96 VanDerWaalsContact CB-CB 3.49Å
4V98.7Very high98.2Very high0 Ų052 Ų520%028%0.279CS..EExtended strand (participates in β ladder)trans-64.9134.6166.3172.90000109.4L15 L61 Q95 V307 I310V4-L15 HydrophobicContact CG1-CD2 4Å; V4-L61 HydrophobicContact CG1-CD1 4.02Å; V4-Q95 HydrophobicContact CB-CB 3.98Å; V4-Q95 HydrophobicContact CG2-CB 3.82Å; V4-Q95 PolarHBondContact N-O 2.86Å; V4-V307 HydrophobicContact CG2-CG2 3.43Å; V4-V307 VanDerWaalsContact CG2-CG2 3.43Å; V4-I310 HydrophobicContact CG1-CD1 4.41Å; V4-I310 HydrophobicContact CG1-CG1 3.78Å; V4-I310 HydrophobicContact CG2-CB 4.2Å; V4-I310 HydrophobicContact CG2-CD1 4.19Å; V4-I310 HydrophobicContact CG2-CG1 3.91Å; V4-I310 HydrophobicContact CG2-CG2 4.41Å
5H98.6Very high98.2Very high37 Ų3749.1 Ų49.117%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-145.6158.7-177.5-162.669.8000112D7 L15 Y16 K18H5-D7 IonicContact CD2-OD1 2.75Å; H5-D7 IonicContact NE2-OD1 3.52Å; H5-D7 PolarHBondContact NE2-OD1 2.98Å; H5-L15 WeakPolarHBondContact O-CA 3.39Å; H5-Y16 AromaticContact CD2-CZ 3.89Å; H5-Y16 PolarHBondContact N-O 3.47Å; H5-Y16 PolarHBondContact O-N 3.28Å; H5-K18 HydrophobicContact CB-CB 3.8Å; H5-K18 HydrophobicContact CB-CD 4.1Å; H5-K18 WeakPolarHBondContact CD2-CD 3.43Å; H5-K18 PolarHBondContact CD2-NZ 3.38Å; H5-K18 PolarHBondContact NE2-NZ 2.87Å; H5-K18 VanDerWaalsContact NE2-NZ 3.17Å
6F98.3Very high98.3Very high32 Ų3251.3 Ų51.314%0.1427%0.268CS..  trans-147.9132.8168.458-84.9000108N14 L15 Q46 R47 L61F6-N14 WeakPolarHBondContact CA-O 3.29Å; F6-N14 HydrophobicContact CB-CB 4.22Å; F6-N14 WeakPolarHBondContact CB-O 3.46Å; F6-L15 HydrophobicContact CB-CD2 4.37Å; F6-L15 HydrophobicContact CD1-CD2 4.12Å; F6-Q46 HydrophobicContact CZ-CG 4.45Å; F6-R47 HydrophobicContact CE1-CB 4.4Å; F6-R47 HydrophobicContact CZ-CB 4.5Å; F6-L61 HydrophobicContact CD1-CD1 4.37Å; F6-L61 HydrophobicContact CD1-CG 4.47Å; F6-L61 HydrophobicContact CE1-CD1 4.23Å; F6-L61 HydrophobicContact CE1-CD2 3.88Å; F6-L61 HydrophobicContact CE1-CG 3.95Å
7D97.3Very high98.3Very high102 Ų10250.7 Ų50.755%0.54527%0.267SS..SBendtrans-80.4-28-175.5-64.6-54000112.7H5 Y16 K18H5-D7 IonicContact CD2-OD1 2.75Å; H5-D7 IonicContact NE2-OD1 3.52Å; H5-D7 PolarHBondContact NE2-OD1 2.98Å; D7-Y16 PolarHBondContact OD1-OH 2.76Å; D7-Y16 WeakPolarHBondContact OD2-CE1 3.45Å; D7-Y16 PolarHBondContact OD2-OH 2.64Å; D7-K18 IonicContact OD1-NZ 2.74Å; D7-K18 PolarHBondContact OD1-NZ 2.77Å
8K97.1Very high98.3Very high156 Ų15651.8 Ų51.868%0.67827%0.269SS*.SBendtrans-138.1144.9179.5-66.6-177.2-177.61770110.5N14K8-N14 PolarHBondContact O-ND2 3.06Å
9P98.4Very high98.3Very high82 Ų8257.6 Ų57.653%0.53230%0.295SS..SBendtrans-56.9144.1169.4-22.833.3000111.5R47P9-R47 CarbonylContact C-O 3.55Å; P9-R47 WeakPolarHBondContact CA-O 3.29Å; P9-R47 WeakPolarHBondContact CB-O 3.22Å
10G98.2Very high98.3Very high27 Ų2756.4 Ų56.428%0.27829%0.29SS..SBendtrans160.5-159.4-176.800000112N14 R47G10-N14 WeakPolarHBondContact CA-ND2 3.26Å; G10-R47 PolarHBondContact N-O 3.4Å; G10-R47 VanDerWaalsContact N-O 3.09Å; G10-R47 PolarHBondContact O-NH1 3.37Å
11G98.1Very high98.3Very high18 Ų1858.1 Ų58.119%0.18631%0.313CS..SBendtrans-68.6171.4-177.800000114.3E13 N14G11-E13 VanDerWaalsContact CA-CD 3.5Å; G11-E13 WeakPolarHBondContact CA-OE1 3.29Å; G11-E13 VanDerWaalsContact CA-OE2 3.26Å; G11-E13 WeakPolarHBondContact CA-OE2 3.31Å; G11-E13 PolarHBondContact N-OE1 3.12Å; G11-E13 PolarHBondContact O-N 2.82Å; G11-E13 VanDerWaalsContact O-N 3.14Å; G11-N14 WeakPolarHBondContact O-CB 3.42Å; G11-N14 PolarHBondContact O-N 3.38Å; G11-N14 VanDerWaalsContact O-N 3.07Å
12P98.3Very high98.3Very high11 Ų1160.9 Ų60.97%0.07132%0.324CS..G310 helixtrans-60.8-21-179.425.5-34.7000113N14 L15 R47 Q311 H314 K315P12-N14 PolarHBondContact O-N 3.17Å; P12-L15 HydrophobicContact CB-CD1 4.35Å; P12-L15 WeakPolarHBondContact O-CB 3.41Å; P12-L15 PolarHBondContact O-N 3.48Å; P12-L15 VanDerWaalsContact O-N 3.09Å; P12-R47 VanDerWaalsContact N-NH1 3.17Å; P12-Q311 WeakPolarHBondContact O-CG 3.4Å; P12-H314 HydrophobicContact CB-CB 3.85Å; P12-K315 HydrophobicContact CB-CG 4.14Å; P12-K315 HydrophobicContact CG-CG 3.75Å
13E98.3Very high98.3Very high115 Ų11560 Ų6054%0.53732%0.321SS..G310 helixtrans-60.7-16.3171.671.2-71.8167.500115.9G11 L15G11-E13 VanDerWaalsContact CA-CD 3.5Å; G11-E13 WeakPolarHBondContact CA-OE1 3.29Å; G11-E13 VanDerWaalsContact CA-OE2 3.26Å; G11-E13 WeakPolarHBondContact CA-OE2 3.31Å; G11-E13 PolarHBondContact N-OE1 3.12Å; G11-E13 PolarHBondContact O-N 2.82Å; G11-E13 VanDerWaalsContact O-N 3.14Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 3.05Å
14N98.3Very high98.3Very high49 Ų4964.5 Ų64.526%0.26235%0.353SS..G310 helixtrans-79.8-9174.2-680.5000113F6 K8 G10 G11 P12 Y16F6-N14 WeakPolarHBondContact CA-O 3.29Å; F6-N14 HydrophobicContact CB-CB 4.22Å; F6-N14 WeakPolarHBondContact CB-O 3.46Å; K8-N14 PolarHBondContact O-ND2 3.06Å; G10-N14 WeakPolarHBondContact CA-ND2 3.26Å; G11-N14 WeakPolarHBondContact O-CB 3.42Å; G11-N14 PolarHBondContact O-N 3.38Å; G11-N14 VanDerWaalsContact O-N 3.07Å; P12-N14 PolarHBondContact O-N 3.17Å; N14-Y16 WeakPolarHBondContact O-CD1 3.36Å
15L98.8Very high98.2Very high9 Ų965.1 Ų65.15%0.04736%0.357CS..  trans-83.2131.1-176.9-65.8162.8000111.6V4 H5 F6 P12 E13 R47 L61 I310 H314V4-L15 HydrophobicContact CG1-CD2 4Å; H5-L15 WeakPolarHBondContact O-CA 3.39Å; F6-L15 HydrophobicContact CB-CD2 4.37Å; F6-L15 HydrophobicContact CD1-CD2 4.12Å; P12-L15 HydrophobicContact CB-CD1 4.35Å; P12-L15 WeakPolarHBondContact O-CB 3.41Å; P12-L15 PolarHBondContact O-N 3.48Å; P12-L15 VanDerWaalsContact O-N 3.09Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 3.05Å; L15-R47 HydrophobicContact CD2-CG 4.42Å; L15-L61 HydrophobicContact CD2-CD1 3.76Å; L15-I310 HydrophobicContact CB-CG1 4.49Å; L15-I310 HydrophobicContact CB-CG2 4.07Å; L15-I310 HydrophobicContact CD1-CG1 4.23Å; L15-H314 HydrophobicContact CD1-CB 3.86Å; L15-H314 VanDerWaalsContact CD1-CD2 3.42Å; L15-H314 WeakPolarHBondContact CD1-CD2 3.48Å; L15-H314 WeakPolarHBondContact CD1-ND1 3.47Å
16Y98.7Very high98.2Very high83 Ų8364.8 Ų64.833%0.32536%0.363SS..EExtended strand (participates in β ladder)trans-150.4168.217264.2-84.8000110.8H5 D7 N14 K18H5-Y16 AromaticContact CD2-CZ 3.89Å; H5-Y16 PolarHBondContact N-O 3.47Å; H5-Y16 PolarHBondContact O-N 3.28Å; D7-Y16 PolarHBondContact OD1-OH 2.76Å; D7-Y16 WeakPolarHBondContact OD2-CE1 3.45Å; D7-Y16 PolarHBondContact OD2-OH 2.64Å; N14-Y16 WeakPolarHBondContact O-CD1 3.36Å; Y16-K18 HydrophobicContact CD2-CB 4.12Å; Y16-K18 HydrophobicContact CE2-CB 3.67Å; Y16-K18 HydrophobicContact CE2-CD 3.88Å; Y16-K18 HydrophobicContact CE2-CG 3.93Å; Y16-K18 PolarHBondContact OH-NZ 2.95Å
17V98.7Very high98.1Very high42 Ų4271.4 Ų71.426%0.25539%0.394SS..EExtended strand (participates in β ladder)trans-93.7127.8173.6-177.10000109L2 A3 V307L2-V17 HydrophobicContact CB-CG1 3.84Å; L2-V17 HydrophobicContact CD2-CG1 4.05Å; L2-V17 HydrophobicContact CG-CG1 4.38Å; A3-V17 CarbonylContact O-C 3.54Å; A3-V17 WeakPolarHBondContact O-CA 3.35Å; V17-V307 HydrophobicContact CG2-CG1 4.25Å; V17-V307 HydrophobicContact CG2-CG2 4.23Å; V17-V307 WeakPolarHBondContact CG2-O 3.33Å
18K98.4Very high98.1Very high71 Ų7167.6 Ų67.631%0.30938%0.379SS..EExtended strand (participates in β ladder)trans-124.9148.6-175.9-169.4176.4-175.2164.80110.7L2 A3 H5 D7 Y16 V20L2-K18 WeakPolarHBondContact CA-O 3.46Å; A3-K18 PolarHBondContact N-O 3.22Å; A3-K18 PolarHBondContact O-N 2.97Å; H5-K18 HydrophobicContact CB-CB 3.8Å; H5-K18 HydrophobicContact CB-CD 4.1Å; H5-K18 WeakPolarHBondContact CD2-CD 3.43Å; H5-K18 PolarHBondContact CD2-NZ 3.38Å; H5-K18 PolarHBondContact NE2-NZ 2.87Å; H5-K18 VanDerWaalsContact NE2-NZ 3.17Å; D7-K18 IonicContact OD1-NZ 2.74Å; D7-K18 PolarHBondContact OD1-NZ 2.77Å; Y16-K18 HydrophobicContact CD2-CB 4.12Å; Y16-K18 HydrophobicContact CE2-CB 3.67Å; Y16-K18 HydrophobicContact CE2-CD 3.88Å; Y16-K18 HydrophobicContact CE2-CG 3.93Å; Y16-K18 PolarHBondContact OH-NZ 2.95Å; K18-V20 HydrophobicContact CB-CG1 4.39Å; K18-V20 HydrophobicContact CD-CG1 4.45Å; K18-V20 HydrophobicContact CG-CG1 4.37Å; K18-V20 PolarHBondContact O-N 3.46Å
19E98.5Very high98.2Very high162 Ų16262.7 Ų62.776%0.75736%0.359SS*.EExtended strand (participates in β ladder)trans-74.9121.1163-71.7-170.3-176.400110.5M1 L2M1-E19 WeakPolarHBondContact O-CA 3.48Å; L2-E19 HydrophobicContact CD2-CG 3.83Å
20V98.3Very high98.2Very high32 Ų3258.8 Ų58.819%0.19433%0.333CS..  trans-124.5164.8177.1-58.80000110.7M1 A3 K18 K22 I60M1-V20 HydrophobicContact CE-CG2 3.72Å; M1-V20 HydrophobicContact CG-CG2 3.74Å; M1-V20 PolarHBondContact N-O 3.37Å; M1-V20 PolarHBondContact O-N 3.1Å; A3-V20 HydrophobicContact CB-CG1 4.3Å; A3-V20 HydrophobicContact CB-CG2 3.48Å; A3-V20 VanDerWaalsContact CB-CG2 3.48Å; K18-V20 HydrophobicContact CB-CG1 4.39Å; K18-V20 HydrophobicContact CD-CG1 4.45Å; K18-V20 HydrophobicContact CG-CG1 4.37Å; K18-V20 PolarHBondContact O-N 3.46Å; V20-K22 PolarHBondContact O-N 3.34Å; V20-I60 HydrophobicContact CG2-CD1 4.16Å
21A98.3Very high98.2Very high93 Ų9357.5 Ų57.577%0.76932%0.32SS*.PPolyproline II helixtrans-58.6132.3173.300000110.4
22K98.5Very high98.2Very high99 Ų9956.6 Ų56.643%0.4331%0.311SS..PPolyproline II helixtrans-73.3129.7172.9-178.1-175.2169.8-171.20108.2M1 V20 Y98M1-K22 HydrophobicContact CB-CB 4.26Å; M1-K22 HydrophobicContact CG-CB 4.35Å; M1-K22 HydrophobicContact SD-CB 4.43Å; M1-K22 HydrophobicContact SD-CG 4.39Å; V20-K22 PolarHBondContact O-N 3.34Å; K22-Y98 HydrophobicContact CD-CD2 4.11Å; K22-Y98 HydrophobicContact CD-CE2 4.4Å; K22-Y98 HydrophobicContact CD-CG 4.29Å; K22-Y98 HydrophobicContact CG-CD2 4.19Å; K22-Y98 HydrophobicContact CG-CG 4.26Å
23P98.3Very high98.3Very high39 Ų3958.9 Ų58.925%0.25332%0.32SS..PPolyproline II helixtrans-73.9163.2179.133.3-35.9000110.8M1 L31 T100M1-P23 HydrophobicContact CE-CG 4.33Å; M1-P23 VanDerWaalsContact SD-CD 3.54Å; P23-L31 HydrophobicContact CG-CD1 3.92Å; P23-T100 HydrophobicContact CB-CG2 3.85Å; P23-T100 HydrophobicContact CG-CG2 4.14Å
24S98.1Very high98.3Very high95 Ų9553.4 Ų53.466%0.66430%0.295SS*.  trans-121.1137.2174.2-56.40000108.9
25P97.8Very high98.3Very high14 Ų1451.8 Ų51.89%0.09129%0.288CS..  trans-69134.7-176.828.5-32.3000111.6E29 L31 E71 T100P25-E29 HydrophobicContact CB-CB 4.18Å; P25-L31 HydrophobicContact CB-CB 4.44Å; P25-L31 HydrophobicContact CG-CB 4.14Å; P25-E71 HydrophobicContact CG-CB 4.3Å; P25-E71 HydrophobicContact CG-CG 4.14Å; P25-T100 HydrophobicContact CB-CG2 4.41Å
26G97.1Very high98.3Very high29 Ų2951.4 Ų51.430%0.29929%0.286SS..  trans-81.8-164.9172.700000113.6G28 E29G26-G28 PolarHBondContact O-N 2.76Å; G26-E29 PolarHBondContact N-OE2 3.21Å; G26-E29 PolarHBondContact O-N 3.04Å
27E97.3Very high98.3Very high171 Ų17147.4 Ų47.480%0.79927%0.27SS*.THydrogen-bonded Turntrans-64.7128.3175.3-173.2174.6-177.600111.4E29 P74E27-E29 PolarHBondContact O-N 3.22Å; E27-P74 CarbonylContact C-O 3.59Å; E27-P74 VanDerWaalsContact CA-O 3.29Å; E27-P74 WeakPolarHBondContact CA-O 3.44Å
28G97Very high98.3Very high22 Ų2245.4 Ų45.423%0.22726%0.258CS..THydrogen-bonded Turntrans70.110.8-178.400000114.6G26 P74 E103G26-G28 PolarHBondContact O-N 2.76Å; G28-P74 PolarHBondContact N-O 2.9Å; G28-E103 PolarHBondContact O-N 3.22Å
29E98Very high98.4Very high53 Ų5342.1 Ų42.125%0.24824%0.244CC..EExtended strand (participates in β ladder)trans-109.6153.5179.8-59.9-174.1153.400112P25 G26 E27 G73 C76 V101 P102P25-E29 HydrophobicContact CB-CB 4.18Å; G26-E29 PolarHBondContact N-OE2 3.21Å; G26-E29 PolarHBondContact O-N 3.04Å; E27-E29 PolarHBondContact O-N 3.22Å; E29-G73 VanDerWaalsContact O-CA 3.23Å; E29-G73 WeakPolarHBondContact O-CA 3.37Å; E29-G73 PolarHBondContact O-N 3.13Å; E29-C76 PolarHBondContact O-SG 2.78Å; E29-C76 VanDerWaalsContact O-SG 3.34Å; E29-V101 CarbonylContact C-O 3.5Å; E29-V101 VanDerWaalsContact CA-O 3.26Å; E29-V101 WeakPolarHBondContact CA-O 3.4Å; E29-P102 HydrophobicContact CG-CG 4.42Å
30V98.6Very high98.4Very high0 Ų035.1 Ų35.10%021%0.212CC..EExtended strand (participates in β ladder)trans-110.7159166.7-47.90000109.9V69 E71 L72 T100 V101 E103 L106V30-V69 HydrophobicContact CB-CG1 4.28Å; V30-E71 WeakPolarHBondContact CA-O 3.49Å; V30-L72 HydrophobicContact CB-CD2 4.38Å; V30-L72 HydrophobicContact CG1-CD2 3.65Å; V30-T100 CarbonylContact O-C 3.18Å; V30-T100 WeakPolarHBondContact O-CA 3.43Å; V30-V101 HydrophobicContact CG2-CB 4.28Å; V30-V101 PolarHBondContact N-O 2.92Å; V30-V101 PolarHBondContact O-N 3.44Å; V30-E103 HydrophobicContact CG1-CB 4.06Å; V30-L106 HydrophobicContact CB-CD1 4.36Å; V30-L106 HydrophobicContact CG1-CD1 3.88Å; V30-L106 HydrophobicContact CG2-CD1 3.54Å; V30-L106 HydrophobicContact CG2-CD2 4.05Å; V30-L106 HydrophobicContact CG2-CG 4.21Å
31L98.8Very high98.4Very high0 Ų037.1 Ų37.10%022%0.216CC..EExtended strand (participates in β ladder)trans-96.7116.7163.6-170.769.6000108.8P23 P25 A70 E71 Y98 T100P23-L31 HydrophobicContact CG-CD1 3.92Å; P25-L31 HydrophobicContact CB-CB 4.44Å; P25-L31 HydrophobicContact CG-CB 4.14Å; L31-A70 HydrophobicContact CD2-CB 4.47Å; L31-A70 WeakPolarHBondContact O-CA 3.35Å; L31-A70 WeakPolarHBondContact O-CB 3.4Å; L31-A70 PolarHBondContact O-N 2.89Å; L31-E71 HydrophobicContact CB-CB 3.74Å; L31-E71 HydrophobicContact CD2-CB 4.22Å; L31-E71 PolarHBondContact N-O 2.82Å; L31-E71 PolarHBondContact O-N 3.47Å; L31-Y98 HydrophobicContact CD2-CD1 3.85Å; L31-Y98 HydrophobicContact CD2-CG 4.44Å; L31-Y98 HydrophobicContact CG-CD1 4.06Å; L31-T100 HydrophobicContact CD1-CG2 3.94Å
32L98.9Very high98.4Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-92.2122.9175-166.173.7000109.2V34 A65 V69 A86 Y98 V99 V101 L106L32-V34 PolarHBondContact O-N 2.79Å; L32-A65 HydrophobicContact CD2-CB 4.12Å; L32-V69 HydrophobicContact CD1-CG2 4.44Å; L32-A86 HydrophobicContact CD1-CB 4.2Å; L32-Y98 VanDerWaalsContact O-CA 3.28Å; L32-Y98 WeakPolarHBondContact O-CA 3.36Å; L32-V99 HydrophobicContact CB-CG1 4.04Å; L32-V99 HydrophobicContact CD2-CG1 4.5Å; L32-V99 PolarHBondContact N-O 3.24Å; L32-V99 PolarHBondContact O-N 3.33Å; L32-V101 HydrophobicContact CB-CG2 4.17Å; L32-L106 HydrophobicContact CD1-CD2 4.33Å
33K98.9Very high98.4Very high59 Ų5928.8 Ų28.826%0.25717%0.165SC..EExtended strand (participates in β ladder)trans-77.8105.8165.3-179.5177.2-178.6179.30107.9A35 G67 H68 A70 Y98 Q332K33-A35 PolarHBondContact O-N 3.35Å; K33-G67 CarbonylContact O-C 3.51Å; K33-G67 WeakPolarHBondContact O-CA 3.31Å; K33-H68 PolarHBondContact N-O 2.85Å; K33-H68 PolarHBondContact O-N 2.92Å; K33-A70 HydrophobicContact CB-CB 3.92Å; K33-Y98 HydrophobicContact CB-CD1 4Å; K33-Y98 HydrophobicContact CB-CE1 3.68Å; K33-Y98 HydrophobicContact CD-CE1 4.2Å; K33-Y98 HydrophobicContact CG-CD1 4.37Å; K33-Y98 HydrophobicContact CG-CE1 3.79Å; K33-Q332 WeakPolarHBondContact CE-OXT 3.16Å; K33-Q332 PolarHBondContact NZ-OXT 2.93Å
34V98.9Very high98.4Very high0 Ų027.1 Ų27.10%015%0.154CC..EExtended strand (participates in β ladder)trans-76.5123.1-170-178.60000110.1L32 A36 A65 A96 Q97 V99 L330 Q332L32-V34 PolarHBondContact O-N 2.79Å; V34-A36 WeakPolarHBondContact CG1-O 3.41Å; V34-A65 HydrophobicContact CG1-CB 3.91Å; V34-A65 HydrophobicContact CG2-CB 3.97Å; V34-A96 VanDerWaalsContact CB-O 3.3Å; V34-A96 WeakPolarHBondContact CB-O 3.45Å; V34-A96 VanDerWaalsContact CG2-O 3.28Å; V34-A96 WeakPolarHBondContact CG2-O 3.39Å; V34-Q97 PolarHBondContact N-O 2.85Å; V34-V99 HydrophobicContact CG2-CB 4.25Å; V34-V99 HydrophobicContact CG2-CG1 3.58Å; V34-L330 HydrophobicContact CB-CD2 4.06Å; V34-L330 HydrophobicContact CG1-CD1 3.74Å; V34-L330 HydrophobicContact CG1-CD2 3.94Å; V34-L330 HydrophobicContact CG1-CG 4.39Å; V34-Q332 PolarHBondContact O-NE2 3.36Å
35A98.9Very high98.4Very high15 Ų1525 Ų2512%0.12414%0.135CC..EExtended strand (participates in β ladder)trans-85.2-46.4169.600000111.5K33 S66 L115 L330K33-A35 PolarHBondContact O-N 3.35Å; A35-S66 PolarHBondContact N-O 3.2Å; A35-L115 HydrophobicContact CB-CB 3.86Å; A35-L115 HydrophobicContact CB-CD1 3.7Å; A35-L115 HydrophobicContact CB-CD2 4.15Å; A35-L115 HydrophobicContact CB-CG 4.13Å; A35-L330 PolarHBondContact O-N 3.4Å
36A98.9Very high98.4Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-145151.3178.400000111.8V34 A65 S66 P116 A119 V327 L328V34-A36 WeakPolarHBondContact CG1-O 3.41Å; A36-A65 CarbonylContact O-C 3.5Å; A36-A65 WeakPolarHBondContact O-CA 3.46Å; A36-S66 PolarHBondContact N-O 3.48Å; A36-S66 VanDerWaalsContact N-O 3.1Å; A36-S66 PolarHBondContact O-N 2.94Å; A36-P116 HydrophobicContact CB-CB 4.42Å; A36-P116 HydrophobicContact CB-CG 4.4Å; A36-A119 HydrophobicContact CB-CB 3.66Å; A36-V327 HydrophobicContact CB-CG1 3.94Å; A36-L328 CarbonylContact C-O 3.59Å; A36-L328 WeakPolarHBondContact CA-O 3.38Å
37S98.9Very high98.5Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-125.6173.2169.3177.70000108.1E64 G94 Q95 V327 L328S37-E64 PolarHBondContact OG-O 2.95Å; S37-G94 WeakPolarHBondContact CB-O 3.37Å; S37-Q95 VanDerWaalsContact OG-CG 3.24Å; S37-Q95 WeakPolarHBondContact OG-CG 3.46Å; S37-V327 WeakPolarHBondContact O-CA 3.4Å; S37-V327 WeakPolarHBondContact O-CG1 3.4Å; S37-L328 PolarHBondContact N-O 3.43Å; S37-L328 PolarHBondContact O-N 2.91Å
38A98.9Very high98.5Very high0 Ų018.9 Ų18.90%010%0.097CC..EExtended strand (participates in β ladder)trans-128.9156.6169.800000112.5E64 A119 K325 I326 V327A38-E64 HydrophobicContact CB-CG 4.08Å; A38-A119 WeakPolarHBondContact CB-O 3.43Å; A38-K325 HydrophobicContact CB-CD 4.07Å; A38-I326 WeakPolarHBondContact CA-O 3.41Å; A38-I326 WeakPolarHBondContact CB-O 3.48Å; A38-V327 HydrophobicContact CB-CG2 4.36Å
39L98.8Very high98.5Very high2 Ų219.6 Ų19.61%0.0110%0.104CC..  trans-80.3140.4171.8-76.9178.1000111.2D43 I310 A313 H314 M317 I326 L328L39-D43 WeakPolarHBondContact CA-OD2 3.42Å; L39-D43 HydrophobicContact CD2-CB 4.21Å; L39-I310 HydrophobicContact CD2-CD1 4.01Å; L39-A313 HydrophobicContact CD1-CB 3.54Å; L39-H314 WeakPolarHBondContact CD2-NE2 3.48Å; L39-M317 HydrophobicContact CB-CE 3.43Å; L39-M317 VanDerWaalsContact CB-CE 3.43Å; L39-I326 HydrophobicContact CB-CB 4.36Å; L39-I326 HydrophobicContact CD1-CB 4.44Å; L39-I326 HydrophobicContact CD1-CG2 4.14Å; L39-I326 PolarHBondContact N-O 3.4Å; L39-L328 HydrophobicContact CD2-CD1 4.04Å; L39-L328 HydrophobicContact CG-CD1 3.96Å; L39-L328 HydrophobicContact CG-CG 4.44Å
40N98.8Very high98.4Very high15 Ų1523.8 Ų23.88%0.0812%0.124CC..  trans-127.9157.4173.5-70.4-73.6000110.5A42 D43 L63 E64 E123 K325N40-A42 PolarHBondContact O-N 3.36Å; N40-A42 VanDerWaalsContact O-N 3.12Å; N40-D43 PolarHBondContact N-OD2 3.21Å; N40-D43 WeakPolarHBondContact O-CB 3.19Å; N40-D43 PolarHBondContact O-N 2.87Å; N40-L63 HydrophobicContact CB-CD1 4.41Å; N40-E64 PolarHBondContact ND2-OE1 3.45Å; N40-E123 WeakPolarHBondContact OD1-CG 3.29Å; N40-K325 PolarHBondContact OD1-NZ 2.83Å
41R98.3Very high98.2Very high73 Ų7326.8 Ų26.828%0.27514%0.136SC..Hα-helixtrans-58-30.9177.2-170.961.964175.14.5111.7D43 L44 I45 M241 M317 N320R41-D43 PolarHBondContact O-N 3.44Å; R41-L44 PolarHBondContact O-N 3.17Å; R41-I45 HydrophobicContact CG-CD1 4.09Å; R41-I45 WeakPolarHBondContact O-CG1 3.28Å; R41-I45 PolarHBondContact O-N 3.03Å; R41-M241 HydrophobicContact CG-SD 4.46Å; R41-M317 PolarHBondContact NH1-O 2.72Å; R41-N320 PolarHBondContact NH2-OD1 2.75Å
42A98.1Very high98.1Very high17 Ų1733.1 Ų33.114%0.1417%0.17CC..Hα-helixtrans-58.5-32.1174.300000113.4N40 L44 I45 Q46 L63N40-A42 PolarHBondContact O-N 3.36Å; N40-A42 VanDerWaalsContact O-N 3.12Å; A42-L44 VanDerWaalsContact C-N 3.34Å; A42-L44 PolarHBondContact O-N 2.92Å; A42-I45 PolarHBondContact O-N 2.92Å; A42-Q46 WeakPolarHBondContact O-CB 3.32Å; A42-Q46 PolarHBondContact O-N 3.04Å; A42-L63 HydrophobicContact CB-CD1 3.56Å
43D98.7Very high97.9Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-67.5-36.9179.8-60-47.1000111.5L39 N40 R41 R47 L61 G62 Q95L39-D43 WeakPolarHBondContact CA-OD2 3.42Å; L39-D43 HydrophobicContact CD2-CB 4.21Å; N40-D43 PolarHBondContact N-OD2 3.21Å; N40-D43 WeakPolarHBondContact O-CB 3.19Å; N40-D43 PolarHBondContact O-N 2.87Å; R41-D43 PolarHBondContact O-N 3.44Å; D43-R47 WeakPolarHBondContact O-CB 3.5Å; D43-R47 PolarHBondContact O-N 3.23Å; D43-L61 HydrophobicContact CB-CD1 4.38Å; D43-L61 HydrophobicContact CB-CD2 4.27Å; D43-G62 PolarHBondContact OD1-N 2.86Å; D43-G62 VanDerWaalsContact OD1-N 3.08Å; D43-Q95 PolarHBondContact OD2-NE2 3.23Å
44L98.6Very high97.8Very high4 Ų433.1 Ų33.12%0.02118%0.176CC..Hα-helixtrans-65.5-49.5175.5-80.157.1000110.1R41 A42 Q46 R47 E48 M317 E318R41-L44 PolarHBondContact O-N 3.17Å; A42-L44 VanDerWaalsContact C-N 3.34Å; A42-L44 PolarHBondContact O-N 2.92Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-Q46 PolarHBondContact O-N 3.34Å; L44-R47 PolarHBondContact O-N 3.41Å; L44-R47 PolarHBondContact O-NH2 2.88Å; L44-E48 WeakPolarHBondContact O-CG 3.21Å; L44-E48 PolarHBondContact O-N 3.16Å; L44-M317 HydrophobicContact CD1-CB 4.44Å; L44-M317 HydrophobicContact CD1-CG 4.33Å; L44-M317 HydrophobicContact CD1-SD 3.65Å; L44-M317 HydrophobicContact CD2-CB 4.25Å; L44-M317 HydrophobicContact CD2-CG 3.92Å; L44-M317 HydrophobicContact CD2-SD 4.04Å; L44-E318 HydrophobicContact CD2-CB 4.49Å; L44-E318 HydrophobicContact CD2-CG 3.52Å; L44-E318 HydrophobicContact CG-CG 4.1Å
45I97.6Very high97.6Very high50 Ų5039.7 Ų39.726%0.25622%0.219SC..Hα-helixtrans-67.4-36.3-177.5-53.4168.5000110.8R41 A42 E48 G49 Q50 Y51R41-I45 HydrophobicContact CG-CD1 4.09Å; R41-I45 WeakPolarHBondContact O-CG1 3.28Å; R41-I45 PolarHBondContact O-N 3.03Å; A42-I45 PolarHBondContact O-N 2.92Å; I45-E48 PolarHBondContact O-N 3.37Å; I45-G49 PolarHBondContact O-N 3.12Å; I45-Q50 HydrophobicContact CG2-CB 3.46Å; I45-Q50 VanDerWaalsContact CG2-CB 3.46Å; I45-Q50 PolarHBondContact O-N 2.97Å; I45-Y51 HydrophobicContact CG2-CD2 4.29Å; I45-Y51 HydrophobicContact CG2-CG 4.49Å; I45-Y51 PolarHBondContact O-N 2.86Å
46Q98.4Very high97.3Very high9 Ų943.3 Ų43.34%0.04226%0.257CS..Hα-helixtrans-65.8-47.1174.7178172.9-17.200111.6F6 A42 L44 E48 G49 Y51 N59 L61 R267F6-Q46 HydrophobicContact CZ-CG 4.45Å; A42-Q46 WeakPolarHBondContact O-CB 3.32Å; A42-Q46 PolarHBondContact O-N 3.04Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-Q46 PolarHBondContact O-N 3.34Å; Q46-E48 PolarHBondContact O-N 3.33Å; Q46-G49 PolarHBondContact O-N 2.74Å; Q46-Y51 WeakPolarHBondContact CA-O 3.4Å; Q46-Y51 WeakPolarHBondContact CB-O 3.36Å; Q46-Y51 WeakPolarHBondContact CG-O 3.03Å; Q46-N59 PolarHBondContact NE2-O 3.44Å; Q46-L61 HydrophobicContact CB-CD2 4.01Å; Q46-L61 HydrophobicContact CG-CD2 3.83Å; Q46-R267 VanDerWaalsContact OE1-CZ 3.24Å
47R98.4Very high97.1Very high3 Ų344.6 Ų44.61%0.01127%0.268CS..Hα-helixtrans-59.4-34.4174.1171-163.849.9875.4111.7F6 P9 G10 P12 L15 D43 L44 G49 E318F6-R47 HydrophobicContact CE1-CB 4.4Å; F6-R47 HydrophobicContact CZ-CB 4.5Å; P9-R47 CarbonylContact C-O 3.55Å; P9-R47 WeakPolarHBondContact CA-O 3.29Å; P9-R47 WeakPolarHBondContact CB-O 3.22Å; G10-R47 PolarHBondContact N-O 3.4Å; G10-R47 VanDerWaalsContact N-O 3.09Å; G10-R47 PolarHBondContact O-NH1 3.37Å; P12-R47 VanDerWaalsContact N-NH1 3.17Å; L15-R47 HydrophobicContact CD2-CG 4.42Å; D43-R47 WeakPolarHBondContact O-CB 3.5Å; D43-R47 PolarHBondContact O-N 3.23Å; L44-R47 PolarHBondContact O-N 3.41Å; L44-R47 PolarHBondContact O-NH2 2.88Å; R47-G49 PolarHBondContact O-N 3.48Å; R47-E318 IonicContact CZ-OE1 3.55Å; R47-E318 VanDerWaalsContact CZ-OE1 3.28Å; R47-E318 IonicContact NH1-OE1 3.55Å; R47-E318 IonicContact NH2-OE1 3.5Å; R47-E318 PolarHBondContact NH2-OE1 2.87Å
48E98.1Very high97Very high74 Ų7446.9 Ų46.935%0.34628%0.284SS..THydrogen-bonded Turntrans-74.9-4.6175.8-74.3163.9-159.300113.5L44 I45 Q46L44-E48 WeakPolarHBondContact O-CG 3.21Å; L44-E48 PolarHBondContact O-N 3.16Å; I45-E48 PolarHBondContact O-N 3.37Å; Q46-E48 PolarHBondContact O-N 3.33Å
49G97Very high96.9Very high37 Ų3751.9 Ų51.938%0.38131%0.311SS..THydrogen-bonded Turntrans79.420.3178.600000113.8I45 Q46 R47I45-G49 PolarHBondContact O-N 3.12Å; Q46-G49 PolarHBondContact O-N 2.74Å; R47-G49 PolarHBondContact O-N 3.48Å
50Q95.8Very high96.9Very high141 Ų14152.7 Ų52.766%0.65932%0.315SS*.SBendtrans-110.4-2-176.8-66.8175.729.300113I45I45-Q50 HydrophobicContact CG2-CB 3.46Å; I45-Q50 VanDerWaalsContact CG2-CB 3.46Å; I45-Q50 PolarHBondContact O-N 2.97Å
51Y95.4Very high96.9Very high64 Ų6452 Ų5225%0.25131%0.311SS..SBendtrans-141.981.5179.9-151.2-69.8000111I45 Q46 R267I45-Y51 HydrophobicContact CG2-CD2 4.29Å; I45-Y51 HydrophobicContact CG2-CG 4.49Å; I45-Y51 PolarHBondContact O-N 2.86Å; Q46-Y51 WeakPolarHBondContact CA-O 3.4Å; Q46-Y51 WeakPolarHBondContact CB-O 3.36Å; Q46-Y51 WeakPolarHBondContact CG-O 3.03Å; Y51-R267 HydrophobicContact CE1-CG 4.5Å
52D95.4Very high96.9Very high132 Ų13248.6 Ų48.671%0.70630%0.298SS*.PPolyproline II helixtrans-64.2142.2177.2-70.7-29.8000111.2
53P95.8Very high96.9Very high31 Ų3147.8 Ų47.820%0.20129%0.292CS..PPolyproline II helixtrans-60.3150170.729.8-37.6000110.4A57 S58 N59P53-A57 HydrophobicContact CB-CB 4.31Å; P53-S58 WeakPolarHBondContact CB-O 3.46Å; P53-N59 HydrophobicContact CG-CB 4.36Å
54P95.7Very high97Very high29 Ų2947.8 Ų47.819%0.18829%0.292CS..PPolyproline II helixtrans-55.6149.1172.6-23.733000111.9G56 A57 R267P54-G56 PolarHBondContact O-N 2.93Å; P54-A57 VanDerWaalsContact O-CB 3.28Å; P54-A57 WeakPolarHBondContact O-CB 3.36Å; P54-A57 PolarHBondContact O-N 3.21Å; P54-R267 HydrophobicContact CG-CG 4.03Å; P54-R267 WeakPolarHBondContact CG-O 3.46Å
55P94.8Very high97Very high138 Ų13847.6 Ų47.690%0.89629%0.291SS*.THydrogen-bonded Turntrans-51.8130.8177.5-27.535000112.5A57P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 3.09Å
56G92.6Very high97Very high90 Ų9045.2 Ų45.293%0.92828%0.278SS*.THydrogen-bonded Turntrans85-15.6-17800000115.2P54P54-G56 PolarHBondContact O-N 2.93Å
57A95.8Very high97Very high28 Ų2844.8 Ų44.823%0.23128%0.276CS..SBendtrans-76.1156.3172.900000111.7P53 P54 P55 P91P53-A57 HydrophobicContact CB-CB 4.31Å; P54-A57 VanDerWaalsContact O-CB 3.28Å; P54-A57 WeakPolarHBondContact O-CB 3.36Å; P54-A57 PolarHBondContact O-N 3.21Å; P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 3.09Å; A57-P91 HydrophobicContact CB-CB 3.73Å; A57-P91 HydrophobicContact CB-CG 3.84Å
58S96.3Very high97.1Very high48 Ų4848.1 Ų48.134%0.33629%0.292SS..  trans-61.3142.2173.8-177.70000111.6P53 I60P53-S58 WeakPolarHBondContact CB-O 3.46Å; S58-I60 VanDerWaalsContact C-N 3.29Å; S58-I60 WeakPolarHBondContact OG-CB 3.48Å; S58-I60 PolarHBondContact OG-N 3.41Å
59N96.7Very high97.1Very high105 Ų10544.7 Ų44.756%0.56128%0.276SS*.SBendtrans-82.5-5172.566.6-14.6000113.8Q46 P53Q46-N59 PolarHBondContact NE2-O 3.44Å; P53-N59 HydrophobicContact CG-CB 4.36Å
60I98.6Very high97.2Very high19 Ų1944.5 Ų44.510%0.09727%0.271CS..SBendtrans-70.9143.8173.1-62.2168.7000109.3M1 A3 V20 S58 G93 A96M1-I60 HydrophobicContact CE-CD1 4.37Å; A3-I60 HydrophobicContact CB-CD1 4.09Å; A3-I60 HydrophobicContact CB-CG2 4.3Å; V20-I60 HydrophobicContact CG2-CD1 4.16Å; S58-I60 VanDerWaalsContact C-N 3.29Å; S58-I60 WeakPolarHBondContact OG-CB 3.48Å; S58-I60 PolarHBondContact OG-N 3.41Å; I60-G93 PolarHBondContact O-N 3.23Å; I60-A96 HydrophobicContact CG2-CB 4.33Å
61L98.8Very high97.3Very high1 Ų141.7 Ų41.71%0.00526%0.258CS..SBendtrans-65.7166.1178.7-62.7-177.7000112.9V4 F6 L15 D43 Q46 G93 G94 Q95V4-L61 HydrophobicContact CG1-CD1 4.02Å; F6-L61 HydrophobicContact CD1-CD1 4.37Å; F6-L61 HydrophobicContact CD1-CG 4.47Å; F6-L61 HydrophobicContact CE1-CD1 4.23Å; F6-L61 HydrophobicContact CE1-CD2 3.88Å; F6-L61 HydrophobicContact CE1-CG 3.95Å; L15-L61 HydrophobicContact CD2-CD1 3.76Å; D43-L61 HydrophobicContact CB-CD1 4.38Å; D43-L61 HydrophobicContact CB-CD2 4.27Å; Q46-L61 HydrophobicContact CB-CD2 4.01Å; Q46-L61 HydrophobicContact CG-CD2 3.83Å; L61-G93 CarbonylContact O-C 3.6Å; L61-G93 PolarHBondContact O-N 3.39Å; L61-G94 PolarHBondContact O-N 3.27Å; L61-Q95 WeakPolarHBondContact O-CB 3.49Å; L61-Q95 PolarHBondContact O-N 3.05Å
62G98.6Very high97.4Very high0 Ų041.6 Ų41.60%026%0.261CS..  trans102.2112176.700000113.7D43 G92 G93 G94D43-G62 PolarHBondContact OD1-N 2.86Å; D43-G62 VanDerWaalsContact OD1-N 3.08Å; G62-G92 CarbonylContact O-C 3.57Å; G62-G92 VanDerWaalsContact O-CA 3.23Å; G62-G92 WeakPolarHBondContact O-CA 3.12Å; G62-G93 PolarHBondContact O-N 3.18Å; G62-G94 PolarHBondContact O-N 3.45Å
63L98.9Very high97.6Very high1 Ų135.8 Ų35.81%0.00523%0.232CC..SBendtrans-98.11179.6-57.9-172.4000114N40 A42 L90 E123 R267N40-L63 HydrophobicContact CB-CD1 4.41Å; A42-L63 HydrophobicContact CB-CD1 3.56Å; L63-L90 WeakPolarHBondContact CA-O 3.24Å; L63-L90 PolarHBondContact O-N 3.44Å; L63-E123 HydrophobicContact CB-CG 4.23Å; L63-E123 HydrophobicContact CD1-CG 4.48Å; L63-R267 HydrophobicContact CD2-CG 4.39Å
64E98.9Very high97.6Very high0 Ų038.7 Ų38.70%025%0.251CS..EExtended strand (participates in β ladder)trans-155.6155.117765.6-155.5126.400110.4S37 A38 N40 A88 A119 P122 E123 K325S37-E64 PolarHBondContact OG-O 2.95Å; A38-E64 HydrophobicContact CB-CG 4.08Å; N40-E64 PolarHBondContact ND2-OE1 3.45Å; E64-A88 VanDerWaalsContact CA-O 3.24Å; E64-A88 WeakPolarHBondContact CA-O 3.29Å; E64-A119 VanDerWaalsContact CD-O 3.25Å; E64-A119 WeakPolarHBondContact CG-O 3.41Å; E64-P122 HydrophobicContact CB-CB 3.78Å; E64-P122 HydrophobicContact CB-CG 4.02Å; E64-P122 WeakPolarHBondContact OE2-CD 3.47Å; E64-E123 HydrophobicContact CB-CB 4.23Å; E64-E123 HydrophobicContact CG-CB 4.37Å; E64-E123 WeakPolarHBondContact OE1-CB 3.37Å; E64-E123 WeakPolarHBondContact OE2-CB 3.42Å; E64-E123 PolarHBondContact OE2-N 2.64Å; E64-K325 IonicContact OE1-NZ 3.58Å; E64-K325 PolarHBondContact OE1-NZ 3.18Å; E64-K325 IonicContact OE2-NZ 2.64Å
65A98.9Very high97.5Very high0 Ų039.7 Ų39.70%027%0.267CS..EExtended strand (participates in β ladder)trans-149.3156.2176.100000110.6L32 V34 A36 M87 A88 L90 V99L32-A65 HydrophobicContact CD2-CB 4.12Å; V34-A65 HydrophobicContact CG1-CB 3.91Å; V34-A65 HydrophobicContact CG2-CB 3.97Å; A36-A65 CarbonylContact O-C 3.5Å; A36-A65 WeakPolarHBondContact O-CA 3.46Å; A65-M87 CarbonylContact O-C 3.59Å; A65-M87 WeakPolarHBondContact O-CA 3.47Å; A65-A88 PolarHBondContact N-O 2.88Å; A65-A88 VanDerWaalsContact N-O 3.17Å; A65-A88 PolarHBondContact O-N 2.65Å; A65-L90 HydrophobicContact CB-CD1 3.71Å; A65-V99 HydrophobicContact CB-CG1 4.36Å
66S98.9Very high97.5Very high0 Ų034.6 Ų34.60%023%0.234CC..EExtended strand (participates in β ladder)trans-128.9147.3162.770.60000109.5A35 A36 A86 L115A35-S66 PolarHBondContact N-O 3.2Å; A36-S66 PolarHBondContact N-O 3.48Å; A36-S66 VanDerWaalsContact N-O 3.1Å; A36-S66 PolarHBondContact O-N 2.94Å; S66-A86 CarbonylContact C-O 3.53Å; S66-A86 VanDerWaalsContact CA-O 3.31Å; S66-A86 WeakPolarHBondContact CA-O 3.42Å; S66-L115 WeakPolarHBondContact CB-O 3.26Å; S66-L115 VanDerWaalsContact OG-C 3.28Å; S66-L115 PolarHBondContact OG-O 3.15Å
67G98.8Very high97.3Very high0 Ų037.4 Ų37.40%022%0.223CC..EExtended strand (participates in β ladder)trans176.4-161.1-171.900000113.1K33 A85 A86K33-G67 CarbonylContact O-C 3.51Å; K33-G67 WeakPolarHBondContact O-CA 3.31Å; G67-A85 CarbonylContact O-C 3.53Å; G67-A85 WeakPolarHBondContact O-CA 3.41Å; G67-A86 PolarHBondContact N-O 2.95Å; G67-A86 PolarHBondContact O-N 3.06Å
68H98.9Very high96.8Very high72 Ų7238.6 Ų38.633%0.33324%0.238SC..EExtended strand (participates in β ladder)trans-113.1140.2176-64.1-85.2000110.6K33 A70 G83 D84K33-H68 PolarHBondContact N-O 2.85Å; K33-H68 PolarHBondContact O-N 2.92Å; H68-A70 PolarHBondContact O-N 3.06Å; H68-A70 VanDerWaalsContact O-N 3.13Å; H68-G83 PolarHBondContact ND1-O 3.29Å; H68-D84 CarbonylContact C-O 3.45Å; H68-D84 VanDerWaalsContact CA-O 3.29Å; H68-D84 WeakPolarHBondContact CA-O 3.36Å
69V98.8Very high96.5Very high2 Ų243.7 Ų43.71%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-61.7116.6171177.60000108.4V30 L32 L72 W80 K81 I82 G83 D84V30-V69 HydrophobicContact CB-CG1 4.28Å; L32-V69 HydrophobicContact CD1-CG2 4.44Å; V69-L72 HydrophobicContact CG1-CD2 3.81Å; V69-L72 HydrophobicContact CG1-CG 4.49Å; V69-W80 HydrophobicContact CG2-CE3 4.28Å; V69-K81 WeakPolarHBondContact CB-O 3.36Å; V69-I82 CarbonylContact O-C 3.5Å; V69-I82 WeakPolarHBondContact O-CA 3.41Å; V69-G83 PolarHBondContact O-N 3.2Å; V69-D84 HydrophobicContact CG2-CB 4.33Å; V69-D84 PolarHBondContact N-O 2.95Å
70A98.6Very high96.6Very high33 Ų3340.5 Ų40.527%0.27324%0.236SC..EExtended strand (participates in β ladder)trans-97.6-34.4-176.100000112.5L31 K33 H68 Y98L31-A70 HydrophobicContact CD2-CB 4.47Å; L31-A70 WeakPolarHBondContact O-CA 3.35Å; L31-A70 WeakPolarHBondContact O-CB 3.4Å; L31-A70 PolarHBondContact O-N 2.89Å; K33-A70 HydrophobicContact CB-CB 3.92Å; H68-A70 PolarHBondContact O-N 3.06Å; H68-A70 VanDerWaalsContact O-N 3.13Å; A70-Y98 HydrophobicContact CB-CD1 4.26Å; A70-Y98 HydrophobicContact CB-CE1 4.04Å
71E98.4Very high96.5Very high82 Ų8246.2 Ų46.238%0.38326%0.26SS..EExtended strand (participates in β ladder)trans-151.4148.8-178-164.3177.915300109.5P25 V30 L31P25-E71 HydrophobicContact CG-CB 4.3Å; P25-E71 HydrophobicContact CG-CG 4.14Å; V30-E71 WeakPolarHBondContact CA-O 3.49Å; L31-E71 HydrophobicContact CB-CB 3.74Å; L31-E71 HydrophobicContact CD2-CB 4.22Å; L31-E71 PolarHBondContact N-O 2.82Å; L31-E71 PolarHBondContact O-N 3.47Å
72L98.4Very high96.5Very high63 Ų6351.6 Ų51.633%0.3329%0.288SS..EExtended strand (participates in β ladder)trans-108.4126.5173.8-63.6173.8000108.4V30 V69 W80 I82V30-L72 HydrophobicContact CB-CD2 4.38Å; V30-L72 HydrophobicContact CG1-CD2 3.65Å; V69-L72 HydrophobicContact CG1-CD2 3.81Å; V69-L72 HydrophobicContact CG1-CG 4.49Å; L72-W80 HydrophobicContact CD2-CB 4.43Å; L72-I82 HydrophobicContact CG-CG1 4.33Å
73G97.7Very high96.5Very high9 Ų953.7 Ų53.79%0.09331%0.309CS..  trans-74.2169171.700000112.2E29 C76E29-G73 VanDerWaalsContact O-CA 3.23Å; E29-G73 WeakPolarHBondContact O-CA 3.37Å; E29-G73 PolarHBondContact O-N 3.13Å; G73-C76 PolarHBondContact O-SG 3.3Å
74P97.3Very high96.5Very high92 Ų9256.3 Ų56.360%0.59732%0.323SS*.THydrogen-bonded Turntrans-56.1149.7174.3-22.533.7000111.9E27 G28 C76E27-P74 CarbonylContact C-O 3.59Å; E27-P74 VanDerWaalsContact CA-O 3.29Å; E27-P74 WeakPolarHBondContact CA-O 3.44Å; G28-P74 PolarHBondContact N-O 2.9Å; P74-C76 VanDerWaalsContact C-N 3.26Å; P74-C76 PolarHBondContact O-N 3.48Å
75G93.9Very high96.5Very high51 Ų5158.3 Ų58.353%0.52634%0.339SS..THydrogen-bonded Turntrans73.46.6171.900000116.2H77G75-H77 PolarHBondContact O-CD2 3.05Å
76C94.4Very high96.5Very high31 Ų3158.3 Ų58.321%0.20934%0.339CS..  trans-63.1141.7170.2-65.40000111.2E29 G73 P74 G78 E103E29-C76 PolarHBondContact O-SG 2.78Å; E29-C76 VanDerWaalsContact O-SG 3.34Å; G73-C76 PolarHBondContact O-SG 3.3Å; P74-C76 VanDerWaalsContact C-N 3.26Å; P74-C76 PolarHBondContact O-N 3.48Å; C76-G78 PolarHBondContact O-N 3.1Å; C76-E103 WeakPolarHBondContact CA-OE1 3.45Å
77H88.5Confident96.5Very high149 Ų14958.3 Ų58.369%0.6934%0.339SS*.  trans-78.8-4.7-173.1-65-172000113.5G75 E103G75-H77 PolarHBondContact O-CD2 3.05Å; H77-E103 WeakPolarHBondContact CB-OE1 3.45Å; H77-E103 IonicContact CD2-OE1 3.28Å; H77-E103 PolarHBondContact CD2-OE1 2.89Å; H77-E103 IonicContact CG-OE1 3.43Å; H77-E103 VanDerWaalsContact CG-OE1 3.3Å; H77-E103 PolarHBondContact N-OE1 3.44Å; H77-E103 PolarHBondContact N-OE2 3.28Å; H77-E103 IonicContact ND1-OE1 2.71Å
78G84.2Confident96.5Very high52 Ų5258.3 Ų58.354%0.53634%0.339SS..SBendtrans85.812.2171.500000115.4C76C76-G78 PolarHBondContact O-N 3.1Å
79H91Very high96.5Very high155 Ų15555.1 Ų55.172%0.71833%0.325SS*.SBendtrans-73.7-30.8172.9-65-55000112.8
80W97.6Very high96.5Very high38 Ų3855.2 Ų55.214%0.14433%0.325CS..  trans-103.1143.3179.1-66.4102.6000111.5V69 L72 D84 A86 L106 P108V69-W80 HydrophobicContact CG2-CE3 4.28Å; L72-W80 HydrophobicContact CD2-CB 4.43Å; W80-D84 HydrophobicContact CE3-CB 3.83Å; W80-D84 HydrophobicContact CZ3-CB 4.15Å; W80-A86 HydrophobicContact CE3-CB 4.38Å; W80-A86 HydrophobicContact CH2-CB 3.78Å; W80-A86 HydrophobicContact CZ3-CB 3.7Å; W80-L106 HydrophobicContact CD2-CB 4.42Å; W80-L106 HydrophobicContact CD2-CD1 3.91Å; W80-L106 HydrophobicContact CG-CD1 3.81Å; W80-L106 HydrophobicContact CH2-CB 4.31Å; W80-L106 HydrophobicContact CZ2-CB 3.5Å; W80-L106 VanDerWaalsContact CZ2-CB 3.5Å; W80-L106 HydrophobicContact CZ2-CD1 4.48Å; W80-P108 HydrophobicContact CH2-CB 4.22Å
81K97.9Very high96.5Very high139 Ų13955.4 Ų55.460%0.60432%0.324SS*.  trans-121.8153.3176.3-61.2175.8-174.41720110.5V69 G83 D84V69-K81 WeakPolarHBondContact CB-O 3.36Å; K81-G83 PolarHBondContact O-N 3.46Å; K81-D84 PolarHBondContact N-OD2 3.07Å; K81-D84 VanDerWaalsContact O-CB 3.3Å; K81-D84 WeakPolarHBondContact O-CB 3.3Å; K81-D84 VanDerWaalsContact O-CG 3.32Å; K81-D84 PolarHBondContact O-N 2.96Å
82I98.5Very high96.5Very high115 Ų11551.7 Ų51.759%0.5931%0.308SS*.THydrogen-bonded Turntrans-57.4129.6170.9-62.6174.3000109V69 L72V69-I82 CarbonylContact O-C 3.5Å; V69-I82 WeakPolarHBondContact O-CA 3.41Å; L72-I82 HydrophobicContact CG-CG1 4.33Å
83G98.2Very high96.5Very high43 Ų4348.9 Ų48.944%0.44329%0.293SS..THydrogen-bonded Turntrans99.6-20.8-175.900000114.4H68 V69 K81 A85H68-G83 PolarHBondContact ND1-O 3.29Å; V69-G83 PolarHBondContact O-N 3.2Å; K81-G83 PolarHBondContact O-N 3.46Å; G83-A85 PolarHBondContact O-N 3.43Å
84D98.6Very high96.5Very high56 Ų5648.4 Ų48.430%0.29929%0.289SS..  trans-60.6135.3179.7-70.9-12.8000110.7H68 V69 W80 K81H68-D84 CarbonylContact C-O 3.45Å; H68-D84 VanDerWaalsContact CA-O 3.29Å; H68-D84 WeakPolarHBondContact CA-O 3.36Å; V69-D84 HydrophobicContact CG2-CB 4.33Å; V69-D84 PolarHBondContact N-O 2.95Å; W80-D84 HydrophobicContact CE3-CB 3.83Å; W80-D84 HydrophobicContact CZ3-CB 4.15Å; K81-D84 PolarHBondContact N-OD2 3.07Å; K81-D84 VanDerWaalsContact O-CB 3.3Å; K81-D84 WeakPolarHBondContact O-CB 3.3Å; K81-D84 VanDerWaalsContact O-CG 3.32Å; K81-D84 PolarHBondContact O-N 2.96Å
85A98.7Very high96.6Very high42 Ų4244.1 Ų44.135%0.34726%0.261SS..EExtended strand (participates in β ladder)trans-84.1126.7177.100000110.1G67 G83 I109G67-A85 CarbonylContact O-C 3.53Å; G67-A85 WeakPolarHBondContact O-CA 3.41Å; G83-A85 PolarHBondContact O-N 3.43Å; A85-I109 HydrophobicContact CB-CD1 4Å
86A98.8Very high96.8Very high0 Ų041.7 Ų41.70%024%0.236CC..EExtended strand (participates in β ladder)trans-143.4161.5-174.800000111.7L32 S66 G67 W80 L106 M107L32-A86 HydrophobicContact CD1-CB 4.2Å; S66-A86 CarbonylContact C-O 3.53Å; S66-A86 VanDerWaalsContact CA-O 3.31Å; S66-A86 WeakPolarHBondContact CA-O 3.42Å; G67-A86 PolarHBondContact N-O 2.95Å; G67-A86 PolarHBondContact O-N 3.06Å; W80-A86 HydrophobicContact CE3-CB 4.38Å; W80-A86 HydrophobicContact CH2-CB 3.78Å; W80-A86 HydrophobicContact CZ3-CB 3.7Å; A86-L106 HydrophobicContact CB-CD2 3.9Å; A86-M107 WeakPolarHBondContact CA-O 3.3Å
87M98.9Very high97Very high0 Ų041.9 Ų41.90%023%0.234CC..EExtended strand (participates in β ladder)trans-127.4153.516963.6-176.6-177.800110.6A65 M107 I109 A118 I121 P122 L286A65-M87 CarbonylContact O-C 3.59Å; A65-M87 WeakPolarHBondContact O-CA 3.47Å; M87-M107 HydrophobicContact CE-CB 3.85Å; M87-M107 HydrophobicContact CE-SD 4.37Å; M87-M107 HydrophobicContact CG-CB 3.95Å; M87-M107 HydrophobicContact CG-CE 4.38Å; M87-M107 PolarHBondContact N-O 2.85Å; M87-M107 PolarHBondContact O-N 3.34Å; M87-I109 HydrophobicContact CB-CG1 4.5Å; M87-A118 HydrophobicContact CB-CB 4.41Å; M87-A118 HydrophobicContact SD-CB 3.97Å; M87-I121 HydrophobicContact CE-CB 4.19Å; M87-I121 HydrophobicContact CE-CD1 4.16Å; M87-I121 HydrophobicContact CE-CG2 3.86Å; M87-I121 HydrophobicContact SD-CB 3.81Å; M87-I121 HydrophobicContact SD-CD1 3.95Å; M87-I121 HydrophobicContact SD-CG1 4.37Å; M87-I121 HydrophobicContact SD-CG2 4.15Å; M87-P122 HydrophobicContact CB-CG 3.99Å; M87-P122 HydrophobicContact CG-CG 4.12Å; M87-P122 HydrophobicContact SD-CG 4.29Å; M87-L286 HydrophobicContact CE-CD1 3.3Å
88A98.9Very high97.5Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-142144.2-17000000112.9E64 A65 L90 V101 L106 P122E64-A88 VanDerWaalsContact CA-O 3.24Å; E64-A88 WeakPolarHBondContact CA-O 3.29Å; A65-A88 PolarHBondContact N-O 2.88Å; A65-A88 VanDerWaalsContact N-O 3.17Å; A65-A88 PolarHBondContact O-N 2.65Å; A88-L90 HydrophobicContact CB-CD2 3.96Å; A88-L90 HydrophobicContact CB-CG 4.37Å; A88-V101 HydrophobicContact CB-CB 4.5Å; A88-V101 HydrophobicContact CB-CG1 3.63Å; A88-V101 HydrophobicContact CB-CG2 4.1Å; A88-L106 HydrophobicContact CB-CD2 4.31Å; A88-P122 VanDerWaalsContact O-CB 3.31Å; A88-P122 WeakPolarHBondContact O-CB 3.35Å; A88-P122 WeakPolarHBondContact O-CG 3.32Å
89L98.9Very high98.2Very high5 Ų534.9 Ų34.93%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-83.6133161.1176.968.9000109.2P122 E123 L126 L266 K274L89-P122 HydrophobicContact CB-CB 4.38Å; L89-E123 HydrophobicContact CD1-CB 4.45Å; L89-E123 WeakPolarHBondContact CD1-OE2 3.28Å; L89-L126 HydrophobicContact CB-CD1 3.68Å; L89-L126 HydrophobicContact CD1-CD1 4.38Å; L89-L126 HydrophobicContact CD2-CD1 3.94Å; L89-L126 HydrophobicContact CG-CD1 4.21Å; L89-L266 HydrophobicContact CD1-CD2 4.07Å; L89-L266 HydrophobicContact CD2-CD1 4.19Å; L89-L266 HydrophobicContact CD2-CD2 3.9Å; L89-L266 HydrophobicContact CD2-CG 4.12Å; L89-K274 HydrophobicContact CD2-CG 4.41Å
90L98.8Very high98.6Very high5 Ų529.5 Ų29.53%0.02616%0.164CC..  trans-129.3145.7-173.1-55.2172000111.8L63 A65 A88 V99 V101L63-L90 WeakPolarHBondContact CA-O 3.24Å; L63-L90 PolarHBondContact O-N 3.44Å; A65-L90 HydrophobicContact CB-CD1 3.71Å; A88-L90 HydrophobicContact CB-CD2 3.96Å; A88-L90 HydrophobicContact CB-CG 4.37Å; L90-V99 HydrophobicContact CD1-CG1 4.09Å; L90-V99 HydrophobicContact CD1-CG2 4.03Å; L90-V99 HydrophobicContact CD2-CG1 4.42Å; L90-V99 HydrophobicContact CD2-CG2 4.15Å; L90-V101 HydrophobicContact CD2-CB 4.4Å; L90-V101 HydrophobicContact CD2-CG1 4.12Å; L90-V101 HydrophobicContact CD2-CG2 3.63Å
91P98.1Very high98.6Very high37 Ų3727.7 Ų27.724%0.2416%0.157CC..SBendtrans-78.7-9.3168.434.2-35.2000113.1A57 R267A57-P91 HydrophobicContact CB-CB 3.73Å; A57-P91 HydrophobicContact CB-CG 3.84Å; P91-R267 VanDerWaalsContact O-CZ 3.28Å; P91-R267 PolarHBondContact O-NE 3.49Å; P91-R267 PolarHBondContact O-NH2 3.06Å
92G98.6Very high98.7Very high4 Ų422.1 Ų22.14%0.04114%0.136CC..SBendtrans162.2168.4-177.100000110.8G62G62-G92 CarbonylContact O-C 3.57Å; G62-G92 VanDerWaalsContact O-CA 3.23Å; G62-G92 WeakPolarHBondContact O-CA 3.12Å
93G98.6Very high98.6Very high3 Ų317.5 Ų17.53%0.03111%0.112CC..  trans87.9-0.3173.400000116.7I60 L61 G62 Q95I60-G93 PolarHBondContact O-N 3.23Å; L61-G93 CarbonylContact O-C 3.6Å; L61-G93 PolarHBondContact O-N 3.39Å; G62-G93 PolarHBondContact O-N 3.18Å; G93-Q95 VanDerWaalsContact C-N 3.29Å; G93-Q95 PolarHBondContact O-N 3.43Å
94G98.7Very high98.6Very high0 Ų016.9 Ų16.90%010%0.101CC..  trans-66-27.1-179.400000114.4S37 L61 G62 A96S37-G94 WeakPolarHBondContact CB-O 3.37Å; L61-G94 PolarHBondContact O-N 3.27Å; G62-G94 PolarHBondContact O-N 3.45Å; G94-A96 PolarHBondContact O-N 2.99Å
95Q98.8Very high98.6Very high1 Ų114.4 Ų14.41%0.0059%0.087CC..SBendtrans-87.948.7179.5-64.1168.718.300111.6V4 S37 D43 L61 G93 L328V4-Q95 HydrophobicContact CB-CB 3.98Å; V4-Q95 HydrophobicContact CG2-CB 3.82Å; V4-Q95 PolarHBondContact N-O 2.86Å; S37-Q95 VanDerWaalsContact OG-CG 3.24Å; S37-Q95 WeakPolarHBondContact OG-CG 3.46Å; D43-Q95 PolarHBondContact OD2-NE2 3.23Å; L61-Q95 WeakPolarHBondContact O-CB 3.49Å; L61-Q95 PolarHBondContact O-N 3.05Å; G93-Q95 VanDerWaalsContact C-N 3.29Å; G93-Q95 PolarHBondContact O-N 3.43Å; Q95-L328 HydrophobicContact CG-CD1 3.78Å
96A98.8Very high98.6Very high1 Ų112.9 Ų12.91%0.0087%0.073CC..BIsolated β-bridgetrans-147.2154.1176.500000111.4M1 A3 V34 I60 G94 Y98 L330M1-A96 HydrophobicContact CE-CB 3.67Å; M1-A96 HydrophobicContact SD-CB 4.26Å; A3-A96 HydrophobicContact CB-CB 3.49Å; A3-A96 VanDerWaalsContact CB-CB 3.49Å; V34-A96 VanDerWaalsContact CB-O 3.3Å; V34-A96 WeakPolarHBondContact CB-O 3.45Å; V34-A96 VanDerWaalsContact CG2-O 3.28Å; V34-A96 WeakPolarHBondContact CG2-O 3.39Å; I60-A96 HydrophobicContact CG2-CB 4.33Å; G94-A96 PolarHBondContact O-N 2.99Å; A96-Y98 PolarHBondContact O-N 2.93Å; A96-L330 WeakPolarHBondContact O-CD2 3.47Å
97Q98.8Very high98.6Very high34 Ų3412.9 Ų12.916%0.1597%0.073CC..SBendtrans-59.4-25.7-173.4-70.1-179.5-58.300113.8M1 L2 V34 P331M1-Q97 HydrophobicContact CB-CB 4.34Å; L2-Q97 HydrophobicContact CB-CG 4.06Å; L2-Q97 PolarHBondContact O-N 2.96Å; V34-Q97 PolarHBondContact N-O 2.85Å; Q97-P331 PolarHBondContact NE2-O 2.67Å
98Y98.9Very high98.6Very high46 Ų4615.7 Ų15.718%0.189%0.092CC..EExtended strand (participates in β ladder)trans-138141.6175.7-61.3-94.3000110.6M1 K22 L31 L32 K33 A70 A96M1-Y98 HydrophobicContact CB-CD2 4.18Å; M1-Y98 WeakPolarHBondContact CE-O 3.38Å; M1-Y98 HydrophobicContact SD-CD2 4.29Å; M1-Y98 VanDerWaalsContact SD-O 3.32Å; K22-Y98 HydrophobicContact CD-CD2 4.11Å; K22-Y98 HydrophobicContact CD-CE2 4.4Å; K22-Y98 HydrophobicContact CD-CG 4.29Å; K22-Y98 HydrophobicContact CG-CD2 4.19Å; K22-Y98 HydrophobicContact CG-CG 4.26Å; L31-Y98 HydrophobicContact CD2-CD1 3.85Å; L31-Y98 HydrophobicContact CD2-CG 4.44Å; L31-Y98 HydrophobicContact CG-CD1 4.06Å; L32-Y98 VanDerWaalsContact O-CA 3.28Å; L32-Y98 WeakPolarHBondContact O-CA 3.36Å; K33-Y98 HydrophobicContact CB-CD1 4Å; K33-Y98 HydrophobicContact CB-CE1 3.68Å; K33-Y98 HydrophobicContact CD-CE1 4.2Å; K33-Y98 HydrophobicContact CG-CD1 4.37Å; K33-Y98 HydrophobicContact CG-CE1 3.79Å; A70-Y98 HydrophobicContact CB-CD1 4.26Å; A70-Y98 HydrophobicContact CB-CE1 4.04Å; A96-Y98 PolarHBondContact O-N 2.93Å
99V98.9Very high98.5Very high8 Ų817.4 Ų17.45%0.04810%0.1CC..EExtended strand (participates in β ladder)trans-140.3142.3176.966.70000110.5L32 V34 A65 L90 V101L32-V99 HydrophobicContact CB-CG1 4.04Å; L32-V99 HydrophobicContact CD2-CG1 4.5Å; L32-V99 PolarHBondContact N-O 3.24Å; L32-V99 PolarHBondContact O-N 3.33Å; V34-V99 HydrophobicContact CG2-CB 4.25Å; V34-V99 HydrophobicContact CG2-CG1 3.58Å; A65-V99 HydrophobicContact CB-CG1 4.36Å; L90-V99 HydrophobicContact CD1-CG1 4.09Å; L90-V99 HydrophobicContact CD1-CG2 4.03Å; L90-V99 HydrophobicContact CD2-CG1 4.42Å; L90-V99 HydrophobicContact CD2-CG2 4.15Å; V99-V101 HydrophobicContact CG1-CG2 3.97Å
100T98.7Very high98.5Very high42 Ų4217.6 Ų17.626%0.25810%0.102SC..EExtended strand (participates in β ladder)trans-85.2138.4172.953.60000110.1P23 P25 V30 L31P23-T100 HydrophobicContact CB-CG2 3.85Å; P23-T100 HydrophobicContact CG-CG2 4.14Å; P25-T100 HydrophobicContact CB-CG2 4.41Å; V30-T100 CarbonylContact O-C 3.18Å; V30-T100 WeakPolarHBondContact O-CA 3.43Å; L31-T100 HydrophobicContact CD1-CG2 3.94Å
101V98.6Very high98.3Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-140.9126.5-175.1-167.10000108.8E29 V30 L32 A88 L90 V99 E103 L105 L106E29-V101 CarbonylContact C-O 3.5Å; E29-V101 VanDerWaalsContact CA-O 3.26Å; E29-V101 WeakPolarHBondContact CA-O 3.4Å; V30-V101 HydrophobicContact CG2-CB 4.28Å; V30-V101 PolarHBondContact N-O 2.92Å; V30-V101 PolarHBondContact O-N 3.44Å; L32-V101 HydrophobicContact CB-CG2 4.17Å; A88-V101 HydrophobicContact CB-CB 4.5Å; A88-V101 HydrophobicContact CB-CG1 3.63Å; A88-V101 HydrophobicContact CB-CG2 4.1Å; L90-V101 HydrophobicContact CD2-CB 4.4Å; L90-V101 HydrophobicContact CD2-CG1 4.12Å; L90-V101 HydrophobicContact CD2-CG2 3.63Å; V99-V101 HydrophobicContact CG1-CG2 3.97Å; V101-E103 PolarHBondContact O-N 2.86Å; V101-L105 HydrophobicContact CG1-CB 4.21Å; V101-L106 HydrophobicContact CB-CD2 4.31Å; V101-L106 HydrophobicContact CG1-CD2 4.13Å; V101-L106 HydrophobicContact CG1-CG 4.31Å
102P98.1Very high98.2Very high23 Ų2327.1 Ų27.115%0.14916%0.161CC..EExtended strand (participates in β ladder)trans-54.1129.2165.4-23.433.3000109.7E29 S104 L105E29-P102 HydrophobicContact CG-CG 4.42Å; P102-S104 PolarHBondContact O-N 2.91Å; P102-L105 HydrophobicContact CB-CD1 4.45Å; P102-L105 HydrophobicContact CB-CG 4.25Å; P102-L105 HydrophobicContact CG-CD1 4.2Å; P102-L105 PolarHBondContact O-N 3.46Å
103E97.8Very high98.2Very high18 Ų1828 Ų288%0.08417%0.165CC..G310 helixtrans-60.1-23.8-172.974.8176.5156.700112.6G28 V30 C76 H77 V101 L105 L106G28-E103 PolarHBondContact O-N 3.22Å; V30-E103 HydrophobicContact CG1-CB 4.06Å; C76-E103 WeakPolarHBondContact CA-OE1 3.45Å; H77-E103 WeakPolarHBondContact CB-OE1 3.45Å; H77-E103 IonicContact CD2-OE1 3.28Å; H77-E103 PolarHBondContact CD2-OE1 2.89Å; H77-E103 IonicContact CG-OE1 3.43Å; H77-E103 VanDerWaalsContact CG-OE1 3.3Å; H77-E103 PolarHBondContact N-OE1 3.44Å; H77-E103 PolarHBondContact N-OE2 3.28Å; H77-E103 IonicContact ND1-OE1 2.71Å; V101-E103 PolarHBondContact O-N 2.86Å; E103-L105 PolarHBondContact O-N 3.48Å; E103-L106 HydrophobicContact CB-CD1 4.19Å; E103-L106 WeakPolarHBondContact O-CB 3.27Å; E103-L106 PolarHBondContact O-N 3.04Å
104S97.3Very high98.2Very high30 Ų3031.3 Ų31.321%0.2119%0.185CC..G310 helixtrans-70.1-11.117661.70000114.7P102P102-S104 PolarHBondContact O-N 2.91Å
105L98.6Very high98.2Very high3 Ų333.3 Ų33.32%0.01620%0.195CC..G310 helixtrans-106-0.8175.3-53.7-173.5000112.7V101 P102 E103 K274 Q275 V278V101-L105 HydrophobicContact CG1-CB 4.21Å; P102-L105 HydrophobicContact CB-CD1 4.45Å; P102-L105 HydrophobicContact CB-CG 4.25Å; P102-L105 HydrophobicContact CG-CD1 4.2Å; P102-L105 PolarHBondContact O-N 3.46Å; E103-L105 PolarHBondContact O-N 3.48Å; L105-K274 HydrophobicContact CD1-CB 4.28Å; L105-K274 HydrophobicContact CD1-CD 4.37Å; L105-K274 HydrophobicContact CD2-CB 3.61Å; L105-Q275 HydrophobicContact CD2-CB 4.48Å; L105-V278 HydrophobicContact CD2-CB 4.49Å; L105-V278 HydrophobicContact CD2-CG2 4Å
106L98.6Very high98.1Very high10 Ų1034.1 Ų34.15%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-76.1138.9170.2-65.6165.7000109.9V30 L32 W80 A86 A88 V101 E103V30-L106 HydrophobicContact CB-CD1 4.36Å; V30-L106 HydrophobicContact CG1-CD1 3.88Å; V30-L106 HydrophobicContact CG2-CD1 3.54Å; V30-L106 HydrophobicContact CG2-CD2 4.05Å; V30-L106 HydrophobicContact CG2-CG 4.21Å; L32-L106 HydrophobicContact CD1-CD2 4.33Å; W80-L106 HydrophobicContact CD2-CB 4.42Å; W80-L106 HydrophobicContact CD2-CD1 3.91Å; W80-L106 HydrophobicContact CG-CD1 3.81Å; W80-L106 HydrophobicContact CH2-CB 4.31Å; W80-L106 HydrophobicContact CZ2-CB 3.5Å; W80-L106 VanDerWaalsContact CZ2-CB 3.5Å; W80-L106 HydrophobicContact CZ2-CD1 4.48Å; A86-L106 HydrophobicContact CB-CD2 3.9Å; A88-L106 HydrophobicContact CB-CD2 4.31Å; V101-L106 HydrophobicContact CB-CD2 4.31Å; V101-L106 HydrophobicContact CG1-CD2 4.13Å; V101-L106 HydrophobicContact CG1-CG 4.31Å; E103-L106 HydrophobicContact CB-CD1 4.19Å; E103-L106 WeakPolarHBondContact O-CB 3.27Å; E103-L106 PolarHBondContact O-N 3.04Å
107M98.8Very high98.1Very high0 Ų037.1 Ų37.10%021%0.214CC..EExtended strand (participates in β ladder)trans-123.5141.8172.5-65.7166.9-76.100108.8A86 M87 P122 L126 V278 F281 L286A86-M107 WeakPolarHBondContact CA-O 3.3Å; M87-M107 HydrophobicContact CE-CB 3.85Å; M87-M107 HydrophobicContact CE-SD 4.37Å; M87-M107 HydrophobicContact CG-CB 3.95Å; M87-M107 HydrophobicContact CG-CE 4.38Å; M87-M107 PolarHBondContact N-O 2.85Å; M87-M107 PolarHBondContact O-N 3.34Å; M107-P122 HydrophobicContact CE-CB 3.8Å; M107-P122 HydrophobicContact CE-CG 3.98Å; M107-L126 HydrophobicContact CE-CD1 3.74Å; M107-L126 HydrophobicContact SD-CD1 4.14Å; M107-L126 HydrophobicContact SD-CD2 4.45Å; M107-V278 HydrophobicContact CG-CG1 3.65Å; M107-V278 HydrophobicContact SD-CG1 4.11Å; M107-F281 HydrophobicContact SD-CD1 3.79Å; M107-F281 HydrophobicContact SD-CE1 4.06Å; M107-L286 HydrophobicContact CB-CD2 4.22Å
108P98.6Very high98.1Very high60 Ų6035.5 Ų35.539%0.3921%0.207SC..EExtended strand (participates in β ladder)trans-65.8149.2173.928-33.4000110.4W80 P110 L286W80-P108 HydrophobicContact CH2-CB 4.22Å; P108-P110 WeakPolarHBondContact O-CD 3.48Å; P108-L286 HydrophobicContact CG-CD2 3.67Å
109I98.6Very high98.1Very high35 Ų3533.3 Ų33.318%0.17920%0.198CC..PPolyproline II helixtrans-77.4125173.3-64.9-177.2000108.5A85 M87 E111 L113 L115 A118A85-I109 HydrophobicContact CB-CD1 4Å; M87-I109 HydrophobicContact CB-CG1 4.5Å; I109-E111 PolarHBondContact O-N 2.85Å; I109-L113 HydrophobicContact CG2-CB 4.28Å; I109-L115 HydrophobicContact CD1-CD2 3.25Å; I109-L115 HydrophobicContact CD1-CG 4.14Å; I109-A118 HydrophobicContact CB-CB 4.45Å; I109-A118 HydrophobicContact CD1-CB 3.91Å; I109-A118 HydrophobicContact CG1-CB 3.88Å; I109-A118 HydrophobicContact CG2-CB 3.92Å
110P97.9Very high98.1Very high10 Ų1033 Ų337%0.06520%0.196CC..PPolyproline II helixtrans-56.8136.8176.1-24.333.7000111.6P108 G112 L113 I121 L286 F289 S290P108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-G112 PolarHBondContact O-N 3.01Å; P110-L113 HydrophobicContact CB-CD1 3.89Å; P110-L113 HydrophobicContact CB-CG 4.18Å; P110-L113 HydrophobicContact CG-CD1 3.9Å; P110-L113 WeakPolarHBondContact O-CB 3.5Å; P110-L113 PolarHBondContact O-N 3.16Å; P110-L113 VanDerWaalsContact O-N 3.11Å; P110-I121 HydrophobicContact CG-CD1 4.47Å; P110-L286 HydrophobicContact CG-CD1 3.72Å; P110-L286 HydrophobicContact CG-CG 4.43Å; P110-F289 HydrophobicContact CB-CB 3.59Å; P110-F289 HydrophobicContact CG-CB 3.5Å; P110-F289 HydrophobicContact CG-CG 4.09Å; P110-S290 WeakPolarHBondContact CA-OG 3.44Å; P110-S290 WeakPolarHBondContact CB-OG 3.43Å
111E95.4Very high98.1Very high173 Ų17331 Ų3181%0.80818%0.184SC*.THydrogen-bonded Turntrans-54.3135.6178.5-172175.8-174.400111I109 L113 S290I109-E111 PolarHBondContact O-N 2.85Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 2.96Å; E111-S290 PolarHBondContact N-OG 3.29Å; E111-S290 PolarHBondContact O-OG 3.03Å; E111-S290 VanDerWaalsContact O-OG 3.04Å
112G94.8Very high98.2Very high68 Ų6831 Ų3170%0.70118%0.184SC*.THydrogen-bonded Turntrans83.4-5.2-178.800000115.3P110P110-G112 PolarHBondContact O-N 3.01Å
113L98.1Very high98.2Very high23 Ų2331 Ų3112%0.1218%0.182CC..  trans-90.3140.2171.8-62.9-170.9000111.9I109 P110 E111 Q117 I121 F289 P299I109-L113 HydrophobicContact CG2-CB 4.28Å; P110-L113 HydrophobicContact CB-CD1 3.89Å; P110-L113 HydrophobicContact CB-CG 4.18Å; P110-L113 HydrophobicContact CG-CD1 3.9Å; P110-L113 WeakPolarHBondContact O-CB 3.5Å; P110-L113 PolarHBondContact O-N 3.16Å; P110-L113 VanDerWaalsContact O-N 3.11Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 2.96Å; L113-Q117 HydrophobicContact CB-CB 4.31Å; L113-Q117 HydrophobicContact CD2-CB 4.45Å; L113-I121 HydrophobicContact CD1-CD1 3.79Å; L113-F289 HydrophobicContact CD1-CB 4.32Å; L113-F289 HydrophobicContact CD1-CD1 4.25Å; L113-P299 HydrophobicContact CD1-CG 4.16Å; L113-P299 HydrophobicContact CD2-CG 4.41Å
114T98.6Very high98.2Very high73 Ų7330.1 Ų30.145%0.44818%0.178SC..  trans-75.9160.1170.469.80000110.9Q117 A118T114-Q117 WeakPolarHBondContact O-CB 3.48Å; T114-Q117 PolarHBondContact O-N 2.95Å; T114-Q117 VanDerWaalsContact O-N 3.08Å; T114-Q117 WeakPolarHBondContact OG1-CG 3.36Å; T114-Q117 PolarHBondContact OG1-N 3.24Å; T114-Q117 PolarHBondContact OG1-OE1 3.09Å; T114-A118 PolarHBondContact O-N 3.28Å
115L98.7Very high98.3Very high41 Ų4128.8 Ų28.822%0.21517%0.168CC..Hα-helixtrans-55-47.6173.9-75.1156.6000112.2A35 S66 I109 Q117 A118 A119A35-L115 HydrophobicContact CB-CB 3.86Å; A35-L115 HydrophobicContact CB-CD1 3.7Å; A35-L115 HydrophobicContact CB-CD2 4.15Å; A35-L115 HydrophobicContact CB-CG 4.13Å; S66-L115 WeakPolarHBondContact CB-O 3.26Å; S66-L115 VanDerWaalsContact OG-C 3.28Å; S66-L115 PolarHBondContact OG-O 3.15Å; I109-L115 HydrophobicContact CD1-CD2 3.25Å; I109-L115 HydrophobicContact CD1-CG 4.14Å; L115-Q117 VanDerWaalsContact C-N 3.31Å; L115-Q117 PolarHBondContact O-N 3.12Å; L115-A118 WeakPolarHBondContact O-CB 3.47Å; L115-A118 PolarHBondContact O-N 3.12Å; L115-A118 VanDerWaalsContact O-N 3.14Å; L115-A119 PolarHBondContact O-N 3.36Å
116P98.6Very high98.3Very high18 Ų1828.7 Ų28.712%0.11717%0.168CC..Hα-helixtrans-56.9-39.1172.6-28.435.9000114.3A36 A119 I304 V327 E329A36-P116 HydrophobicContact CB-CB 4.42Å; A36-P116 HydrophobicContact CB-CG 4.4Å; P116-A119 PolarHBondContact O-N 3.48Å; P116-I304 HydrophobicContact CB-CD1 4.05Å; P116-V327 HydrophobicContact CB-CG1 4.03Å; P116-E329 HydrophobicContact CG-CG 4.21Å; P116-E329 WeakPolarHBondContact CG-OE1 3.37Å
117Q98.7Very high98.4Very high65 Ų6528.6 Ų28.630%0.30417%0.168SC..Hα-helixtrans-65.6-41.4175.4-73.6172.1-38.100111.7L113 T114 L115 A119 A120 P299 L301L113-Q117 HydrophobicContact CB-CB 4.31Å; L113-Q117 HydrophobicContact CD2-CB 4.45Å; T114-Q117 WeakPolarHBondContact O-CB 3.48Å; T114-Q117 PolarHBondContact O-N 2.95Å; T114-Q117 VanDerWaalsContact O-N 3.08Å; T114-Q117 WeakPolarHBondContact OG1-CG 3.36Å; T114-Q117 PolarHBondContact OG1-N 3.24Å; T114-Q117 PolarHBondContact OG1-OE1 3.09Å; L115-Q117 VanDerWaalsContact C-N 3.31Å; L115-Q117 PolarHBondContact O-N 3.12Å; Q117-A119 VanDerWaalsContact C-N 3.31Å; Q117-A119 PolarHBondContact O-N 3.11Å; Q117-A120 WeakPolarHBondContact O-CB 3.35Å; Q117-A120 PolarHBondContact O-N 3.27Å; Q117-P299 HydrophobicContact CB-CG 4.3Å; Q117-L301 HydrophobicContact CG-CD1 4.33Å; Q117-L301 HydrophobicContact CG-CD2 4.15Å
118A98.8Very high98.4Very high0 Ų028.6 Ų28.60%017%0.168CC..Hα-helixtrans-64.6-34176.100000112.5M87 I109 T114 L115 A120 I121 P122M87-A118 HydrophobicContact CB-CB 4.41Å; M87-A118 HydrophobicContact SD-CB 3.97Å; I109-A118 HydrophobicContact CB-CB 4.45Å; I109-A118 HydrophobicContact CD1-CB 3.91Å; I109-A118 HydrophobicContact CG1-CB 3.88Å; I109-A118 HydrophobicContact CG2-CB 3.92Å; T114-A118 PolarHBondContact O-N 3.28Å; L115-A118 WeakPolarHBondContact O-CB 3.47Å; L115-A118 PolarHBondContact O-N 3.12Å; L115-A118 VanDerWaalsContact O-N 3.14Å; A118-A120 PolarHBondContact O-N 3.46Å; A118-A120 VanDerWaalsContact O-N 3.11Å; A118-I121 WeakPolarHBondContact O-CB 3.26Å; A118-I121 PolarHBondContact O-N 3.41Å; A118-P122 VanDerWaalsContact O-CD 3.26Å; A118-P122 WeakPolarHBondContact O-CD 3.39Å
119A98.8Very high98.4Very high0 Ų025.8 Ų25.80%015%0.149CC..THydrogen-bonded Turntrans-64.4-14.1176.800000113.8A36 A38 E64 L115 P116 Q117 V327A36-A119 HydrophobicContact CB-CB 3.66Å; A38-A119 WeakPolarHBondContact CB-O 3.43Å; E64-A119 VanDerWaalsContact CD-O 3.25Å; E64-A119 WeakPolarHBondContact CG-O 3.41Å; L115-A119 PolarHBondContact O-N 3.36Å; P116-A119 PolarHBondContact O-N 3.48Å; Q117-A119 VanDerWaalsContact C-N 3.31Å; Q117-A119 PolarHBondContact O-N 3.11Å; A119-V327 HydrophobicContact CB-CG1 4.3Å
120A98.8Very high98.4Very high0 Ų024.2 Ų24.20%014%0.141CC..THydrogen-bonded Turntrans-87.4-3.3175.300000113.6Q117 A118 P299 L301 K325 V327Q117-A120 WeakPolarHBondContact O-CB 3.35Å; Q117-A120 PolarHBondContact O-N 3.27Å; A118-A120 PolarHBondContact O-N 3.46Å; A118-A120 VanDerWaalsContact O-N 3.11Å; A120-P299 HydrophobicContact CB-CB 4.23Å; A120-L301 HydrophobicContact CB-CD1 3.63Å; A120-L301 HydrophobicContact CB-CG 4.18Å; A120-K325 HydrophobicContact CB-CB 3.77Å; A120-K325 HydrophobicContact CB-CG 3.84Å; A120-V327 HydrophobicContact CB-CG2 4.28Å
121I98.9Very high98.4Very high0 Ų023.7 Ų23.70%014%0.138CC..SBendtrans-89.5-59.3-171.8-59174.6000112.8M87 P110 L113 A118 E123 A124 W125 F281 F289 P299M87-I121 HydrophobicContact CE-CB 4.19Å; M87-I121 HydrophobicContact CE-CD1 4.16Å; M87-I121 HydrophobicContact CE-CG2 3.86Å; M87-I121 HydrophobicContact SD-CB 3.81Å; M87-I121 HydrophobicContact SD-CD1 3.95Å; M87-I121 HydrophobicContact SD-CG1 4.37Å; M87-I121 HydrophobicContact SD-CG2 4.15Å; P110-I121 HydrophobicContact CG-CD1 4.47Å; L113-I121 HydrophobicContact CD1-CD1 3.79Å; A118-I121 WeakPolarHBondContact O-CB 3.26Å; A118-I121 PolarHBondContact O-N 3.41Å; I121-E123 PolarHBondContact O-N 2.83Å; I121-A124 PolarHBondContact O-N 3.15Å; I121-W125 HydrophobicContact CG2-CB 4.04Å; I121-W125 HydrophobicContact CG2-CG 4.04Å; I121-W125 VanDerWaalsContact O-CB 3.23Å; I121-W125 WeakPolarHBondContact O-CB 3.4Å; I121-W125 PolarHBondContact O-N 2.84Å; I121-F281 HydrophobicContact CG2-CE1 4.24Å; I121-F281 HydrophobicContact CG2-CZ 4.04Å; I121-F289 HydrophobicContact CD1-CD1 3.85Å; I121-F289 HydrophobicContact CD1-CE1 3.7Å; I121-F289 HydrophobicContact CD1-CG 4.36Å; I121-F289 HydrophobicContact CD1-CZ 4.1Å; I121-F289 HydrophobicContact CG1-CE1 3.91Å; I121-F289 HydrophobicContact CG1-CZ 4.17Å; I121-F289 HydrophobicContact CG2-CE1 4.39Å; I121-F289 HydrophobicContact CG2-CE2 4.21Å; I121-F289 HydrophobicContact CG2-CZ 3.79Å; I121-P299 HydrophobicContact CG1-CB 4Å; I121-P299 HydrophobicContact CG1-CG 4.5Å
122P98.9Very high98.6Very high0 Ų015.5 Ų15.50%010%0.099CC..Hα-helixtrans-54.5-60.4-159.1-27.334.2000114.5E64 M87 A88 L89 M107 A118 L126E64-P122 HydrophobicContact CB-CB 3.78Å; E64-P122 HydrophobicContact CB-CG 4.02Å; E64-P122 WeakPolarHBondContact OE2-CD 3.47Å; M87-P122 HydrophobicContact CB-CG 3.99Å; M87-P122 HydrophobicContact CG-CG 4.12Å; M87-P122 HydrophobicContact SD-CG 4.29Å; A88-P122 VanDerWaalsContact O-CB 3.31Å; A88-P122 WeakPolarHBondContact O-CB 3.35Å; A88-P122 WeakPolarHBondContact O-CG 3.32Å; L89-P122 HydrophobicContact CB-CB 4.38Å; M107-P122 HydrophobicContact CE-CB 3.8Å; M107-P122 HydrophobicContact CE-CG 3.98Å; A118-P122 VanDerWaalsContact O-CD 3.26Å; A118-P122 WeakPolarHBondContact O-CD 3.39Å; P122-L126 HydrophobicContact CB-CD1 4.41Å; P122-L126 WeakPolarHBondContact O-CB 3.33Å; P122-L126 VanDerWaalsContact O-CD1 3.32Å; P122-L126 WeakPolarHBondContact O-CD1 3.29Å; P122-L126 VanDerWaalsContact O-CG 3.24Å; P122-L126 WeakPolarHBondContact O-CG 3.45Å; P122-L126 PolarHBondContact O-N 2.98Å
123E98.9Very high98.8Very high23 Ų2314.4 Ų14.411%0.1078%0.076CC..Hα-helixtrans-68.5-45.2-172.1177.262.8-162.800111.1N40 L63 E64 L89 I121 T127N40-E123 WeakPolarHBondContact OD1-CG 3.29Å; L63-E123 HydrophobicContact CB-CG 4.23Å; L63-E123 HydrophobicContact CD1-CG 4.48Å; E64-E123 HydrophobicContact CB-CB 4.23Å; E64-E123 HydrophobicContact CG-CB 4.37Å; E64-E123 WeakPolarHBondContact OE1-CB 3.37Å; E64-E123 WeakPolarHBondContact OE2-CB 3.42Å; E64-E123 PolarHBondContact OE2-N 2.64Å; L89-E123 HydrophobicContact CD1-CB 4.45Å; L89-E123 WeakPolarHBondContact CD1-OE2 3.28Å; I121-E123 PolarHBondContact O-N 2.83Å; E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 PolarHBondContact O-N 3.35Å; E123-T127 PolarHBondContact O-OG1 3.36Å
124A98.9Very high98.8Very high0 Ų016.1 Ų16.10%09%0.085CC..Hα-helixtrans-68.1-45.8-176.200000112.6I121 A128 G152I121-A124 PolarHBondContact O-N 3.15Å; A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 2.93Å; A124-G152 VanDerWaalsContact CB-C 3.49Å; A124-G152 WeakPolarHBondContact CB-O 3.25Å
125W98.9Very high98.8Very high3 Ų313.5 Ų13.51%0.0117%0.069CC..Hα-helixtrans-83.3-36.6-171.6-67.872.9000112.3I121 T127 A128 F129 A156 Q159 L160 F281 F289 L297 L298I121-W125 HydrophobicContact CG2-CB 4.04Å; I121-W125 HydrophobicContact CG2-CG 4.04Å; I121-W125 VanDerWaalsContact O-CB 3.23Å; I121-W125 WeakPolarHBondContact O-CB 3.4Å; I121-W125 PolarHBondContact O-N 2.84Å; W125-T127 VanDerWaalsContact C-N 3.31Å; W125-A128 PolarHBondContact O-N 2.8Å; W125-F129 WeakPolarHBondContact O-CB 3.36Å; W125-F129 PolarHBondContact O-N 3Å; W125-A156 HydrophobicContact CB-CB 4.39Å; W125-A156 HydrophobicContact CD2-CB 3.45Å; W125-A156 VanDerWaalsContact CD2-CB 3.45Å; W125-A156 HydrophobicContact CE3-CB 3.85Å; W125-A156 HydrophobicContact CG-CB 3.69Å; W125-A156 HydrophobicContact CZ2-CB 4.23Å; W125-A156 HydrophobicContact CZ3-CB 4.37Å; W125-Q159 HydrophobicContact CH2-CB 4.13Å; W125-Q159 HydrophobicContact CZ3-CB 4.36Å; W125-L160 HydrophobicContact CE3-CD1 4.13Å; W125-L160 HydrophobicContact CE3-CD2 4.02Å; W125-L160 HydrophobicContact CE3-CG 3.98Å; W125-L160 HydrophobicContact CZ3-CD2 3.93Å; W125-L160 HydrophobicContact CZ3-CG 4.01Å; W125-F281 HydrophobicContact CB-CE2 3.69Å; W125-F281 HydrophobicContact CB-CZ 3.66Å; W125-F289 HydrophobicContact CD2-CE1 4.1Å; W125-F289 HydrophobicContact CD2-CE2 4.45Å; W125-F289 AromaticContact CD2-CZ 3.44Å; W125-F289 HydrophobicContact CD2-CZ 3.44Å; W125-F289 VanDerWaalsContact CD2-CZ 3.44Å; W125-F289 AromaticContact CE2-CE1 3.81Å; W125-F289 AromaticContact CE2-CZ 3.66Å; W125-F289 HydrophobicContact CE3-CE1 4.31Å; W125-F289 HydrophobicContact CE3-CE2 4.21Å; W125-F289 AromaticContact CE3-CZ 3.5Å; W125-F289 HydrophobicContact CE3-CZ 3.5Å; W125-F289 VanDerWaalsContact CE3-CZ 3.5Å; W125-F289 AromaticContact CG-CZ 4Å; W125-F289 HydrophobicContact CG-CZ 4Å; W125-F289 AromaticContact CH2-CE1 3.97Å; W125-F289 HydrophobicContact CH2-CE1 3.97Å; W125-F289 AromaticContact CH2-CZ 3.96Å; W125-F289 HydrophobicContact CH2-CZ 3.96Å; W125-F289 AromaticContact CZ2-CE1 3.74Å; W125-F289 HydrophobicContact CZ2-CE1 3.74Å; W125-F289 AromaticContact CZ2-CZ 3.91Å; W125-F289 HydrophobicContact CZ2-CZ 3.91Å; W125-F289 HydrophobicContact CZ3-CE1 4.26Å; W125-F289 HydrophobicContact CZ3-CE2 4.49Å; W125-F289 AromaticContact CZ3-CZ 3.78Å; W125-F289 HydrophobicContact CZ3-CZ 3.78Å; W125-L297 HydrophobicContact CE3-CD1 4.39Å; W125-L297 HydrophobicContact CH2-CB 3.74Å; W125-L297 HydrophobicContact CH2-CD1 4.49Å; W125-L297 HydrophobicContact CH2-CD2 4.18Å; W125-L297 HydrophobicContact CH2-CG 4.34Å; W125-L297 HydrophobicContact CZ3-CB 3.85Å; W125-L297 HydrophobicContact CZ3-CD1 3.75Å; W125-L297 HydrophobicContact CZ3-CD2 3.87Å; W125-L297 HydrophobicContact CZ3-CG 4.02Å; W125-L298 WeakPolarHBondContact CZ2-O 3.33Å
126L98.9Very high98.8Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-64.9-39.5171.7-70.1163.9000110.8L89 M107 P122 Q130 L266 L277 V278 F281L89-L126 HydrophobicContact CB-CD1 3.68Å; L89-L126 HydrophobicContact CD1-CD1 4.38Å; L89-L126 HydrophobicContact CD2-CD1 3.94Å; L89-L126 HydrophobicContact CG-CD1 4.21Å; M107-L126 HydrophobicContact CE-CD1 3.74Å; M107-L126 HydrophobicContact SD-CD1 4.14Å; M107-L126 HydrophobicContact SD-CD2 4.45Å; P122-L126 HydrophobicContact CB-CD1 4.41Å; P122-L126 WeakPolarHBondContact O-CB 3.33Å; P122-L126 VanDerWaalsContact O-CD1 3.32Å; P122-L126 WeakPolarHBondContact O-CD1 3.29Å; P122-L126 VanDerWaalsContact O-CG 3.24Å; P122-L126 WeakPolarHBondContact O-CG 3.45Å; P122-L126 PolarHBondContact O-N 2.98Å; L126-Q130 WeakPolarHBondContact O-CB 3.27Å; L126-Q130 PolarHBondContact O-N 2.78Å; L126-L266 HydrophobicContact CB-CD2 4.32Å; L126-L277 HydrophobicContact CB-CD2 4.11Å; L126-L277 HydrophobicContact CD2-CD2 4.43Å; L126-L277 HydrophobicContact CD2-CG 4.06Å; L126-V278 HydrophobicContact CD1-CG2 3.9Å; L126-V278 HydrophobicContact CD2-CG2 4.14Å; L126-F281 HydrophobicContact CD2-CB 3.36Å; L126-F281 HydrophobicContact CD2-CD1 3.83Å; L126-F281 HydrophobicContact CD2-CD2 3.85Å; L126-F281 HydrophobicContact CD2-CG 3.4Å; L126-F281 VanDerWaalsContact CD2-CG 3.4Å; L126-F281 HydrophobicContact CG-CD1 4.45Å; L126-F281 HydrophobicContact CG-CD2 4.44Å; L126-F281 HydrophobicContact CG-CG 4.27Å
127T98.9Very high98.9Very high9 Ų915.2 Ų15.26%0.0558%0.077CC..Hα-helixtrans-64.3-51.2173.3-61.70000110.8E123 W125 F129 Q130 L131 V153 Y238 L266E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 PolarHBondContact O-N 3.35Å; E123-T127 PolarHBondContact O-OG1 3.36Å; W125-T127 VanDerWaalsContact C-N 3.31Å; T127-F129 VanDerWaalsContact C-N 3.29Å; T127-F129 PolarHBondContact O-N 3.37Å; T127-Q130 WeakPolarHBondContact O-CB 3.31Å; T127-Q130 PolarHBondContact O-N 3.04Å; T127-L131 HydrophobicContact CG2-CD1 3.74Å; T127-L131 HydrophobicContact CG2-CG 4.08Å; T127-L131 WeakPolarHBondContact O-CB 3.18Å; T127-L131 WeakPolarHBondContact O-CG 3.33Å; T127-L131 PolarHBondContact O-N 3.27Å; T127-V153 HydrophobicContact CG2-CG1 4.17Å; T127-V153 HydrophobicContact CG2-CG2 4.04Å; T127-Y238 HydrophobicContact CG2-CD2 4.39Å; T127-Y238 HydrophobicContact CG2-CE2 4.49Å; T127-L266 WeakPolarHBondContact OG1-CD2 3.48Å
128A98.9Very high98.9Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-57.3-43.1178.100000112.2A124 W125 L131 L132 V153 A156 A157 L160A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 2.93Å; W125-A128 PolarHBondContact O-N 2.8Å; A128-L131 PolarHBondContact O-N 3.05Å; A128-L132 WeakPolarHBondContact O-CB 3.43Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.44Å; A128-L132 PolarHBondContact O-N 2.97Å; A128-V153 HydrophobicContact CB-CG1 4.22Å; A128-A156 HydrophobicContact CB-CB 3.79Å; A128-A157 HydrophobicContact CB-CB 4.04Å; A128-L160 HydrophobicContact CB-CD1 3.93Å
129F98.9Very high98.9Very high1 Ų118.1 Ų18.10%0.0049%0.092CC..Hα-helixtrans-62.8-46.9175.8175.2-111.2000112.1W125 T127 L131 L132 H133 L134 L160 L277 A280 F281 I285W125-F129 WeakPolarHBondContact O-CB 3.36Å; W125-F129 PolarHBondContact O-N 3Å; T127-F129 VanDerWaalsContact C-N 3.29Å; T127-F129 PolarHBondContact O-N 3.37Å; F129-L131 PolarHBondContact O-N 3.33Å; F129-L132 PolarHBondContact O-N 3.42Å; F129-H133 HydrophobicContact CD2-CB 4.3Å; F129-H133 AromaticContact CD2-CE1 3.86Å; F129-H133 AromaticContact CD2-CG 3.86Å; F129-H133 AromaticContact CD2-ND1 3.3Å; F129-H133 VanDerWaalsContact CD2-ND1 3.3Å; F129-H133 WeakPolarHBondContact CD2-ND1 3.32Å; F129-H133 HydrophobicContact CE2-CB 4.01Å; F129-H133 AromaticContact CE2-CG 3.74Å; F129-H133 AromaticContact CE2-ND1 3.66Å; F129-H133 HydrophobicContact CZ-CB 4.49Å; F129-H133 PolarHBondContact O-N 3.34Å; F129-H133 PolarHBondContact O-ND1 3.31Å; F129-L134 HydrophobicContact CD1-CD1 4.32Å; F129-L134 HydrophobicContact CE1-CD1 3.71Å; F129-L134 HydrophobicContact CZ-CD1 3.91Å; F129-L160 HydrophobicContact CB-CD1 4.02Å; F129-L277 HydrophobicContact CD1-CD1 3.64Å; F129-L277 HydrophobicContact CE1-CD1 3.99Å; F129-A280 HydrophobicContact CE1-CB 3.9Å; F129-A280 HydrophobicContact CZ-CB 4.07Å; F129-F281 HydrophobicContact CB-CD2 3.87Å; F129-F281 HydrophobicContact CB-CE2 4.35Å; F129-F281 HydrophobicContact CD1-CB 4.08Å; F129-F281 HydrophobicContact CD1-CD2 4.11Å; F129-F281 HydrophobicContact CE1-CB 4.26Å; F129-F281 AromaticContact CG-CD2 3.98Å; F129-F281 HydrophobicContact CG-CD2 3.98Å; F129-I285 HydrophobicContact CD2-CD1 3.63Å; F129-I285 HydrophobicContact CD2-CG1 3.51Å; F129-I285 HydrophobicContact CE2-CD1 3.75Å; F129-I285 HydrophobicContact CE2-CG1 3.72Å; F129-I285 HydrophobicContact CG-CG1 4.11Å; F129-I285 HydrophobicContact CZ-CG1 4.46Å
130Q98.9Very high98.9Very high1 Ų121.9 Ų21.91%0.00512%0.123CC..Iπ-helixtrans-54.8-52.8175.2-177.9-166.843.800110.9L126 T127 L132 L134 V135 S264 Y273 L277L126-Q130 WeakPolarHBondContact O-CB 3.27Å; L126-Q130 PolarHBondContact O-N 2.78Å; T127-Q130 WeakPolarHBondContact O-CB 3.31Å; T127-Q130 PolarHBondContact O-N 3.04Å; Q130-L132 PolarHBondContact O-N 3.17Å; Q130-L134 PolarHBondContact O-N 3.43Å; Q130-L134 VanDerWaalsContact O-N 3.17Å; Q130-V135 HydrophobicContact CG-CG2 3.98Å; Q130-V135 WeakPolarHBondContact O-CG2 3.42Å; Q130-V135 PolarHBondContact O-N 3.12Å; Q130-S264 PolarHBondContact OE1-OG 3.1Å; Q130-Y273 WeakPolarHBondContact CG-OH 3.29Å; Q130-Y273 PolarHBondContact NE2-OH 3.49Å; Q130-L277 HydrophobicContact CB-CD1 3.87Å; Q130-L277 HydrophobicContact CB-CD2 4.25Å; Q130-L277 HydrophobicContact CG-CD1 4.41Å
131L98.9Very high98.8Very high0 Ų024 Ų240%014%0.144CC..Iπ-helixtrans-64.5-40.5-175.8-63.2174.9000111.9T127 A128 F129 G136 V153 L214 V236 Y238T127-L131 HydrophobicContact CG2-CD1 3.74Å; T127-L131 HydrophobicContact CG2-CG 4.08Å; T127-L131 WeakPolarHBondContact O-CB 3.18Å; T127-L131 WeakPolarHBondContact O-CG 3.33Å; T127-L131 PolarHBondContact O-N 3.27Å; A128-L131 PolarHBondContact O-N 3.05Å; F129-L131 PolarHBondContact O-N 3.33Å; L131-G136 VanDerWaalsContact O-CA 3.28Å; L131-G136 WeakPolarHBondContact O-CA 3.2Å; L131-G136 PolarHBondContact O-N 3.34Å; L131-V153 HydrophobicContact CD1-CG1 4.2Å; L131-L214 HydrophobicContact CB-CD1 4.48Å; L131-L214 HydrophobicContact CB-CD2 3.95Å; L131-V236 HydrophobicContact CB-CG1 4.41Å; L131-V236 HydrophobicContact CD2-CG1 3.55Å; L131-Y238 HydrophobicContact CD1-CD1 3.58Å; L131-Y238 HydrophobicContact CD1-CD2 3.74Å; L131-Y238 HydrophobicContact CD1-CE1 3.67Å; L131-Y238 HydrophobicContact CD1-CE2 3.83Å; L131-Y238 HydrophobicContact CD1-CG 3.6Å; L131-Y238 HydrophobicContact CD2-CD1 4.26Å; L131-Y238 HydrophobicContact CD2-CG 3.98Å; L131-Y238 HydrophobicContact CG-CG 4.46Å
132L98.9Very high98.8Very high0 Ų024.7 Ų24.70%015%0.148CC..Iπ-helixtrans-74.1-52.6-178.8-75.5168.5000112.4A128 F129 Q130 G136 N137 V138 V144 A157 L160 L212 L214A128-L132 WeakPolarHBondContact O-CB 3.43Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.44Å; A128-L132 PolarHBondContact O-N 2.97Å; F129-L132 PolarHBondContact O-N 3.42Å; Q130-L132 PolarHBondContact O-N 3.17Å; L132-G136 CarbonylContact O-C 3.58Å; L132-N137 PolarHBondContact O-N 3.06Å; L132-V138 HydrophobicContact CB-CG1 4.07Å; L132-V138 HydrophobicContact CD2-CB 4.43Å; L132-V138 WeakPolarHBondContact O-CB 3.18Å; L132-V138 WeakPolarHBondContact O-CG1 3.48Å; L132-V138 PolarHBondContact O-N 2.86Å; L132-V144 HydrophobicContact CD2-CG1 4.12Å; L132-A157 HydrophobicContact CD1-CB 4.48Å; L132-L160 HydrophobicContact CD1-CB 3.54Å; L132-L160 HydrophobicContact CD1-CD1 4.49Å; L132-L212 HydrophobicContact CD2-CD2 3.98Å; L132-L214 HydrophobicContact CD2-CD1 3.93Å; L132-L214 HydrophobicContact CG-CD1 4.1Å
133H98.8Very high98.8Very high46 Ų4627.7 Ų27.721%0.21316%0.16CC..Iπ-helixtrans-96.4-51.3-165.5-61.282.3000112.2F129 N137F129-H133 HydrophobicContact CD2-CB 4.3Å; F129-H133 AromaticContact CD2-CE1 3.86Å; F129-H133 AromaticContact CD2-CG 3.86Å; F129-H133 AromaticContact CD2-ND1 3.3Å; F129-H133 VanDerWaalsContact CD2-ND1 3.3Å; F129-H133 WeakPolarHBondContact CD2-ND1 3.32Å; F129-H133 HydrophobicContact CE2-CB 4.01Å; F129-H133 AromaticContact CE2-CG 3.74Å; F129-H133 AromaticContact CE2-ND1 3.66Å; F129-H133 HydrophobicContact CZ-CB 4.49Å; F129-H133 PolarHBondContact O-N 3.34Å; F129-H133 PolarHBondContact O-ND1 3.31Å; H133-N137 WeakPolarHBondContact O-CA 3.17Å; H133-N137 PolarHBondContact O-N 3.16Å
134L98.7Very high98.9Very high59 Ų5926.6 Ų26.631%0.30916%0.155SC..Iπ-helixtrans-80.2-32.7-173.2-80.365.1000112.5F129 Q130 M276 L277F129-L134 HydrophobicContact CD1-CD1 4.32Å; F129-L134 HydrophobicContact CE1-CD1 3.71Å; F129-L134 HydrophobicContact CZ-CD1 3.91Å; Q130-L134 PolarHBondContact O-N 3.43Å; Q130-L134 VanDerWaalsContact O-N 3.17Å; L134-M276 HydrophobicContact CD2-CE 3.82Å; L134-M276 HydrophobicContact CD2-SD 3.88Å; L134-L277 HydrophobicContact CD2-CD1 3.82Å
135V98.8Very high98.9Very high17 Ų1726.6 Ų26.610%0.10316%0.155CC..Iπ-helixtrans-104.4-47.7-175.2179.80000111.6Q130 N137 V236 I262Q130-V135 HydrophobicContact CG-CG2 3.98Å; Q130-V135 WeakPolarHBondContact O-CG2 3.42Å; Q130-V135 PolarHBondContact O-N 3.12Å; V135-N137 PolarHBondContact O-OD1 3.12Å; V135-V236 HydrophobicContact CG1-CG1 3.7Å; V135-V236 HydrophobicContact CG1-CG2 3.99Å; V135-I262 HydrophobicContact CG1-CB 4.31Å; V135-I262 HydrophobicContact CG1-CG2 3.52Å
136G98.8Very high98.9Very high0 Ų026.4 Ų26.40%015%0.154CC..SBendtrans-88.5-11.9-176.500000114.6L131 L132 V138 R234L131-G136 VanDerWaalsContact O-CA 3.28Å; L131-G136 WeakPolarHBondContact O-CA 3.2Å; L131-G136 PolarHBondContact O-N 3.34Å; L132-G136 CarbonylContact O-C 3.58Å; G136-V138 VanDerWaalsContact C-N 3.26Å; G136-V138 PolarHBondContact O-N 2.9Å; G136-R234 PolarHBondContact O-NE 3.11Å; G136-R234 PolarHBondContact O-NH2 3.28Å
137N98.8Very high98.9Very high95 Ų9526.4 Ų26.451%0.50815%0.154SC..  trans45.647.2-178.2-64.987.4000112.9L132 H133 V135 Q139 R234L132-N137 PolarHBondContact O-N 3.06Å; H133-N137 WeakPolarHBondContact O-CA 3.17Å; H133-N137 PolarHBondContact O-N 3.16Å; V135-N137 PolarHBondContact O-OD1 3.12Å; N137-Q139 PolarHBondContact O-N 3.15Å; N137-Q139 PolarHBondContact O-NE2 3.47Å; N137-R234 PolarHBondContact O-NH2 3.33Å; N137-R234 VanDerWaalsContact O-NH2 3.17Å
138V98.8Very high98.8Very high13 Ų1327.2 Ų27.28%0.07916%0.162CC..  trans-50.9134-17967.70000111.4L132 G136 D142 V144 A164 A166 L212L132-V138 HydrophobicContact CB-CG1 4.07Å; L132-V138 HydrophobicContact CD2-CB 4.43Å; L132-V138 WeakPolarHBondContact O-CB 3.18Å; L132-V138 WeakPolarHBondContact O-CG1 3.48Å; L132-V138 PolarHBondContact O-N 2.86Å; G136-V138 VanDerWaalsContact C-N 3.26Å; G136-V138 PolarHBondContact O-N 2.9Å; V138-D142 HydrophobicContact CG2-CB 4.4Å; V138-V144 HydrophobicContact CG2-CG2 4.04Å; V138-A164 HydrophobicContact CG1-CB 3.91Å; V138-A164 HydrophobicContact CG2-CB 4.43Å; V138-A166 HydrophobicContact CG2-CB 3.66Å; V138-L212 HydrophobicContact CB-CD2 4.15Å; V138-L212 HydrophobicContact CG2-CD2 4.47Å
139Q98.8Very high98.7Very high114 Ų11427.2 Ų27.253%0.53316%0.162SC..  trans-113.2153174.8-57.5-56.6-59.600110.3N137 G141 D142N137-Q139 PolarHBondContact O-N 3.15Å; N137-Q139 PolarHBondContact O-NE2 3.47Å; Q139-G141 PolarHBondContact O-N 3.38Å; Q139-D142 PolarHBondContact N-OD2 2.91Å; Q139-D142 VanDerWaalsContact O-CB 3.28Å; Q139-D142 WeakPolarHBondContact O-CB 3.26Å; Q139-D142 PolarHBondContact O-N 3.12Å
140A98.8Very high98.7Very high79 Ų7927.3 Ų27.365%0.65316%0.162SC*.THydrogen-bonded Turntrans-57.4134.8170.300000110.1D142 A164A140-D142 VanDerWaalsContact C-N 3.33Å; A140-A164 WeakPolarHBondContact CA-O 3.5Å
141G98.6Very high98.6Very high44 Ų4428.8 Ų28.845%0.45417%0.173SC..THydrogen-bonded Turntrans84.9-9.1-175.100000115.6Q139 G165Q139-G141 PolarHBondContact O-N 3.38Å; G141-G165 PolarHBondContact N-O 2.9Å
142D98.9Very high98.6Very high15 Ų1529.4 Ų29.48%0.0818%0.179CC..  trans-60.8138.8174-85.1-21.2000111V138 Q139 A140 V144 A166 I167 N211 R234V138-D142 HydrophobicContact CG2-CB 4.4Å; Q139-D142 PolarHBondContact N-OD2 2.91Å; Q139-D142 VanDerWaalsContact O-CB 3.28Å; Q139-D142 WeakPolarHBondContact O-CB 3.26Å; Q139-D142 PolarHBondContact O-N 3.12Å; A140-D142 VanDerWaalsContact C-N 3.33Å; D142-V144 HydrophobicContact CB-CG2 4.33Å; D142-A166 HydrophobicContact CB-CB 4.31Å; D142-A166 WeakPolarHBondContact O-CB 3.35Å; D142-I167 PolarHBondContact O-N 3.47Å; D142-N211 HydrophobicContact CB-CB 3.91Å; D142-N211 WeakPolarHBondContact OD1-CB 3.28Å; D142-N211 VanDerWaalsContact OD1-CG 3.31Å; D142-R234 IonicContact OD1-NH1 3.99Å; D142-R234 IonicContact OD2-CZ 3.57Å; D142-R234 IonicContact OD2-NH1 2.59Å; D142-R234 PolarHBondContact OD2-NH1 3.26Å; D142-R234 IonicContact OD2-NH2 3.43Å; D142-R234 PolarHBondContact OD2-NH2 3.16Å
143Y98.9Very high98.6Very high62 Ų6230.4 Ų30.424%0.24319%0.185CC..EExtended strand (participates in β ladder)trans-82.8122.2162.9-65.2-75.4000109.6I167 F204 T205 N211 L212Y143-I167 HydrophobicContact CD1-CB 3.87Å; Y143-I167 HydrophobicContact CD1-CD1 3.91Å; Y143-I167 HydrophobicContact CD1-CG1 4.48Å; Y143-I167 HydrophobicContact CD1-CG2 3.9Å; Y143-I167 HydrophobicContact CE1-CB 4.26Å; Y143-I167 HydrophobicContact CE1-CD1 3.51Å; Y143-I167 HydrophobicContact CE1-CG1 4.48Å; Y143-I167 HydrophobicContact CE1-CG2 4.08Å; Y143-F204 HydrophobicContact CD1-CD1 4.36Å; Y143-F204 HydrophobicContact CD1-CE1 4.18Å; Y143-F204 HydrophobicContact CE1-CD1 4.15Å; Y143-F204 AromaticContact CE1-CE1 3.84Å; Y143-F204 HydrophobicContact CE1-CE1 3.84Å; Y143-T205 HydrophobicContact CD1-CG2 3.87Å; Y143-T205 HydrophobicContact CD2-CG2 3.91Å; Y143-T205 HydrophobicContact CE1-CG2 4.25Å; Y143-T205 HydrophobicContact CE2-CG2 4.29Å; Y143-T205 HydrophobicContact CG-CG2 3.68Å; Y143-N211 PolarHBondContact N-OD1 2.87Å; Y143-N211 PolarHBondContact O-N 3.35Å; Y143-L212 PolarHBondContact O-N 3.31Å; Y143-L212 VanDerWaalsContact O-N 3.15Å
144V98.9Very high98.6Very high0 Ų028.2 Ų28.20%018%0.175CC..EExtended strand (participates in β ladder)trans-116.6115.5-177-172.90000110L132 V138 D142 I146 T161 A166 I167 L169 L212 L214L132-V144 HydrophobicContact CD2-CG1 4.12Å; V138-V144 HydrophobicContact CG2-CG2 4.04Å; D142-V144 HydrophobicContact CB-CG2 4.33Å; V144-I146 HydrophobicContact CG1-CG1 3.99Å; V144-T161 HydrophobicContact CB-CG2 3.83Å; V144-T161 HydrophobicContact CG1-CG2 4.5Å; V144-T161 HydrophobicContact CG2-CG2 3.65Å; V144-A166 HydrophobicContact CG2-CB 4.06Å; V144-I167 PolarHBondContact N-O 3.37Å; V144-L169 PolarHBondContact O-N 2.85Å; V144-L212 CarbonylContact C-O 3.51Å; V144-L212 VanDerWaalsContact CA-O 3.29Å; V144-L212 WeakPolarHBondContact CA-O 3.12Å; V144-L212 HydrophobicContact CG1-CB 4.21Å; V144-L212 HydrophobicContact CG1-CD2 4.08Å; V144-L212 HydrophobicContact CG1-CG 4.13Å; V144-L212 HydrophobicContact CG2-CB 4.18Å; V144-L212 HydrophobicContact CG2-CD2 4.32Å; V144-L214 HydrophobicContact CG1-CG 4.29Å
145L98.9Very high98.6Very high0 Ų025.5 Ų25.50%016%0.161CC..EExtended strand (participates in β ladder)trans-89117.2173.9-174.960000110.3L169 T171 F190 F197 V210 L212 I213 L214L145-L169 CarbonylContact C-O 3.54Å; L145-L169 WeakPolarHBondContact CA-O 3.4Å; L145-L169 HydrophobicContact CD1-CB 4.07Å; L145-T171 HydrophobicContact CD1-CG2 4.06Å; L145-F190 HydrophobicContact CD1-CE2 4.48Å; L145-F197 HydrophobicContact CD2-CD2 4.1Å; L145-F197 HydrophobicContact CD2-CE2 4.14Å; L145-V210 HydrophobicContact CB-CB 4.33Å; L145-V210 HydrophobicContact CB-CG1 4.08Å; L145-V210 HydrophobicContact CB-CG2 4.02Å; L145-V210 HydrophobicContact CD2-CG2 4.45Å; L145-L212 PolarHBondContact N-O 3.31Å; L145-I213 HydrophobicContact CB-CG1 4.25Å; L145-I213 CarbonylContact O-C 3.53Å; L145-I213 WeakPolarHBondContact O-CA 3.35Å; L145-L214 PolarHBondContact O-N 3.35Å
146I98.9Very high98.6Very high0 Ų024.7 Ų24.70%016%0.156CC..EExtended strand (participates in β ladder)trans-110.5106.8-177.1-52.2172.6000108.7V144 A157 I158 P168 L169 V170 T171 L214V144-I146 HydrophobicContact CG1-CG1 3.99Å; I146-A157 HydrophobicContact CD1-CB 3.96Å; I146-A157 HydrophobicContact CG2-CB 4.12Å; I146-I158 HydrophobicContact CD1-CG1 3.95Å; I146-P168 HydrophobicContact CD1-CB 3.87Å; I146-L169 PolarHBondContact N-O 2.82Å; I146-V170 HydrophobicContact CB-CG1 4.43Å; I146-V170 WeakPolarHBondContact O-CA 3.48Å; I146-T171 PolarHBondContact O-N 3.2Å; I146-L214 HydrophobicContact CG1-CD1 4.41Å
147H98.9Very high98.6Very high0 Ų024.8 Ų24.80%016%0.156CC..THydrogen-bonded Turntrans-78.1152.2173.4-65.5-49.6000112G149 T171 F197 L214 D215 I217 Y221 N225H147-G149 PolarHBondContact O-N 2.91Å; H147-T171 WeakPolarHBondContact ND1-CG2 3.44Å; H147-T171 PolarHBondContact ND1-OG1 2.99Å; H147-F197 AromaticContact CE1-CD2 3.88Å; H147-F197 AromaticContact CE1-CE2 3.5Å; H147-F197 VanDerWaalsContact CE1-CE2 3.5Å; H147-F197 WeakPolarHBondContact CE1-CE2 3.23Å; H147-F197 AromaticContact CE1-CZ 3.73Å; H147-F197 AromaticContact NE2-CE2 3.99Å; H147-L214 PolarHBondContact N-O 2.93Å; H147-L214 VanDerWaalsContact N-O 3.14Å; H147-D215 IonicContact CD2-OD1 3.53Å; H147-I217 HydrophobicContact CB-CG1 3.92Å; H147-Y221 HydrophobicContact CB-CE2 4.42Å; H147-Y221 AromaticContact CD2-CD2 3.93Å; H147-Y221 AromaticContact CE1-CD2 3.69Å; H147-Y221 AromaticContact CE1-CE2 3.88Å; H147-Y221 AromaticContact CG-CD2 3.84Å; H147-Y221 AromaticContact CG-CE2 3.89Å; H147-Y221 AromaticContact ND1-CD2 3.71Å; H147-Y221 AromaticContact ND1-CE2 3.53Å; H147-Y221 AromaticContact NE2-CD2 3.85Å; H147-N225 PolarHBondContact NE2-OD1 2.93Å
148A97.9Very high98.6Very high26 Ų2620.2 Ų20.222%0.21513%0.132CC..THydrogen-bonded Turntrans48.447.8-171.600000111.6L150 S151 T171A148-L150 PolarHBondContact O-N 2.87Å; A148-S151 VanDerWaalsContact O-CB 3.24Å; A148-S151 WeakPolarHBondContact O-CB 3.29Å; A148-S151 PolarHBondContact O-N 3.34Å; A148-S151 PolarHBondContact O-OG 3.41Å; A148-T171 PolarHBondContact N-O 2.82Å
149G97.2Very high98.6Very high0 Ų020.3 Ų20.30%013%0.132CC..THydrogen-bonded Turntrans-61.1-12.9-167.500000115.5H147 G154 T155 I158 T171H147-G149 PolarHBondContact O-N 2.91Å; G149-G154 CarbonylContact O-C 3.56Å; G149-G154 WeakPolarHBondContact O-CA 3.45Å; G149-T155 PolarHBondContact O-N 3.01Å; G149-T155 VanDerWaalsContact O-N 3.14Å; G149-I158 VanDerWaalsContact O-CD1 3.26Å; G149-I158 WeakPolarHBondContact O-CD1 3.39Å; G149-T171 PolarHBondContact N-O 3.5Å
150L98Very high98.6Very high3 Ų314.9 Ų14.92%0.01611%0.106CC..THydrogen-bonded Turntrans-112.121.5177-68.6-56.9000112.6A148 T155 A172 K177 M180 A181 L184 L323 G324A148-L150 PolarHBondContact O-N 2.87Å; L150-T155 HydrophobicContact CD1-CG2 3.97Å; L150-A172 HydrophobicContact CD2-CB 3.93Å; L150-K177 HydrophobicContact CB-CB 4.13Å; L150-K177 HydrophobicContact CB-CD 3.9Å; L150-K177 HydrophobicContact CD2-CB 3.9Å; L150-K177 VanDerWaalsContact CD2-O 3.29Å; L150-K177 WeakPolarHBondContact CD2-O 3.48Å; L150-K177 HydrophobicContact CG-CB 3.78Å; L150-K177 VanDerWaalsContact CG-O 3.25Å; L150-K177 WeakPolarHBondContact CG-O 3.41Å; L150-M180 HydrophobicContact CD1-CB 4.09Å; L150-M180 HydrophobicContact CD1-CG 4.05Å; L150-A181 HydrophobicContact CD1-CB 4.02Å; L150-A181 HydrophobicContact CD2-CB 3.61Å; L150-A181 HydrophobicContact CG-CB 4.36Å; L150-L184 HydrophobicContact CD1-CD1 4.11Å; L150-L323 HydrophobicContact CB-CD2 3.95Å; L150-L323 HydrophobicContact CG-CD2 4.11Å; L150-G324 PolarHBondContact O-N 3.3Å
151S98.3Very high98.6Very high32 Ų3211.1 Ų11.122%0.2248%0.075CC..SBendtrans-77.2175162.365.40000110.7A148 V153 G154 T155A148-S151 VanDerWaalsContact O-CB 3.24Å; A148-S151 WeakPolarHBondContact O-CB 3.29Å; A148-S151 PolarHBondContact O-N 3.34Å; A148-S151 PolarHBondContact O-OG 3.41Å; S151-V153 PolarHBondContact O-N 3.08Å; S151-G154 PolarHBondContact O-N 3.03Å; S151-G154 PolarHBondContact OG-N 2.9Å; S151-T155 WeakPolarHBondContact O-CG2 3.34Å; S151-T155 PolarHBondContact O-N 3.41Å; S151-T155 PolarHBondContact O-OG1 3.17Å
152G98.2Very high98.6Very high13 Ų1314.1 Ų14.113%0.1347%0.073CC..Hα-helixtrans-53.4-54.1172.300000112.3A124 T155 A156A124-G152 VanDerWaalsContact CB-C 3.49Å; A124-G152 WeakPolarHBondContact CB-O 3.25Å; G152-T155 PolarHBondContact O-OG1 2.97Å; G152-A156 PolarHBondContact O-N 2.88Å
153V98.8Very high98.6Very high21 Ų2116.5 Ų16.513%0.1278%0.084CC..Hα-helixtrans-64.3-42177.2179.10000111.3T127 A128 L131 S151 T155 A156 A157 Y238T127-V153 HydrophobicContact CG2-CG1 4.17Å; T127-V153 HydrophobicContact CG2-CG2 4.04Å; A128-V153 HydrophobicContact CB-CG1 4.22Å; L131-V153 HydrophobicContact CD1-CG1 4.2Å; S151-V153 PolarHBondContact O-N 3.08Å; V153-T155 PolarHBondContact O-N 3.34Å; V153-A156 PolarHBondContact O-N 2.7Å; V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.37Å; V153-A157 PolarHBondContact O-N 2.91Å; V153-Y238 HydrophobicContact CB-CE2 4.41Å; V153-Y238 HydrophobicContact CG1-CE2 4.01Å; V153-Y238 WeakPolarHBondContact CG1-OH 3.45Å; V153-Y238 HydrophobicContact CG2-CE2 4.38Å
154G98.8Very high98.6Very high0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-60.5-47.2-178.600000113.2G149 S151 A156 A157 I158G149-G154 CarbonylContact O-C 3.56Å; G149-G154 WeakPolarHBondContact O-CA 3.45Å; S151-G154 PolarHBondContact O-N 3.03Å; S151-G154 PolarHBondContact OG-N 2.9Å; G154-A156 VanDerWaalsContact C-N 3.3Å; G154-A156 PolarHBondContact O-N 2.82Å; G154-A157 PolarHBondContact O-N 2.95Å; G154-A157 VanDerWaalsContact O-N 3.15Å; G154-I158 WeakPolarHBondContact O-CG1 3.4Å; G154-I158 PolarHBondContact O-N 3.17Å
155T98.9Very high98.5Very high2 Ų216.9 Ų16.91%0.01210%0.104CC..Hα-helixtrans-63.5-34.9179.552.80000112.8G149 L150 S151 G152 V153 Q159 L184 V300G149-T155 PolarHBondContact O-N 3.01Å; G149-T155 VanDerWaalsContact O-N 3.14Å; L150-T155 HydrophobicContact CD1-CG2 3.97Å; S151-T155 WeakPolarHBondContact O-CG2 3.34Å; S151-T155 PolarHBondContact O-N 3.41Å; S151-T155 PolarHBondContact O-OG1 3.17Å; G152-T155 PolarHBondContact O-OG1 2.97Å; V153-T155 PolarHBondContact O-N 3.34Å; T155-Q159 PolarHBondContact O-NE2 3.02Å; T155-L184 HydrophobicContact CG2-CD1 3.73Å; T155-V300 HydrophobicContact CG2-CB 4.13Å; T155-V300 HydrophobicContact CG2-CG1 4.21Å; T155-V300 HydrophobicContact CG2-CG2 4.23Å
156A98.9Very high98.5Very high0 Ų017 Ų170%011%0.105CC..Hα-helixtrans-69.5-46.3171.100000111.4W125 A128 G152 V153 G154 I158 Q159 L160W125-A156 HydrophobicContact CB-CB 4.39Å; W125-A156 HydrophobicContact CD2-CB 3.45Å; W125-A156 VanDerWaalsContact CD2-CB 3.45Å; W125-A156 HydrophobicContact CE3-CB 3.85Å; W125-A156 HydrophobicContact CG-CB 3.69Å; W125-A156 HydrophobicContact CZ2-CB 4.23Å; W125-A156 HydrophobicContact CZ3-CB 4.37Å; A128-A156 HydrophobicContact CB-CB 3.79Å; G152-A156 PolarHBondContact O-N 2.88Å; V153-A156 PolarHBondContact O-N 2.7Å; G154-A156 VanDerWaalsContact C-N 3.3Å; G154-A156 PolarHBondContact O-N 2.82Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 3.38Å; A156-Q159 PolarHBondContact O-N 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.32Å; A156-L160 PolarHBondContact O-N 2.82Å
157A98.9Very high98.5Very high1 Ų119 Ų191%0.00812%0.115CC..Hα-helixtrans-61.5-38.4-177.100000112.8A128 L132 I146 V153 G154 Q159 T161 L214A128-A157 HydrophobicContact CB-CB 4.04Å; L132-A157 HydrophobicContact CD1-CB 4.48Å; I146-A157 HydrophobicContact CD1-CB 3.96Å; I146-A157 HydrophobicContact CG2-CB 4.12Å; V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.37Å; V153-A157 PolarHBondContact O-N 2.91Å; G154-A157 PolarHBondContact O-N 2.95Å; G154-A157 VanDerWaalsContact O-N 3.15Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; A157-Q159 PolarHBondContact O-N 2.81Å; A157-T161 WeakPolarHBondContact O-CB 3.5Å; A157-T161 PolarHBondContact O-N 2.84Å; A157-T161 PolarHBondContact O-OG1 3.31Å; A157-L214 HydrophobicContact CB-CD1 3.9Å
158I98.9Very high98.5Very high0 Ų019 Ų190%012%0.115CC..Hα-helixtrans-57.3-49.8175.6-66.5163.4000110.3I146 G149 G154 A156 T161 R162 P168 V170 A181 L184 A186I146-I158 HydrophobicContact CD1-CG1 3.95Å; G149-I158 VanDerWaalsContact O-CD1 3.26Å; G149-I158 WeakPolarHBondContact O-CD1 3.39Å; G154-I158 WeakPolarHBondContact O-CG1 3.4Å; G154-I158 PolarHBondContact O-N 3.17Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 3.38Å; I158-T161 PolarHBondContact O-N 3.42Å; I158-R162 PolarHBondContact O-N 2.99Å; I158-R162 VanDerWaalsContact O-N 3.09Å; I158-P168 HydrophobicContact CG2-CB 4.34Å; I158-P168 HydrophobicContact CG2-CG 4.16Å; I158-V170 HydrophobicContact CD1-CG1 3.66Å; I158-V170 HydrophobicContact CG1-CG1 3.65Å; I158-A181 HydrophobicContact CD1-CB 4.1Å; I158-L184 HydrophobicContact CD1-CD1 4.44Å; I158-L184 HydrophobicContact CG2-CB 3.98Å; I158-L184 WeakPolarHBondContact CG2-O 3.45Å; I158-A186 HydrophobicContact CG2-CB 4.49Å
159Q98.8Very high98.6Very high15 Ų1517.7 Ų17.77%0.0711%0.105CC..Hα-helixtrans-68.4-44.5-175.9-65.1178.276.700111.3W125 T155 A156 A157 T161 R162 M163 L184 L297 L298W125-Q159 HydrophobicContact CH2-CB 4.13Å; W125-Q159 HydrophobicContact CZ3-CB 4.36Å; T155-Q159 PolarHBondContact O-NE2 3.02Å; A156-Q159 PolarHBondContact O-N 3.48Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; A157-Q159 PolarHBondContact O-N 2.81Å; Q159-T161 VanDerWaalsContact C-N 3.32Å; Q159-T161 PolarHBondContact O-N 3.48Å; Q159-R162 PolarHBondContact O-N 3.47Å; Q159-M163 PolarHBondContact O-N 2.89Å; Q159-L184 HydrophobicContact CG-CB 4.47Å; Q159-L184 HydrophobicContact CG-CD2 4.46Å; Q159-L297 HydrophobicContact CB-CD2 3.94Å; Q159-L298 PolarHBondContact NE2-O 3.44Å; Q159-L298 PolarHBondContact OE1-O 3.41Å
160L98.8Very high98.7Very high0 Ų017.7 Ų17.70%011%0.105CC..Hα-helixtrans-65.6-34.9176.6-66.5-176.2000112.6W125 A128 F129 L132 A156 R162 M163 A164 I285 L297W125-L160 HydrophobicContact CE3-CD1 4.13Å; W125-L160 HydrophobicContact CE3-CD2 4.02Å; W125-L160 HydrophobicContact CE3-CG 3.98Å; W125-L160 HydrophobicContact CZ3-CD2 3.93Å; W125-L160 HydrophobicContact CZ3-CG 4.01Å; A128-L160 HydrophobicContact CB-CD1 3.93Å; F129-L160 HydrophobicContact CB-CD1 4.02Å; L132-L160 HydrophobicContact CD1-CB 3.54Å; L132-L160 HydrophobicContact CD1-CD1 4.49Å; A156-L160 WeakPolarHBondContact O-CG 3.32Å; A156-L160 PolarHBondContact O-N 2.82Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-M163 HydrophobicContact CD2-CE 3.79Å; L160-M163 PolarHBondContact O-N 3.19Å; L160-A164 WeakPolarHBondContact O-CB 3.42Å; L160-A164 PolarHBondContact O-N 2.77Å; L160-I285 HydrophobicContact CD2-CD1 4.14Å; L160-I285 HydrophobicContact CD2-CG2 3.58Å; L160-L297 HydrophobicContact CD2-CD1 3.9Å; L160-L297 HydrophobicContact CD2-CD2 4.32Å
161T98.9Very high98.7Very high0 Ų017.6 Ų17.60%011%0.105CC..Hα-helixtrans-62.6-43.3173.6-59.80000110.7V144 A157 I158 Q159 A164 G165 A166 P168V144-T161 HydrophobicContact CB-CG2 3.83Å; V144-T161 HydrophobicContact CG1-CG2 4.5Å; V144-T161 HydrophobicContact CG2-CG2 3.65Å; A157-T161 WeakPolarHBondContact O-CB 3.5Å; A157-T161 PolarHBondContact O-N 2.84Å; A157-T161 PolarHBondContact O-OG1 3.31Å; I158-T161 PolarHBondContact O-N 3.42Å; Q159-T161 VanDerWaalsContact C-N 3.32Å; Q159-T161 PolarHBondContact O-N 3.48Å; T161-A164 PolarHBondContact O-N 2.8Å; T161-G165 PolarHBondContact O-N 3.44Å; T161-A166 HydrophobicContact CG2-CB 3.55Å; T161-A166 WeakPolarHBondContact O-CB 3.48Å; T161-A166 PolarHBondContact O-N 3.04Å; T161-P168 HydrophobicContact CG2-CB 3.82Å; T161-P168 HydrophobicContact CG2-CG 4.17Å
162R98.4Very high98.7Very high107 Ų10716.3 Ų16.340%0.40410%0.095SC..Hα-helixtrans-63.3-43.6174.4-75.2-57.7-169.2174.63.7112.6I158 Q159 L160 A164 G165 P168 G185I158-R162 PolarHBondContact O-N 2.99Å; I158-R162 VanDerWaalsContact O-N 3.09Å; Q159-R162 PolarHBondContact O-N 3.47Å; L160-R162 VanDerWaalsContact C-N 3.35Å; R162-A164 PolarHBondContact O-N 2.82Å; R162-G165 PolarHBondContact O-N 2.94Å; R162-P168 HydrophobicContact CG-CG 3.93Å; R162-G185 PolarHBondContact NE-O 3.43Å; R162-G185 PolarHBondContact NH2-O 2.82Å
163M98Very high98.6Very high65 Ų6516.3 Ų16.332%0.3210%0.096SC..Hα-helixtrans-62-34.9177.9-166.8171.676.700112Q159 L160 G165 I285 H288 L297Q159-M163 PolarHBondContact O-N 2.89Å; L160-M163 HydrophobicContact CD2-CE 3.79Å; L160-M163 PolarHBondContact O-N 3.19Å; M163-G165 PolarHBondContact O-N 3.14Å; M163-I285 HydrophobicContact CE-CD1 3.29Å; M163-I285 HydrophobicContact CE-CG2 4.32Å; M163-H288 HydrophobicContact SD-CB 4.07Å; M163-L297 HydrophobicContact CE-CD1 4.29Å; M163-L297 HydrophobicContact SD-CD1 4.08Å; M163-L297 HydrophobicContact SD-CD2 4.15Å; M163-L297 HydrophobicContact SD-CG 4.3Å
164A98.4Very high98.4Very high26 Ų2617.2 Ų17.222%0.21510%0.103CC..THydrogen-bonded Turntrans-73.11.3173.500000114.2V138 A140 L160 T161 R162 A166V138-A164 HydrophobicContact CG1-CB 3.91Å; V138-A164 HydrophobicContact CG2-CB 4.43Å; A140-A164 WeakPolarHBondContact CA-O 3.5Å; L160-A164 WeakPolarHBondContact O-CB 3.42Å; L160-A164 PolarHBondContact O-N 2.77Å; T161-A164 PolarHBondContact O-N 2.8Å; R162-A164 PolarHBondContact O-N 2.82Å; A164-A166 PolarHBondContact O-N 2.92Å
165G98.3Very high98.3Very high43 Ų4322.2 Ų22.244%0.44313%0.126SC..THydrogen-bonded Turntrans72.115.2-176.700000114G141 T161 R162 M163G141-G165 PolarHBondContact N-O 2.9Å; T161-G165 PolarHBondContact O-N 3.44Å; R162-G165 PolarHBondContact O-N 2.94Å; M163-G165 PolarHBondContact O-N 3.14Å
166A98.8Very high98.1Very high2 Ų228.4 Ų28.42%0.01716%0.155CC..  trans-95.2174.4177.900000111.7V138 D142 V144 T161 A164 P168V138-A166 HydrophobicContact CG2-CB 3.66Å; D142-A166 HydrophobicContact CB-CB 4.31Å; D142-A166 WeakPolarHBondContact O-CB 3.35Å; V144-A166 HydrophobicContact CG2-CB 4.06Å; T161-A166 HydrophobicContact CG2-CB 3.55Å; T161-A166 WeakPolarHBondContact O-CB 3.48Å; T161-A166 PolarHBondContact O-N 3.04Å; A164-A166 PolarHBondContact O-N 2.92Å; A166-P168 WeakPolarHBondContact O-CD 3.43Å
167I98.9Very high98Very high42 Ų4230 Ų3022%0.21516%0.162CC..EExtended strand (participates in β ladder)trans-115.199.2-170.7-54.2172.6000109.3D142 Y143 V144 L169 A187 F204D142-I167 PolarHBondContact O-N 3.47Å; Y143-I167 HydrophobicContact CD1-CB 3.87Å; Y143-I167 HydrophobicContact CD1-CD1 3.91Å; Y143-I167 HydrophobicContact CD1-CG1 4.48Å; Y143-I167 HydrophobicContact CD1-CG2 3.9Å; Y143-I167 HydrophobicContact CE1-CB 4.26Å; Y143-I167 HydrophobicContact CE1-CD1 3.51Å; Y143-I167 HydrophobicContact CE1-CG1 4.48Å; Y143-I167 HydrophobicContact CE1-CG2 4.08Å; V144-I167 PolarHBondContact N-O 3.37Å; I167-L169 HydrophobicContact CG2-CD2 4.34Å; I167-L169 PolarHBondContact O-N 2.91Å; I167-A187 HydrophobicContact CG2-CB 3.41Å; I167-A187 VanDerWaalsContact CG2-CB 3.41Å; I167-F204 HydrophobicContact CG2-CE1 4.07Å; I167-F204 HydrophobicContact CG2-CZ 4.48Å
168P98.9Very high98Very high0 Ų030.7 Ų30.70%017%0.165CC..EExtended strand (participates in β ladder)trans-76.9123.7-179.428.2-31.5000111.6I146 I158 T161 R162 A166 G185 A187I146-P168 HydrophobicContact CD1-CB 3.87Å; I158-P168 HydrophobicContact CG2-CB 4.34Å; I158-P168 HydrophobicContact CG2-CG 4.16Å; T161-P168 HydrophobicContact CG2-CB 3.82Å; T161-P168 HydrophobicContact CG2-CG 4.17Å; R162-P168 HydrophobicContact CG-CG 3.93Å; A166-P168 WeakPolarHBondContact O-CD 3.43Å; P168-G185 WeakPolarHBondContact CG-O 3.35Å; P168-A187 WeakPolarHBondContact O-CB 3.29Å; P168-A187 PolarHBondContact O-N 2.88Å
169L98.9Very high97.9Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-107137.5166.1-46.9-179.1000107.6V144 L145 I146 I167 A187 A188 F190 T201 F204 T205 V210V144-L169 PolarHBondContact O-N 2.85Å; L145-L169 CarbonylContact C-O 3.54Å; L145-L169 WeakPolarHBondContact CA-O 3.4Å; L145-L169 HydrophobicContact CD1-CB 4.07Å; I146-L169 PolarHBondContact N-O 2.82Å; I167-L169 HydrophobicContact CG2-CD2 4.34Å; I167-L169 PolarHBondContact O-N 2.91Å; L169-A187 HydrophobicContact CD2-CB 4.17Å; L169-A188 WeakPolarHBondContact CA-O 3.24Å; L169-A188 HydrophobicContact CD2-CB 3.87Å; L169-F190 HydrophobicContact CB-CE2 4.07Å; L169-F190 HydrophobicContact CD1-CE2 4.5Å; L169-T201 HydrophobicContact CD1-CG2 4.11Å; L169-F204 HydrophobicContact CD1-CD1 3.95Å; L169-F204 HydrophobicContact CD2-CD1 3.43Å; L169-F204 VanDerWaalsContact CD2-CD1 3.43Å; L169-F204 HydrophobicContact CD2-CE1 3.34Å; L169-F204 HydrophobicContact CD2-CE2 4.45Å; L169-F204 HydrophobicContact CD2-CG 4.05Å; L169-F204 HydrophobicContact CD2-CZ 3.89Å; L169-F204 HydrophobicContact CG-CD1 4.35Å; L169-T205 HydrophobicContact CD1-CG2 4.18Å; L169-V210 HydrophobicContact CD1-CG1 3.83Å
170V98.9Very high97.8Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-122.1149-174.4-55.60000112.2I146 I158 L178 A181 A186 A188 G189 F190I146-V170 HydrophobicContact CB-CG1 4.43Å; I146-V170 WeakPolarHBondContact O-CA 3.48Å; I158-V170 HydrophobicContact CD1-CG1 3.66Å; I158-V170 HydrophobicContact CG1-CG1 3.65Å; V170-L178 HydrophobicContact CG2-CD2 4.03Å; V170-A181 HydrophobicContact CG1-CB 4.46Å; V170-A181 HydrophobicContact CG2-CB 3.66Å; V170-A186 HydrophobicContact CG1-CB 3.81Å; V170-A186 HydrophobicContact CG2-CB 3.95Å; V170-A188 PolarHBondContact N-O 2.91Å; V170-G189 CarbonylContact O-C 3.52Å; V170-G189 WeakPolarHBondContact O-CA 3.18Å; V170-F190 PolarHBondContact O-N 2.85Å
171T98.8Very high97.8Very high1 Ų137.6 Ų37.61%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-113.4138.2161.876.70000111.1L145 I146 H147 A148 G149 F190 F197L145-T171 HydrophobicContact CD1-CG2 4.06Å; I146-T171 PolarHBondContact O-N 3.2Å; H147-T171 WeakPolarHBondContact ND1-CG2 3.44Å; H147-T171 PolarHBondContact ND1-OG1 2.99Å; A148-T171 PolarHBondContact N-O 2.82Å; G149-T171 PolarHBondContact N-O 3.5Å; T171-F190 WeakPolarHBondContact CA-O 3.2Å; T171-F190 HydrophobicContact CG2-CB 4.46Å; T171-F190 HydrophobicContact CG2-CD2 4.37Å; T171-F197 HydrophobicContact CG2-CB 3.71Å; T171-F197 HydrophobicContact CG2-CD1 4.37Å; T171-F197 HydrophobicContact CG2-CD2 4.28Å; T171-F197 HydrophobicContact CG2-CG 3.89Å
172A97.9Very high97.8Very high4 Ų444.2 Ų44.23%0.03323%0.23CC..EExtended strand (participates in β ladder)trans-149.8166.7174.400000110.9L150 K177 L178 F190 N191 Y192L150-A172 HydrophobicContact CD2-CB 3.93Å; A172-K177 HydrophobicContact CB-CB 3.67Å; A172-K177 HydrophobicContact CB-CG 4.47Å; A172-L178 HydrophobicContact CB-CD2 3.66Å; A172-L178 HydrophobicContact CB-CG 4.35Å; A172-F190 PolarHBondContact N-O 2.76Å; A172-F190 VanDerWaalsContact N-O 3.12Å; A172-N191 VanDerWaalsContact O-CA 3.29Å; A172-N191 WeakPolarHBondContact O-CA 3.31Å; A172-N191 PolarHBondContact O-OD1 3.05Å; A172-Y192 WeakPolarHBondContact O-CD1 3.29Å; A172-Y192 PolarHBondContact O-N 3.35Å
173G95.7Very high97.7Very high14 Ų1447.6 Ų47.614%0.14425%0.247CC..SBendtrans-103.316.9-171.900000115.3K193G173-K193 WeakPolarHBondContact O-CD 3.47Å; G173-K193 WeakPolarHBondContact O-CE 3.24Å; G173-K193 PolarHBondContact O-NZ 3.32Å
174S95.9Very high97.7Very high39 Ų3945.4 Ų45.427%0.27324%0.237SC..SBendtrans-161.6153171.978.20000112.4Q176 K177 L178S174-Q176 VanDerWaalsContact C-N 3.3Å; S174-Q176 PolarHBondContact O-N 3.24Å; S174-K177 WeakPolarHBondContact O-CB 3.39Å; S174-K177 PolarHBondContact O-N 3.28Å; S174-K177 VanDerWaalsContact O-N 3.12Å; S174-K177 VanDerWaalsContact OG-CG 3.24Å; S174-K177 WeakPolarHBondContact OG-CG 3.42Å; S174-K177 PolarHBondContact OG-N 3.23Å; S174-L178 PolarHBondContact O-N 3.02Å
175Q95.3Very high97.7Very high105 Ų10545.1 Ų45.149%0.49124%0.236SC..Hα-helixtrans-60.6-37.3179.4-167.760.62100113.3K177 L178 Q179Q175-K177 VanDerWaalsContact C-N 3.28Å; Q175-K177 PolarHBondContact O-N 3.08Å; Q175-L178 PolarHBondContact O-N 3.01Å; Q175-L178 VanDerWaalsContact O-N 3.16Å; Q175-Q179 WeakPolarHBondContact O-CG 3.43Å; Q175-Q179 PolarHBondContact O-N 3.49Å
176Q95.7Very high97.7Very high133 Ų13343.6 Ų43.662%0.62122%0.219SC*.Hα-helixtrans-60-39.5176.4-174.7-175.72.700111.7S174 M180 L323S174-Q176 VanDerWaalsContact C-N 3.3Å; S174-Q176 PolarHBondContact O-N 3.24Å; Q176-M180 PolarHBondContact O-N 3.14Å; Q176-L323 HydrophobicContact CG-CD1 4.37Å
177K96.9Very high97.7Very high34 Ų3445.1 Ų45.115%0.14823%0.232CC..Hα-helixtrans-63.9-45.7175.4-56.8-135.1175.7-177.80110.4L150 A172 S174 Q175 Q179 M180 A181 N320 N322 L323L150-K177 HydrophobicContact CB-CB 4.13Å; L150-K177 HydrophobicContact CB-CD 3.9Å; L150-K177 HydrophobicContact CD2-CB 3.9Å; L150-K177 VanDerWaalsContact CD2-O 3.29Å; L150-K177 WeakPolarHBondContact CD2-O 3.48Å; L150-K177 HydrophobicContact CG-CB 3.78Å; L150-K177 VanDerWaalsContact CG-O 3.25Å; L150-K177 WeakPolarHBondContact CG-O 3.41Å; A172-K177 HydrophobicContact CB-CB 3.67Å; A172-K177 HydrophobicContact CB-CG 4.47Å; S174-K177 WeakPolarHBondContact O-CB 3.39Å; S174-K177 PolarHBondContact O-N 3.28Å; S174-K177 VanDerWaalsContact O-N 3.12Å; S174-K177 VanDerWaalsContact OG-CG 3.24Å; S174-K177 WeakPolarHBondContact OG-CG 3.42Å; S174-K177 PolarHBondContact OG-N 3.23Å; Q175-K177 VanDerWaalsContact C-N 3.28Å; Q175-K177 PolarHBondContact O-N 3.08Å; K177-Q179 PolarHBondContact O-N 2.92Å; K177-M180 PolarHBondContact O-N 3.01Å; K177-A181 PolarHBondContact O-N 3.49Å; K177-N320 PolarHBondContact NZ-O 3.34Å; K177-N322 PolarHBondContact NZ-O 3.07Å; K177-L323 HydrophobicContact CB-CD2 3.84Å; K177-L323 HydrophobicContact CD-CD2 3.68Å; K177-L323 HydrophobicContact CG-CD2 3.51Å
178L98.1Very high97.7Very high14 Ų1444 Ų447%0.07323%0.229CC..Hα-helixtrans-63-40.9-178.7-61.7-178.4000112.9V170 A172 S174 Q175 M180 A181 E182 N191V170-L178 HydrophobicContact CG2-CD2 4.03Å; A172-L178 HydrophobicContact CB-CD2 3.66Å; A172-L178 HydrophobicContact CB-CG 4.35Å; S174-L178 PolarHBondContact O-N 3.02Å; Q175-L178 PolarHBondContact O-N 3.01Å; Q175-L178 VanDerWaalsContact O-N 3.16Å; L178-M180 VanDerWaalsContact C-N 3.29Å; L178-M180 PolarHBondContact O-N 3.3Å; L178-A181 VanDerWaalsContact O-CB 3.31Å; L178-A181 WeakPolarHBondContact O-CB 3.3Å; L178-A181 PolarHBondContact O-N 2.75Å; L178-E182 PolarHBondContact O-N 3.28Å; L178-N191 HydrophobicContact CD1-CB 3.88Å
179Q97.8Very high97.7Very high103 Ų10345.4 Ų45.448%0.48124%0.243SC..Hα-helixtrans-60.6-38.7174.6-71.7172.8-9.400112.3Q175 K177 A181 K183Q175-Q179 WeakPolarHBondContact O-CG 3.43Å; Q175-Q179 PolarHBondContact O-N 3.49Å; K177-Q179 PolarHBondContact O-N 2.92Å; Q179-A181 VanDerWaalsContact C-N 3.35Å; Q179-K183 WeakPolarHBondContact O-CG 3.36Å; Q179-K183 PolarHBondContact O-N 2.86Å
180M97.5Very high97.7Very high58 Ų5846 Ų4629%0.28625%0.246SC..Hα-helixtrans-67.7-38.5173.6-175.259.3-17700111.3L150 Q176 K177 L178 E182 K183 L184 V300L150-M180 HydrophobicContact CD1-CB 4.09Å; L150-M180 HydrophobicContact CD1-CG 4.05Å; Q176-M180 PolarHBondContact O-N 3.14Å; K177-M180 PolarHBondContact O-N 3.01Å; L178-M180 VanDerWaalsContact C-N 3.29Å; L178-M180 PolarHBondContact O-N 3.3Å; M180-E182 VanDerWaalsContact C-N 3.31Å; M180-E182 PolarHBondContact O-N 3.14Å; M180-K183 WeakPolarHBondContact O-CB 3.3Å; M180-K183 PolarHBondContact O-N 3Å; M180-K183 HydrophobicContact SD-CD 4.42Å; M180-L184 HydrophobicContact CE-CD1 4.38Å; M180-L184 HydrophobicContact CE-CD2 4.13Å; M180-L184 HydrophobicContact CE-CG 4.22Å; M180-L184 HydrophobicContact CG-CD1 4.45Å; M180-L184 WeakPolarHBondContact O-CG 3.34Å; M180-L184 PolarHBondContact O-N 3.48Å; M180-V300 HydrophobicContact CE-CG1 3.87Å
181A98.3Very high97.7Very high0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-61.7-42.3178.200000111.6L150 I158 V170 K177 L178 Q179 K183 L184 G185 A186L150-A181 HydrophobicContact CD1-CB 4.02Å; L150-A181 HydrophobicContact CD2-CB 3.61Å; L150-A181 HydrophobicContact CG-CB 4.36Å; I158-A181 HydrophobicContact CD1-CB 4.1Å; V170-A181 HydrophobicContact CG1-CB 4.46Å; V170-A181 HydrophobicContact CG2-CB 3.66Å; K177-A181 PolarHBondContact O-N 3.49Å; L178-A181 VanDerWaalsContact O-CB 3.31Å; L178-A181 WeakPolarHBondContact O-CB 3.3Å; L178-A181 PolarHBondContact O-N 2.75Å; Q179-A181 VanDerWaalsContact C-N 3.35Å; A181-K183 VanDerWaalsContact C-N 3.33Å; A181-K183 PolarHBondContact O-N 3.06Å; A181-L184 CarbonylContact O-C 3.11Å; A181-L184 WeakPolarHBondContact O-CB 3.33Å; A181-L184 PolarHBondContact O-N 2.88Å; A181-L184 VanDerWaalsContact O-N 3.1Å; A181-G185 PolarHBondContact O-N 3.06Å; A181-G185 VanDerWaalsContact O-N 3.13Å; A181-A186 VanDerWaalsContact C-CB 3.5Å; A181-A186 HydrophobicContact CB-CB 3.78Å; A181-A186 VanDerWaalsContact O-CB 3.26Å; A181-A186 WeakPolarHBondContact O-CB 3.48Å; A181-A186 PolarHBondContact O-N 2.87Å
182E98.1Very high97.6Very high139 Ų13950.6 Ų50.665%0.6526%0.264SS*.Hα-helixtrans-58.1-44.4175.1-174.7179.8-175.700111.4L178 M180 L184 G185L178-E182 PolarHBondContact O-N 3.28Å; M180-E182 VanDerWaalsContact C-N 3.31Å; M180-E182 PolarHBondContact O-N 3.14Å; E182-L184 VanDerWaalsContact C-N 3.26Å; E182-L184 PolarHBondContact O-N 2.9Å; E182-G185 WeakPolarHBondContact O-CA 3.42Å; E182-G185 PolarHBondContact O-N 3.2Å
183K97.3Very high97.6Very high177 Ų17757.4 Ų57.477%0.7729%0.293SS*.Hα-helixtrans-62.1-31.6174.7-68.7178.6-179.2-177.60113.5Q179 M180 A181 G185Q179-K183 WeakPolarHBondContact O-CG 3.36Å; Q179-K183 PolarHBondContact O-N 2.86Å; M180-K183 WeakPolarHBondContact O-CB 3.3Å; M180-K183 PolarHBondContact O-N 3Å; M180-K183 HydrophobicContact SD-CD 4.42Å; A181-K183 VanDerWaalsContact C-N 3.33Å; A181-K183 PolarHBondContact O-N 3.06Å; K183-G185 PolarHBondContact O-N 3.14Å
184L97.9Very high97.6Very high20 Ų2063.6 Ų63.611%0.10532%0.318CS..THydrogen-bonded Turntrans-79-5.3173.6-64173.2000112.8L150 T155 I158 Q159 M180 A181 E182 V300L150-L184 HydrophobicContact CD1-CD1 4.11Å; T155-L184 HydrophobicContact CG2-CD1 3.73Å; I158-L184 HydrophobicContact CD1-CD1 4.44Å; I158-L184 HydrophobicContact CG2-CB 3.98Å; I158-L184 WeakPolarHBondContact CG2-O 3.45Å; Q159-L184 HydrophobicContact CG-CB 4.47Å; Q159-L184 HydrophobicContact CG-CD2 4.46Å; M180-L184 HydrophobicContact CE-CD1 4.38Å; M180-L184 HydrophobicContact CE-CD2 4.13Å; M180-L184 HydrophobicContact CE-CG 4.22Å; M180-L184 HydrophobicContact CG-CD1 4.45Å; M180-L184 WeakPolarHBondContact O-CG 3.34Å; M180-L184 PolarHBondContact O-N 3.48Å; A181-L184 CarbonylContact O-C 3.11Å; A181-L184 WeakPolarHBondContact O-CB 3.33Å; A181-L184 PolarHBondContact O-N 2.88Å; A181-L184 VanDerWaalsContact O-N 3.1Å; E182-L184 VanDerWaalsContact C-N 3.26Å; E182-L184 PolarHBondContact O-N 2.9Å; L184-V300 HydrophobicContact CD1-CG2 4.05Å; L184-V300 HydrophobicContact CD2-CG2 3.7Å
185G97.9Very high97.7Very high20 Ų2065.7 Ų65.721%0.20632%0.323CS..THydrogen-bonded Turntrans102.115.417800000114.5R162 P168 A181 E182 K183 A187R162-G185 PolarHBondContact NE-O 3.43Å; R162-G185 PolarHBondContact NH2-O 2.82Å; P168-G185 WeakPolarHBondContact CG-O 3.35Å; A181-G185 PolarHBondContact O-N 3.06Å; A181-G185 VanDerWaalsContact O-N 3.13Å; E182-G185 WeakPolarHBondContact O-CA 3.42Å; E182-G185 PolarHBondContact O-N 3.2Å; K183-G185 PolarHBondContact O-N 3.14Å; G185-A187 PolarHBondContact O-N 2.85Å
186A98.6Very high97.8Very high11 Ų1163.1 Ų63.19%0.09131%0.313CS..  trans-56130.8170.400000110.7I158 V170 A181I158-A186 HydrophobicContact CG2-CB 4.49Å; V170-A186 HydrophobicContact CG1-CB 3.81Å; V170-A186 HydrophobicContact CG2-CB 3.95Å; A181-A186 VanDerWaalsContact C-CB 3.5Å; A181-A186 HydrophobicContact CB-CB 3.78Å; A181-A186 VanDerWaalsContact O-CB 3.26Å; A181-A186 WeakPolarHBondContact O-CB 3.48Å; A181-A186 PolarHBondContact O-N 2.87Å
187A98.8Very high98Very high33 Ų3356.9 Ų56.927%0.27328%0.284SS..SBendtrans-77.4-30.3178.100000112.2I167 P168 L169 G185 F204I167-A187 HydrophobicContact CG2-CB 3.41Å; I167-A187 VanDerWaalsContact CG2-CB 3.41Å; P168-A187 WeakPolarHBondContact O-CB 3.29Å; P168-A187 PolarHBondContact O-N 2.88Å; L169-A187 HydrophobicContact CD2-CB 4.17Å; G185-A187 PolarHBondContact O-N 2.85Å; A187-F204 HydrophobicContact CB-CE1 4.47Å; A187-F204 HydrophobicContact CB-CZ 3.9Å
188A98.8Very high98.1Very high19 Ų1955.5 Ų55.516%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-150.3155.3168.200000109.6L169 V170 F190 F204L169-A188 WeakPolarHBondContact CA-O 3.24Å; L169-A188 HydrophobicContact CD2-CB 3.87Å; V170-A188 PolarHBondContact N-O 2.91Å; A188-F190 HydrophobicContact CB-CE1 3.9Å; A188-F190 HydrophobicContact CB-CZ 3.77Å; A188-F204 HydrophobicContact CB-CD2 3.66Å; A188-F204 HydrophobicContact CB-CE2 3.71Å; A188-F204 HydrophobicContact CB-CG 4.26Å; A188-F204 HydrophobicContact CB-CZ 4.36Å
189G98.6Very high98.1Very high29 Ų2961.5 Ų61.530%0.29931%0.306SS..EExtended strand (participates in β ladder)trans-135.1135.1175.500000111V170V170-G189 CarbonylContact O-C 3.52Å; V170-G189 WeakPolarHBondContact O-CA 3.18Å
190F98.6Very high98.2Very high13 Ų1357.3 Ų57.36%0.05729%0.289CS..EExtended strand (participates in β ladder)trans-119.6127.8-176.1-46.7-54.9000110.7L145 L169 V170 T171 A172 A188 Y192 E195 F197 A200 T201 F204L145-F190 HydrophobicContact CD1-CE2 4.48Å; L169-F190 HydrophobicContact CB-CE2 4.07Å; L169-F190 HydrophobicContact CD1-CE2 4.5Å; V170-F190 PolarHBondContact O-N 2.85Å; T171-F190 WeakPolarHBondContact CA-O 3.2Å; T171-F190 HydrophobicContact CG2-CB 4.46Å; T171-F190 HydrophobicContact CG2-CD2 4.37Å; A172-F190 PolarHBondContact N-O 2.76Å; A172-F190 VanDerWaalsContact N-O 3.12Å; A188-F190 HydrophobicContact CB-CE1 3.9Å; A188-F190 HydrophobicContact CB-CZ 3.77Å; F190-Y192 PolarHBondContact O-N 2.99Å; F190-E195 WeakPolarHBondContact CA-OE1 3.32Å; F190-E195 HydrophobicContact CB-CG 4.41Å; F190-F197 HydrophobicContact CB-CB 4.02Å; F190-F197 HydrophobicContact CD2-CB 4.21Å; F190-F197 HydrophobicContact CG-CB 4.41Å; F190-A200 HydrophobicContact CD1-CB 3.46Å; F190-A200 VanDerWaalsContact CD1-CB 3.46Å; F190-A200 HydrophobicContact CD2-CB 4.49Å; F190-A200 HydrophobicContact CE1-CB 3.56Å; F190-A200 HydrophobicContact CG-CB 3.97Å; F190-A200 HydrophobicContact CZ-CB 4.12Å; F190-T201 WeakPolarHBondContact CE2-OG1 3.31Å; F190-F204 HydrophobicContact CZ-CB 4.42Å
191N98.4Very high98.2Very high1 Ų154.5 Ų54.51%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-8798.5177.6-170.7-11.4000109.7A172 L178 K193 E194 E195A172-N191 VanDerWaalsContact O-CA 3.29Å; A172-N191 WeakPolarHBondContact O-CA 3.31Å; A172-N191 PolarHBondContact O-OD1 3.05Å; L178-N191 HydrophobicContact CD1-CB 3.88Å; N191-K193 PolarHBondContact O-N 2.81Å; N191-K193 PolarHBondContact OD1-N 2.78Å; N191-E194 HydrophobicContact CB-CB 4.21Å; N191-E194 PolarHBondContact ND2-OE1 3.24Å; N191-E194 PolarHBondContact ND2-OE2 3.4Å; N191-E194 PolarHBondContact O-N 2.78Å; N191-E195 PolarHBondContact N-OE1 3.42Å; N191-E195 PolarHBondContact O-N 2.77Å
192Y97.9Very high98.3Very high97 Ų9756.9 Ų56.938%0.3829%0.288SS..THydrogen-bonded Turntrans-63.1-11.5-172.269.3-102.4000114.6A172 F190 Y221A172-Y192 WeakPolarHBondContact O-CD1 3.29Å; A172-Y192 PolarHBondContact O-N 3.35Å; F190-Y192 PolarHBondContact O-N 2.99Å; Y192-Y221 VanDerWaalsContact CB-OH 3.29Å; Y192-Y221 WeakPolarHBondContact CB-OH 3.46Å; Y192-Y221 WeakPolarHBondContact CD1-OH 3.38Å; Y192-Y221 WeakPolarHBondContact CD2-OH 3.43Å
193K97.1Very high98.3Very high146 Ų14658.7 Ų58.764%0.63529%0.294SS*.THydrogen-bonded Turntrans-86.6-16.4174.7-62.1-178.2-177.1164.90113.3G173 N191G173-K193 WeakPolarHBondContact O-CD 3.47Å; G173-K193 WeakPolarHBondContact O-CE 3.24Å; G173-K193 PolarHBondContact O-NZ 3.32Å; N191-K193 PolarHBondContact O-N 2.81Å; N191-K193 PolarHBondContact OD1-N 2.78Å
194E96.9Very high98.4Very high145 Ų14554 Ų5468%0.67827%0.273SS*.THydrogen-bonded Turntrans-117.7-26.8-172.2-68.5169.7-165.700112N191N191-E194 HydrophobicContact CB-CB 4.21Å; N191-E194 PolarHBondContact ND2-OE1 3.24Å; N191-E194 PolarHBondContact ND2-OE2 3.4Å; N191-E194 PolarHBondContact O-N 2.78Å
195E97.1Very high98.4Very high83 Ų8353.2 Ų53.239%0.38827%0.269SS..SBendtrans-140.8163.6-17870.5-172.612700113.2F190 N191 F197F190-E195 WeakPolarHBondContact CA-OE1 3.32Å; F190-E195 HydrophobicContact CB-CG 4.41Å; N191-E195 PolarHBondContact N-OE1 3.42Å; N191-E195 PolarHBondContact O-N 2.77Å; E195-F197 PolarHBondContact O-N 3.27Å
196D98.5Very high98.5Very high51 Ų5161.4 Ų61.427%0.27330%0.299SS..  trans-83.2105.5170.3-164-20000111.4S198 E199 A200 K224D196-S198 PolarHBondContact O-N 3.1Å; D196-S198 VanDerWaalsContact O-N 3.15Å; D196-S198 WeakPolarHBondContact OD1-CB 3.28Å; D196-S198 PolarHBondContact OD1-N 3.38Å; D196-E199 HydrophobicContact CB-CB 4.42Å; D196-E199 HydrophobicContact CB-CG 4.25Å; D196-E199 PolarHBondContact O-N 2.83Å; D196-A200 PolarHBondContact O-N 3.48Å; D196-K224 WeakPolarHBondContact OD1-CD 3.24Å; D196-K224 WeakPolarHBondContact OD1-CE 3.11Å; D196-K224 IonicContact OD1-NZ 3.39Å; D196-K224 PolarHBondContact OD1-NZ 3.28Å; D196-K224 WeakPolarHBondContact OD2-CE 3.37Å; D196-K224 IonicContact OD2-NZ 3.3Å; D196-K224 PolarHBondContact OD2-NZ 2.92Å; D196-K224 VanDerWaalsContact OD2-NZ 3.08Å
197F98.8Very high98.4Very high1 Ų163.5 Ų63.50%0.00432%0.322CS..Hα-helixtrans-59.4-26.2177.473.8-102.5000113.4L145 H147 T171 F190 E195 T201 Y221 K224 N225L145-F197 HydrophobicContact CD2-CD2 4.1Å; L145-F197 HydrophobicContact CD2-CE2 4.14Å; H147-F197 AromaticContact CE1-CD2 3.88Å; H147-F197 AromaticContact CE1-CE2 3.5Å; H147-F197 VanDerWaalsContact CE1-CE2 3.5Å; H147-F197 WeakPolarHBondContact CE1-CE2 3.23Å; H147-F197 AromaticContact CE1-CZ 3.73Å; H147-F197 AromaticContact NE2-CE2 3.99Å; T171-F197 HydrophobicContact CG2-CB 3.71Å; T171-F197 HydrophobicContact CG2-CD1 4.37Å; T171-F197 HydrophobicContact CG2-CD2 4.28Å; T171-F197 HydrophobicContact CG2-CG 3.89Å; F190-F197 HydrophobicContact CB-CB 4.02Å; F190-F197 HydrophobicContact CD2-CB 4.21Å; F190-F197 HydrophobicContact CG-CB 4.41Å; E195-F197 PolarHBondContact O-N 3.27Å; F197-T201 WeakPolarHBondContact O-CB 3.45Å; F197-T201 PolarHBondContact O-N 3.07Å; F197-T201 PolarHBondContact O-OG1 3.03Å; F197-Y221 HydrophobicContact CD1-CE2 4.32Å; F197-Y221 AromaticContact CE1-CD1 3.96Å; F197-Y221 HydrophobicContact CE1-CD1 3.96Å; F197-Y221 AromaticContact CE1-CD2 3.59Å; F197-Y221 HydrophobicContact CE1-CD2 3.59Å; F197-Y221 AromaticContact CE1-CE1 4Å; F197-Y221 HydrophobicContact CE1-CE1 4Å; F197-Y221 AromaticContact CE1-CE2 3.64Å; F197-Y221 HydrophobicContact CE1-CE2 3.64Å; F197-Y221 AromaticContact CE1-CG 3.77Å; F197-Y221 HydrophobicContact CE1-CG 3.77Å; F197-Y221 AromaticContact CE1-CZ 3.85Å; F197-Y221 HydrophobicContact CZ-CD1 4.38Å; F197-Y221 AromaticContact CZ-CD2 3.56Å; F197-Y221 HydrophobicContact CZ-CD2 3.56Å; F197-Y221 HydrophobicContact CZ-CE2 4.03Å; F197-Y221 AromaticContact CZ-CG 3.77Å; F197-Y221 HydrophobicContact CZ-CG 3.77Å; F197-K224 HydrophobicContact CD1-CD 4Å; F197-K224 HydrophobicContact CD2-CB 4.45Å; F197-K224 HydrophobicContact CE1-CB 3.81Å; F197-K224 HydrophobicContact CE1-CD 3.52Å; F197-K224 HydrophobicContact CE1-CG 4.31Å; F197-K224 HydrophobicContact CE2-CB 3.6Å; F197-K224 HydrophobicContact CZ-CB 3.24Å; F197-K224 HydrophobicContact CZ-CD 3.92Å; F197-K224 HydrophobicContact CZ-CG 4.21Å; F197-N225 WeakPolarHBondContact CE2-OD1 3.38Å; F197-N225 WeakPolarHBondContact CZ-OD1 3.12Å
198S98.9Very high98.4Very high6 Ų665 Ų654%0.04233%0.334CS..Hα-helixtrans-65.9-48.4178.3174.50000110.7D196 T201 L202 K224 N227D196-S198 PolarHBondContact O-N 3.1Å; D196-S198 VanDerWaalsContact O-N 3.15Å; D196-S198 WeakPolarHBondContact OD1-CB 3.28Å; D196-S198 PolarHBondContact OD1-N 3.38Å; S198-T201 PolarHBondContact O-N 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.26Å; S198-L202 PolarHBondContact O-N 3.43Å; S198-K224 PolarHBondContact OG-O 2.89Å; S198-N227 WeakPolarHBondContact OG-CB 3.38Å
199E98.8Very high98.5Very high139 Ų13964.1 Ų64.165%0.6533%0.327SS*.Hα-helixtrans-67.7-43.1178.5-63.2-172.4165.900111.2D196 T201 L202 K203D196-E199 HydrophobicContact CB-CB 4.42Å; D196-E199 HydrophobicContact CB-CG 4.25Å; D196-E199 PolarHBondContact O-N 2.83Å; E199-T201 VanDerWaalsContact C-N 3.32Å; E199-T201 PolarHBondContact O-N 2.8Å; E199-L202 PolarHBondContact O-N 2.88Å; E199-K203 WeakPolarHBondContact O-CB 3.42Å; E199-K203 PolarHBondContact O-N 2.87Å
200A98.8Very high98.5Very high15 Ų1562.8 Ų62.812%0.12431%0.313CS..Hα-helixtrans-61.9-40.5177.400000112.1F190 D196 K203 F204F190-A200 HydrophobicContact CD1-CB 3.46Å; F190-A200 VanDerWaalsContact CD1-CB 3.46Å; F190-A200 HydrophobicContact CD2-CB 4.49Å; F190-A200 HydrophobicContact CE1-CB 3.56Å; F190-A200 HydrophobicContact CG-CB 3.97Å; F190-A200 HydrophobicContact CZ-CB 4.12Å; D196-A200 PolarHBondContact O-N 3.48Å; A200-K203 PolarHBondContact O-N 2.88Å; A200-F204 WeakPolarHBondContact O-CB 3.5Å; A200-F204 PolarHBondContact O-N 2.88Å
201T98.9Very high98.5Very high0 Ų064.2 Ų64.20%032%0.321CS..Hα-helixtrans-62.5-48174.5-65.20000111.4L169 F190 F197 S198 E199 K203 F204 T205 V210 C228L169-T201 HydrophobicContact CD1-CG2 4.11Å; F190-T201 WeakPolarHBondContact CE2-OG1 3.31Å; F197-T201 WeakPolarHBondContact O-CB 3.45Å; F197-T201 PolarHBondContact O-N 3.07Å; F197-T201 PolarHBondContact O-OG1 3.03Å; S198-T201 PolarHBondContact O-N 3.3Å; E199-T201 VanDerWaalsContact C-N 3.32Å; E199-T201 PolarHBondContact O-N 2.8Å; T201-K203 VanDerWaalsContact C-N 3.32Å; T201-K203 PolarHBondContact O-N 2.85Å; T201-F204 PolarHBondContact O-N 2.9Å; T201-T205 WeakPolarHBondContact O-CB 3.37Å; T201-T205 WeakPolarHBondContact O-CG2 3.12Å; T201-T205 PolarHBondContact O-N 3.18Å; T201-T205 PolarHBondContact O-OG1 2.83Å; T201-V210 HydrophobicContact CG2-CB 4.41Å; T201-V210 HydrophobicContact CG2-CG1 3.33Å; T201-V210 HydrophobicContact CG2-CG2 4.32Å; T201-C228 HydrophobicContact CG2-CB 3.87Å
202L98.9Very high98.5Very high49 Ų4964.1 Ų64.126%0.25732%0.321SS..Hα-helixtrans-62-41.1177-74170.2000111.4S198 E199 T205 K206 G207 C228S198-L202 WeakPolarHBondContact O-CG 3.26Å; S198-L202 PolarHBondContact O-N 3.43Å; E199-L202 PolarHBondContact O-N 2.88Å; L202-T205 WeakPolarHBondContact CA-OG1 3.41Å; L202-T205 CarbonylContact O-C 3.45Å; L202-T205 PolarHBondContact O-N 3.2Å; L202-T205 PolarHBondContact O-OG1 3.37Å; L202-K206 PolarHBondContact O-N 2.93Å; L202-G207 PolarHBondContact O-N 2.59Å; L202-C228 HydrophobicContact CG-CB 4.11Å
203K98.8Very high98.6Very high178 Ų17859.5 Ų59.577%0.77430%0.303SS*.Hα-helixtrans-60.3-47.5175.5-177.3179.5177.8-178.10111.7E199 A200 T201 T205 K206E199-K203 WeakPolarHBondContact O-CB 3.42Å; E199-K203 PolarHBondContact O-N 2.87Å; A200-K203 PolarHBondContact O-N 2.88Å; T201-K203 VanDerWaalsContact C-N 3.32Å; T201-K203 PolarHBondContact O-N 2.85Å; K203-T205 VanDerWaalsContact C-N 3.33Å; K203-T205 PolarHBondContact O-N 3.06Å; K203-K206 PolarHBondContact O-N 3.46Å
204F98.8Very high98.7Very high77 Ų7752.6 Ų52.634%0.33827%0.273SS..Hα-helixtrans-62.1-41.7178.9-172.6-88.2000112Y143 I167 L169 A187 A188 F190 A200 T201 K206Y143-F204 HydrophobicContact CD1-CD1 4.36Å; Y143-F204 HydrophobicContact CD1-CE1 4.18Å; Y143-F204 HydrophobicContact CE1-CD1 4.15Å; Y143-F204 AromaticContact CE1-CE1 3.84Å; Y143-F204 HydrophobicContact CE1-CE1 3.84Å; I167-F204 HydrophobicContact CG2-CE1 4.07Å; I167-F204 HydrophobicContact CG2-CZ 4.48Å; L169-F204 HydrophobicContact CD1-CD1 3.95Å; L169-F204 HydrophobicContact CD2-CD1 3.43Å; L169-F204 VanDerWaalsContact CD2-CD1 3.43Å; L169-F204 HydrophobicContact CD2-CE1 3.34Å; L169-F204 HydrophobicContact CD2-CE2 4.45Å; L169-F204 HydrophobicContact CD2-CG 4.05Å; L169-F204 HydrophobicContact CD2-CZ 3.89Å; L169-F204 HydrophobicContact CG-CD1 4.35Å; A187-F204 HydrophobicContact CB-CE1 4.47Å; A187-F204 HydrophobicContact CB-CZ 3.9Å; A188-F204 HydrophobicContact CB-CD2 3.66Å; A188-F204 HydrophobicContact CB-CE2 3.71Å; A188-F204 HydrophobicContact CB-CG 4.26Å; A188-F204 HydrophobicContact CB-CZ 4.36Å; F190-F204 HydrophobicContact CZ-CB 4.42Å; A200-F204 WeakPolarHBondContact O-CB 3.5Å; A200-F204 PolarHBondContact O-N 2.88Å; T201-F204 PolarHBondContact O-N 2.9Å; F204-K206 PolarHBondContact O-N 2.82Å
205T98.8Very high98.7Very high4 Ų445.7 Ų45.73%0.02524%0.24CC..THydrogen-bonded Turntrans-84.210.2179.659.30000113.5Y143 L169 T201 L202 K203 G207 A208 G209 V210Y143-T205 HydrophobicContact CD1-CG2 3.87Å; Y143-T205 HydrophobicContact CD2-CG2 3.91Å; Y143-T205 HydrophobicContact CE1-CG2 4.25Å; Y143-T205 HydrophobicContact CE2-CG2 4.29Å; Y143-T205 HydrophobicContact CG-CG2 3.68Å; L169-T205 HydrophobicContact CD1-CG2 4.18Å; T201-T205 WeakPolarHBondContact O-CB 3.37Å; T201-T205 WeakPolarHBondContact O-CG2 3.12Å; T201-T205 PolarHBondContact O-N 3.18Å; T201-T205 PolarHBondContact O-OG1 2.83Å; L202-T205 WeakPolarHBondContact CA-OG1 3.41Å; L202-T205 CarbonylContact O-C 3.45Å; L202-T205 PolarHBondContact O-N 3.2Å; L202-T205 PolarHBondContact O-OG1 3.37Å; K203-T205 VanDerWaalsContact C-N 3.33Å; K203-T205 PolarHBondContact O-N 3.06Å; T205-G207 PolarHBondContact O-N 3.11Å; T205-A208 VanDerWaalsContact O-CB 3.29Å; T205-A208 WeakPolarHBondContact O-CB 3.23Å; T205-A208 PolarHBondContact O-N 2.89Å; T205-G209 WeakPolarHBondContact OG1-CA 3.42Å; T205-G209 PolarHBondContact OG1-N 2.77Å; T205-V210 HydrophobicContact CG2-CG1 4.23Å
206K98.6Very high98.8Very high193 Ų19342.1 Ų42.184%0.83923%0.225SC*.THydrogen-bonded Turntrans53.636.8-179.6-54.6178.1-177.2176.60113.3L202 K203 F204 A208L202-K206 PolarHBondContact O-N 2.93Å; K203-K206 PolarHBondContact O-N 3.46Å; F204-K206 PolarHBondContact O-N 2.82Å; K206-A208 VanDerWaalsContact C-N 3.31Å; K206-A208 PolarHBondContact O-N 2.74Å
207G98.6Very high98.8Very high55 Ų5540.6 Ų40.657%0.56722%0.216SC*.THydrogen-bonded Turntrans84.3-5.4179.500000115L202 T205L202-G207 PolarHBondContact O-N 2.59Å; T205-G207 PolarHBondContact O-N 3.11Å
208A98.7Very high98.8Very high64 Ų6440.8 Ų40.853%0.52922%0.218SC..SBendtrans-69.6-33.5-179.100000112.8T205 K206 A230T205-A208 VanDerWaalsContact O-CB 3.29Å; T205-A208 WeakPolarHBondContact O-CB 3.23Å; T205-A208 PolarHBondContact O-N 2.89Å; K206-A208 VanDerWaalsContact C-N 3.31Å; K206-A208 PolarHBondContact O-N 2.74Å; A208-A230 WeakPolarHBondContact O-CA 3.5Å; A208-A230 WeakPolarHBondContact O-CB 3.24Å
209G98.9Very high98.8Very high1 Ų140.9 Ų40.91%0.0122%0.22CC..  trans85.8178.3-171.900000113.1T205 C228T205-G209 WeakPolarHBondContact OG1-CA 3.42Å; T205-G209 PolarHBondContact OG1-N 2.77Å; G209-C228 CarbonylContact C-O 3.13Å; G209-C228 WeakPolarHBondContact CA-O 3.45Å
210V98.9Very high98.8Very high0 Ų038 Ų380%022%0.216CC..EExtended strand (participates in β ladder)trans-93.4139.3-179.3-72.10000112.3L145 L169 T201 T205 I213 C228 A230L145-V210 HydrophobicContact CB-CB 4.33Å; L145-V210 HydrophobicContact CB-CG1 4.08Å; L145-V210 HydrophobicContact CB-CG2 4.02Å; L145-V210 HydrophobicContact CD2-CG2 4.45Å; L169-V210 HydrophobicContact CD1-CG1 3.83Å; T201-V210 HydrophobicContact CG2-CB 4.41Å; T201-V210 HydrophobicContact CG2-CG1 3.33Å; T201-V210 HydrophobicContact CG2-CG2 4.32Å; T205-V210 HydrophobicContact CG2-CG1 4.23Å; V210-I213 HydrophobicContact CG2-CD1 3.98Å; V210-I213 HydrophobicContact CG2-CG1 3.59Å; V210-C228 WeakPolarHBondContact CG2-O 3.16Å; V210-C228 PolarHBondContact N-O 2.59Å; V210-A230 VanDerWaalsContact O-CB 3.22Å; V210-A230 WeakPolarHBondContact O-CB 3.33Å; V210-A230 PolarHBondContact O-N 3.48Å
211N98.9Very high98.8Very high43 Ų4338.4 Ų38.423%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-77.1-30.8-179.8-55.592.3000112D142 Y143 G233 R234D142-N211 HydrophobicContact CB-CB 3.91Å; D142-N211 WeakPolarHBondContact OD1-CB 3.28Å; D142-N211 VanDerWaalsContact OD1-CG 3.31Å; Y143-N211 PolarHBondContact N-OD1 2.87Å; Y143-N211 PolarHBondContact O-N 3.35Å; N211-G233 CarbonylContact O-C 3.44Å; N211-G233 WeakPolarHBondContact O-CA 3.41Å; N211-R234 PolarHBondContact O-N 2.88Å; N211-R234 PolarHBondContact O-NH1 2.99Å
212L99Very high98.8Very high0 Ų039 Ų390%022%0.216CC..EExtended strand (participates in β ladder)trans-137.9134.6-179.2-178.361.6000110.6L132 V138 Y143 V144 L145 L214 R234 V236L132-L212 HydrophobicContact CD2-CD2 3.98Å; V138-L212 HydrophobicContact CB-CD2 4.15Å; V138-L212 HydrophobicContact CG2-CD2 4.47Å; Y143-L212 PolarHBondContact O-N 3.31Å; Y143-L212 VanDerWaalsContact O-N 3.15Å; V144-L212 CarbonylContact C-O 3.51Å; V144-L212 VanDerWaalsContact CA-O 3.29Å; V144-L212 WeakPolarHBondContact CA-O 3.12Å; V144-L212 HydrophobicContact CG1-CB 4.21Å; V144-L212 HydrophobicContact CG1-CD2 4.08Å; V144-L212 HydrophobicContact CG1-CG 4.13Å; V144-L212 HydrophobicContact CG2-CB 4.18Å; V144-L212 HydrophobicContact CG2-CD2 4.32Å; L145-L212 PolarHBondContact N-O 3.31Å; L212-L214 HydrophobicContact CD1-CD2 4.41Å; L212-L214 HydrophobicContact CD2-CD2 4.28Å; L212-L214 HydrophobicContact CG-CD2 4.2Å; L212-R234 CarbonylContact C-O 3.5Å; L212-R234 VanDerWaalsContact CA-O 3.24Å; L212-R234 WeakPolarHBondContact CA-O 3.04Å; L212-R234 HydrophobicContact CD1-CB 3.76Å; L212-V236 HydrophobicContact CD1-CG2 3.67Å
213I99Very high98.8Very high0 Ų040.9 Ų40.90%022%0.224CC..EExtended strand (participates in β ladder)trans-115.9129.3169.9-57-179.4000108.4L145 V210 D215 N225 L229 R234 W235 V236L145-I213 HydrophobicContact CB-CG1 4.25Å; L145-I213 CarbonylContact O-C 3.53Å; L145-I213 WeakPolarHBondContact O-CA 3.35Å; V210-I213 HydrophobicContact CG2-CD1 3.98Å; V210-I213 HydrophobicContact CG2-CG1 3.59Å; I213-D215 HydrophobicContact CG2-CB 4.04Å; I213-N225 HydrophobicContact CD1-CB 3.92Å; I213-N225 WeakPolarHBondContact CD1-O 3.47Å; I213-L229 HydrophobicContact CD1-CB 4.35Å; I213-L229 HydrophobicContact CD1-CD1 3.75Å; I213-L229 HydrophobicContact CG1-CD1 3.89Å; I213-R234 PolarHBondContact N-O 3.48Å; I213-W235 HydrophobicContact CB-CB 4.49Å; I213-W235 HydrophobicContact CB-CG 4.38Å; I213-V236 PolarHBondContact O-N 3.13Å
214L98.9Very high98.8Very high0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-101.4103.2165.7-56.5-169.1000108.7L131 L132 V144 L145 I146 H147 A157 L212 V236 Y238L131-L214 HydrophobicContact CB-CD1 4.48Å; L131-L214 HydrophobicContact CB-CD2 3.95Å; L132-L214 HydrophobicContact CD2-CD1 3.93Å; L132-L214 HydrophobicContact CG-CD1 4.1Å; V144-L214 HydrophobicContact CG1-CG 4.29Å; L145-L214 PolarHBondContact O-N 3.35Å; I146-L214 HydrophobicContact CG1-CD1 4.41Å; H147-L214 PolarHBondContact N-O 2.93Å; H147-L214 VanDerWaalsContact N-O 3.14Å; A157-L214 HydrophobicContact CB-CD1 3.9Å; L212-L214 HydrophobicContact CD1-CD2 4.41Å; L212-L214 HydrophobicContact CD2-CD2 4.28Å; L212-L214 HydrophobicContact CG-CD2 4.2Å; L214-V236 HydrophobicContact CD2-CB 4.06Å; L214-V236 HydrophobicContact CD2-CG2 4.41Å; L214-Y238 HydrophobicContact CB-CE1 4.24Å
215D98.9Very high98.8Very high0 Ų031.7 Ų31.70%018%0.184CC..EExtended strand (participates in β ladder)trans-112.6112.6-171.4-174.913.4000112.2H147 I213 I217 G218 N225 W235 V236 L237 Y238 G239H147-D215 IonicContact CD2-OD1 3.53Å; I213-D215 HydrophobicContact CG2-CB 4.04Å; D215-I217 WeakPolarHBondContact OD1-CA 3.43Å; D215-I217 PolarHBondContact OD1-N 3.05Å; D215-G218 PolarHBondContact OD1-N 3.16Å; D215-G218 PolarHBondContact OD2-N 2.95Å; D215-N225 PolarHBondContact OD2-ND2 3.15Å; D215-W235 WeakPolarHBondContact OD2-CZ2 3.14Å; D215-W235 PolarHBondContact OD2-NE1 2.76Å; D215-V236 PolarHBondContact N-O 2.78Å; D215-L237 HydrophobicContact CB-CD1 4.2Å; D215-L237 WeakPolarHBondContact O-CA 3.37Å; D215-Y238 VanDerWaalsContact O-CD1 3.23Å; D215-Y238 WeakPolarHBondContact O-CD1 3.36Å; D215-Y238 PolarHBondContact O-N 2.96Å; D215-G239 PolarHBondContact O-N 2.8Å
216C98.6Very high98.8Very high8 Ų831.5 Ų31.55%0.05418%0.183CC..SBendtrans-107.66.2169.966.20000113.4Y238 G239 L240 M241C216-Y238 HydrophobicContact CB-CD1 4.31Å; C216-Y238 HydrophobicContact CB-CD2 4.44Å; C216-Y238 HydrophobicContact CB-CE1 3.75Å; C216-Y238 HydrophobicContact CB-CE2 3.9Å; C216-G239 CarbonylContact C-O 3.47Å; C216-G239 WeakPolarHBondContact CA-O 3.5Å; C216-G239 CarbonylContact O-C 3.59Å; C216-L240 PolarHBondContact O-N 2.67Å; C216-M241 WeakPolarHBondContact O-CB 3.49Å; C216-M241 WeakPolarHBondContact O-CG 3.44Å; C216-M241 PolarHBondContact O-N 2.8Å
217I98.8Very high98.8Very high20 Ų2025.3 Ų25.310%0.10316%0.159CC..SBendtrans-100.3-48.5-175.8-51.8-58000110H147 D215 S220 Y221 L240 M241 G242H147-I217 HydrophobicContact CB-CG1 3.92Å; D215-I217 WeakPolarHBondContact OD1-CA 3.43Å; D215-I217 PolarHBondContact OD1-N 3.05Å; I217-S220 WeakPolarHBondContact CG2-OG 3.24Å; I217-Y221 HydrophobicContact CB-CD1 4.41Å; I217-Y221 HydrophobicContact CB-CD2 3.78Å; I217-Y221 HydrophobicContact CB-CE2 4.18Å; I217-Y221 HydrophobicContact CB-CG 3.9Å; I217-Y221 HydrophobicContact CG1-CD2 3.8Å; I217-Y221 HydrophobicContact CG1-CE2 3.74Å; I217-Y221 HydrophobicContact CG1-CG 4.38Å; I217-Y221 HydrophobicContact CG2-CD1 3.63Å; I217-Y221 HydrophobicContact CG2-CD2 3.9Å; I217-Y221 HydrophobicContact CG2-CE1 3.95Å; I217-Y221 HydrophobicContact CG2-CE2 4.2Å; I217-Y221 HydrophobicContact CG2-CG 3.6Å; I217-L240 CarbonylContact O-C 3.58Å; I217-M241 HydrophobicContact CD1-CB 4.28Å; I217-M241 PolarHBondContact O-N 3.39Å; I217-G242 CarbonylContact O-C 2.97Å; I217-G242 VanDerWaalsContact O-CA 3.24Å; I217-G242 WeakPolarHBondContact O-CA 3.43Å; I217-G242 PolarHBondContact O-N 2.93Å
218G98.3Very high98.8Very high4 Ų422.7 Ų22.74%0.04113%0.132CC..  trans76.7-121176.600000113.3D215 S220 Y221 W222D215-G218 PolarHBondContact OD1-N 3.16Å; D215-G218 PolarHBondContact OD2-N 2.95Å; G218-S220 PolarHBondContact O-N 3.37Å; G218-Y221 CarbonylContact O-C 3.55Å; G218-Y221 PolarHBondContact O-N 3.08Å; G218-W222 PolarHBondContact O-N 3.42Å; G218-W222 VanDerWaalsContact O-N 3.08Å
219G98.4Very high98.8Very high8 Ų819.7 Ų19.78%0.08211%0.107CC..G310 helixtrans-47.6-61-16600000114.1Y221 W222 G243G219-Y221 PolarHBondContact O-N 3.04Å; G219-W222 PolarHBondContact O-N 2.92Å; G219-G243 WeakPolarHBondContact CA-O 3.2Å; G219-G243 PolarHBondContact N-O 3.44Å
220S98.4Very high98.8Very high80 Ų8020 Ų2056%0.55911%0.109SC*.G310 helixtrans-57.8-16.8-179.159.80000115.3I217 G218 G242I217-S220 WeakPolarHBondContact CG2-OG 3.24Å; G218-S220 PolarHBondContact O-N 3.37Å; S220-G242 WeakPolarHBondContact CB-O 3.35Å; S220-G242 PolarHBondContact N-O 3.43Å; S220-G242 WeakPolarHBondContact OG-CA 3.39Å; S220-G242 PolarHBondContact OG-O 2.79Å
221Y98.8Very high98.8Very high22 Ų2224.5 Ų24.59%0.08613%0.133CC..G310 helixtrans-106.4-8.7179.9-82.523000113.8H147 Y192 F197 I217 G218 G219 E223 K224 N225H147-Y221 HydrophobicContact CB-CE2 4.42Å; H147-Y221 AromaticContact CD2-CD2 3.93Å; H147-Y221 AromaticContact CE1-CD2 3.69Å; H147-Y221 AromaticContact CE1-CE2 3.88Å; H147-Y221 AromaticContact CG-CD2 3.84Å; H147-Y221 AromaticContact CG-CE2 3.89Å; H147-Y221 AromaticContact ND1-CD2 3.71Å; H147-Y221 AromaticContact ND1-CE2 3.53Å; H147-Y221 AromaticContact NE2-CD2 3.85Å; Y192-Y221 VanDerWaalsContact CB-OH 3.29Å; Y192-Y221 WeakPolarHBondContact CB-OH 3.46Å; Y192-Y221 WeakPolarHBondContact CD1-OH 3.38Å; Y192-Y221 WeakPolarHBondContact CD2-OH 3.43Å; F197-Y221 HydrophobicContact CD1-CE2 4.32Å; F197-Y221 AromaticContact CE1-CD1 3.96Å; F197-Y221 HydrophobicContact CE1-CD1 3.96Å; F197-Y221 AromaticContact CE1-CD2 3.59Å; F197-Y221 HydrophobicContact CE1-CD2 3.59Å; F197-Y221 AromaticContact CE1-CE1 4Å; F197-Y221 HydrophobicContact CE1-CE1 4Å; F197-Y221 AromaticContact CE1-CE2 3.64Å; F197-Y221 HydrophobicContact CE1-CE2 3.64Å; F197-Y221 AromaticContact CE1-CG 3.77Å; F197-Y221 HydrophobicContact CE1-CG 3.77Å; F197-Y221 AromaticContact CE1-CZ 3.85Å; F197-Y221 HydrophobicContact CZ-CD1 4.38Å; F197-Y221 AromaticContact CZ-CD2 3.56Å; F197-Y221 HydrophobicContact CZ-CD2 3.56Å; F197-Y221 HydrophobicContact CZ-CE2 4.03Å; F197-Y221 AromaticContact CZ-CG 3.77Å; F197-Y221 HydrophobicContact CZ-CG 3.77Å; I217-Y221 HydrophobicContact CB-CD1 4.41Å; I217-Y221 HydrophobicContact CB-CD2 3.78Å; I217-Y221 HydrophobicContact CB-CE2 4.18Å; I217-Y221 HydrophobicContact CB-CG 3.9Å; I217-Y221 HydrophobicContact CG1-CD2 3.8Å; I217-Y221 HydrophobicContact CG1-CE2 3.74Å; I217-Y221 HydrophobicContact CG1-CG 4.38Å; I217-Y221 HydrophobicContact CG2-CD1 3.63Å; I217-Y221 HydrophobicContact CG2-CD2 3.9Å; I217-Y221 HydrophobicContact CG2-CE1 3.95Å; I217-Y221 HydrophobicContact CG2-CE2 4.2Å; I217-Y221 HydrophobicContact CG2-CG 3.6Å; G218-Y221 CarbonylContact O-C 3.55Å; G218-Y221 PolarHBondContact O-N 3.08Å; G219-Y221 PolarHBondContact O-N 3.04Å; Y221-E223 VanDerWaalsContact C-N 3.3Å; Y221-E223 PolarHBondContact O-N 2.84Å; Y221-E223 VanDerWaalsContact O-N 3.14Å; Y221-K224 PolarHBondContact O-N 3.17Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.25Å
222W98.8Very high98.8Very high12 Ų1226.7 Ų26.75%0.04515%0.145CC..Hα-helixtrans-55.1-43-16784.1-109.1000113G218 G219 N225 V226 W235 I246 N247 L250 K253G218-W222 PolarHBondContact O-N 3.42Å; G218-W222 VanDerWaalsContact O-N 3.08Å; G219-W222 PolarHBondContact O-N 2.92Å; W222-N225 PolarHBondContact O-N 3.38Å; W222-V226 HydrophobicContact CE3-CG1 4.2Å; W222-V226 HydrophobicContact CZ3-CG1 4.14Å; W222-V226 WeakPolarHBondContact O-CG1 3.33Å; W222-V226 PolarHBondContact O-N 3.09Å; W222-W235 HydrophobicContact CB-CH2 3.87Å; W222-W235 HydrophobicContact CB-CZ2 4.46Å; W222-I246 HydrophobicContact CB-CD1 3.51Å; W222-I246 HydrophobicContact CD2-CD1 4.28Å; W222-I246 HydrophobicContact CD2-CG2 4Å; W222-I246 HydrophobicContact CE3-CG2 4.47Å; W222-I246 HydrophobicContact CG-CD1 3.53Å; W222-I246 HydrophobicContact CG-CG2 4.29Å; W222-I246 HydrophobicContact CZ2-CG2 4.26Å; W222-N247 WeakPolarHBondContact CZ2-O 3.13Å; W222-L250 HydrophobicContact CE3-CB 3.97Å; W222-L250 HydrophobicContact CE3-CD1 3.83Å; W222-L250 HydrophobicContact CE3-CG 4.41Å; W222-L250 HydrophobicContact CH2-CB 4.34Å; W222-L250 HydrophobicContact CZ3-CB 3.75Å; W222-L250 HydrophobicContact CZ3-CD1 4.17Å; W222-K253 HydrophobicContact CZ3-CD 4.35Å
223E98.8Very high98.8Very high89 Ų8926.7 Ų26.742%0.41615%0.145SC..Hα-helixtrans-65.9-43.9-179.3-69.4-153.3-123.700112.4Y221 V226 N227 K253Y221-E223 VanDerWaalsContact C-N 3.3Å; Y221-E223 PolarHBondContact O-N 2.84Å; Y221-E223 VanDerWaalsContact O-N 3.14Å; E223-V226 WeakPolarHBondContact O-CG1 3.4Å; E223-N227 WeakPolarHBondContact O-CB 3.16Å; E223-N227 PolarHBondContact O-N 3.43Å; E223-N227 VanDerWaalsContact O-N 3.12Å; E223-N227 PolarHBondContact O-ND2 2.9Å; E223-N227 PolarHBondContact O-OD1 2.76Å; E223-K253 IonicContact OE2-NZ 2.72Å; E223-K253 PolarHBondContact OE2-NZ 2.89Å
224K98.9Very high98.8Very high62 Ų6228.8 Ų28.827%0.2715%0.152SC..Hα-helixtrans-69.3-39.1-179.4-69.6-176173.8-143.80110.7D196 F197 S198 Y221 N227 C228D196-K224 WeakPolarHBondContact OD1-CD 3.24Å; D196-K224 WeakPolarHBondContact OD1-CE 3.11Å; D196-K224 IonicContact OD1-NZ 3.39Å; D196-K224 PolarHBondContact OD1-NZ 3.28Å; D196-K224 WeakPolarHBondContact OD2-CE 3.37Å; D196-K224 IonicContact OD2-NZ 3.3Å; D196-K224 PolarHBondContact OD2-NZ 2.92Å; D196-K224 VanDerWaalsContact OD2-NZ 3.08Å; F197-K224 HydrophobicContact CD1-CD 4Å; F197-K224 HydrophobicContact CD2-CB 4.45Å; F197-K224 HydrophobicContact CE1-CB 3.81Å; F197-K224 HydrophobicContact CE1-CD 3.52Å; F197-K224 HydrophobicContact CE1-CG 4.31Å; F197-K224 HydrophobicContact CE2-CB 3.6Å; F197-K224 HydrophobicContact CZ-CB 3.24Å; F197-K224 HydrophobicContact CZ-CD 3.92Å; F197-K224 HydrophobicContact CZ-CG 4.21Å; S198-K224 PolarHBondContact OG-O 2.89Å; Y221-K224 PolarHBondContact O-N 3.17Å; K224-N227 PolarHBondContact O-N 3.29Å; K224-C228 PolarHBondContact O-N 3.4Å; K224-C228 VanDerWaalsContact O-N 3.16Å; K224-C228 PolarHBondContact O-SG 3.28Å
225N98.9Very high98.8Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-60.7-53.6175.8-72.3-7.5000111.3H147 F197 I213 D215 Y221 W222 N227 C228 L229 W235H147-N225 PolarHBondContact NE2-OD1 2.93Å; F197-N225 WeakPolarHBondContact CE2-OD1 3.38Å; F197-N225 WeakPolarHBondContact CZ-OD1 3.12Å; I213-N225 HydrophobicContact CD1-CB 3.92Å; I213-N225 WeakPolarHBondContact CD1-O 3.47Å; D215-N225 PolarHBondContact OD2-ND2 3.15Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.25Å; W222-N225 PolarHBondContact O-N 3.38Å; N225-N227 VanDerWaalsContact C-N 3.28Å; N225-N227 PolarHBondContact O-N 3.32Å; N225-C228 PolarHBondContact O-N 2.94Å; N225-L229 WeakPolarHBondContact O-CB 3.35Å; N225-L229 PolarHBondContact O-N 2.99Å; N225-W235 HydrophobicContact CB-CD2 4.43Å; N225-W235 HydrophobicContact CB-CH2 4.22Å; N225-W235 HydrophobicContact CB-CZ2 4.01Å; N225-W235 HydrophobicContact CB-CZ3 4.5Å
226V98.9Very high98.8Very high1 Ų129 Ų291%0.00615%0.153CC..Hα-helixtrans-66.2-30.9-17872.80000112.6W222 E223 W235 K253 L254 K257W222-V226 HydrophobicContact CE3-CG1 4.2Å; W222-V226 HydrophobicContact CZ3-CG1 4.14Å; W222-V226 WeakPolarHBondContact O-CG1 3.33Å; W222-V226 PolarHBondContact O-N 3.09Å; E223-V226 WeakPolarHBondContact O-CG1 3.4Å; V226-W235 HydrophobicContact CB-CZ3 4.45Å; V226-K253 HydrophobicContact CB-CB 4.44Å; V226-K253 HydrophobicContact CG1-CB 3.86Å; V226-K253 HydrophobicContact CG1-CD 3.64Å; V226-K253 HydrophobicContact CG1-CG 4.42Å; V226-K253 HydrophobicContact CG2-CB 3.67Å; V226-L254 HydrophobicContact CG2-CB 4.2Å; V226-L254 HydrophobicContact CG2-CD1 4.26Å; V226-K257 WeakPolarHBondContact O-CE 3.47Å
227N98.9Very high98.8Very high63 Ų6330.1 Ų30.134%0.33716%0.159SC..Hα-helixtrans-67.3-44.3178.2-71.3-11.7000111.8S198 E223 K224 N225 K253 K257S198-N227 WeakPolarHBondContact OG-CB 3.38Å; E223-N227 WeakPolarHBondContact O-CB 3.16Å; E223-N227 PolarHBondContact O-N 3.43Å; E223-N227 VanDerWaalsContact O-N 3.12Å; E223-N227 PolarHBondContact O-ND2 2.9Å; E223-N227 PolarHBondContact O-OD1 2.76Å; K224-N227 PolarHBondContact O-N 3.29Å; N225-N227 VanDerWaalsContact C-N 3.28Å; N225-N227 PolarHBondContact O-N 3.32Å; N227-K253 PolarHBondContact OD1-NZ 3.39Å; N227-K253 VanDerWaalsContact OD1-NZ 3.11Å; N227-K257 PolarHBondContact O-NZ 2.79Å
228C98.9Very high98.8Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-88.4-4.5-178.971.70000114.9T201 L202 G209 V210 K224 N225T201-C228 HydrophobicContact CG2-CB 3.87Å; L202-C228 HydrophobicContact CG-CB 4.11Å; G209-C228 CarbonylContact C-O 3.13Å; G209-C228 WeakPolarHBondContact CA-O 3.45Å; V210-C228 WeakPolarHBondContact CG2-O 3.16Å; V210-C228 PolarHBondContact N-O 2.59Å; K224-C228 PolarHBondContact O-N 3.4Å; K224-C228 VanDerWaalsContact O-N 3.16Å; K224-C228 PolarHBondContact O-SG 3.28Å; N225-C228 PolarHBondContact O-N 2.94Å
229L98.9Very high98.8Very high0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-63.6138.4171.9-167.268.6000110.9I213 N225 L254 K257I213-L229 HydrophobicContact CD1-CB 4.35Å; I213-L229 HydrophobicContact CD1-CD1 3.75Å; I213-L229 HydrophobicContact CG1-CD1 3.89Å; N225-L229 WeakPolarHBondContact O-CB 3.35Å; N225-L229 PolarHBondContact O-N 2.99Å; L229-L254 HydrophobicContact CD2-CD1 3.99Å; L229-K257 HydrophobicContact CD2-CB 4.46Å; L229-K257 WeakPolarHBondContact O-CD 3.29Å; L229-K257 WeakPolarHBondContact O-CE 3.31Å; L229-K257 PolarHBondContact O-NZ 3.37Å
230A98.9Very high98.8Very high7 Ų735.9 Ų35.96%0.05819%0.188CC..EExtended strand (participates in β ladder)trans-71.5169.417300000111.8A208 V210 G233A208-A230 WeakPolarHBondContact O-CA 3.5Å; A208-A230 WeakPolarHBondContact O-CB 3.24Å; V210-A230 VanDerWaalsContact O-CB 3.22Å; V210-A230 WeakPolarHBondContact O-CB 3.33Å; V210-A230 PolarHBondContact O-N 3.48Å; A230-G233 PolarHBondContact O-N 3.37Å
231L98.9Very high98.7Very high95 Ų9536.5 Ų36.550%0.49718%0.183SC..EExtended strand (participates in β ladder)trans-60.1137.2163.1-68.7179.2000109.9G233 K257L231-G233 PolarHBondContact O-N 3.33Å; L231-G233 VanDerWaalsContact O-N 3.12Å; L231-K257 CarbonylContact C-O 3.56Å; L231-K257 VanDerWaalsContact CA-O 3.32Å; L231-K257 WeakPolarHBondContact CA-O 3.42Å
232D98.9Very high98.6Very high90 Ų9036.7 Ų36.748%0.48119%0.191SC..EExtended strand (participates in β ladder)trans59.219.1-177.1-49-58.8000113.5K257 R258D232-K257 PolarHBondContact N-O 3.49Å; D232-R258 WeakPolarHBondContact OD1-CB 3.4Å; D232-R258 IonicContact OD1-CZ 2.91Å; D232-R258 IonicContact OD1-NE 3.9Å; D232-R258 PolarHBondContact OD1-NE 3.12Å; D232-R258 IonicContact OD1-NH2 3.08Å; D232-R258 IonicContact OD2-CZ 3.53Å; D232-R258 IonicContact OD2-NE 3.77Å; D232-R258 IonicContact OD2-NH2 3.41Å; D232-R258 PolarHBondContact OD2-NH2 2.89Å
233G98.9Very high98.5Very high0 Ų037.6 Ų37.60%021%0.205CC..EExtended strand (participates in β ladder)trans-68.2148-179.400000112.7N211 A230 L231 G259 S260N211-G233 CarbonylContact O-C 3.44Å; N211-G233 WeakPolarHBondContact O-CA 3.41Å; A230-G233 PolarHBondContact O-N 3.37Å; L231-G233 PolarHBondContact O-N 3.33Å; L231-G233 VanDerWaalsContact O-N 3.12Å; G233-G259 WeakPolarHBondContact O-CA 3.45Å; G233-S260 PolarHBondContact O-N 2.8Å
234R98.9Very high98.4Very high43 Ų4336.4 Ų36.416%0.16221%0.21CC..EExtended strand (participates in β ladder)trans-101.6128.1175.5-61.690.666.6-161.3-1.3109.5G136 N137 D142 N211 L212 I213 I262G136-R234 PolarHBondContact O-NE 3.11Å; G136-R234 PolarHBondContact O-NH2 3.28Å; N137-R234 PolarHBondContact O-NH2 3.33Å; N137-R234 VanDerWaalsContact O-NH2 3.17Å; D142-R234 IonicContact OD1-NH1 3.99Å; D142-R234 IonicContact OD2-CZ 3.57Å; D142-R234 IonicContact OD2-NH1 2.59Å; D142-R234 PolarHBondContact OD2-NH1 3.26Å; D142-R234 IonicContact OD2-NH2 3.43Å; D142-R234 PolarHBondContact OD2-NH2 3.16Å; N211-R234 PolarHBondContact O-N 2.88Å; N211-R234 PolarHBondContact O-NH1 2.99Å; L212-R234 CarbonylContact C-O 3.5Å; L212-R234 VanDerWaalsContact CA-O 3.24Å; L212-R234 WeakPolarHBondContact CA-O 3.04Å; L212-R234 HydrophobicContact CD1-CB 3.76Å; I213-R234 PolarHBondContact N-O 3.48Å; R234-I262 HydrophobicContact CB-CD1 4.34Å; R234-I262 HydrophobicContact CG-CD1 4.31Å
235W98.9Very high98.4Very high5 Ų540.4 Ų40.42%0.01924%0.235CC..EExtended strand (participates in β ladder)trans-113.4106.1174.3176.86.3000108.3I213 D215 W222 N225 V226 L250 S260 L261 I262I213-W235 HydrophobicContact CB-CB 4.49Å; I213-W235 HydrophobicContact CB-CG 4.38Å; D215-W235 WeakPolarHBondContact OD2-CZ2 3.14Å; D215-W235 PolarHBondContact OD2-NE1 2.76Å; W222-W235 HydrophobicContact CB-CH2 3.87Å; W222-W235 HydrophobicContact CB-CZ2 4.46Å; N225-W235 HydrophobicContact CB-CD2 4.43Å; N225-W235 HydrophobicContact CB-CH2 4.22Å; N225-W235 HydrophobicContact CB-CZ2 4.01Å; N225-W235 HydrophobicContact CB-CZ3 4.5Å; V226-W235 HydrophobicContact CB-CZ3 4.45Å; W235-L250 HydrophobicContact CH2-CD1 4.34Å; W235-L250 HydrophobicContact CZ3-CD1 3.78Å; W235-S260 PolarHBondContact N-O 3.39Å; W235-L261 HydrophobicContact CB-CD1 4.26Å; W235-L261 HydrophobicContact CD2-CD1 3.59Å; W235-L261 HydrophobicContact CE3-CD1 3.9Å; W235-L261 HydrophobicContact CG-CD1 3.78Å; W235-L261 HydrophobicContact CZ2-CD1 4.45Å; W235-L261 HydrophobicContact CZ3-CD1 4.45Å; W235-I262 PolarHBondContact O-N 3.39Å
236V98.9Very high98.4Very high0 Ų044 Ų440%025%0.253CS..EExtended strand (participates in β ladder)trans-93.6106.6179.8-175.60000109.4L131 V135 L212 I213 L214 D215 I262L131-V236 HydrophobicContact CB-CG1 4.41Å; L131-V236 HydrophobicContact CD2-CG1 3.55Å; V135-V236 HydrophobicContact CG1-CG1 3.7Å; V135-V236 HydrophobicContact CG1-CG2 3.99Å; L212-V236 HydrophobicContact CD1-CG2 3.67Å; I213-V236 PolarHBondContact O-N 3.13Å; L214-V236 HydrophobicContact CD2-CB 4.06Å; L214-V236 HydrophobicContact CD2-CG2 4.41Å; D215-V236 PolarHBondContact N-O 2.78Å; V236-I262 CarbonylContact C-O 3.36Å; V236-I262 VanDerWaalsContact CA-O 3.26Å; V236-I262 WeakPolarHBondContact CA-O 3.37Å
237L98.9Very high98.3Very high32 Ų3251 Ų5117%0.16829%0.29CS..EExtended strand (participates in β ladder)trans-95.7119.1178.5-179.368.8000110.3D215 G239 L240 L261 I262 T263 S264D215-L237 HydrophobicContact CB-CD1 4.2Å; D215-L237 WeakPolarHBondContact O-CA 3.37Å; L237-G239 WeakPolarHBondContact CD1-O 3.3Å; L237-L240 HydrophobicContact CD1-CD2 4.11Å; L237-L240 HydrophobicContact CD2-CD2 4.14Å; L237-L240 HydrophobicContact CG-CD2 4.37Å; L237-L261 HydrophobicContact CB-CD1 3.98Å; L237-L261 HydrophobicContact CD2-CD1 4.48Å; L237-I262 PolarHBondContact N-O 3.36Å; L237-T263 HydrophobicContact CB-CG2 4.34Å; L237-T263 HydrophobicContact CD2-CG2 4.36Å; L237-T263 VanDerWaalsContact O-CA 3.28Å; L237-T263 WeakPolarHBondContact O-CA 3.38Å; L237-S264 PolarHBondContact O-N 3.04Å
238Y98.7Very high98.2Very high41 Ų4150 Ų5016%0.16130%0.295CS..  trans-137.15.1-175.576.6-80.2000114.2T127 L131 V153 L214 D215 C216T127-Y238 HydrophobicContact CG2-CD2 4.39Å; T127-Y238 HydrophobicContact CG2-CE2 4.49Å; L131-Y238 HydrophobicContact CD1-CD1 3.58Å; L131-Y238 HydrophobicContact CD1-CD2 3.74Å; L131-Y238 HydrophobicContact CD1-CE1 3.67Å; L131-Y238 HydrophobicContact CD1-CE2 3.83Å; L131-Y238 HydrophobicContact CD1-CG 3.6Å; L131-Y238 HydrophobicContact CD2-CD1 4.26Å; L131-Y238 HydrophobicContact CD2-CG 3.98Å; L131-Y238 HydrophobicContact CG-CG 4.46Å; V153-Y238 HydrophobicContact CB-CE2 4.41Å; V153-Y238 HydrophobicContact CG1-CE2 4.01Å; V153-Y238 WeakPolarHBondContact CG1-OH 3.45Å; V153-Y238 HydrophobicContact CG2-CE2 4.38Å; L214-Y238 HydrophobicContact CB-CE1 4.24Å; D215-Y238 VanDerWaalsContact O-CD1 3.23Å; D215-Y238 WeakPolarHBondContact O-CD1 3.36Å; D215-Y238 PolarHBondContact O-N 2.96Å; C216-Y238 HydrophobicContact CB-CD1 4.31Å; C216-Y238 HydrophobicContact CB-CD2 4.44Å; C216-Y238 HydrophobicContact CB-CE1 3.75Å; C216-Y238 HydrophobicContact CB-CE2 3.9Å
239G97.8Very high98.2Very high19 Ų1953.6 Ų53.620%0.19632%0.318CS..  trans-160.2157.8175.300000110.9D215 C216 L237D215-G239 PolarHBondContact O-N 2.8Å; C216-G239 CarbonylContact C-O 3.47Å; C216-G239 WeakPolarHBondContact CA-O 3.5Å; C216-G239 CarbonylContact O-C 3.59Å; L237-G239 WeakPolarHBondContact CD1-O 3.3Å
240L98Very high98.2Very high93 Ų9354.6 Ų54.649%0.48732%0.324SS..  trans-128.836.3-173.6-59.6172.5000110.9C216 I217 L237 G242 G243 A244C216-L240 PolarHBondContact O-N 2.67Å; I217-L240 CarbonylContact O-C 3.58Å; L237-L240 HydrophobicContact CD1-CD2 4.11Å; L237-L240 HydrophobicContact CD2-CD2 4.14Å; L237-L240 HydrophobicContact CG-CD2 4.37Å; L240-G242 PolarHBondContact O-N 3.17Å; L240-G242 VanDerWaalsContact O-N 3.13Å; L240-G243 PolarHBondContact O-N 3.16Å; L240-A244 HydrophobicContact CD1-CB 3.89Å
241M96.6Very high98.2Very high93 Ų9361 Ų6146%0.45836%0.356SS..THydrogen-bonded Turntrans-60-26.2-174.9-68.9179.758.200113.3R41 C216 I217R41-M241 HydrophobicContact CG-SD 4.46Å; C216-M241 WeakPolarHBondContact O-CB 3.49Å; C216-M241 WeakPolarHBondContact O-CG 3.44Å; C216-M241 PolarHBondContact O-N 2.8Å; I217-M241 HydrophobicContact CD1-CB 4.28Å; I217-M241 PolarHBondContact O-N 3.39Å
242G97.1Very high98.2Very high25 Ų2559.5 Ų59.526%0.25835%0.353SS..THydrogen-bonded Turntrans-106.423177.100000113.5I217 S220 L240I217-G242 CarbonylContact O-C 2.97Å; I217-G242 VanDerWaalsContact O-CA 3.24Å; I217-G242 WeakPolarHBondContact O-CA 3.43Å; I217-G242 PolarHBondContact O-N 2.93Å; S220-G242 WeakPolarHBondContact CB-O 3.35Å; S220-G242 PolarHBondContact N-O 3.43Å; S220-G242 WeakPolarHBondContact OG-CA 3.39Å; S220-G242 PolarHBondContact OG-O 2.79Å; L240-G242 PolarHBondContact O-N 3.17Å; L240-G242 VanDerWaalsContact O-N 3.13Å
243G97.6Very high98.2Very high32 Ų3257.9 Ų57.933%0.3334%0.342SS..  trans103.8159175.800000114.5G219 L240G219-G243 WeakPolarHBondContact CA-O 3.2Å; G219-G243 PolarHBondContact N-O 3.44Å; L240-G243 PolarHBondContact O-N 3.16Å
244A96.8Very high98.2Very high64 Ų6458.9 Ų58.953%0.52935%0.347SS..SBendtrans-101-22.2178.900000113.5L240L240-A244 HydrophobicContact CD1-CB 3.89Å
245D98Very high98.2Very high146 Ų14663.2 Ų63.278%0.78137%0.373SS*.  trans-78.6143.6-171.9-61.5-60.5000112.7
246I98.3Very high98.2Very high75 Ų7569.7 Ų69.739%0.38540%0.403SS..  trans-118.5121.6176.1-56-62.8000108.1W222 L250W222-I246 HydrophobicContact CB-CD1 3.51Å; W222-I246 HydrophobicContact CD2-CD1 4.28Å; W222-I246 HydrophobicContact CD2-CG2 4Å; W222-I246 HydrophobicContact CE3-CG2 4.47Å; W222-I246 HydrophobicContact CG-CD1 3.53Å; W222-I246 HydrophobicContact CG-CG2 4.29Å; W222-I246 HydrophobicContact CZ2-CG2 4.26Å; I246-L250 HydrophobicContact CD1-CD2 4.43Å; I246-L250 HydrophobicContact CG1-CD2 4.19Å; I246-L250 HydrophobicContact CG2-CB 3.79Å; I246-L250 HydrophobicContact CG2-CD2 3.96Å
247N97.3Very high98.2Very high147 Ų14772.1 Ų72.179%0.78641%0.414SS*.  trans-121.896.9174.1-174.23.5000110W222W222-N247 WeakPolarHBondContact CZ2-O 3.13Å
248G97.9Very high98.2Very high42 Ų4277 Ų7743%0.43343%0.43SS..SBendtrans146-173.4177.500000113.6L250G248-L250 PolarHBondContact O-N 2.78Å
249P98.3Very high98.2Very high77 Ų7775.7 Ų75.750%0.543%0.429SS..  trans-83.750.1-167.935.3-39000113.7L251 S252 K253P249-L251 PolarHBondContact O-N 2.9Å; P249-S252 PolarHBondContact O-N 3.1Å; P249-S252 VanDerWaalsContact O-N 3.16Å; P249-K253 PolarHBondContact O-N 2.81Å
250L98.7Very high98.2Very high21 Ų2177.6 Ų77.611%0.1144%0.439CS..Hα-helixtrans-51.4-50.3-177.7170.861.2000112.5W222 W235 I246 G248 S252 K253 L254W222-L250 HydrophobicContact CE3-CB 3.97Å; W222-L250 HydrophobicContact CE3-CD1 3.83Å; W222-L250 HydrophobicContact CE3-CG 4.41Å; W222-L250 HydrophobicContact CH2-CB 4.34Å; W222-L250 HydrophobicContact CZ3-CB 3.75Å; W222-L250 HydrophobicContact CZ3-CD1 4.17Å; W235-L250 HydrophobicContact CH2-CD1 4.34Å; W235-L250 HydrophobicContact CZ3-CD1 3.78Å; I246-L250 HydrophobicContact CD1-CD2 4.43Å; I246-L250 HydrophobicContact CG1-CD2 4.19Å; I246-L250 HydrophobicContact CG2-CB 3.79Å; I246-L250 HydrophobicContact CG2-CD2 3.96Å; G248-L250 PolarHBondContact O-N 2.78Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 2.79Å; L250-K253 PolarHBondContact O-N 2.93Å; L250-L254 HydrophobicContact CD1-CB 4.43Å; L250-L254 VanDerWaalsContact O-CB 3.28Å; L250-L254 WeakPolarHBondContact O-CB 3.4Å; L250-L254 PolarHBondContact O-N 3.36Å
251L98.8Very high98.3Very high142 Ų14276.6 Ų76.674%0.74343%0.434SS*.Hα-helixtrans-61.2-40.1-177.5-63.1-178.9000112.2P249 L255P249-L251 PolarHBondContact O-N 2.9Å; L251-L255 WeakPolarHBondContact O-CB 3.24Å; L251-L255 PolarHBondContact O-N 2.88Å
252S98.8Very high98.4Very high62 Ų6274.8 Ų74.843%0.43443%0.426SS..Hα-helixtrans-63.7-49.7176.5-178.80000110.9P249 L250 L254 L255 H256P249-S252 PolarHBondContact O-N 3.1Å; P249-S252 VanDerWaalsContact O-N 3.16Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 2.79Å; S252-L254 PolarHBondContact O-N 3.01Å; S252-L255 PolarHBondContact O-N 2.9Å; S252-H256 PolarHBondContact O-N 2.76Å; S252-H256 VanDerWaalsContact O-N 3.12Å; S252-H256 PolarHBondContact O-ND1 3.12Å
253K98.8Very high98.5Very high57 Ų5778.4 Ų78.425%0.24844%0.443CS..Hα-helixtrans-63.4-44-179.9-69.2-171.1172.1-168.90112W222 E223 V226 N227 P249 L250 H256 K257W222-K253 HydrophobicContact CZ3-CD 4.35Å; E223-K253 IonicContact OE2-NZ 2.72Å; E223-K253 PolarHBondContact OE2-NZ 2.89Å; V226-K253 HydrophobicContact CB-CB 4.44Å; V226-K253 HydrophobicContact CG1-CB 3.86Å; V226-K253 HydrophobicContact CG1-CD 3.64Å; V226-K253 HydrophobicContact CG1-CG 4.42Å; V226-K253 HydrophobicContact CG2-CB 3.67Å; N227-K253 PolarHBondContact OD1-NZ 3.39Å; N227-K253 VanDerWaalsContact OD1-NZ 3.11Å; P249-K253 PolarHBondContact O-N 2.81Å; L250-K253 PolarHBondContact O-N 2.93Å; K253-H256 PolarHBondContact O-N 2.78Å; K253-K257 WeakPolarHBondContact O-CG 3.5Å; K253-K257 PolarHBondContact O-N 2.92Å
254L98.9Very high98.5Very high20 Ų2077.2 Ų77.211%0.10543%0.43CS..Hα-helixtrans-66.9-40.4-179.5-170.967.8000111.5V226 L229 L250 S252 H256 K257 R258 G259 L261V226-L254 HydrophobicContact CG2-CB 4.2Å; V226-L254 HydrophobicContact CG2-CD1 4.26Å; L229-L254 HydrophobicContact CD2-CD1 3.99Å; L250-L254 HydrophobicContact CD1-CB 4.43Å; L250-L254 VanDerWaalsContact O-CB 3.28Å; L250-L254 WeakPolarHBondContact O-CB 3.4Å; L250-L254 PolarHBondContact O-N 3.36Å; S252-L254 PolarHBondContact O-N 3.01Å; L254-H256 VanDerWaalsContact C-N 3.34Å; L254-H256 PolarHBondContact O-N 3.19Å; L254-K257 CarbonylContact O-C 3.4Å; L254-K257 PolarHBondContact O-N 3.13Å; L254-K257 VanDerWaalsContact O-N 3.09Å; L254-R258 PolarHBondContact O-N 2.85Å; L254-R258 VanDerWaalsContact O-N 3.12Å; L254-G259 PolarHBondContact O-N 2.87Å; L254-L261 HydrophobicContact CD2-CB 4.02Å
255L98.8Very high98.6Very high134 Ų13478.4 Ų78.470%0.70243%0.427SS*.Hα-helixtrans-60.5-42.6175.5-178.464.1000111.6L251 S252 K257 R258L251-L255 WeakPolarHBondContact O-CB 3.24Å; L251-L255 PolarHBondContact O-N 2.88Å; S252-L255 PolarHBondContact O-N 2.9Å; L255-K257 PolarHBondContact O-N 3Å; L255-R258 PolarHBondContact O-N 2.86Å
256H98.6Very high98.6Very high141 Ų14171.8 Ų71.865%0.65339%0.391SS*.Hα-helixtrans-60.9-30.7175.4-79.583.8000112.9S252 K253 L254 R258S252-H256 PolarHBondContact O-N 2.76Å; S252-H256 VanDerWaalsContact O-N 3.12Å; S252-H256 PolarHBondContact O-ND1 3.12Å; K253-H256 PolarHBondContact O-N 2.78Å; L254-H256 VanDerWaalsContact C-N 3.34Å; L254-H256 PolarHBondContact O-N 3.19Å; H256-R258 VanDerWaalsContact C-N 3.32Å
257K98.8Very high98.6Very high52 Ų5268.6 Ų68.623%0.22637%0.374CS..THydrogen-bonded Turntrans-82.8-7.9175.1-62.2-65.3-170.21520113.2V226 N227 L229 L231 D232 K253 L254 L255 G259V226-K257 WeakPolarHBondContact O-CE 3.47Å; N227-K257 PolarHBondContact O-NZ 2.79Å; L229-K257 HydrophobicContact CD2-CB 4.46Å; L229-K257 WeakPolarHBondContact O-CD 3.29Å; L229-K257 WeakPolarHBondContact O-CE 3.31Å; L229-K257 PolarHBondContact O-NZ 3.37Å; L231-K257 CarbonylContact C-O 3.56Å; L231-K257 VanDerWaalsContact CA-O 3.32Å; L231-K257 WeakPolarHBondContact CA-O 3.42Å; D232-K257 PolarHBondContact N-O 3.49Å; K253-K257 WeakPolarHBondContact O-CG 3.5Å; K253-K257 PolarHBondContact O-N 2.92Å; L254-K257 CarbonylContact O-C 3.4Å; L254-K257 PolarHBondContact O-N 3.13Å; L254-K257 VanDerWaalsContact O-N 3.09Å; L255-K257 PolarHBondContact O-N 3Å; K257-G259 PolarHBondContact O-N 2.81Å; K257-G259 VanDerWaalsContact O-N 3.16Å
258R98.9Very high98.6Very high133 Ų13365 Ų6550%0.50236%0.361SS..THydrogen-bonded Turntrans49.632.6-164.3-54.6-173.9-61.1-89.54.8111.4D232 L254 L255 H256D232-R258 WeakPolarHBondContact OD1-CB 3.4Å; D232-R258 IonicContact OD1-CZ 2.91Å; D232-R258 IonicContact OD1-NE 3.9Å; D232-R258 PolarHBondContact OD1-NE 3.12Å; D232-R258 IonicContact OD1-NH2 3.08Å; D232-R258 IonicContact OD2-CZ 3.53Å; D232-R258 IonicContact OD2-NE 3.77Å; D232-R258 IonicContact OD2-NH2 3.41Å; D232-R258 PolarHBondContact OD2-NH2 2.89Å; L254-R258 PolarHBondContact O-N 2.85Å; L254-R258 VanDerWaalsContact O-N 3.12Å; L255-R258 PolarHBondContact O-N 2.86Å; H256-R258 VanDerWaalsContact C-N 3.32Å
259G98.9Very high98.6Very high15 Ų1567.7 Ų67.716%0.15536%0.358CS..  trans-76151-170.600000111.6G233 L254 K257G233-G259 WeakPolarHBondContact O-CA 3.45Å; L254-G259 PolarHBondContact O-N 2.87Å; K257-G259 PolarHBondContact O-N 2.81Å; K257-G259 VanDerWaalsContact O-N 3.16Å
260S98.9Very high98.6Very high58 Ų5868.8 Ų68.841%0.40636%0.36SS..EExtended strand (participates in β ladder)trans-105.3121.4170.7-64.90000109.8G233 W235G233-S260 PolarHBondContact O-N 2.8Å; W235-S260 PolarHBondContact N-O 3.39Å
261L98.9Very high98.5Very high72 Ų7272.2 Ų72.238%0.37738%0.378SS..EExtended strand (participates in β ladder)trans-94.5109.3166.517861.6000108.4W235 L237 L254W235-L261 HydrophobicContact CB-CD1 4.26Å; W235-L261 HydrophobicContact CD2-CD1 3.59Å; W235-L261 HydrophobicContact CE3-CD1 3.9Å; W235-L261 HydrophobicContact CG-CD1 3.78Å; W235-L261 HydrophobicContact CZ2-CD1 4.45Å; W235-L261 HydrophobicContact CZ3-CD1 4.45Å; L237-L261 HydrophobicContact CB-CD1 3.98Å; L237-L261 HydrophobicContact CD2-CD1 4.48Å; L254-L261 HydrophobicContact CD2-CB 4.02Å
262I98.9Very high98.5Very high55 Ų5573.4 Ų73.428%0.28238%0.377SS..EExtended strand (participates in β ladder)trans-113.5128.8-175.9-50171.3000107.7V135 R234 W235 V236 L237V135-I262 HydrophobicContact CG1-CB 4.31Å; V135-I262 HydrophobicContact CG1-CG2 3.52Å; R234-I262 HydrophobicContact CB-CD1 4.34Å; R234-I262 HydrophobicContact CG-CD1 4.31Å; W235-I262 PolarHBondContact O-N 3.39Å; V236-I262 CarbonylContact C-O 3.36Å; V236-I262 VanDerWaalsContact CA-O 3.26Å; V236-I262 WeakPolarHBondContact CA-O 3.37Å; L237-I262 PolarHBondContact N-O 3.36Å
263T98.8Very high98.5Very high102 Ų10272 Ų7263%0.62636%0.363SS*.EExtended strand (participates in β ladder)trans-102.3145.2177.860.60000110.8L237L237-T263 HydrophobicContact CB-CG2 4.34Å; L237-T263 HydrophobicContact CD2-CG2 4.36Å; L237-T263 VanDerWaalsContact O-CA 3.28Å; L237-T263 WeakPolarHBondContact O-CA 3.38Å
264S98.8Very high98.5Very high6 Ų669.8 Ų69.84%0.04235%0.353CS..  trans-137.8139.7176.3-168.60000112.4Q130 L237Q130-S264 PolarHBondContact OE1-OG 3.1Å; L237-S264 PolarHBondContact O-N 3.04Å
265L98.4Very high98.5Very high89 Ų8972.8 Ų72.847%0.46637%0.366SS..  trans-133.1145.3167-67.6174.7000108.5R269L265-R269 VanDerWaalsContact O-CG 3.31Å; L265-R269 WeakPolarHBondContact O-CG 3.25Å; L265-R269 PolarHBondContact O-NE 2.93Å
266L98.6Very high98.5Very high8 Ų870.4 Ų70.44%0.04235%0.353CS..SBendtrans-106.8-49.4177.7-178.455.5000112.4L89 L126 T127 S268 R269 Y273 K274 L277L89-L266 HydrophobicContact CD1-CD2 4.07Å; L89-L266 HydrophobicContact CD2-CD1 4.19Å; L89-L266 HydrophobicContact CD2-CD2 3.9Å; L89-L266 HydrophobicContact CD2-CG 4.12Å; L126-L266 HydrophobicContact CB-CD2 4.32Å; T127-L266 WeakPolarHBondContact OG1-CD2 3.48Å; L266-S268 VanDerWaalsContact C-N 3.27Å; L266-S268 PolarHBondContact O-N 3.16Å; L266-S268 VanDerWaalsContact O-N 3.16Å; L266-R269 VanDerWaalsContact O-CB 3.29Å; L266-R269 WeakPolarHBondContact O-CB 3.24Å; L266-R269 WeakPolarHBondContact O-CG 3.34Å; L266-R269 PolarHBondContact O-N 3.24Å; L266-Y273 HydrophobicContact CD1-CE1 4.35Å; L266-K274 HydrophobicContact CD1-CG 4.48Å; L266-K274 WeakPolarHBondContact O-CE 3.23Å; L266-L277 HydrophobicContact CD1-CD2 3.46Å; L266-L277 VanDerWaalsContact CD1-CD2 3.46Å; L266-L277 HydrophobicContact CD2-CD2 4.19Å; L266-L277 HydrophobicContact CG-CD2 4.49Å
267R98.3Very high98.5Very high7 Ų763.7 Ų63.73%0.02632%0.322CS..THydrogen-bonded Turntrans-53.9-41.1-173.9-175.8168.5176.8-170.512.2113.6Q46 Y51 P54 L63 P91 R269 K274Q46-R267 VanDerWaalsContact OE1-CZ 3.24Å; Y51-R267 HydrophobicContact CE1-CG 4.5Å; P54-R267 HydrophobicContact CG-CG 4.03Å; P54-R267 WeakPolarHBondContact CG-O 3.46Å; L63-R267 HydrophobicContact CD2-CG 4.39Å; P91-R267 VanDerWaalsContact O-CZ 3.28Å; P91-R267 PolarHBondContact O-NE 3.49Å; P91-R267 PolarHBondContact O-NH2 3.06Å; R267-R269 VanDerWaalsContact C-N 3.34Å; R267-R269 PolarHBondContact O-N 3.43Å; R267-K274 PolarHBondContact O-NZ 3.23Å
268S96.8Very high98.5Very high72 Ų7261.3 Ų61.350%0.50331%0.311SS..THydrogen-bonded Turntrans-81.4-3.3-178.956.50000115.1L266L266-S268 VanDerWaalsContact C-N 3.27Å; L266-S268 PolarHBondContact O-N 3.16Å; L266-S268 VanDerWaalsContact O-N 3.16Å
269R98.4Very high98.5Very high99 Ų9958.4 Ų58.437%0.37431%0.306SS..SBendtrans-68.3150.1177.2-68.3-75.3-172.3164.31.8111.4L265 L266 R267 Y273 K274L265-R269 VanDerWaalsContact O-CG 3.31Å; L265-R269 WeakPolarHBondContact O-CG 3.25Å; L265-R269 PolarHBondContact O-NE 2.93Å; L266-R269 VanDerWaalsContact O-CB 3.29Å; L266-R269 WeakPolarHBondContact O-CB 3.24Å; L266-R269 WeakPolarHBondContact O-CG 3.34Å; L266-R269 PolarHBondContact O-N 3.24Å; R267-R269 VanDerWaalsContact C-N 3.34Å; R267-R269 PolarHBondContact O-N 3.43Å; R269-Y273 HydrophobicContact CB-CD1 3.69Å; R269-Y273 HydrophobicContact CB-CE1 4.49Å; R269-Y273 HydrophobicContact CB-CG 4.17Å; R269-Y273 HydrophobicContact CG-CD1 3.54Å; R269-Y273 HydrophobicContact CG-CE1 3.91Å; R269-Y273 HydrophobicContact CG-CG 4.12Å; R269-K274 HydrophobicContact CB-CG 4.23Å; R269-K274 WeakPolarHBondContact O-CE 3.26Å; R269-K274 PolarHBondContact O-NZ 2.78Å
270D98.2Very high98.5Very high99 Ų9958.5 Ų58.553%0.52931%0.305SS..  trans-68.5166.2173.672.2-8.3000112K272 Y273 K274D270-K272 VanDerWaalsContact C-N 3.27Å; D270-K272 PolarHBondContact O-N 3.43Å; D270-Y273 PolarHBondContact O-N 3.41Å; D270-Y273 WeakPolarHBondContact OD1-CB 3.47Å; D270-Y273 PolarHBondContact OD1-N 3.06Å; D270-K274 WeakPolarHBondContact O-CG 3.39Å; D270-K274 PolarHBondContact O-N 3.48Å; D270-K274 VanDerWaalsContact O-N 3.12Å
271N97Very high98.5Very high93 Ų9355.8 Ų55.850%0.49729%0.286SS..Hα-helixtrans-64.1-33.4-178.7-72.5-13.8000112.2Y273 K274 Q275N271-Y273 PolarHBondContact O-N 2.89Å; N271-K274 PolarHBondContact O-N 3.32Å; N271-Q275 VanDerWaalsContact O-CB 3.3Å; N271-Q275 WeakPolarHBondContact O-CB 3.43Å; N271-Q275 PolarHBondContact O-N 3.46Å
272K98.3Very high98.5Very high167 Ų16754.3 Ų54.373%0.72628%0.28SS*.Hα-helixtrans-61.4-46.5178.3-175.7178.6179.8179.10111.3D270 M276D270-K272 VanDerWaalsContact C-N 3.27Å; D270-K272 PolarHBondContact O-N 3.43Å; K272-M276 PolarHBondContact O-N 2.81Å; K272-M276 VanDerWaalsContact O-N 3.1Å
273Y98.8Very high98.4Very high34 Ų3458.8 Ų58.813%0.13330%0.3CS..Hα-helixtrans-65.4-45.2176.6-177.7-85.7000111.6Q130 L266 R269 D270 N271 Q275 M276 L277Q130-Y273 WeakPolarHBondContact CG-OH 3.29Å; Q130-Y273 PolarHBondContact NE2-OH 3.49Å; L266-Y273 HydrophobicContact CD1-CE1 4.35Å; R269-Y273 HydrophobicContact CB-CD1 3.69Å; R269-Y273 HydrophobicContact CB-CE1 4.49Å; R269-Y273 HydrophobicContact CB-CG 4.17Å; R269-Y273 HydrophobicContact CG-CD1 3.54Å; R269-Y273 HydrophobicContact CG-CE1 3.91Å; R269-Y273 HydrophobicContact CG-CG 4.12Å; D270-Y273 PolarHBondContact O-N 3.41Å; D270-Y273 WeakPolarHBondContact OD1-CB 3.47Å; D270-Y273 PolarHBondContact OD1-N 3.06Å; N271-Y273 PolarHBondContact O-N 2.89Å; Y273-Q275 PolarHBondContact O-N 3.24Å; Y273-M276 HydrophobicContact CD2-CE 3.76Å; Y273-M276 HydrophobicContact CE2-CE 3.7Å; Y273-M276 HydrophobicContact CG-CE 4.38Å; Y273-M276 PolarHBondContact O-N 3.31Å; Y273-L277 HydrophobicContact CE1-CB 4.46Å; Y273-L277 HydrophobicContact CE1-CD2 4.4Å; Y273-L277 WeakPolarHBondContact O-CB 3.43Å; Y273-L277 PolarHBondContact O-N 3.31Å
274K98.8Very high98.4Very high10 Ų1058.7 Ų58.74%0.04329%0.292CS..Hα-helixtrans-62-42.6179.8-72172.6175.2157.60111.9L89 L105 L266 R267 R269 D270 N271 L277 V278L89-K274 HydrophobicContact CD2-CG 4.41Å; L105-K274 HydrophobicContact CD1-CB 4.28Å; L105-K274 HydrophobicContact CD1-CD 4.37Å; L105-K274 HydrophobicContact CD2-CB 3.61Å; L266-K274 HydrophobicContact CD1-CG 4.48Å; L266-K274 WeakPolarHBondContact O-CE 3.23Å; R267-K274 PolarHBondContact O-NZ 3.23Å; R269-K274 HydrophobicContact CB-CG 4.23Å; R269-K274 WeakPolarHBondContact O-CE 3.26Å; R269-K274 PolarHBondContact O-NZ 2.78Å; D270-K274 WeakPolarHBondContact O-CG 3.39Å; D270-K274 PolarHBondContact O-N 3.48Å; D270-K274 VanDerWaalsContact O-N 3.12Å; N271-K274 PolarHBondContact O-N 3.32Å; K274-L277 PolarHBondContact O-N 3.35Å; K274-V278 WeakPolarHBondContact O-CB 3.32Å; K274-V278 WeakPolarHBondContact O-CG2 3.39Å; K274-V278 PolarHBondContact O-N 2.79Å
275Q98.5Very high98.4Very high82 Ų8258.5 Ų58.538%0.38329%0.291SS..Hα-helixtrans-61.2-46174.8175.7172.829.400111.5L105 N271 Y273 L277 V278 N279L105-Q275 HydrophobicContact CD2-CB 4.48Å; N271-Q275 VanDerWaalsContact O-CB 3.3Å; N271-Q275 WeakPolarHBondContact O-CB 3.43Å; N271-Q275 PolarHBondContact O-N 3.46Å; Y273-Q275 PolarHBondContact O-N 3.24Å; Q275-L277 VanDerWaalsContact C-N 3.32Å; Q275-L277 PolarHBondContact O-N 2.87Å; Q275-V278 PolarHBondContact O-N 3.34Å; Q275-N279 VanDerWaalsContact O-CB 3.32Å; Q275-N279 WeakPolarHBondContact O-CB 3.49Å; Q275-N279 PolarHBondContact O-N 2.85Å; Q275-N279 PolarHBondContact O-OD1 2.83Å
276M98.8Very high98.4Very high85 Ų8554.7 Ų54.742%0.41927%0.271SS..Hα-helixtrans-59.4-43.8176.1176.2-82.5-61.600111.7L134 K272 Y273 A280L134-M276 HydrophobicContact CD2-CE 3.82Å; L134-M276 HydrophobicContact CD2-SD 3.88Å; K272-M276 PolarHBondContact O-N 2.81Å; K272-M276 VanDerWaalsContact O-N 3.1Å; Y273-M276 HydrophobicContact CD2-CE 3.76Å; Y273-M276 HydrophobicContact CE2-CE 3.7Å; Y273-M276 HydrophobicContact CG-CE 4.38Å; Y273-M276 PolarHBondContact O-N 3.31Å; M276-A280 WeakPolarHBondContact O-CB 3.28Å; M276-A280 PolarHBondContact O-N 2.9Å
277L98.9Very high98.3Very high0 Ų057.7 Ų57.70%029%0.291CS..Hα-helixtrans-63.6-47.9177.7178.569.3000112L126 F129 Q130 L134 L266 Y273 K274 Q275 A280 F281L126-L277 HydrophobicContact CB-CD2 4.11Å; L126-L277 HydrophobicContact CD2-CD2 4.43Å; L126-L277 HydrophobicContact CD2-CG 4.06Å; F129-L277 HydrophobicContact CD1-CD1 3.64Å; F129-L277 HydrophobicContact CE1-CD1 3.99Å; Q130-L277 HydrophobicContact CB-CD1 3.87Å; Q130-L277 HydrophobicContact CB-CD2 4.25Å; Q130-L277 HydrophobicContact CG-CD1 4.41Å; L134-L277 HydrophobicContact CD2-CD1 3.82Å; L266-L277 HydrophobicContact CD1-CD2 3.46Å; L266-L277 VanDerWaalsContact CD1-CD2 3.46Å; L266-L277 HydrophobicContact CD2-CD2 4.19Å; L266-L277 HydrophobicContact CG-CD2 4.49Å; Y273-L277 HydrophobicContact CE1-CB 4.46Å; Y273-L277 HydrophobicContact CE1-CD2 4.4Å; Y273-L277 WeakPolarHBondContact O-CB 3.43Å; Y273-L277 PolarHBondContact O-N 3.31Å; K274-L277 PolarHBondContact O-N 3.35Å; Q275-L277 VanDerWaalsContact C-N 3.32Å; Q275-L277 PolarHBondContact O-N 2.87Å; L277-A280 PolarHBondContact O-N 2.83Å; L277-F281 VanDerWaalsContact O-CB 3.31Å; L277-F281 WeakPolarHBondContact O-CB 3.49Å; L277-F281 PolarHBondContact O-N 2.68Å
278V98.8Very high98.3Very high1 Ų160.2 Ų60.21%0.00630%0.303CS..Hα-helixtrans-63.5-41.8179.51690000110.8L105 M107 L126 K274 Q275 F281 T282L105-V278 HydrophobicContact CD2-CB 4.49Å; L105-V278 HydrophobicContact CD2-CG2 4Å; M107-V278 HydrophobicContact CG-CG1 3.65Å; M107-V278 HydrophobicContact SD-CG1 4.11Å; L126-V278 HydrophobicContact CD1-CG2 3.9Å; L126-V278 HydrophobicContact CD2-CG2 4.14Å; K274-V278 WeakPolarHBondContact O-CB 3.32Å; K274-V278 WeakPolarHBondContact O-CG2 3.39Å; K274-V278 PolarHBondContact O-N 2.79Å; Q275-V278 PolarHBondContact O-N 3.34Å; V278-F281 PolarHBondContact O-N 2.9Å; V278-T282 VanDerWaalsContact O-CB 3.27Å; V278-T282 WeakPolarHBondContact O-CB 3.03Å; V278-T282 PolarHBondContact O-N 2.98Å; V278-T282 PolarHBondContact O-OG1 3.05Å
279N98.6Very high98.4Very high73 Ų7356.8 Ų56.839%0.3928%0.279SS..Hα-helixtrans-61.3-51.1176.2-71.4-6.4000111.1Q275 F281 T282 E283Q275-N279 VanDerWaalsContact O-CB 3.32Å; Q275-N279 WeakPolarHBondContact O-CB 3.49Å; Q275-N279 PolarHBondContact O-N 2.85Å; Q275-N279 PolarHBondContact O-OD1 2.83Å; N279-F281 VanDerWaalsContact C-N 3.29Å; N279-F281 PolarHBondContact O-N 2.95Å; N279-T282 PolarHBondContact O-N 3.35Å; N279-E283 WeakPolarHBondContact O-CG 3.33Å; N279-E283 PolarHBondContact O-N 3.04Å
280A98.8Very high98.2Very high17 Ų1754.2 Ų54.214%0.1428%0.276CS..Hα-helixtrans-60.4-39.8178.800000112.1F129 M276 L277 Q284F129-A280 HydrophobicContact CE1-CB 3.9Å; F129-A280 HydrophobicContact CZ-CB 4.07Å; M276-A280 WeakPolarHBondContact O-CB 3.28Å; M276-A280 PolarHBondContact O-N 2.9Å; L277-A280 PolarHBondContact O-N 2.83Å; A280-Q284 VanDerWaalsContact O-CB 3.3Å; A280-Q284 WeakPolarHBondContact O-CB 3.23Å; A280-Q284 WeakPolarHBondContact O-CG 3.46Å; A280-Q284 PolarHBondContact O-N 3Å
281F98.9Very high97.7Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-66-42.8175.5-178.9-91.8000112.5M107 I121 W125 L126 F129 L277 V278 N279 E283 I285 L286 F289M107-F281 HydrophobicContact SD-CD1 3.79Å; M107-F281 HydrophobicContact SD-CE1 4.06Å; I121-F281 HydrophobicContact CG2-CE1 4.24Å; I121-F281 HydrophobicContact CG2-CZ 4.04Å; W125-F281 HydrophobicContact CB-CE2 3.69Å; W125-F281 HydrophobicContact CB-CZ 3.66Å; L126-F281 HydrophobicContact CD2-CB 3.36Å; L126-F281 HydrophobicContact CD2-CD1 3.83Å; L126-F281 HydrophobicContact CD2-CD2 3.85Å; L126-F281 HydrophobicContact CD2-CG 3.4Å; L126-F281 VanDerWaalsContact CD2-CG 3.4Å; L126-F281 HydrophobicContact CG-CD1 4.45Å; L126-F281 HydrophobicContact CG-CD2 4.44Å; L126-F281 HydrophobicContact CG-CG 4.27Å; F129-F281 HydrophobicContact CB-CD2 3.87Å; F129-F281 HydrophobicContact CB-CE2 4.35Å; F129-F281 HydrophobicContact CD1-CB 4.08Å; F129-F281 HydrophobicContact CD1-CD2 4.11Å; F129-F281 HydrophobicContact CE1-CB 4.26Å; F129-F281 AromaticContact CG-CD2 3.98Å; F129-F281 HydrophobicContact CG-CD2 3.98Å; L277-F281 VanDerWaalsContact O-CB 3.31Å; L277-F281 WeakPolarHBondContact O-CB 3.49Å; L277-F281 PolarHBondContact O-N 2.68Å; V278-F281 PolarHBondContact O-N 2.9Å; N279-F281 VanDerWaalsContact C-N 3.29Å; N279-F281 PolarHBondContact O-N 2.95Å; F281-E283 VanDerWaalsContact C-N 3.29Å; F281-E283 PolarHBondContact O-N 3.36Å; F281-I285 HydrophobicContact CD2-CB 3.66Å; F281-I285 HydrophobicContact CD2-CG1 3.76Å; F281-I285 HydrophobicContact CD2-CG2 3.95Å; F281-I285 HydrophobicContact CE2-CB 3.67Å; F281-I285 HydrophobicContact CE2-CG1 4.12Å; F281-I285 HydrophobicContact CE2-CG2 3.42Å; F281-I285 VanDerWaalsContact CE2-CG2 3.42Å; F281-I285 HydrophobicContact CG-CB 4.14Å; F281-I285 HydrophobicContact CG-CG1 4.39Å; F281-I285 HydrophobicContact CZ-CB 4.16Å; F281-I285 HydrophobicContact CZ-CG2 3.83Å; F281-I285 WeakPolarHBondContact O-CA 3.06Å; F281-I285 WeakPolarHBondContact O-CB 3.28Å; F281-I285 PolarHBondContact O-N 3.24Å; F281-L286 HydrophobicContact CD1-CB 4.43Å; F281-L286 HydrophobicContact CE1-CB 4.31Å; F281-L286 HydrophobicContact CE1-CD1 4.16Å; F281-L286 PolarHBondContact O-N 3.06Å; F281-F289 AromaticContact CZ-CE2 3.97Å; F281-F289 HydrophobicContact CZ-CE2 3.97Å; F281-F289 HydrophobicContact CZ-CZ 4.47Å
282T98.5Very high97Very high42 Ų4256.3 Ų56.326%0.25828%0.283SS..Hα-helixtrans-63.4-37.1179.2-59.30000111.3V278 N279 L286 P287V278-T282 VanDerWaalsContact O-CB 3.27Å; V278-T282 WeakPolarHBondContact O-CB 3.03Å; V278-T282 PolarHBondContact O-N 2.98Å; V278-T282 PolarHBondContact O-OG1 3.05Å; N279-T282 PolarHBondContact O-N 3.35Å; T282-L286 HydrophobicContact CG2-CD2 3.91Å; T282-P287 WeakPolarHBondContact O-CD 3.35Å
283E98.1Very high96.1Very high148 Ų14850.6 Ų50.669%0.69227%0.271SS*.Hα-helixtrans-76.1-46177.5-70.9175.3-178.200112.8N279 F281N279-E283 WeakPolarHBondContact O-CG 3.33Å; N279-E283 PolarHBondContact O-N 3.04Å; F281-E283 VanDerWaalsContact C-N 3.29Å; F281-E283 PolarHBondContact O-N 3.36Å
284Q98.1Very high94.9Very high100 Ų10055.2 Ų55.247%0.46731%0.306SS..Hα-helixtrans-96.4-27.8-166.8-62.5174.940.300114A280 H288A280-Q284 VanDerWaalsContact O-CB 3.3Å; A280-Q284 WeakPolarHBondContact O-CB 3.23Å; A280-Q284 WeakPolarHBondContact O-CG 3.46Å; A280-Q284 PolarHBondContact O-N 3Å; Q284-H288 PolarHBondContact O-CD2 3.03Å; Q284-H288 PolarHBondContact O-NE2 2.87Å
285I98.4Very high94.1Very high2 Ų261 Ų611%0.0133%0.333CS..THydrogen-bonded Turntrans-118.1-47.1-166.9-49.5-58.6000111.5F129 L160 M163 F281 P287 H288 F289 L297F129-I285 HydrophobicContact CD2-CD1 3.63Å; F129-I285 HydrophobicContact CD2-CG1 3.51Å; F129-I285 HydrophobicContact CE2-CD1 3.75Å; F129-I285 HydrophobicContact CE2-CG1 3.72Å; F129-I285 HydrophobicContact CG-CG1 4.11Å; F129-I285 HydrophobicContact CZ-CG1 4.46Å; L160-I285 HydrophobicContact CD2-CD1 4.14Å; L160-I285 HydrophobicContact CD2-CG2 3.58Å; M163-I285 HydrophobicContact CE-CD1 3.29Å; M163-I285 HydrophobicContact CE-CG2 4.32Å; F281-I285 HydrophobicContact CD2-CB 3.66Å; F281-I285 HydrophobicContact CD2-CG1 3.76Å; F281-I285 HydrophobicContact CD2-CG2 3.95Å; F281-I285 HydrophobicContact CE2-CB 3.67Å; F281-I285 HydrophobicContact CE2-CG1 4.12Å; F281-I285 HydrophobicContact CE2-CG2 3.42Å; F281-I285 VanDerWaalsContact CE2-CG2 3.42Å; F281-I285 HydrophobicContact CG-CB 4.14Å; F281-I285 HydrophobicContact CG-CG1 4.39Å; F281-I285 HydrophobicContact CZ-CB 4.16Å; F281-I285 HydrophobicContact CZ-CG2 3.83Å; F281-I285 WeakPolarHBondContact O-CA 3.06Å; F281-I285 WeakPolarHBondContact O-CB 3.28Å; F281-I285 PolarHBondContact O-N 3.24Å; I285-P287 VanDerWaalsContact C-N 3.35Å; I285-H288 WeakPolarHBondContact O-CB 3.22Å; I285-H288 PolarHBondContact O-N 3.34Å; I285-F289 HydrophobicContact CG2-CE2 4.26Å; I285-L297 HydrophobicContact CG2-CD1 3.57Å
286L98.4Very high94Very high10 Ų1061.5 Ų61.55%0.05233%0.331CS..G310 helixtrans-55.2-38.5-172.7-170.265.4000114.6M87 M107 P108 P110 F281 T282 H288 F289M87-L286 HydrophobicContact CE-CD1 3.3Å; M107-L286 HydrophobicContact CB-CD2 4.22Å; P108-L286 HydrophobicContact CG-CD2 3.67Å; P110-L286 HydrophobicContact CG-CD1 3.72Å; P110-L286 HydrophobicContact CG-CG 4.43Å; F281-L286 HydrophobicContact CD1-CB 4.43Å; F281-L286 HydrophobicContact CE1-CB 4.31Å; F281-L286 HydrophobicContact CE1-CD1 4.16Å; F281-L286 PolarHBondContact O-N 3.06Å; T282-L286 HydrophobicContact CG2-CD2 3.91Å; L286-H288 PolarHBondContact O-N 2.87Å; L286-H288 VanDerWaalsContact O-N 3.16Å; L286-F289 HydrophobicContact CD1-CD2 4.23Å; L286-F289 WeakPolarHBondContact O-CD2 3.39Å; L286-F289 PolarHBondContact O-N 2.91Å
287P97.3Very high93.9Very high70 Ų7057.7 Ų57.746%0.45531%0.312SS..G310 helixtrans-59.6-29178.3-25.836.8000113.4T282 I285 F289 S290 T291T282-P287 WeakPolarHBondContact O-CD 3.35Å; I285-P287 VanDerWaalsContact C-N 3.35Å; P287-F289 PolarHBondContact O-N 3.31Å; P287-S290 PolarHBondContact O-N 3.08Å; P287-T291 PolarHBondContact O-N 3.32Å
288H97.9Very high93.9Very high61 Ų6161.9 Ų61.928%0.28233%0.334SS..G310 helixtrans-74-5.8-176.4-61.1-76.8000114.1M163 Q284 I285 L286 T291 R296 L297M163-H288 HydrophobicContact SD-CB 4.07Å; Q284-H288 PolarHBondContact O-CD2 3.03Å; Q284-H288 PolarHBondContact O-NE2 2.87Å; I285-H288 WeakPolarHBondContact O-CB 3.22Å; I285-H288 PolarHBondContact O-N 3.34Å; L286-H288 PolarHBondContact O-N 2.87Å; L286-H288 VanDerWaalsContact O-N 3.16Å; H288-T291 PolarHBondContact O-OG1 2.83Å; H288-T291 VanDerWaalsContact O-OG1 3.1Å; H288-R296 WeakPolarHBondContact O-CA 3.38Å; H288-L297 HydrophobicContact CB-CD1 3.73Å; H288-L297 HydrophobicContact CB-CG 3.81Å; H288-L297 PolarHBondContact O-N 3.31Å
289F98.1Very high93.9Very high0 Ų062.7 Ų62.70%034%0.339CS..G310 helixtrans-77.1-23.3171.4-76.4-88.6000113.4P110 L113 I121 W125 F281 I285 L286 P287 R296 L297P110-F289 HydrophobicContact CB-CB 3.59Å; P110-F289 HydrophobicContact CG-CB 3.5Å; P110-F289 HydrophobicContact CG-CG 4.09Å; L113-F289 HydrophobicContact CD1-CB 4.32Å; L113-F289 HydrophobicContact CD1-CD1 4.25Å; I121-F289 HydrophobicContact CD1-CD1 3.85Å; I121-F289 HydrophobicContact CD1-CE1 3.7Å; I121-F289 HydrophobicContact CD1-CG 4.36Å; I121-F289 HydrophobicContact CD1-CZ 4.1Å; I121-F289 HydrophobicContact CG1-CE1 3.91Å; I121-F289 HydrophobicContact CG1-CZ 4.17Å; I121-F289 HydrophobicContact CG2-CE1 4.39Å; I121-F289 HydrophobicContact CG2-CE2 4.21Å; I121-F289 HydrophobicContact CG2-CZ 3.79Å; W125-F289 HydrophobicContact CD2-CE1 4.1Å; W125-F289 HydrophobicContact CD2-CE2 4.45Å; W125-F289 AromaticContact CD2-CZ 3.44Å; W125-F289 HydrophobicContact CD2-CZ 3.44Å; W125-F289 VanDerWaalsContact CD2-CZ 3.44Å; W125-F289 AromaticContact CE2-CE1 3.81Å; W125-F289 AromaticContact CE2-CZ 3.66Å; W125-F289 HydrophobicContact CE3-CE1 4.31Å; W125-F289 HydrophobicContact CE3-CE2 4.21Å; W125-F289 AromaticContact CE3-CZ 3.5Å; W125-F289 HydrophobicContact CE3-CZ 3.5Å; W125-F289 VanDerWaalsContact CE3-CZ 3.5Å; W125-F289 AromaticContact CG-CZ 4Å; W125-F289 HydrophobicContact CG-CZ 4Å; W125-F289 AromaticContact CH2-CE1 3.97Å; W125-F289 HydrophobicContact CH2-CE1 3.97Å; W125-F289 AromaticContact CH2-CZ 3.96Å; W125-F289 HydrophobicContact CH2-CZ 3.96Å; W125-F289 AromaticContact CZ2-CE1 3.74Å; W125-F289 HydrophobicContact CZ2-CE1 3.74Å; W125-F289 AromaticContact CZ2-CZ 3.91Å; W125-F289 HydrophobicContact CZ2-CZ 3.91Å; W125-F289 HydrophobicContact CZ3-CE1 4.26Å; W125-F289 HydrophobicContact CZ3-CE2 4.49Å; W125-F289 AromaticContact CZ3-CZ 3.78Å; W125-F289 HydrophobicContact CZ3-CZ 3.78Å; F281-F289 AromaticContact CZ-CE2 3.97Å; F281-F289 HydrophobicContact CZ-CE2 3.97Å; F281-F289 HydrophobicContact CZ-CZ 4.47Å; I285-F289 HydrophobicContact CG2-CE2 4.26Å; L286-F289 HydrophobicContact CD1-CD2 4.23Å; L286-F289 WeakPolarHBondContact O-CD2 3.39Å; L286-F289 PolarHBondContact O-N 2.91Å; P287-F289 PolarHBondContact O-N 3.31Å; F289-R296 PolarHBondContact O-NE 3.32Å; F289-R296 PolarHBondContact O-NH2 3.23Å; F289-L297 HydrophobicContact CD1-CB 3.96Å; F289-L297 WeakPolarHBondContact CD1-O 3.28Å; F289-L297 HydrophobicContact CD2-CB 4.26Å; F289-L297 HydrophobicContact CD2-CD1 4.22Å; F289-L297 HydrophobicContact CE1-CB 4.01Å; F289-L297 HydrophobicContact CE2-CB 4.3Å; F289-L297 HydrophobicContact CE2-CD1 3.97Å; F289-L297 HydrophobicContact CG-CB 4.12Å; F289-L297 HydrophobicContact CZ-CB 4.2Å; F289-L297 HydrophobicContact CZ-CD1 4.39Å
290S94.3Very high93.9Very high45 Ų4559.9 Ų59.932%0.31533%0.325SS..THydrogen-bonded Turntrans-109-8.8179.8-650000113.6P110 E111 P287 E292P110-S290 WeakPolarHBondContact CA-OG 3.44Å; P110-S290 WeakPolarHBondContact CB-OG 3.43Å; E111-S290 PolarHBondContact N-OG 3.29Å; E111-S290 PolarHBondContact O-OG 3.03Å; E111-S290 VanDerWaalsContact O-OG 3.04Å; P287-S290 PolarHBondContact O-N 3.08Å; S290-E292 PolarHBondContact O-N 3.4Å
291T89.3Confident93.8Very high48 Ų4861.5 Ų61.529%0.29433%0.331SS..  trans-60.3136.3174.7510000110.8P287 H288 R296P287-T291 PolarHBondContact O-N 3.32Å; H288-T291 PolarHBondContact O-OG1 2.83Å; H288-T291 VanDerWaalsContact O-OG1 3.1Å; T291-R296 VanDerWaalsContact O-CB 3.29Å; T291-R296 WeakPolarHBondContact O-CB 3.32Å; T291-R296 WeakPolarHBondContact O-CD 3.42Å; T291-R296 VanDerWaalsContact O-CG 3.26Å; T291-R296 WeakPolarHBondContact O-CG 3.5Å
292E82.1Confident93.8Very high188 Ų18863.4 Ų63.488%0.87934%0.341SS*.  trans-76.8144.2169.1-63.9-161.3150.400110.8S290S290-E292 PolarHBondContact O-N 3.4Å
293G78.6Confident93.8Very high46 Ų4667 Ų6747%0.47435%0.35SS..SBendtrans108.2-174.1172.800000115.5Q295 R296G293-Q295 PolarHBondContact O-N 3.49Å; G293-Q295 VanDerWaalsContact O-N 3.17Å; G293-R296 VanDerWaalsContact O-CB 3.31Å; G293-R296 WeakPolarHBondContact O-CB 3.35Å; G293-R296 PolarHBondContact O-N 3.03Å; G293-R296 VanDerWaalsContact O-N 3.12Å
294P74.1Confident93.8Very high132 Ų13263.9 Ų63.986%0.85734%0.337SS*.THydrogen-bonded Turntrans-64.6-20.2-169.9-22.433.5000114.9R296P294-R296 VanDerWaalsContact C-N 3.28Å
295Q81.9Confident93.9Very high132 Ų13260.3 Ų60.362%0.61732%0.319SS*.THydrogen-bonded Turntrans-85.41.7178.9-59.585.4-1.100113.3G293 L297G293-Q295 PolarHBondContact O-N 3.49Å; G293-Q295 VanDerWaalsContact O-N 3.17Å; Q295-L297 PolarHBondContact O-N 3.25Å
296R95.7Very high93.9Very high92 Ų9262.6 Ų62.635%0.34734%0.335SS..  trans-64.1127.7179.2-172177.5178.9179.5-0.4111.2H288 F289 T291 G293 P294 L298H288-R296 WeakPolarHBondContact O-CA 3.38Å; F289-R296 PolarHBondContact O-NE 3.32Å; F289-R296 PolarHBondContact O-NH2 3.23Å; T291-R296 VanDerWaalsContact O-CB 3.29Å; T291-R296 WeakPolarHBondContact O-CB 3.32Å; T291-R296 WeakPolarHBondContact O-CD 3.42Å; T291-R296 VanDerWaalsContact O-CG 3.26Å; T291-R296 WeakPolarHBondContact O-CG 3.5Å; G293-R296 VanDerWaalsContact O-CB 3.31Å; G293-R296 WeakPolarHBondContact O-CB 3.35Å; G293-R296 PolarHBondContact O-N 3.03Å; G293-R296 VanDerWaalsContact O-N 3.12Å; P294-R296 VanDerWaalsContact C-N 3.28Å; R296-L298 HydrophobicContact CG-CD2 4.13Å
297L98.3Very high93.9Very high5 Ų562.5 Ų62.53%0.02634%0.335CS..  trans-77.7133.7171.8-62.1-179.7000110.4W125 Q159 L160 M163 I285 H288 F289 Q295W125-L297 HydrophobicContact CE3-CD1 4.39Å; W125-L297 HydrophobicContact CH2-CB 3.74Å; W125-L297 HydrophobicContact CH2-CD1 4.49Å; W125-L297 HydrophobicContact CH2-CD2 4.18Å; W125-L297 HydrophobicContact CH2-CG 4.34Å; W125-L297 HydrophobicContact CZ3-CB 3.85Å; W125-L297 HydrophobicContact CZ3-CD1 3.75Å; W125-L297 HydrophobicContact CZ3-CD2 3.87Å; W125-L297 HydrophobicContact CZ3-CG 4.02Å; Q159-L297 HydrophobicContact CB-CD2 3.94Å; L160-L297 HydrophobicContact CD2-CD1 3.9Å; L160-L297 HydrophobicContact CD2-CD2 4.32Å; M163-L297 HydrophobicContact CE-CD1 4.29Å; M163-L297 HydrophobicContact SD-CD1 4.08Å; M163-L297 HydrophobicContact SD-CD2 4.15Å; M163-L297 HydrophobicContact SD-CG 4.3Å; I285-L297 HydrophobicContact CG2-CD1 3.57Å; H288-L297 HydrophobicContact CB-CD1 3.73Å; H288-L297 HydrophobicContact CB-CG 3.81Å; H288-L297 PolarHBondContact O-N 3.31Å; F289-L297 HydrophobicContact CD1-CB 3.96Å; F289-L297 WeakPolarHBondContact CD1-O 3.28Å; F289-L297 HydrophobicContact CD2-CB 4.26Å; F289-L297 HydrophobicContact CD2-CD1 4.22Å; F289-L297 HydrophobicContact CE1-CB 4.01Å; F289-L297 HydrophobicContact CE2-CB 4.3Å; F289-L297 HydrophobicContact CE2-CD1 3.97Å; F289-L297 HydrophobicContact CG-CB 4.12Å; F289-L297 HydrophobicContact CZ-CB 4.2Å; F289-L297 HydrophobicContact CZ-CD1 4.39Å; Q295-L297 PolarHBondContact O-N 3.25Å
298L97.8Very high93.9Very high88 Ų8864.3 Ų64.346%0.46134%0.344SS..  trans-120.6113.4-173.9-59.7176.9000110.7W125 Q159 R296 V300W125-L298 WeakPolarHBondContact CZ2-O 3.33Å; Q159-L298 PolarHBondContact NE2-O 3.44Å; Q159-L298 PolarHBondContact OE1-O 3.41Å; R296-L298 HydrophobicContact CG-CD2 4.13Å; L298-V300 PolarHBondContact O-N 2.64Å
299P98.2Very high94Very high17 Ų1765.8 Ų65.811%0.1135%0.351CS..  trans-65.6122.8170.727.5-31.1000109.2L113 Q117 A120 I121 L301L113-P299 HydrophobicContact CD1-CG 4.16Å; L113-P299 HydrophobicContact CD2-CG 4.41Å; Q117-P299 HydrophobicContact CB-CG 4.3Å; A120-P299 HydrophobicContact CB-CB 4.23Å; I121-P299 HydrophobicContact CG1-CB 4Å; I121-P299 HydrophobicContact CG1-CG 4.5Å; P299-L301 HydrophobicContact CB-CD1 4.08Å; P299-L301 WeakPolarHBondContact O-CD1 3.48Å
300V98.3Very high94Very high15 Ų1565.9 Ų65.99%0.09135%0.352CS..  trans-93.9109.3-175.7-175.20000109.7T155 M180 L184 L298 K325T155-V300 HydrophobicContact CG2-CB 4.13Å; T155-V300 HydrophobicContact CG2-CG1 4.21Å; T155-V300 HydrophobicContact CG2-CG2 4.23Å; M180-V300 HydrophobicContact CE-CG1 3.87Å; L184-V300 HydrophobicContact CD1-CG2 4.05Å; L184-V300 HydrophobicContact CD2-CG2 3.7Å; L298-V300 PolarHBondContact O-N 2.64Å; V300-K325 PolarHBondContact O-N 2.76Å
301L98.5Very high94.2Very high50 Ų5066.8 Ų66.826%0.26235%0.351SS..EExtended strand (participates in β ladder)trans-102.1129.5176.8-75.868.2000109.2Q117 A120 P299 I304 V327Q117-L301 HydrophobicContact CG-CD1 4.33Å; Q117-L301 HydrophobicContact CG-CD2 4.15Å; A120-L301 HydrophobicContact CB-CD1 3.63Å; A120-L301 HydrophobicContact CB-CG 4.18Å; P299-L301 HydrophobicContact CB-CD1 4.08Å; P299-L301 WeakPolarHBondContact O-CD1 3.48Å; L301-I304 HydrophobicContact CD2-CD1 4.24Å; L301-I304 HydrophobicContact CD2-CG1 4.3Å; L301-V327 HydrophobicContact CD2-CG2 3.91Å; L301-V327 HydrophobicContact CG-CG2 3.97Å
302D98.2Very high94.7Very high40 Ų4068.9 Ų68.921%0.21436%0.357CS..EExtended strand (participates in β ladder)trans-86.2-55.9172.9-176.5-94.9000110.6Y316 N322 L323 K325D302-Y316 WeakPolarHBondContact OD1-CE1 3.42Å; D302-Y316 PolarHBondContact OD1-OH 2.86Å; D302-N322 HydrophobicContact CB-CB 4.23Å; D302-L323 WeakPolarHBondContact CB-O 3.41Å; D302-L323 WeakPolarHBondContact OD2-CB 3.26Å; D302-L323 PolarHBondContact OD2-N 3.29Å; D302-K325 PolarHBondContact N-O 2.98Å
303R98.3Very high95.5Very high119 Ų11959.9 Ų59.945%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-147.6150.7-175.3-79173.8-175-103.8-7.3110.8Y305 Y316 I326 V327R303-Y305 HydrophobicContact CB-CD2 4.12Å; R303-Y305 HydrophobicContact CB-CE2 3.67Å; R303-Y305 HydrophobicContact CG-CE2 4.35Å; R303-Y316 PolarHBondContact NE-OH 3.46Å; R303-I326 WeakPolarHBondContact O-CA 3.35Å; R303-V327 PolarHBondContact O-N 3.48Å
304I98.8Very high96.4Very high81 Ų8157.7 Ų57.742%0.41529%0.293SS..EExtended strand (participates in β ladder)trans-114.4129.3169.7-57.5173.5000106.7P116 L301 V327 E329P116-I304 HydrophobicContact CB-CD1 4.05Å; L301-I304 HydrophobicContact CD2-CD1 4.24Å; L301-I304 HydrophobicContact CD2-CG1 4.3Å; I304-V327 CarbonylContact C-O 3.59Å; I304-V327 WeakPolarHBondContact CA-O 3.38Å; I304-V327 HydrophobicContact CG1-CB 4.22Å; I304-E329 HydrophobicContact CG2-CB 4.47Å; I304-E329 HydrophobicContact CG2-CG 3.6Å
305Y98.8Very high97.6Very high25 Ų2555.1 Ų55.110%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-117.9142.2175.1-75.8-90.4000109.3R303 E309 E312 A313 I326 V327 L328 E329R303-Y305 HydrophobicContact CB-CD2 4.12Å; R303-Y305 HydrophobicContact CB-CE2 3.67Å; R303-Y305 HydrophobicContact CG-CE2 4.35Å; Y305-E309 HydrophobicContact CD1-CB 3.89Å; Y305-E309 WeakPolarHBondContact CD1-OE2 3.46Å; Y305-E312 HydrophobicContact CE1-CB 4.31Å; Y305-A313 HydrophobicContact CD1-CB 4.42Å; Y305-A313 HydrophobicContact CD2-CB 3.81Å; Y305-A313 HydrophobicContact CE2-CB 4.27Å; Y305-A313 HydrophobicContact CG-CB 3.89Å; Y305-I326 HydrophobicContact CD2-CG2 3.65Å; Y305-I326 HydrophobicContact CE2-CG2 3.98Å; Y305-V327 PolarHBondContact N-O 3.17Å; Y305-L328 CarbonylContact O-C 3.58Å; Y305-L328 VanDerWaalsContact O-CA 3.24Å; Y305-L328 WeakPolarHBondContact O-CA 3.46Å; Y305-E329 PolarHBondContact O-N 3.4Å
306P98.7Very high98.4Very high51 Ų5150.6 Ų50.633%0.33125%0.246SC..EExtended strand (participates in β ladder)trans-64.9149162.929.9-33.8000109.4T308 E309P306-T308 PolarHBondContact O-N 3.02Å; P306-E309 HydrophobicContact CG-CB 4.17Å; P306-E309 HydrophobicContact CG-CG 3.84Å; P306-E309 PolarHBondContact O-N 3.12Å
307V98.5Very high98.5Very high8 Ų846.6 Ų46.65%0.04823%0.231CC..G310 helixtrans-57.6-24.7-178.372.60000113.4V4 V17 E309 I310 E329 L330 P331V4-V307 HydrophobicContact CG2-CG2 3.43Å; V4-V307 VanDerWaalsContact CG2-CG2 3.43Å; V17-V307 HydrophobicContact CG2-CG1 4.25Å; V17-V307 HydrophobicContact CG2-CG2 4.23Å; V17-V307 WeakPolarHBondContact CG2-O 3.33Å; V307-E309 PolarHBondContact O-N 2.99Å; V307-I310 WeakPolarHBondContact O-CB 3.32Å; V307-I310 WeakPolarHBondContact O-CG2 3.49Å; V307-I310 PolarHBondContact O-N 3.13Å; V307-E329 WeakPolarHBondContact CB-O 3.42Å; V307-E329 PolarHBondContact N-O 2.92Å; V307-L330 HydrophobicContact CB-CG 4.49Å; V307-P331 VanDerWaalsContact CG1-CD 3.48Å; V307-P331 HydrophobicContact CG1-CG 4.38Å
308T98.5Very high98.5Very high108 Ų10849.5 Ų49.566%0.66324%0.244SC*.G310 helixtrans-65.5-21.7174.248.70000113.3P306P306-T308 PolarHBondContact O-N 3.02Å
309E98.8Very high98.5Very high91 Ų9147.9 Ų47.943%0.42524%0.244SC..G310 helixtrans-97.721.3177.1-67.9179.2-156.200112.5Y305 P306 V307 Q311 E312 A313Y305-E309 HydrophobicContact CD1-CB 3.89Å; Y305-E309 WeakPolarHBondContact CD1-OE2 3.46Å; P306-E309 HydrophobicContact CG-CB 4.17Å; P306-E309 HydrophobicContact CG-CG 3.84Å; P306-E309 PolarHBondContact O-N 3.12Å; V307-E309 PolarHBondContact O-N 2.99Å; E309-Q311 PolarHBondContact O-N 2.71Å; E309-Q311 VanDerWaalsContact O-N 3.13Å; E309-E312 PolarHBondContact O-N 3.03Å; E309-A313 PolarHBondContact O-N 2.85Å
310I98.8Very high98.4Very high3 Ų351 Ų512%0.01526%0.26CS..Hα-helixtrans-52.7-37.6-179-176.364.5000113.2V4 L15 L39 V307 E312 A313 H314 L328V4-I310 HydrophobicContact CG1-CD1 4.41Å; V4-I310 HydrophobicContact CG1-CG1 3.78Å; V4-I310 HydrophobicContact CG2-CB 4.2Å; V4-I310 HydrophobicContact CG2-CD1 4.19Å; V4-I310 HydrophobicContact CG2-CG1 3.91Å; V4-I310 HydrophobicContact CG2-CG2 4.41Å; L15-I310 HydrophobicContact CB-CG1 4.49Å; L15-I310 HydrophobicContact CB-CG2 4.07Å; L15-I310 HydrophobicContact CD1-CG1 4.23Å; L39-I310 HydrophobicContact CD2-CD1 4.01Å; V307-I310 WeakPolarHBondContact O-CB 3.32Å; V307-I310 WeakPolarHBondContact O-CG2 3.49Å; V307-I310 PolarHBondContact O-N 3.13Å; I310-E312 PolarHBondContact O-N 2.98Å; I310-A313 PolarHBondContact O-N 2.93Å; I310-H314 PolarHBondContact O-CD2 3.32Å; I310-H314 VanDerWaalsContact O-CD2 3.31Å; I310-H314 PolarHBondContact O-N 3.49Å; I310-L328 HydrophobicContact CD1-CD1 3.43Å; I310-L328 VanDerWaalsContact CD1-CD1 3.43Å; I310-L328 HydrophobicContact CD1-CD2 3.84Å; I310-L328 HydrophobicContact CD1-CG 4.29Å
311Q98.7Very high98.3Very high64 Ų6456.4 Ų56.430%0.29928%0.282SS..Hα-helixtrans-61.2-43.9177.6178.7-179.621.500111.7P12 E309 H314 K315P12-Q311 WeakPolarHBondContact O-CG 3.4Å; E309-Q311 PolarHBondContact O-N 2.71Å; E309-Q311 VanDerWaalsContact O-N 3.13Å; Q311-H314 PolarHBondContact O-N 2.83Å; Q311-K315 WeakPolarHBondContact O-CG 3.45Å; Q311-K315 PolarHBondContact O-N 2.95Å; Q311-K315 VanDerWaalsContact O-N 3.12Å
312E98.8Very high98.2Very high91 Ų9154.6 Ų54.643%0.42527%0.273SS..Hα-helixtrans-71.6-37.2179.2-69-54129.600111.8Y305 E309 I310 H314 K315 Y316Y305-E312 HydrophobicContact CE1-CB 4.31Å; E309-E312 PolarHBondContact O-N 3.03Å; I310-E312 PolarHBondContact O-N 2.98Å; E312-H314 VanDerWaalsContact C-N 3.33Å; E312-H314 PolarHBondContact O-N 3.42Å; E312-K315 PolarHBondContact O-N 3.2Å; E312-K315 IonicContact OE1-NZ 3.2Å; E312-K315 PolarHBondContact OE1-NZ 3.01Å; E312-Y316 WeakPolarHBondContact O-CB 3.09Å; E312-Y316 PolarHBondContact O-N 3.46Å
313A98.8Very high98.1Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-60.2-41.9174.700000111.7L39 Y305 E309 I310 Y316 M317 I326 L328L39-A313 HydrophobicContact CD1-CB 3.54Å; Y305-A313 HydrophobicContact CD1-CB 4.42Å; Y305-A313 HydrophobicContact CD2-CB 3.81Å; Y305-A313 HydrophobicContact CE2-CB 4.27Å; Y305-A313 HydrophobicContact CG-CB 3.89Å; E309-A313 PolarHBondContact O-N 2.85Å; I310-A313 PolarHBondContact O-N 2.93Å; A313-Y316 PolarHBondContact O-N 3.38Å; A313-M317 PolarHBondContact O-N 3.27Å; A313-M317 VanDerWaalsContact O-N 3.16Å; A313-I326 HydrophobicContact CB-CG2 4.22Å; A313-L328 HydrophobicContact CB-CD2 4.06Å
314H98.8Very high98.1Very high0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-64.5-48.9173.9-87.3-116.7000112.5P12 L15 L39 I310 Q311 E312 Y316 M317 E318P12-H314 HydrophobicContact CB-CB 3.85Å; L15-H314 HydrophobicContact CD1-CB 3.86Å; L15-H314 VanDerWaalsContact CD1-CD2 3.42Å; L15-H314 WeakPolarHBondContact CD1-CD2 3.48Å; L15-H314 WeakPolarHBondContact CD1-ND1 3.47Å; L39-H314 WeakPolarHBondContact CD2-NE2 3.48Å; I310-H314 PolarHBondContact O-CD2 3.32Å; I310-H314 VanDerWaalsContact O-CD2 3.31Å; I310-H314 PolarHBondContact O-N 3.49Å; Q311-H314 PolarHBondContact O-N 2.83Å; E312-H314 VanDerWaalsContact C-N 3.33Å; E312-H314 PolarHBondContact O-N 3.42Å; H314-Y316 PolarHBondContact O-N 2.93Å; H314-M317 PolarHBondContact O-N 3.32Å; H314-M317 VanDerWaalsContact O-N 3.1Å; H314-E318 WeakPolarHBondContact O-CG 3.33Å; H314-E318 PolarHBondContact O-N 3.34Å
315K98.8Very high98.1Very high77 Ų7744.8 Ų44.834%0.33523%0.23SC..Hα-helixtrans-55.5-39176.4-71.5171.8-172166.60111.7P12 Q311 E312 E318 A319P12-K315 HydrophobicContact CB-CG 4.14Å; P12-K315 HydrophobicContact CG-CG 3.75Å; Q311-K315 WeakPolarHBondContact O-CG 3.45Å; Q311-K315 PolarHBondContact O-N 2.95Å; Q311-K315 VanDerWaalsContact O-N 3.12Å; E312-K315 PolarHBondContact O-N 3.2Å; E312-K315 IonicContact OE1-NZ 3.2Å; E312-K315 PolarHBondContact OE1-NZ 3.01Å; K315-E318 PolarHBondContact O-N 3.34Å; K315-A319 WeakPolarHBondContact O-CB 3.48Å; K315-A319 PolarHBondContact O-N 3Å
316Y98.7Very high98.1Very high38 Ų3843.6 Ų43.615%0.14923%0.225CC..Hα-helixtrans-65.3-41.8178.4-169.9-96000112.6D302 R303 E312 A313 H314 K321 N322 I326D302-Y316 WeakPolarHBondContact OD1-CE1 3.42Å; D302-Y316 PolarHBondContact OD1-OH 2.86Å; R303-Y316 PolarHBondContact NE-OH 3.46Å; E312-Y316 WeakPolarHBondContact O-CB 3.09Å; E312-Y316 PolarHBondContact O-N 3.46Å; A313-Y316 PolarHBondContact O-N 3.38Å; H314-Y316 PolarHBondContact O-N 2.93Å; Y316-K321 HydrophobicContact CD1-CB 4.23Å; Y316-K321 HydrophobicContact CD2-CB 4Å; Y316-K321 HydrophobicContact CD2-CD 3.81Å; Y316-K321 HydrophobicContact CE1-CB 3.77Å; Y316-K321 HydrophobicContact CE2-CB 3.51Å; Y316-K321 HydrophobicContact CE2-CD 3.63Å; Y316-K321 HydrophobicContact CE2-CG 4.22Å; Y316-K321 HydrophobicContact CG-CB 4.32Å; Y316-K321 PolarHBondContact O-N 3.14Å; Y316-N322 HydrophobicContact CD1-CB 4.21Å; Y316-N322 HydrophobicContact CE1-CB 3.82Å; Y316-I326 HydrophobicContact CD1-CD1 3.81Å; Y316-I326 HydrophobicContact CD1-CG1 4.32Å
317M98.5Very high98.1Very high8 Ų841.2 Ų41.24%0.03921%0.21CC..Hα-helixtrans-68.8-40.9174.8-174.6175.5-71.200112.7L39 R41 L44 A313 H314 A319 N320 I326L39-M317 HydrophobicContact CB-CE 3.43Å; L39-M317 VanDerWaalsContact CB-CE 3.43Å; R41-M317 PolarHBondContact NH1-O 2.72Å; L44-M317 HydrophobicContact CD1-CB 4.44Å; L44-M317 HydrophobicContact CD1-CG 4.33Å; L44-M317 HydrophobicContact CD1-SD 3.65Å; L44-M317 HydrophobicContact CD2-CB 4.25Å; L44-M317 HydrophobicContact CD2-CG 3.92Å; L44-M317 HydrophobicContact CD2-SD 4.04Å; A313-M317 PolarHBondContact O-N 3.27Å; A313-M317 VanDerWaalsContact O-N 3.16Å; H314-M317 PolarHBondContact O-N 3.32Å; H314-M317 VanDerWaalsContact O-N 3.1Å; M317-A319 VanDerWaalsContact C-N 3.27Å; M317-A319 PolarHBondContact O-N 3.09Å; M317-N320 WeakPolarHBondContact O-CA 3.18Å; M317-N320 PolarHBondContact O-N 2.61Å; M317-I326 HydrophobicContact CB-CD1 3.78Å; M317-I326 HydrophobicContact CE-CD1 3.9Å; M317-I326 HydrophobicContact CG-CD1 4.47Å
318E98.1Very high98.1Very high65 Ų6540.8 Ų40.830%0.30421%0.207SC..Hα-helixtrans-60.6-38.9176.7-75.9178.1-172.700111.6L44 R47 H314 K315 N320L44-E318 HydrophobicContact CD2-CB 4.49Å; L44-E318 HydrophobicContact CD2-CG 3.52Å; L44-E318 HydrophobicContact CG-CG 4.1Å; R47-E318 IonicContact CZ-OE1 3.55Å; R47-E318 VanDerWaalsContact CZ-OE1 3.28Å; R47-E318 IonicContact NH1-OE1 3.55Å; R47-E318 IonicContact NH2-OE1 3.5Å; R47-E318 PolarHBondContact NH2-OE1 2.87Å; H314-E318 WeakPolarHBondContact O-CG 3.33Å; H314-E318 PolarHBondContact O-N 3.34Å; K315-E318 PolarHBondContact O-N 3.34Å; E318-N320 PolarHBondContact O-N 3.09Å; E318-N320 VanDerWaalsContact O-N 3.09Å; E318-N320 PolarHBondContact O-ND2 3.49Å
319A97.4Very high98.1Very high55 Ų5539.8 Ų39.846%0.45520%0.195SC..THydrogen-bonded Turntrans-70.20.7173.400000113.9K315 M317 K321K315-A319 WeakPolarHBondContact O-CB 3.48Å; K315-A319 PolarHBondContact O-N 3Å; M317-A319 VanDerWaalsContact C-N 3.27Å; M317-A319 PolarHBondContact O-N 3.09Å; A319-K321 HydrophobicContact CB-CD 4.05Å; A319-K321 HydrophobicContact CB-CG 3.88Å; A319-K321 PolarHBondContact O-N 3.21Å; A319-K321 VanDerWaalsContact O-N 3.15Å
320N96.4Very high98.1Very high82 Ų8236 Ų3644%0.43918%0.177SC..THydrogen-bonded Turntrans54.729.2-179.1-61.5-54.9000113.7R41 K177 M317 E318R41-N320 PolarHBondContact NH2-OD1 2.75Å; K177-N320 PolarHBondContact NZ-O 3.34Å; M317-N320 WeakPolarHBondContact O-CA 3.18Å; M317-N320 PolarHBondContact O-N 2.61Å; E318-N320 PolarHBondContact O-N 3.09Å; E318-N320 VanDerWaalsContact O-N 3.09Å; E318-N320 PolarHBondContact O-ND2 3.49Å
321K95.8Very high97.9Very high128 Ų12838.5 Ų38.556%0.55719%0.194SC*.  trans-77.6-31.3-175.3-70.7179.6177.7176.10113Y316 A319Y316-K321 HydrophobicContact CD1-CB 4.23Å; Y316-K321 HydrophobicContact CD2-CB 4Å; Y316-K321 HydrophobicContact CD2-CD 3.81Å; Y316-K321 HydrophobicContact CE1-CB 3.77Å; Y316-K321 HydrophobicContact CE2-CB 3.51Å; Y316-K321 HydrophobicContact CE2-CD 3.63Å; Y316-K321 HydrophobicContact CE2-CG 4.22Å; Y316-K321 HydrophobicContact CG-CB 4.32Å; Y316-K321 PolarHBondContact O-N 3.14Å; A319-K321 HydrophobicContact CB-CD 4.05Å; A319-K321 HydrophobicContact CB-CG 3.88Å; A319-K321 PolarHBondContact O-N 3.21Å; A319-K321 VanDerWaalsContact O-N 3.15Å
322N97.2Very high97.4Very high12 Ų1241.2 Ų41.26%0.06421%0.207CC..  trans-62.6145.2-173.565.3-65.5000114.5K177 D302 Y316 G324 I326K177-N322 PolarHBondContact NZ-O 3.07Å; D302-N322 HydrophobicContact CB-CB 4.23Å; Y316-N322 HydrophobicContact CD1-CB 4.21Å; Y316-N322 HydrophobicContact CE1-CB 3.82Å; N322-G324 PolarHBondContact ND2-O 3.37Å; N322-I326 HydrophobicContact CB-CD1 3.81Å; N322-I326 HydrophobicContact CB-CG1 3.8Å
323L96.2Very high97.3Very high28 Ų2838.7 Ų38.715%0.14720%0.196CC..SBendtrans-114.892.9171-71.8166.2000109L150 Q176 K177 D302L150-L323 HydrophobicContact CB-CD2 3.95Å; L150-L323 HydrophobicContact CG-CD2 4.11Å; Q176-L323 HydrophobicContact CG-CD1 4.37Å; K177-L323 HydrophobicContact CB-CD2 3.84Å; K177-L323 HydrophobicContact CD-CD2 3.68Å; K177-L323 HydrophobicContact CG-CD2 3.51Å; D302-L323 WeakPolarHBondContact CB-O 3.41Å; D302-L323 WeakPolarHBondContact OD2-CB 3.26Å; D302-L323 PolarHBondContact OD2-N 3.29Å
324G96.9Very high97.2Very high1 Ų140.7 Ų40.71%0.0121%0.206CC..SBendtrans87.9-145.7-170.600000112.2L150 N322L150-G324 PolarHBondContact O-N 3.3Å; N322-G324 PolarHBondContact ND2-O 3.37Å
325K98.6Very high97.1Very high6 Ų643 Ų433%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-87142.5-170.8-78-81.2-174.51660113.1A38 N40 E64 A120 V300 D302A38-K325 HydrophobicContact CB-CD 4.07Å; N40-K325 PolarHBondContact OD1-NZ 2.83Å; E64-K325 IonicContact OE1-NZ 3.58Å; E64-K325 PolarHBondContact OE1-NZ 3.18Å; E64-K325 IonicContact OE2-NZ 2.64Å; A120-K325 HydrophobicContact CB-CB 3.77Å; A120-K325 HydrophobicContact CB-CG 3.84Å; V300-K325 PolarHBondContact O-N 2.76Å; D302-K325 PolarHBondContact N-O 2.98Å
326I98.8Very high97Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-101.7120.6165.1-58.3160.9000106.5A38 L39 R303 Y305 A313 Y316 M317 N322A38-I326 WeakPolarHBondContact CA-O 3.41Å; A38-I326 WeakPolarHBondContact CB-O 3.48Å; L39-I326 HydrophobicContact CB-CB 4.36Å; L39-I326 HydrophobicContact CD1-CB 4.44Å; L39-I326 HydrophobicContact CD1-CG2 4.14Å; L39-I326 PolarHBondContact N-O 3.4Å; R303-I326 WeakPolarHBondContact O-CA 3.35Å; Y305-I326 HydrophobicContact CD2-CG2 3.65Å; Y305-I326 HydrophobicContact CE2-CG2 3.98Å; A313-I326 HydrophobicContact CB-CG2 4.22Å; Y316-I326 HydrophobicContact CD1-CD1 3.81Å; Y316-I326 HydrophobicContact CD1-CG1 4.32Å; M317-I326 HydrophobicContact CB-CD1 3.78Å; M317-I326 HydrophobicContact CE-CD1 3.9Å; M317-I326 HydrophobicContact CG-CD1 4.47Å; N322-I326 HydrophobicContact CB-CD1 3.81Å; N322-I326 HydrophobicContact CB-CG1 3.8Å
327V98.9Very high96.9Very high0 Ų041.2 Ų41.20%021%0.214CC..EExtended strand (participates in β ladder)trans-102.2146.2-177.11750000109.6A36 S37 A38 P116 A119 A120 L301 R303 I304 Y305A36-V327 HydrophobicContact CB-CG1 3.94Å; S37-V327 WeakPolarHBondContact O-CA 3.4Å; S37-V327 WeakPolarHBondContact O-CG1 3.4Å; A38-V327 HydrophobicContact CB-CG2 4.36Å; P116-V327 HydrophobicContact CB-CG1 4.03Å; A119-V327 HydrophobicContact CB-CG1 4.3Å; A120-V327 HydrophobicContact CB-CG2 4.28Å; L301-V327 HydrophobicContact CD2-CG2 3.91Å; L301-V327 HydrophobicContact CG-CG2 3.97Å; R303-V327 PolarHBondContact O-N 3.48Å; I304-V327 CarbonylContact C-O 3.59Å; I304-V327 WeakPolarHBondContact CA-O 3.38Å; I304-V327 HydrophobicContact CG1-CB 4.22Å; Y305-V327 PolarHBondContact N-O 3.17Å
328L98.8Very high96.8Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-115.3122.9176.5-66.5163.5000108.8A36 S37 L39 Q95 Y305 I310 A313 L330A36-L328 CarbonylContact C-O 3.59Å; A36-L328 WeakPolarHBondContact CA-O 3.38Å; S37-L328 PolarHBondContact N-O 3.43Å; S37-L328 PolarHBondContact O-N 2.91Å; L39-L328 HydrophobicContact CD2-CD1 4.04Å; L39-L328 HydrophobicContact CG-CD1 3.96Å; L39-L328 HydrophobicContact CG-CG 4.44Å; Q95-L328 HydrophobicContact CG-CD1 3.78Å; Y305-L328 CarbonylContact O-C 3.58Å; Y305-L328 VanDerWaalsContact O-CA 3.24Å; Y305-L328 WeakPolarHBondContact O-CA 3.46Å; I310-L328 HydrophobicContact CD1-CD1 3.43Å; I310-L328 VanDerWaalsContact CD1-CD1 3.43Å; I310-L328 HydrophobicContact CD1-CD2 3.84Å; I310-L328 HydrophobicContact CD1-CG 4.29Å; A313-L328 HydrophobicContact CB-CD2 4.06Å; L328-L330 WeakPolarHBondContact O-CD1 3.49Å
329E98.7Very high96.7Very high86 Ų8641.9 Ų41.940%0.40222%0.22SC..EExtended strand (participates in β ladder)trans-93.4135.3173.4-76.6-177.9155.400111P116 I304 Y305 V307P116-E329 HydrophobicContact CG-CG 4.21Å; P116-E329 WeakPolarHBondContact CG-OE1 3.37Å; I304-E329 HydrophobicContact CG2-CB 4.47Å; I304-E329 HydrophobicContact CG2-CG 3.6Å; Y305-E329 PolarHBondContact O-N 3.4Å; V307-E329 WeakPolarHBondContact CB-O 3.42Å; V307-E329 PolarHBondContact N-O 2.92Å
330L98Very high96.7Very high11 Ų1140.8 Ų40.86%0.05820%0.202CC..PPolyproline II helixtrans-102.7143-178.6-70.282000111V34 A35 A96 V307 L328 Q332V34-L330 HydrophobicContact CB-CD2 4.06Å; V34-L330 HydrophobicContact CG1-CD1 3.74Å; V34-L330 HydrophobicContact CG1-CD2 3.94Å; V34-L330 HydrophobicContact CG1-CG 4.39Å; A35-L330 PolarHBondContact O-N 3.4Å; A96-L330 WeakPolarHBondContact O-CD2 3.47Å; V307-L330 HydrophobicContact CB-CG 4.49Å; L328-L330 WeakPolarHBondContact O-CD1 3.49Å; L330-Q332 PolarHBondContact O-N 3.2Å; L330-Q332 PolarHBondContact O-NE2 2.9Å
331P94.4Very high96.7Very high56 Ų5637.4 Ų37.436%0.36418%0.183SC..PPolyproline II helixtrans-64.1130172.327.5-33.4000109.7L2 Q97 V307L2-P331 HydrophobicContact CD1-CG 3.86Å; Q97-P331 PolarHBondContact NE2-O 2.67Å; V307-P331 VanDerWaalsContact CG1-CD 3.48Å; V307-P331 HydrophobicContact CG1-CG 4.38Å
332Q87.9Confident96.8Very high121 Ų12129.2 Ų29.257%0.56515%0.149SC*.  trans-89.10-175.5-63.5-53.9-65.900113.5K33 V34 L330K33-Q332 WeakPolarHBondContact CE-OXT 3.16Å; K33-Q332 PolarHBondContact NZ-OXT 2.93Å; V34-Q332 PolarHBondContact O-NE2 3.36Å; L330-Q332 PolarHBondContact O-N 3.2Å; L330-Q332 PolarHBondContact O-NE2 2.9Å

Retrieved 332 of 332 residues in 118.1 ms (Link to these results)

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