A0A5K4F482_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F482, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 389 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
1M78.2Confident88.2Confident178 Ų17887.6 Ų87.688%0.87744%0.436SS*.  01500-69.2179.9-7000108.1Y6 I7M1-Y6 CarbonylContact C-O 3.55Å; M1-Y6 WeakPolarHBondContact CA-O 3.47Å; M1-I7 HydrophobicContact CG-CG1 4.29Å
2D80.2Confident88.9Confident38 Ų3880.4 Ų80.420%0.20340%0.401CS..  trans-83.1-175.6169.466.918.1000112.1L4 G5 Y6 K8D2-L4 PolarHBondContact O-N 2.96Å; D2-L4 WeakPolarHBondContact OD1-CA 3.45Å; D2-L4 PolarHBondContact OD1-N 3.22Å; D2-G5 PolarHBondContact O-N 2.94Å; D2-G5 VanDerWaalsContact O-N 3.09Å; D2-G5 PolarHBondContact OD1-N 2.94Å; D2-G5 VanDerWaalsContact OD1-N 3.1Å; D2-Y6 PolarHBondContact N-O 3.1Å; D2-Y6 PolarHBondContact OD1-N 3.09Å; D2-K8 HydrophobicContact CB-CD 4.15Å; D2-K8 HydrophobicContact CB-CG 4.48Å
3H81.4Confident89.4Confident173 Ų17374.4 Ų74.480%0.80137%0.37SS*.THydrogen-bonded Turntrans-66.7-14.4-178.167-84.1000113.8
4L86.5Confident89.8Confident115 Ų11569.1 Ų69.160%0.60234%0.344SS*.THydrogen-bonded Turntrans-97.5-3.4176.2-58.6177.2000112.2D2 Y6D2-L4 PolarHBondContact O-N 2.96Å; D2-L4 WeakPolarHBondContact OD1-CA 3.45Å; D2-L4 PolarHBondContact OD1-N 3.22Å; L4-Y6 HydrophobicContact CB-CD2 3.7Å; L4-Y6 HydrophobicContact CB-CE2 3.84Å; L4-Y6 HydrophobicContact CD1-CD2 4.34Å; L4-Y6 HydrophobicContact CD1-CE2 4.13Å
5G86.1Confident90.1Very high43 Ų4365.1 Ų65.144%0.44333%0.325SS..SBendtrans88.84.2-179.400000114.4D2D2-G5 PolarHBondContact O-N 2.94Å; D2-G5 VanDerWaalsContact O-N 3.09Å; D2-G5 PolarHBondContact OD1-N 2.94Å; D2-G5 VanDerWaalsContact OD1-N 3.1Å
6Y89.8Confident90.4Very high146 Ų14661.7 Ų61.757%0.57331%0.308SS*.PPolyproline II helixtrans-73142175.8-66-73.7000111M1 D2 L4 K8M1-Y6 CarbonylContact C-O 3.55Å; M1-Y6 WeakPolarHBondContact CA-O 3.47Å; D2-Y6 PolarHBondContact N-O 3.1Å; D2-Y6 PolarHBondContact OD1-N 3.09Å; L4-Y6 HydrophobicContact CB-CD2 3.7Å; L4-Y6 HydrophobicContact CB-CE2 3.84Å; L4-Y6 HydrophobicContact CD1-CD2 4.34Å; L4-Y6 HydrophobicContact CD1-CE2 4.13Å; Y6-K8 PolarHBondContact O-N 2.84Å
7I89.3Confident90.7Very high121 Ų12160 Ų6062%0.62130%0.299SS*.PPolyproline II helixtrans-77.7122.3170.2-54.2177.5000107.3M1 F347M1-I7 HydrophobicContact CG-CG1 4.29Å; I7-F347 HydrophobicContact CB-CE1 4.31Å; I7-F347 HydrophobicContact CG2-CD1 4.18Å; I7-F347 HydrophobicContact CG2-CE1 3.63Å
8K90.7Very high90.9Very high80 Ų8059.6 Ų59.635%0.34830%0.295SS..PPolyproline II helixtrans-90.4129.3172-73.2-177.2165.5172.40109D2 Y6 F10 Y81D2-K8 HydrophobicContact CB-CD 4.15Å; D2-K8 HydrophobicContact CB-CG 4.48Å; Y6-K8 PolarHBondContact O-N 2.84Å; K8-F10 HydrophobicContact CB-CE2 3.92Å; K8-F10 HydrophobicContact CB-CZ 3.87Å; K8-F10 HydrophobicContact CD-CZ 4.2Å; K8-Y81 PolarHBondContact NZ-OH 3.12Å
9L94.4Very high91.1Very high35 Ų3560.8 Ų60.818%0.18330%0.303CS..  trans-106.6127171.7-175.164000107.8N42 F347L9-N42 PolarHBondContact O-ND2 2.89Å; L9-F347 HydrophobicContact CB-CE1 4.08Å; L9-F347 HydrophobicContact CB-CZ 4.17Å; L9-F347 HydrophobicContact CD1-CD1 4.11Å; L9-F347 HydrophobicContact CD1-CE1 4.24Å; L9-F347 HydrophobicContact CD1-CG 4.42Å; L9-F347 HydrophobicContact CD2-CD2 4.4Å; L9-F347 HydrophobicContact CD2-CE1 4.47Å; L9-F347 HydrophobicContact CD2-CE2 4.05Å; L9-F347 HydrophobicContact CD2-CZ 4.1Å
10F97.2Very high91.2Very high22 Ų2265.9 Ų65.910%0.09632%0.323CS..  trans-104.6132-177.1-59.1-85.7000111.3K8 N42 V43 Y81 L174 F315 S349 W350K8-F10 HydrophobicContact CB-CE2 3.92Å; K8-F10 HydrophobicContact CB-CZ 3.87Å; K8-F10 HydrophobicContact CD-CZ 4.2Å; F10-N42 WeakPolarHBondContact CA-OD1 3.32Å; F10-V43 HydrophobicContact CB-CB 4.04Å; F10-V43 HydrophobicContact CB-CG1 3.77Å; F10-V43 HydrophobicContact CD1-CB 4.08Å; F10-V43 HydrophobicContact CD1-CG2 4.49Å; F10-V43 HydrophobicContact CG-CB 4.47Å; F10-Y81 HydrophobicContact CD1-CD2 4.48Å; F10-Y81 HydrophobicContact CE1-CD1 4.4Å; F10-Y81 AromaticContact CE1-CD2 3.82Å; F10-Y81 HydrophobicContact CE1-CD2 3.82Å; F10-Y81 HydrophobicContact CE1-CE2 4.29Å; F10-Y81 AromaticContact CE1-CG 3.9Å; F10-Y81 HydrophobicContact CE1-CG 3.9Å; F10-L174 HydrophobicContact CD1-CD2 4.2Å; F10-L174 HydrophobicContact CD2-CD2 4.18Å; F10-L174 HydrophobicContact CE1-CD1 4.3Å; F10-L174 HydrophobicContact CE1-CD2 3.98Å; F10-L174 HydrophobicContact CE2-CD1 4.19Å; F10-L174 HydrophobicContact CE2-CD2 3.96Å; F10-L174 HydrophobicContact CG-CD2 4.29Å; F10-L174 HydrophobicContact CZ-CD1 3.7Å; F10-L174 HydrophobicContact CZ-CD2 3.85Å; F10-L174 HydrophobicContact CZ-CG 4.45Å; F10-F315 HydrophobicContact CB-CE2 3.6Å; F10-F315 HydrophobicContact CB-CZ 3.68Å; F10-F315 AromaticContact CD2-CE2 3.95Å; F10-F315 HydrophobicContact CD2-CE2 3.95Å; F10-F315 HydrophobicContact CG-CE2 4.03Å; F10-S349 PolarHBondContact N-OG 3.43Å; F10-S349 CarbonylContact O-C 3.51Å; F10-S349 VanDerWaalsContact O-CA 3.29Å; F10-S349 WeakPolarHBondContact O-CA 3.46Å; F10-S349 WeakPolarHBondContact O-CB 3.29Å; F10-W350 PolarHBondContact O-N 3.16Å
11R97Very high91.4Very high13 Ų1364.5 Ų64.55%0.04932%0.32CS..EExtended strand (participates in β ladder)trans-133.7123.4-177.3-62.1-71.4-177.2-125.79.4107.6L41 N42 V43 D344 E348 W350 W380R11-L41 WeakPolarHBondContact O-CA 3.13Å; R11-N42 PolarHBondContact N-OD1 2.87Å; R11-N42 PolarHBondContact O-N 2.95Å; R11-N42 PolarHBondContact O-OD1 2.95Å; R11-V43 PolarHBondContact O-N 3.48Å; R11-D344 IonicContact CZ-OD1 3.44Å; R11-D344 IonicContact NE-OD1 2.64Å; R11-D344 IonicContact NH2-OD1 3.67Å; R11-D344 PolarHBondContact NH2-OD1 3.43Å; R11-E348 PolarHBondContact NH1-O 2.98Å; R11-E348 PolarHBondContact NH2-O 3.13Å; R11-W350 HydrophobicContact CB-CZ2 4.47Å; R11-W350 VanDerWaalsContact CD-CZ2 3.4Å; R11-W350 VanDerWaalsContact CD-NE1 3.3Å; R11-W380 HydrophobicContact CB-CZ3 4.42Å
12G96.1Very high92.3Very high1 Ų157.7 Ų57.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-170.5-162.1-165.500000114.8V43 W350 T351 F352G12-V43 WeakPolarHBondContact CA-O 3.25Å; G12-W350 PolarHBondContact N-O 2.89Å; G12-W350 VanDerWaalsContact N-O 3.07Å; G12-W350 WeakPolarHBondContact O-CZ3 3.5Å; G12-T351 WeakPolarHBondContact O-CA 3.25Å; G12-F352 PolarHBondContact O-N 3.08Å
13F95.1Very high93Very high2 Ų259 Ų591%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-149.6170.9179.665.5-83.6000112.1N15 F36 L41 I44 R45 F352 F357F13-N15 HydrophobicContact CE2-CB 4.02Å; F13-F36 HydrophobicContact CE1-CD1 4.36Å; F13-F36 AromaticContact CE1-CD2 3.65Å; F13-F36 HydrophobicContact CE1-CD2 3.65Å; F13-F36 AromaticContact CE1-CE2 3.81Å; F13-F36 HydrophobicContact CE1-CE2 3.81Å; F13-F36 AromaticContact CE1-CG 3.93Å; F13-F36 HydrophobicContact CE1-CG 3.93Å; F13-F36 HydrophobicContact CE1-CZ 4.22Å; F13-F36 HydrophobicContact CE2-CE2 4.21Å; F13-F36 HydrophobicContact CE2-CZ 4.45Å; F13-F36 AromaticContact CZ-CD2 3.56Å; F13-F36 HydrophobicContact CZ-CD2 3.56Å; F13-F36 HydrophobicContact CZ-CE1 4.5Å; F13-F36 AromaticContact CZ-CE2 3.28Å; F13-F36 HydrophobicContact CZ-CE2 3.28Å; F13-F36 HydrophobicContact CZ-CG 4.27Å; F13-F36 AromaticContact CZ-CZ 3.8Å; F13-F36 HydrophobicContact CZ-CZ 3.8Å; F13-L41 HydrophobicContact CD1-CD1 3.84Å; F13-L41 HydrophobicContact CE1-CD1 4Å; F13-I44 HydrophobicContact CD1-CG1 4.21Å; F13-I44 HydrophobicContact CE1-CD1 3.82Å; F13-I44 HydrophobicContact CE1-CG1 3.66Å; F13-I44 HydrophobicContact CE2-CD1 4.41Å; F13-I44 HydrophobicContact CE2-CG1 4.41Å; F13-I44 HydrophobicContact CZ-CD1 3.57Å; F13-I44 HydrophobicContact CZ-CG1 3.76Å; F13-I44 CarbonylContact O-C 3.51Å; F13-I44 WeakPolarHBondContact O-CA 3.27Å; F13-R45 PolarHBondContact O-N 2.84Å; F13-F352 CarbonylContact C-O 3.45Å; F13-F352 VanDerWaalsContact CA-O 3.24Å; F13-F352 WeakPolarHBondContact CA-O 3.4Å; F13-F352 HydrophobicContact CB-CB 4.48Å; F13-F357 HydrophobicContact CB-CE2 3.6Å; F13-F357 HydrophobicContact CB-CZ 3.78Å; F13-F357 AromaticContact CD1-CE2 3.77Å; F13-F357 HydrophobicContact CD1-CE2 3.77Å; F13-F357 AromaticContact CD2-CE2 3.95Å; F13-F357 HydrophobicContact CD2-CE2 3.95Å; F13-F357 HydrophobicContact CE1-CE2 4.4Å; F13-F357 HydrophobicContact CG-CD2 4.49Å; F13-F357 AromaticContact CG-CE2 3.51Å; F13-F357 HydrophobicContact CG-CE2 3.51Å; F13-F357 HydrophobicContact CG-CZ 4.21Å
14N95.7Very high93.3Very high1 Ų151.1 Ų51.11%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-90.5124.5175.1-73.8-93.6000110.5V16 R45 T317 T351 F352 W353 G355N14-V16 HydrophobicContact CB-CG2 4.46Å; N14-R45 CarbonylContact C-O 3.54Å; N14-R45 WeakPolarHBondContact CA-O 3.49Å; N14-R45 WeakPolarHBondContact OD1-CB 3.32Å; N14-R45 VanDerWaalsContact OD1-CD 3.25Å; N14-R45 WeakPolarHBondContact OD1-CD 3.3Å; N14-R45 WeakPolarHBondContact OD1-CG 3.39Å; N14-R45 PolarHBondContact OD1-NH1 2.91Å; N14-T317 PolarHBondContact ND2-O 2.99Å; N14-T351 PolarHBondContact ND2-O 2.8Å; N14-F352 PolarHBondContact N-O 3.3Å; N14-F352 PolarHBondContact ND2-O 3.42Å; N14-W353 HydrophobicContact CB-CD2 4.37Å; N14-W353 HydrophobicContact CB-CE3 3.4Å; N14-W353 HydrophobicContact CB-CZ3 3.65Å; N14-G355 WeakPolarHBondContact O-CA 3.48Å; N14-G355 PolarHBondContact O-N 3.5Å
15N94.5Very high93.2Very high9 Ų949.4 Ų49.45%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-113.296.5169.2-173.4-11.6000108.5F13 Q24 I44 R45 L46 G47 Y75F13-N15 HydrophobicContact CE2-CB 4.02Å; N15-Q24 VanDerWaalsContact OD1-CD 3.27Å; N15-Q24 WeakPolarHBondContact OD1-CG 3.41Å; N15-Q24 PolarHBondContact OD1-NE2 2.65Å; N15-I44 HydrophobicContact CB-CG2 3.63Å; N15-R45 PolarHBondContact N-O 2.88Å; N15-L46 HydrophobicContact CB-CD1 4.18Å; N15-L46 WeakPolarHBondContact O-CA 3.45Å; N15-G47 PolarHBondContact O-N 2.65Å; N15-Y75 PolarHBondContact ND2-OH 2.87Å
16V94.7Very high93.1Very high10 Ų1050.5 Ų50.56%0.06126%0.256CS..  trans-130.1132.2-175.7-178.40000109.1N14 K18 M49 H87 W353N14-V16 HydrophobicContact CB-CG2 4.46Å; V16-K18 HydrophobicContact CG1-CG 3.92Å; V16-M49 HydrophobicContact CG1-CE 4.23Å; V16-H87 HydrophobicContact CG1-CB 4.03Å; V16-W353 HydrophobicContact CB-CH2 4.03Å; V16-W353 HydrophobicContact CB-CZ3 4.32Å; V16-W353 HydrophobicContact CG1-CH2 4.48Å; V16-W353 HydrophobicContact CG2-CH2 4.16Å; V16-W353 HydrophobicContact CG2-CZ3 3.95Å
17Q95.2Very high92.8Very high33 Ų3343.6 Ų43.615%0.15423%0.229CC..  trans-115.5117.3169.7-176.872.422.700108.5D19 Q24Q17-D19 WeakPolarHBondContact CG-O 3.03Å; Q17-D19 PolarHBondContact NE2-OD1 2.95Å; Q17-D19 PolarHBondContact NE2-OD2 3.14Å; Q17-Q24 HydrophobicContact CB-CG 4.38Å
18K95Very high92.8Very high52 Ų5241.7 Ų41.723%0.22621%0.214CC..  trans-94.511.1-172.1-59.1-177.1-176.3-162.20113.7V16 W22 H87 D89 Y98V16-K18 HydrophobicContact CG1-CG 3.92Å; K18-W22 VanDerWaalsContact C-CZ3 3.46Å; K18-W22 VanDerWaalsContact O-CZ3 3.24Å; K18-W22 WeakPolarHBondContact O-CZ3 3.43Å; K18-H87 WeakPolarHBondContact CE-NE2 3.22Å; K18-H87 PolarHBondContact NZ-NE2 3.41Å; K18-H87 VanDerWaalsContact NZ-NE2 3.14Å; K18-D89 WeakPolarHBondContact CD-OD2 3.28Å; K18-D89 VanDerWaalsContact CE-OD2 3.31Å; K18-D89 WeakPolarHBondContact CE-OD2 3.21Å; K18-D89 IonicContact NZ-OD1 2.84Å; K18-D89 PolarHBondContact NZ-OD1 3.24Å; K18-D89 IonicContact NZ-OD2 2.82Å; K18-D89 PolarHBondContact NZ-OD2 3.42Å; K18-Y98 HydrophobicContact CB-CD1 3.9Å; K18-Y98 HydrophobicContact CB-CD2 4.21Å; K18-Y98 HydrophobicContact CB-CE1 3.81Å; K18-Y98 HydrophobicContact CB-CE2 4.1Å; K18-Y98 HydrophobicContact CB-CG 4.1Å; K18-Y98 HydrophobicContact CD-CD1 4.45Å; K18-Y98 HydrophobicContact CD-CE1 3.66Å; K18-Y98 HydrophobicContact CG-CE1 3.96Å; K18-Y98 HydrophobicContact CG-CE2 4.34Å; K18-Y98 WeakPolarHBondContact O-CB 3.33Å; K18-Y98 WeakPolarHBondContact O-CD2 3.2Å
19D93.9Very high92.8Very high84 Ų8440.9 Ų40.945%0.44921%0.214SC..SBendtrans-141.2162.1177.357.3-90.1000110.8Q17 W22Q17-D19 WeakPolarHBondContact CG-O 3.03Å; Q17-D19 PolarHBondContact NE2-OD1 2.95Å; Q17-D19 PolarHBondContact NE2-OD2 3.14Å; D19-W22 VanDerWaalsContact O-CA 3.25Å; D19-W22 WeakPolarHBondContact O-CA 3.12Å; D19-W22 PolarHBondContact O-N 2.77Å
20F94.2Very high92.6Very high161 Ų16143.4 Ų43.471%0.70623%0.226SC*.THydrogen-bonded Turntrans-58129.3177.1178.8-87.2000110.5
21P95.6Very high92.2Very high38 Ų3846.5 Ų46.525%0.24725%0.247CC..THydrogen-bonded Turncis-96.517.72138.7-38.2000116Y23P21-Y23 VanDerWaalsContact C-N 3.32Å; P21-Y23 HydrophobicContact CB-CD1 4.21Å; P21-Y23 HydrophobicContact CB-CE1 3.57Å; P21-Y23 HydrophobicContact CB-CE2 4.49Å; P21-Y23 HydrophobicContact CG-CD1 4.23Å; P21-Y23 HydrophobicContact CG-CD2 4.28Å; P21-Y23 HydrophobicContact CG-CE1 3.79Å; P21-Y23 HydrophobicContact CG-CE2 3.85Å; P21-Y23 HydrophobicContact CG-CG 4.46Å; P21-Y23 WeakPolarHBondContact O-CD1 3.29Å; P21-Y23 VanDerWaalsContact O-CE1 3.27Å; P21-Y23 WeakPolarHBondContact O-CE1 2.89Å
22W96.3Very high91.7Very high34 Ų3446.5 Ų46.513%0.12925%0.248CC..SBendtrans70.821.5176.6-42.3108000115.1K18 D19 M49 Y64 Y98K18-W22 VanDerWaalsContact C-CZ3 3.46Å; K18-W22 VanDerWaalsContact O-CZ3 3.24Å; K18-W22 WeakPolarHBondContact O-CZ3 3.43Å; D19-W22 VanDerWaalsContact O-CA 3.25Å; D19-W22 WeakPolarHBondContact O-CA 3.12Å; D19-W22 PolarHBondContact O-N 2.77Å; W22-M49 HydrophobicContact CB-CB 4.13Å; W22-M49 HydrophobicContact CB-CG 3.74Å; W22-M49 HydrophobicContact CD2-CB 4.1Å; W22-M49 HydrophobicContact CD2-CG 3.92Å; W22-M49 HydrophobicContact CE3-CB 4.13Å; W22-M49 HydrophobicContact CE3-CG 3.57Å; W22-M49 HydrophobicContact CE3-SD 4.45Å; W22-M49 HydrophobicContact CG-CB 4.14Å; W22-M49 HydrophobicContact CG-CG 4.04Å; W22-M49 HydrophobicContact CZ3-CG 4.36Å; W22-Y64 HydrophobicContact CB-CD2 4.46Å; W22-Y64 HydrophobicContact CB-CE2 3.65Å; W22-Y64 PolarHBondContact O-OH 2.76Å; W22-Y98 HydrophobicContact CH2-CD2 4.44Å; W22-Y98 AromaticContact CZ3-CD2 3.88Å; W22-Y98 HydrophobicContact CZ3-CD2 3.88Å
23Y94.4Very high91.5Very high65 Ų6546.5 Ų46.526%0.25525%0.247SC..SBendtrans-150.4152.5168.654.9-93.4000108.9P21 W28 Y64 V67P21-Y23 VanDerWaalsContact C-N 3.32Å; P21-Y23 HydrophobicContact CB-CD1 4.21Å; P21-Y23 HydrophobicContact CB-CE1 3.57Å; P21-Y23 HydrophobicContact CB-CE2 4.49Å; P21-Y23 HydrophobicContact CG-CD1 4.23Å; P21-Y23 HydrophobicContact CG-CD2 4.28Å; P21-Y23 HydrophobicContact CG-CE1 3.79Å; P21-Y23 HydrophobicContact CG-CE2 3.85Å; P21-Y23 HydrophobicContact CG-CG 4.46Å; P21-Y23 WeakPolarHBondContact O-CD1 3.29Å; P21-Y23 VanDerWaalsContact O-CE1 3.27Å; P21-Y23 WeakPolarHBondContact O-CE1 2.89Å; Y23-W28 AromaticContact CD2-CH2 3.5Å; Y23-W28 HydrophobicContact CD2-CH2 3.5Å; Y23-W28 VanDerWaalsContact CD2-CH2 3.5Å; Y23-W28 AromaticContact CD2-CZ3 3.65Å; Y23-W28 HydrophobicContact CD2-CZ3 3.65Å; Y23-W28 AromaticContact CE2-CH2 3.75Å; Y23-W28 HydrophobicContact CE2-CH2 3.75Å; Y23-W28 AromaticContact CE2-CZ3 3.85Å; Y23-W28 HydrophobicContact CE2-CZ3 3.85Å; Y23-W28 HydrophobicContact CG-CH2 4.13Å; Y23-Y64 HydrophobicContact CD1-CD2 4.24Å; Y23-Y64 HydrophobicContact CD1-CE2 4.18Å; Y23-V67 HydrophobicContact CD1-CG1 3.81Å; Y23-V67 HydrophobicContact CD2-CG1 4.31Å; Y23-V67 HydrophobicContact CE1-CG1 3.69Å; Y23-V67 HydrophobicContact CE2-CG1 4.2Å; Y23-V67 HydrophobicContact CG-CG1 4.12Å
24Q88.7Confident91.2Very high9 Ų950.6 Ų50.64%0.04227%0.267CS..  trans-73.2141.3179.6-57-169.33.100111N15 Q17 N26 A27 Y356N15-Q24 VanDerWaalsContact OD1-CD 3.27Å; N15-Q24 WeakPolarHBondContact OD1-CG 3.41Å; N15-Q24 PolarHBondContact OD1-NE2 2.65Å; Q17-Q24 HydrophobicContact CB-CG 4.38Å; Q24-N26 VanDerWaalsContact CB-OD1 3.26Å; Q24-N26 WeakPolarHBondContact CB-OD1 3.31Å; Q24-N26 PolarHBondContact O-N 3.09Å; Q24-N26 PolarHBondContact OE1-OD1 2.9Å; Q24-A27 HydrophobicContact CB-CB 4.45Å; Q24-A27 VanDerWaalsContact O-CB 3.24Å; Q24-A27 WeakPolarHBondContact O-CB 3.38Å; Q24-A27 PolarHBondContact O-N 2.92Å; Q24-A27 VanDerWaalsContact O-N 3.13Å; Q24-Y356 VanDerWaalsContact NE2-CE1 3.29Å
25G84.6Confident90.9Very high79 Ų7952.1 Ų52.181%0.81427%0.274SS*.THydrogen-bonded Turntrans-63.5-25.7-179.700000114.1
26N83.3Confident90.7Very high65 Ų6551.9 Ų51.935%0.34827%0.273SS..THydrogen-bonded Turntrans-93.86.8177.963-18.1000113.7Q24 W28 N29Q24-N26 VanDerWaalsContact CB-OD1 3.26Å; Q24-N26 WeakPolarHBondContact CB-OD1 3.31Å; Q24-N26 PolarHBondContact O-N 3.09Å; Q24-N26 PolarHBondContact OE1-OD1 2.9Å; N26-W28 PolarHBondContact O-N 2.97Å; N26-N29 VanDerWaalsContact O-CB 3.25Å; N26-N29 WeakPolarHBondContact O-CB 2.97Å; N26-N29 PolarHBondContact O-N 3.03Å
27A82.9Confident90.4Very high1 Ų155.4 Ų55.41%0.00829%0.288CS..THydrogen-bonded Turntrans-58.9-24.1-171.200000114.7Q24 L71Q24-A27 HydrophobicContact CB-CB 4.45Å; Q24-A27 VanDerWaalsContact O-CB 3.24Å; Q24-A27 WeakPolarHBondContact O-CB 3.38Å; Q24-A27 PolarHBondContact O-N 2.92Å; Q24-A27 VanDerWaalsContact O-N 3.13Å; A27-L71 HydrophobicContact CB-CD1 3.84Å; A27-L71 HydrophobicContact CB-CD2 3.83Å; A27-L71 HydrophobicContact CB-CG 4.48Å; A27-L71 WeakPolarHBondContact O-CD1 3.36Å
28W89.6Confident90.1Very high82 Ų8260 Ų6031%0.31131%0.314SS..THydrogen-bonded Turntrans-9611177.2-61.6-94.2000114.3Y23 N26 I30 V67 S70 L71 L74Y23-W28 AromaticContact CD2-CH2 3.5Å; Y23-W28 HydrophobicContact CD2-CH2 3.5Å; Y23-W28 VanDerWaalsContact CD2-CH2 3.5Å; Y23-W28 AromaticContact CD2-CZ3 3.65Å; Y23-W28 HydrophobicContact CD2-CZ3 3.65Å; Y23-W28 AromaticContact CE2-CH2 3.75Å; Y23-W28 HydrophobicContact CE2-CH2 3.75Å; Y23-W28 AromaticContact CE2-CZ3 3.85Å; Y23-W28 HydrophobicContact CE2-CZ3 3.85Å; Y23-W28 HydrophobicContact CG-CH2 4.13Å; N26-W28 PolarHBondContact O-N 2.97Å; W28-I30 PolarHBondContact O-N 3.48Å; W28-V67 HydrophobicContact CH2-CG1 3.35Å; W28-V67 HydrophobicContact CZ2-CG1 3.44Å; W28-V67 VanDerWaalsContact CZ2-CG1 3.44Å; W28-S70 PolarHBondContact NE1-OG 2.89Å; W28-L71 HydrophobicContact CZ2-CB 4.24Å; W28-L74 HydrophobicContact CB-CD2 4.12Å; W28-L74 HydrophobicContact CG-CD2 4.35Å
29N89.7Confident89.9Confident63 Ų6360 Ų6034%0.33731%0.313SS..  trans-68.3101.3178.4-175.5-28.7000110.1N26 T31 Q32 I33N26-N29 VanDerWaalsContact O-CB 3.25Å; N26-N29 WeakPolarHBondContact O-CB 2.97Å; N26-N29 PolarHBondContact O-N 3.03Å; N29-T31 VanDerWaalsContact C-N 3.29Å; N29-T31 PolarHBondContact O-N 2.96Å; N29-T31 WeakPolarHBondContact OD1-CB 3.42Å; N29-T31 PolarHBondContact OD1-N 2.62Å; N29-T31 VanDerWaalsContact OD1-N 3.09Å; N29-Q32 HydrophobicContact CB-CB 3.96Å; N29-Q32 WeakPolarHBondContact O-CB 3.43Å; N29-Q32 PolarHBondContact O-N 2.88Å; N29-Q32 VanDerWaalsContact O-N 3.12Å; N29-Q32 PolarHBondContact OD1-N 3.46Å; N29-Q32 VanDerWaalsContact OD1-N 3.15Å; N29-I33 WeakPolarHBondContact O-CG1 3.35Å; N29-I33 PolarHBondContact O-N 3.19Å
30I91Very high89.7Confident87 Ų8757 Ų5745%0.44630%0.302SS..Hα-helixtrans-58.4-40.8-177.6-64.8171.6000111.4W28 Q32 I33 Q34 L74W28-I30 PolarHBondContact O-N 3.48Å; I30-Q32 VanDerWaalsContact C-N 3.3Å; I30-Q32 PolarHBondContact O-N 3.48Å; I30-I33 PolarHBondContact O-N 2.94Å; I30-Q34 HydrophobicContact CG2-CG 4.16Å; I30-Q34 WeakPolarHBondContact O-CB 3.42Å; I30-Q34 WeakPolarHBondContact O-CG 3.31Å; I30-Q34 PolarHBondContact O-N 3.31Å; I30-L74 HydrophobicContact CG1-CD1 4.35Å
31T88.7Confident89.7Confident88 Ų8849.6 Ų49.654%0.5427%0.27SS..Hα-helixtrans-59.6-43.4178.3-530000111N29 Q34 M35N29-T31 VanDerWaalsContact C-N 3.29Å; N29-T31 PolarHBondContact O-N 2.96Å; N29-T31 WeakPolarHBondContact OD1-CB 3.42Å; N29-T31 PolarHBondContact OD1-N 2.62Å; N29-T31 VanDerWaalsContact OD1-N 3.09Å; T31-Q34 PolarHBondContact O-N 2.63Å; T31-M35 VanDerWaalsContact O-CG 3.3Å; T31-M35 WeakPolarHBondContact O-CG 3.17Å; T31-M35 PolarHBondContact O-N 3.03Å
32Q87.7Confident89.7Confident12 Ų1249.5 Ų49.56%0.05627%0.267CS..Hα-helixtrans-62.5-44.6175.9169.1173.265.700111.7N29 I30 Q34 M35 F36 I358N29-Q32 HydrophobicContact CB-CB 3.96Å; N29-Q32 WeakPolarHBondContact O-CB 3.43Å; N29-Q32 PolarHBondContact O-N 2.88Å; N29-Q32 VanDerWaalsContact O-N 3.12Å; N29-Q32 PolarHBondContact OD1-N 3.46Å; N29-Q32 VanDerWaalsContact OD1-N 3.15Å; I30-Q32 VanDerWaalsContact C-N 3.3Å; I30-Q32 PolarHBondContact O-N 3.48Å; Q32-Q34 PolarHBondContact O-N 2.97Å; Q32-M35 WeakPolarHBondContact O-CB 3.04Å; Q32-M35 PolarHBondContact O-N 3.11Å; Q32-F36 HydrophobicContact CG-CD2 4.13Å; Q32-F36 HydrophobicContact CG-CE1 3.94Å; Q32-F36 HydrophobicContact CG-CE2 3.34Å; Q32-F36 HydrophobicContact CG-CZ 3.24Å; Q32-F36 WeakPolarHBondContact O-CD2 3.15Å; Q32-F36 VanDerWaalsContact O-CG 3.29Å; Q32-F36 WeakPolarHBondContact O-CG 3.42Å; Q32-F36 PolarHBondContact O-N 3.13Å; Q32-I358 HydrophobicContact CB-CD1 3.74Å; Q32-I358 HydrophobicContact CG-CD1 3.57Å; Q32-I358 HydrophobicContact CG-CG1 4.36Å
33I90.1Very high89.8Confident1 Ų147.9 Ų47.91%0.00526%0.261CS..Hα-helixtrans-65.9-40179.8-63.1173.7000111.2N29 I30 M35 F36 Q37 L74 Y75 H78 I80N29-I33 WeakPolarHBondContact O-CG1 3.35Å; N29-I33 PolarHBondContact O-N 3.19Å; I30-I33 PolarHBondContact O-N 2.94Å; I33-M35 VanDerWaalsContact C-N 3.31Å; I33-M35 PolarHBondContact O-N 3.35Å; I33-F36 WeakPolarHBondContact O-CB 3.38Å; I33-F36 PolarHBondContact O-N 3.36Å; I33-Q37 PolarHBondContact O-N 2.95Å; I33-L74 HydrophobicContact CD1-CD2 3.33Å; I33-L74 HydrophobicContact CD1-CG 3.59Å; I33-Y75 HydrophobicContact CD1-CD1 4.11Å; I33-Y75 HydrophobicContact CD1-CE1 3.82Å; I33-Y75 HydrophobicContact CG1-CD1 4.45Å; I33-Y75 HydrophobicContact CG1-CE1 4.02Å; I33-Y75 HydrophobicContact CG2-CD1 4.34Å; I33-H78 HydrophobicContact CG2-CB 3.72Å; I33-H78 VanDerWaalsContact CG2-CG 3.49Å; I33-I80 HydrophobicContact CG2-CD1 3.92Å
34Q90.6Very high89.9Confident89 Ų8944.8 Ų44.842%0.41625%0.249SC..Hα-helixtrans-63.5-37.1173.6-73.4176.3-14.900111.8I30 T31 Q32 Q37 N38I30-Q34 HydrophobicContact CG2-CG 4.16Å; I30-Q34 WeakPolarHBondContact O-CB 3.42Å; I30-Q34 WeakPolarHBondContact O-CG 3.31Å; I30-Q34 PolarHBondContact O-N 3.31Å; T31-Q34 PolarHBondContact O-N 2.63Å; Q32-Q34 PolarHBondContact O-N 2.97Å; Q34-Q37 PolarHBondContact O-N 3.22Å; Q34-N38 WeakPolarHBondContact O-CB 3.28Å; Q34-N38 PolarHBondContact O-N 3.41Å; Q34-N38 PolarHBondContact O-ND2 2.95Å
35M88.6Confident90.3Very high33 Ų3344.4 Ų44.416%0.16325%0.247CC..Hα-helixtrans-61.5-45.4172.1-72.9170.659.500111.4T31 Q32 I33 Q37 N38 W39 I358 P364T31-M35 VanDerWaalsContact O-CG 3.3Å; T31-M35 WeakPolarHBondContact O-CG 3.17Å; T31-M35 PolarHBondContact O-N 3.03Å; Q32-M35 WeakPolarHBondContact O-CB 3.04Å; Q32-M35 PolarHBondContact O-N 3.11Å; I33-M35 VanDerWaalsContact C-N 3.31Å; I33-M35 PolarHBondContact O-N 3.35Å; M35-Q37 VanDerWaalsContact C-N 3.33Å; M35-Q37 PolarHBondContact O-N 3Å; M35-N38 PolarHBondContact O-N 3.09Å; M35-N38 VanDerWaalsContact O-N 3.16Å; M35-W39 HydrophobicContact CB-CZ2 4.48Å; M35-W39 HydrophobicContact CE-CH2 4.1Å; M35-W39 HydrophobicContact CE-CZ2 3.65Å; M35-W39 VanDerWaalsContact O-CG 3.26Å; M35-W39 PolarHBondContact O-N 3.33Å; M35-I358 HydrophobicContact CE-CD1 3.59Å; M35-I358 HydrophobicContact CE-CG1 4.3Å; M35-I358 HydrophobicContact SD-CD1 3.67Å; M35-P364 HydrophobicContact CE-CB 3.75Å; M35-P364 HydrophobicContact CE-CG 3.59Å
36F89.4Confident91Very high3 Ų340.8 Ų40.81%0.01321%0.209CC..Hα-helixtrans-59.4-44.8176.5-60.1-24.3000112.1F13 Q32 I33 N38 W39 G40 L41 F357 I358F13-F36 HydrophobicContact CE1-CD1 4.36Å; F13-F36 AromaticContact CE1-CD2 3.65Å; F13-F36 HydrophobicContact CE1-CD2 3.65Å; F13-F36 AromaticContact CE1-CE2 3.81Å; F13-F36 HydrophobicContact CE1-CE2 3.81Å; F13-F36 AromaticContact CE1-CG 3.93Å; F13-F36 HydrophobicContact CE1-CG 3.93Å; F13-F36 HydrophobicContact CE1-CZ 4.22Å; F13-F36 HydrophobicContact CE2-CE2 4.21Å; F13-F36 HydrophobicContact CE2-CZ 4.45Å; F13-F36 AromaticContact CZ-CD2 3.56Å; F13-F36 HydrophobicContact CZ-CD2 3.56Å; F13-F36 HydrophobicContact CZ-CE1 4.5Å; F13-F36 AromaticContact CZ-CE2 3.28Å; F13-F36 HydrophobicContact CZ-CE2 3.28Å; F13-F36 HydrophobicContact CZ-CG 4.27Å; F13-F36 AromaticContact CZ-CZ 3.8Å; F13-F36 HydrophobicContact CZ-CZ 3.8Å; Q32-F36 HydrophobicContact CG-CD2 4.13Å; Q32-F36 HydrophobicContact CG-CE1 3.94Å; Q32-F36 HydrophobicContact CG-CE2 3.34Å; Q32-F36 HydrophobicContact CG-CZ 3.24Å; Q32-F36 WeakPolarHBondContact O-CD2 3.15Å; Q32-F36 VanDerWaalsContact O-CG 3.29Å; Q32-F36 WeakPolarHBondContact O-CG 3.42Å; Q32-F36 PolarHBondContact O-N 3.13Å; I33-F36 WeakPolarHBondContact O-CB 3.38Å; I33-F36 PolarHBondContact O-N 3.36Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 3.27Å; F36-W39 HydrophobicContact CD1-CE3 4.07Å; F36-W39 AromaticContact CD1-CZ3 3.95Å; F36-W39 HydrophobicContact CD1-CZ3 3.95Å; F36-W39 HydrophobicContact CE1-CZ3 4.07Å; F36-W39 PolarHBondContact O-N 2.73Å; F36-G40 PolarHBondContact O-N 2.78Å; F36-L41 HydrophobicContact CB-CB 4.31Å; F36-L41 HydrophobicContact CB-CD1 3.82Å; F36-L41 HydrophobicContact CD1-CD1 4.06Å; F36-L41 HydrophobicContact CG-CD1 4.13Å; F36-L41 VanDerWaalsContact O-CB 3.27Å; F36-L41 WeakPolarHBondContact O-CB 3.46Å; F36-L41 WeakPolarHBondContact O-CG 3.21Å; F36-L41 PolarHBondContact O-N 3.15Å; F36-L41 VanDerWaalsContact O-N 3.09Å; F36-F357 HydrophobicContact CE1-CB 4.3Å; F36-F357 AromaticContact CE1-CD2 3.77Å; F36-F357 HydrophobicContact CE1-CD2 3.77Å; F36-F357 HydrophobicContact CZ-CD2 4.22Å; F36-I358 HydrophobicContact CE1-CD1 4.46Å
37Q89.2Confident91.7Very high84 Ų8437.8 Ų37.839%0.39319%0.194SC..Hα-helixtrans-60.1-43.4174.9-171.7-176.234.600111.7I33 Q34 M35 W39 G40 H78I33-Q37 PolarHBondContact O-N 2.95Å; Q34-Q37 PolarHBondContact O-N 3.22Å; M35-Q37 VanDerWaalsContact C-N 3.33Å; M35-Q37 PolarHBondContact O-N 3Å; Q37-W39 PolarHBondContact O-N 2.83Å; Q37-G40 PolarHBondContact O-N 2.9Å; Q37-H78 PolarHBondContact NE2-O 3.27Å
38N89.8Confident92.4Very high131 Ų13137.8 Ų37.870%0.70119%0.193SC*.Hα-helixtrans-67.1-24.7178.1-71.1-23.9000113Q34 M35 F36 G40Q34-N38 WeakPolarHBondContact O-CB 3.28Å; Q34-N38 PolarHBondContact O-N 3.41Å; Q34-N38 PolarHBondContact O-ND2 2.95Å; M35-N38 PolarHBondContact O-N 3.09Å; M35-N38 VanDerWaalsContact O-N 3.16Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 3.27Å; N38-G40 PolarHBondContact O-N 2.85Å
39W88.9Confident92.8Very high50 Ų5033.9 Ų33.919%0.18918%0.179CC..THydrogen-bonded Turntrans-827.6170.5-59.1-13.7000113M35 F36 Q37 L41 F357 P364 V369 W380M35-W39 HydrophobicContact CB-CZ2 4.48Å; M35-W39 HydrophobicContact CE-CH2 4.1Å; M35-W39 HydrophobicContact CE-CZ2 3.65Å; M35-W39 VanDerWaalsContact O-CG 3.26Å; M35-W39 PolarHBondContact O-N 3.33Å; F36-W39 HydrophobicContact CD1-CE3 4.07Å; F36-W39 AromaticContact CD1-CZ3 3.95Å; F36-W39 HydrophobicContact CD1-CZ3 3.95Å; F36-W39 HydrophobicContact CE1-CZ3 4.07Å; F36-W39 PolarHBondContact O-N 2.73Å; Q37-W39 PolarHBondContact O-N 2.83Å; W39-L41 HydrophobicContact CB-CG 4.26Å; W39-L41 HydrophobicContact CE3-CD1 4.21Å; W39-L41 PolarHBondContact O-N 3.16Å; W39-F357 HydrophobicContact CH2-CB 4.05Å; W39-F357 HydrophobicContact CZ3-CB 3.83Å; W39-F357 HydrophobicContact CZ3-CD2 4.29Å; W39-F357 HydrophobicContact CZ3-CG 4.1Å; W39-P364 HydrophobicContact CH2-CB 4.06Å; W39-P364 HydrophobicContact CZ2-CB 3.85Å; W39-P364 HydrophobicContact CZ2-CG 4.49Å; W39-V369 HydrophobicContact CD2-CG1 4.38Å; W39-V369 HydrophobicContact CH2-CB 4.28Å; W39-V369 HydrophobicContact CH2-CG1 4.02Å; W39-V369 HydrophobicContact CH2-CG2 3.22Å; W39-V369 HydrophobicContact CZ2-CB 4.4Å; W39-V369 HydrophobicContact CZ2-CG1 3.76Å; W39-V369 HydrophobicContact CZ2-CG2 3.67Å; W39-V369 HydrophobicContact CZ3-CG1 4.39Å; W39-V369 HydrophobicContact CZ3-CG2 3.82Å; W39-W380 WeakPolarHBondContact O-CB 3.47Å
40G90.6Very high93.2Very high21 Ų2130.9 Ų30.922%0.21616%0.163CC..THydrogen-bonded Turntrans74.111.217900000114.2F36 Q37 N38 N42F36-G40 PolarHBondContact O-N 2.78Å; Q37-G40 PolarHBondContact O-N 2.9Å; N38-G40 PolarHBondContact O-N 2.85Å; G40-N42 PolarHBondContact O-N 3.36Å
41L93.7Very high93.6Very high7 Ų727.2 Ų27.24%0.03715%0.145CC..  trans-69.2130.8174.8-56178.4000109.7R11 F13 F36 W39 W380R11-L41 WeakPolarHBondContact O-CA 3.13Å; F13-L41 HydrophobicContact CD1-CD1 3.84Å; F13-L41 HydrophobicContact CE1-CD1 4Å; F36-L41 HydrophobicContact CB-CB 4.31Å; F36-L41 HydrophobicContact CB-CD1 3.82Å; F36-L41 HydrophobicContact CD1-CD1 4.06Å; F36-L41 HydrophobicContact CG-CD1 4.13Å; F36-L41 VanDerWaalsContact O-CB 3.27Å; F36-L41 WeakPolarHBondContact O-CB 3.46Å; F36-L41 WeakPolarHBondContact O-CG 3.21Å; F36-L41 PolarHBondContact O-N 3.15Å; F36-L41 VanDerWaalsContact O-N 3.09Å; W39-L41 HydrophobicContact CB-CG 4.26Å; W39-L41 HydrophobicContact CE3-CD1 4.21Å; W39-L41 PolarHBondContact O-N 3.16Å; L41-W380 HydrophobicContact CD2-CE3 3.85Å; L41-W380 HydrophobicContact CD2-CH2 3.46Å; L41-W380 VanDerWaalsContact CD2-CH2 3.46Å; L41-W380 HydrophobicContact CD2-CZ3 3.06Å; L41-W380 HydrophobicContact CG-CZ3 4.3Å
42N96Very high94Very high35 Ų3523 Ų2319%0.18712%0.119CC..  trans-131.35.4-17568.37.6000113.5L9 F10 R11 G40 Y81L9-N42 PolarHBondContact O-ND2 2.89Å; F10-N42 WeakPolarHBondContact CA-OD1 3.32Å; R11-N42 PolarHBondContact N-OD1 2.87Å; R11-N42 PolarHBondContact O-N 2.95Å; R11-N42 PolarHBondContact O-OD1 2.95Å; G40-N42 PolarHBondContact O-N 3.36Å; N42-Y81 WeakPolarHBondContact O-CD2 3.05Å; N42-Y81 PolarHBondContact O-N 2.81Å
43V97.8Very high94.5Very high0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-146.1148.717570.40000111.1F10 R11 G12 Y81 I83 L174 F315 T351F10-V43 HydrophobicContact CB-CB 4.04Å; F10-V43 HydrophobicContact CB-CG1 3.77Å; F10-V43 HydrophobicContact CD1-CB 4.08Å; F10-V43 HydrophobicContact CD1-CG2 4.49Å; F10-V43 HydrophobicContact CG-CB 4.47Å; R11-V43 PolarHBondContact O-N 3.48Å; G12-V43 WeakPolarHBondContact CA-O 3.25Å; V43-Y81 CarbonylContact C-O 3.49Å; V43-Y81 VanDerWaalsContact CA-O 3.24Å; V43-Y81 WeakPolarHBondContact CA-O 3.5Å; V43-I83 HydrophobicContact CG2-CD1 4.04Å; V43-I83 HydrophobicContact CG2-CG1 4.05Å; V43-L174 HydrophobicContact CG2-CD2 4.32Å; V43-F315 HydrophobicContact CG1-CZ 4.12Å; V43-T351 HydrophobicContact CG1-CG2 3.7Å
44I96.8Very high94.9Very high1 Ų123 Ų231%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-129.1128.8168.1-67.6173.3000108.2F13 N15 L46 Y75 I80 Y81 V82 I83F13-I44 HydrophobicContact CD1-CG1 4.21Å; F13-I44 HydrophobicContact CE1-CD1 3.82Å; F13-I44 HydrophobicContact CE1-CG1 3.66Å; F13-I44 HydrophobicContact CE2-CD1 4.41Å; F13-I44 HydrophobicContact CE2-CG1 4.41Å; F13-I44 HydrophobicContact CZ-CD1 3.57Å; F13-I44 HydrophobicContact CZ-CG1 3.76Å; F13-I44 CarbonylContact O-C 3.51Å; F13-I44 WeakPolarHBondContact O-CA 3.27Å; N15-I44 HydrophobicContact CB-CG2 3.63Å; I44-L46 HydrophobicContact CG2-CB 4.24Å; I44-L46 PolarHBondContact O-N 3.09Å; I44-Y75 HydrophobicContact CD1-CD1 3.78Å; I44-Y75 HydrophobicContact CD1-CD2 4.26Å; I44-Y75 HydrophobicContact CD1-CE1 3.37Å; I44-Y75 HydrophobicContact CD1-CE2 3.85Å; I44-Y75 HydrophobicContact CD1-CG 4.23Å; I44-Y75 HydrophobicContact CG2-CE2 4.4Å; I44-I80 HydrophobicContact CB-CG2 4.36Å; I44-I80 HydrophobicContact CD1-CG2 3.84Å; I44-I80 HydrophobicContact CG1-CG2 3.77Å; I44-Y81 PolarHBondContact N-O 3.15Å; I44-V82 CarbonylContact O-C 3.58Å; I44-V82 VanDerWaalsContact O-CA 3.29Å; I44-V82 WeakPolarHBondContact O-CA 3.42Å; I44-I83 PolarHBondContact O-N 3.13Å
45R98.2Very high95.3Very high0 Ų021.7 Ų21.70%012%0.118CC..EExtended strand (participates in β ladder)trans-82.298.6165.2-177.2163.9175.9-97.59.4107.2F13 N14 N15 I83 D85 D177 N180 E227 E318 T351F13-R45 PolarHBondContact O-N 2.84Å; N14-R45 CarbonylContact C-O 3.54Å; N14-R45 WeakPolarHBondContact CA-O 3.49Å; N14-R45 WeakPolarHBondContact OD1-CB 3.32Å; N14-R45 VanDerWaalsContact OD1-CD 3.25Å; N14-R45 WeakPolarHBondContact OD1-CD 3.3Å; N14-R45 WeakPolarHBondContact OD1-CG 3.39Å; N14-R45 PolarHBondContact OD1-NH1 2.91Å; N15-R45 PolarHBondContact N-O 2.88Å; R45-I83 CarbonylContact C-O 3.5Å; R45-I83 HydrophobicContact CB-CB 4.47Å; R45-I83 HydrophobicContact CG-CB 4.45Å; R45-D85 HydrophobicContact CG-CB 3.78Å; R45-D85 IonicContact CZ-OD1 3.63Å; R45-D85 IonicContact CZ-OD2 3.51Å; R45-D85 IonicContact NE-OD2 2.78Å; R45-D85 IonicContact NH1-OD2 2.59Å; R45-D85 PolarHBondContact NH1-OD2 3.32Å; R45-D85 IonicContact NH2-OD1 3.02Å; R45-D85 PolarHBondContact NH2-OD1 3.24Å; R45-D85 IonicContact NH2-OD2 3.36Å; R45-D85 PolarHBondContact NH2-OD2 2.72Å; R45-D177 IonicContact CZ-OD2 3.4Å; R45-D177 IonicContact NE-OD2 2.64Å; R45-D177 PolarHBondContact NE-OD2 2.81Å; R45-D177 IonicContact NH2-OD2 3.72Å; R45-D177 PolarHBondContact NH2-OD2 2.97Å; R45-N180 PolarHBondContact NH1-OD1 2.78Å; R45-N180 PolarHBondContact NH2-OD1 3.32Å; R45-E227 IonicContact CZ-OE1 2.99Å; R45-E227 IonicContact NH2-OE1 3.22Å; R45-E227 PolarHBondContact NH2-OE1 3.42Å; R45-E318 IonicContact NH1-OE2 3.42Å; R45-E318 PolarHBondContact NH1-OE2 3.47Å; R45-T351 HydrophobicContact CB-CG2 4.1Å
46L97.8Very high95.6Very high3 Ų323.6 Ų23.62%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-95.5117.5-171.1-179.363000109.4N15 I44 I48 M68 L71 I72 Y75 V82 I83 L84 D85N15-L46 HydrophobicContact CB-CD1 4.18Å; N15-L46 WeakPolarHBondContact O-CA 3.45Å; I44-L46 HydrophobicContact CG2-CB 4.24Å; I44-L46 PolarHBondContact O-N 3.09Å; L46-I48 PolarHBondContact O-N 3.45Å; L46-M68 HydrophobicContact CD1-CE 3.97Å; L46-M68 HydrophobicContact CD2-CE 3.74Å; L46-M68 HydrophobicContact CG-CE 3.72Å; L46-L71 HydrophobicContact CD1-CD2 3.85Å; L46-L71 HydrophobicContact CD2-CD2 4.23Å; L46-I72 HydrophobicContact CD2-CG1 3.98Å; L46-Y75 HydrophobicContact CD1-CE2 4.39Å; L46-Y75 HydrophobicContact CD2-CE2 4.29Å; L46-V82 HydrophobicContact CD2-CG1 4.44Å; L46-I83 PolarHBondContact N-O 2.7Å; L46-L84 HydrophobicContact CB-CD2 4.38Å; L46-L84 HydrophobicContact CD2-CD2 4.16Å; L46-D85 PolarHBondContact O-N 3.36Å
47G97.9Very high96Very high3 Ų326.4 Ų26.43%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-62.9126.8176.900000111.3N15 M68N15-G47 PolarHBondContact O-N 2.65Å; G47-M68 VanDerWaalsContact O-CE 3.28Å; G47-M68 WeakPolarHBondContact O-CE 3.14Å
48I98.2Very high96.3Very high0 Ų027.5 Ų27.50%016%0.161CC..  trans-121.8101172.4-171.574.8000109.1L46 V53 Y64 M68 L84 D85 F159 I163 Y167L46-I48 PolarHBondContact O-N 3.45Å; I48-V53 HydrophobicContact CD1-CG2 4.19Å; I48-V53 HydrophobicContact CG1-CG2 4.02Å; I48-Y64 HydrophobicContact CD1-CD1 4.49Å; I48-Y64 HydrophobicContact CD1-CE1 3.53Å; I48-Y64 HydrophobicContact CG1-CE1 4.38Å; I48-M68 HydrophobicContact CD1-CB 4.22Å; I48-M68 HydrophobicContact CD1-CE 4.14Å; I48-M68 HydrophobicContact CD1-CG 3.85Å; I48-L84 HydrophobicContact CG2-CB 3.93Å; I48-D85 WeakPolarHBondContact CG2-O 3.09Å; I48-D85 PolarHBondContact N-O 3.21Å; I48-F159 HydrophobicContact CG1-CZ 4.48Å; I48-F159 HydrophobicContact CG2-CZ 4.13Å; I48-I163 HydrophobicContact CD1-CD1 4.02Å; I48-I163 HydrophobicContact CG1-CD1 3.59Å; I48-I163 HydrophobicContact CG1-CG1 4.4Å; I48-Y167 HydrophobicContact CD1-CE2 4.38Å
49M98.4Very high96.6Very high0 Ų025.8 Ų25.80%015%0.15CC..  trans-77.4132.4-169.5-59.1-56.896.900110.9V16 W22 S51 G52 V53 Y64 H87 Y98V16-M49 HydrophobicContact CG1-CE 4.23Å; W22-M49 HydrophobicContact CB-CB 4.13Å; W22-M49 HydrophobicContact CB-CG 3.74Å; W22-M49 HydrophobicContact CD2-CB 4.1Å; W22-M49 HydrophobicContact CD2-CG 3.92Å; W22-M49 HydrophobicContact CE3-CB 4.13Å; W22-M49 HydrophobicContact CE3-CG 3.57Å; W22-M49 HydrophobicContact CE3-SD 4.45Å; W22-M49 HydrophobicContact CG-CB 4.14Å; W22-M49 HydrophobicContact CG-CG 4.04Å; W22-M49 HydrophobicContact CZ3-CG 4.36Å; M49-S51 VanDerWaalsContact C-N 3.28Å; M49-S51 PolarHBondContact O-N 3.12Å; M49-G52 WeakPolarHBondContact O-CA 3.33Å; M49-G52 PolarHBondContact O-N 3.35Å; M49-V53 PolarHBondContact O-N 3.41Å; M49-Y64 PolarHBondContact N-OH 2.88Å; M49-Y64 VanDerWaalsContact N-OH 3.11Å; M49-H87 HydrophobicContact CE-CB 3.31Å; M49-H87 HydrophobicContact SD-CB 4.08Å; M49-Y98 HydrophobicContact SD-CE2 4.3Å
50W98.6Very high97.1Very high0 Ų026.2 Ų26.20%016%0.158CC..Hα-helixtrans-60-41.9174.3-172.2-4.8000110.9G52 V53 K54 M86 G100 I101 P102 L105 H155 W156 F159W50-G52 PolarHBondContact O-N 3.1Å; W50-V53 PolarHBondContact O-N 3.45Å; W50-K54 PolarHBondContact O-N 2.62Å; W50-M86 HydrophobicContact CB-CG 4.35Å; W50-M86 HydrophobicContact CB-SD 4.2Å; W50-M86 HydrophobicContact CE3-CE 4.41Å; W50-M86 HydrophobicContact CE3-SD 4.22Å; W50-G100 WeakPolarHBondContact CB-O 3.25Å; W50-I101 HydrophobicContact CE3-CD1 3.83Å; W50-I101 HydrophobicContact CE3-CG2 4.43Å; W50-I101 HydrophobicContact CZ3-CD1 3.88Å; W50-I101 HydrophobicContact CZ3-CG2 4.18Å; W50-P102 HydrophobicContact CB-CG 4.11Å; W50-P102 HydrophobicContact CD2-CG 3.85Å; W50-P102 HydrophobicContact CG-CG 3.56Å; W50-L105 HydrophobicContact CH2-CD2 3.48Å; W50-L105 VanDerWaalsContact CH2-CD2 3.48Å; W50-L105 HydrophobicContact CZ2-CD2 3.84Å; W50-L105 HydrophobicContact CZ3-CD2 4.3Å; W50-H155 HydrophobicContact CZ2-CB 3.89Å; W50-H155 WeakPolarHBondContact CZ2-O 3.42Å; W50-W156 HydrophobicContact CE3-CG 4.5Å; W50-W156 VanDerWaalsContact CH2-CA 3.41Å; W50-W156 HydrophobicContact CH2-CB 3.43Å; W50-W156 VanDerWaalsContact CH2-CB 3.43Å; W50-W156 AromaticContact CH2-CG 3.84Å; W50-W156 HydrophobicContact CH2-CG 3.84Å; W50-W156 VanDerWaalsContact CZ2-CA 3.48Å; W50-W156 HydrophobicContact CZ2-CB 4.06Å; W50-W156 HydrophobicContact CZ3-CB 3.87Å; W50-W156 AromaticContact CZ3-CD1 3.92Å; W50-W156 HydrophobicContact CZ3-CD2 4.17Å; W50-W156 AromaticContact CZ3-CG 3.73Å; W50-W156 HydrophobicContact CZ3-CG 3.73Å; W50-F159 HydrophobicContact CB-CD2 3.95Å; W50-F159 HydrophobicContact CB-CE2 4.04Å; W50-F159 HydrophobicContact CB-CG 4.4Å; W50-F159 AromaticContact CD1-CD2 3.65Å; W50-F159 AromaticContact CD1-CG 3.88Å; W50-F159 HydrophobicContact CD2-CB 4.31Å; W50-F159 HydrophobicContact CD2-CG 4.42Å; W50-F159 HydrophobicContact CG-CB 4.17Å; W50-F159 AromaticContact CG-CD2 3.85Å; W50-F159 HydrophobicContact CG-CD2 3.85Å; W50-F159 HydrophobicContact CG-CE2 4.44Å; W50-F159 AromaticContact CG-CG 3.99Å; W50-F159 HydrophobicContact CG-CG 3.99Å
51S98.2Very high97.4Very high11 Ų1127.4 Ų27.48%0.07716%0.16CC..Hα-helixtrans-65.5-25.8173-64.20000114M49 P55 D99 P102M49-S51 VanDerWaalsContact C-N 3.28Å; M49-S51 PolarHBondContact O-N 3.12Å; S51-P55 VanDerWaalsContact O-CA 3.24Å; S51-P55 WeakPolarHBondContact O-CA 3.05Å; S51-P55 WeakPolarHBondContact O-CB 3.34Å; S51-D99 WeakPolarHBondContact CB-O 3.42Å; S51-D99 WeakPolarHBondContact OG-CB 3.32Å; S51-D99 PolarHBondContact OG-O 3.1Å; S51-P102 WeakPolarHBondContact OG-CA 3.06Å
52G98.2Very high97.7Very high0 Ų031.1 Ų31.10%018%0.183CC..Hα-helixtrans-68.8-49.117200000111.6M49 W50 N61 Y64M49-G52 WeakPolarHBondContact O-CA 3.33Å; M49-G52 PolarHBondContact O-N 3.35Å; W50-G52 PolarHBondContact O-N 3.1Å; G52-N61 WeakPolarHBondContact O-CB 3.42Å; G52-N61 PolarHBondContact O-ND2 3Å; G52-Y64 WeakPolarHBondContact O-CD1 3.27Å
53V98.7Very high97.8Very high0 Ų034.1 Ų34.10%020%0.203CC..Hα-helixtrans-70.1-42.6-179.4175.10000112.3I48 M49 W50 N61 Y64 L65 F159 I162 I163I48-V53 HydrophobicContact CD1-CG2 4.19Å; I48-V53 HydrophobicContact CG1-CG2 4.02Å; M49-V53 PolarHBondContact O-N 3.41Å; W50-V53 PolarHBondContact O-N 3.45Å; V53-N61 PolarHBondContact O-N 2.88Å; V53-Y64 HydrophobicContact CG2-CD1 4Å; V53-Y64 HydrophobicContact CG2-CE1 3.81Å; V53-L65 HydrophobicContact CG1-CD2 4.22Å; V53-L65 HydrophobicContact CG2-CD2 4.02Å; V53-F159 HydrophobicContact CB-CD2 3.8Å; V53-F159 HydrophobicContact CB-CE2 3.89Å; V53-F159 HydrophobicContact CG1-CD2 3.97Å; V53-F159 HydrophobicContact CG1-CE2 4.39Å; V53-F159 HydrophobicContact CG2-CD2 3.98Å; V53-F159 HydrophobicContact CG2-CE2 3.55Å; V53-I162 HydrophobicContact CG1-CB 4.27Å; V53-I162 HydrophobicContact CG1-CD1 4.26Å; V53-I162 HydrophobicContact CG1-CG2 3.76Å; V53-I163 HydrophobicContact CG2-CD1 3.84Å
54K98.2Very high97.8Very high11 Ų1134.5 Ų34.55%0.04820%0.204CC..  trans-134.570.8-171.8-160165.7-172.5-111.60110.5W50 N56 I57 I59 W104 D158W50-K54 PolarHBondContact O-N 2.62Å; K54-N56 VanDerWaalsContact CG-O 3.28Å; K54-N56 WeakPolarHBondContact CG-O 2.99Å; K54-N56 PolarHBondContact O-N 2.87Å; K54-N56 VanDerWaalsContact O-N 3.11Å; K54-I57 WeakPolarHBondContact CE-O 3.3Å; K54-I57 PolarHBondContact NZ-O 3.16Å; K54-I59 WeakPolarHBondContact CG-O 3.3Å; K54-W104 HydrophobicContact CD-CZ2 4.24Å; K54-W104 HydrophobicContact CG-CZ2 4.15Å; K54-W104 PolarHBondContact O-NE1 3.4Å; K54-D158 IonicContact NZ-OD2 3.82Å
55P97.6Very high97.9Very high62 Ų6234.8 Ų34.840%0.40321%0.206SC..SBendtrans-64.8-17.1-176.426.6-36000113.3S51 I59 N61 W104S51-P55 VanDerWaalsContact O-CA 3.24Å; S51-P55 WeakPolarHBondContact O-CA 3.05Å; S51-P55 WeakPolarHBondContact O-CB 3.34Å; P55-I59 HydrophobicContact CG-CG2 4.4Å; P55-N61 HydrophobicContact CG-CB 4.12Å; P55-W104 VanDerWaalsContact O-CD1 3.28Å
56N96.2Very high97.8Very high73 Ų7338.9 Ų38.939%0.3923%0.228SC..BIsolated β-bridgetrans-142.9157.8174.4-172.2-70.5000109.7K54 S58 I59 W104K54-N56 VanDerWaalsContact CG-O 3.28Å; K54-N56 WeakPolarHBondContact CG-O 2.99Å; K54-N56 PolarHBondContact O-N 2.87Å; K54-N56 VanDerWaalsContact O-N 3.11Å; N56-S58 PolarHBondContact O-N 3.42Å; N56-S58 VanDerWaalsContact O-N 3.1Å; N56-S58 PolarHBondContact OD1-N 3.44Å; N56-I59 HydrophobicContact CB-CB 4.25Å; N56-I59 HydrophobicContact CB-CD1 4.21Å; N56-I59 HydrophobicContact CB-CG1 4.29Å; N56-I59 PolarHBondContact O-N 2.84Å; N56-W104 VanDerWaalsContact CA-CD1 3.5Å
57I96.3Very high97.8Very high63 Ų6340.2 Ų40.232%0.32324%0.236SC..THydrogen-bonded Turntrans-53-33.2-179.5-164.8169.7000113.9K54 W104K54-I57 WeakPolarHBondContact CE-O 3.3Å; K54-I57 PolarHBondContact NZ-O 3.16Å; I57-W104 HydrophobicContact CB-CD2 4.1Å; I57-W104 HydrophobicContact CB-CE3 3.69Å; I57-W104 HydrophobicContact CB-CH2 4.36Å; I57-W104 HydrophobicContact CB-CZ3 3.85Å; I57-W104 HydrophobicContact CD1-CE3 4.29Å; I57-W104 HydrophobicContact CD1-CZ3 4.01Å; I57-W104 HydrophobicContact CG1-CE3 4.02Å; I57-W104 HydrophobicContact CG1-CH2 4.18Å; I57-W104 HydrophobicContact CG1-CZ3 3.67Å
58S95.6Very high97.8Very high107 Ų10740.2 Ų40.275%0.74824%0.235SC*.THydrogen-bonded Turntrans-106-1.1-175.7-56.20000114.6N56N56-S58 PolarHBondContact O-N 3.42Å; N56-S58 VanDerWaalsContact O-N 3.1Å; N56-S58 PolarHBondContact OD1-N 3.44Å
59I97.4Very high97.8Very high94 Ų9442.7 Ų42.748%0.48225%0.247SC..BIsolated β-bridgetrans-117.3122.9-172.1-60.7176.1000109.9K54 P55 N56K54-I59 WeakPolarHBondContact CG-O 3.3Å; P55-I59 HydrophobicContact CG-CG2 4.4Å; N56-I59 HydrophobicContact CB-CB 4.25Å; N56-I59 HydrophobicContact CB-CD1 4.21Å; N56-I59 HydrophobicContact CB-CG1 4.29Å; N56-I59 PolarHBondContact O-N 2.84Å
60V98.4Very high97.8Very high60 Ų6045.1 Ų45.136%0.36426%0.263SS..  trans-93.7122.8163.2-177.70000107.9T62 L65 I162V60-T62 PolarHBondContact O-N 2.89Å; V60-T62 VanDerWaalsContact O-N 3.07Å; V60-L65 HydrophobicContact CG1-CD1 3.69Å; V60-I162 HydrophobicContact CB-CD1 4.46Å; V60-I162 HydrophobicContact CG1-CD1 4.1Å; V60-I162 HydrophobicContact CG1-CG1 4.47Å; V60-I162 HydrophobicContact CG1-CG2 3.92Å; V60-I162 HydrophobicContact CG2-CD1 3.55Å; V60-I162 HydrophobicContact CG2-CG1 4.3Å
61N98.5Very high97.7Very high46 Ų4645.2 Ų45.225%0.24626%0.264CS..  trans-82.484.3-179.4-174.2-5.2000110.4G52 V53 P55 T63 Y64 L65G52-N61 WeakPolarHBondContact O-CB 3.42Å; G52-N61 PolarHBondContact O-ND2 3Å; V53-N61 PolarHBondContact O-N 2.88Å; P55-N61 HydrophobicContact CG-CB 4.12Å; N61-T63 PolarHBondContact O-N 3.39Å; N61-T63 WeakPolarHBondContact OD1-CB 3.43Å; N61-T63 PolarHBondContact OD1-N 3.45Å; N61-Y64 WeakPolarHBondContact ND2-CB 3.43Å; N61-Y64 PolarHBondContact O-N 2.99Å; N61-Y64 PolarHBondContact OD1-N 2.69Å; N61-Y64 VanDerWaalsContact OD1-N 3.08Å; N61-L65 PolarHBondContact O-N 2.53Å; N61-L65 VanDerWaalsContact O-N 3.11Å
62T98.2Very high97.7Very high85 Ų8544.7 Ų44.752%0.52126%0.26SS..Hα-helixtrans-62.3-28.4179.254.40000112.7V60 L65 N66V60-T62 PolarHBondContact O-N 2.89Å; V60-T62 VanDerWaalsContact O-N 3.07Å; T62-L65 PolarHBondContact O-N 2.92Å; T62-N66 WeakPolarHBondContact O-CB 3.33Å; T62-N66 PolarHBondContact O-N 3.45Å; T62-N66 PolarHBondContact O-ND2 2.91Å; T62-N66 PolarHBondContact O-OD1 3.09Å
63T97.9Very high97.6Very high98 Ų9847.3 Ų47.360%0.60127%0.274SS*.Hα-helixtrans-63.2-48.7174.9-55.70000110.9N61 L65 N66 V67N61-T63 PolarHBondContact O-N 3.39Å; N61-T63 WeakPolarHBondContact OD1-CB 3.43Å; N61-T63 PolarHBondContact OD1-N 3.45Å; T63-L65 VanDerWaalsContact C-N 3.33Å; T63-L65 PolarHBondContact O-N 2.93Å; T63-N66 PolarHBondContact O-N 3.32Å; T63-V67 VanDerWaalsContact O-CG2 3.28Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 3.25Å
64Y98.2Very high97.5Very high8 Ų848.2 Ų48.23%0.03128%0.279CS..Hα-helixtrans-60.3-44175.4176.7-108.9000111.5W22 Y23 I48 M49 G52 V53 N61 N66 V67 M68W22-Y64 HydrophobicContact CB-CD2 4.46Å; W22-Y64 HydrophobicContact CB-CE2 3.65Å; W22-Y64 PolarHBondContact O-OH 2.76Å; Y23-Y64 HydrophobicContact CD1-CD2 4.24Å; Y23-Y64 HydrophobicContact CD1-CE2 4.18Å; I48-Y64 HydrophobicContact CD1-CD1 4.49Å; I48-Y64 HydrophobicContact CD1-CE1 3.53Å; I48-Y64 HydrophobicContact CG1-CE1 4.38Å; M49-Y64 PolarHBondContact N-OH 2.88Å; M49-Y64 VanDerWaalsContact N-OH 3.11Å; G52-Y64 WeakPolarHBondContact O-CD1 3.27Å; V53-Y64 HydrophobicContact CG2-CD1 4Å; V53-Y64 HydrophobicContact CG2-CE1 3.81Å; N61-Y64 WeakPolarHBondContact ND2-CB 3.43Å; N61-Y64 PolarHBondContact O-N 2.99Å; N61-Y64 PolarHBondContact OD1-N 2.69Å; N61-Y64 VanDerWaalsContact OD1-N 3.08Å; Y64-N66 PolarHBondContact O-N 3.34Å; Y64-V67 PolarHBondContact O-N 3.43Å; Y64-M68 HydrophobicContact CD1-CG 4.33Å; Y64-M68 HydrophobicContact CD2-CG 4.13Å; Y64-M68 HydrophobicContact CE1-CG 3.97Å; Y64-M68 HydrophobicContact CE2-CG 3.71Å; Y64-M68 HydrophobicContact CE2-SD 3.84Å; Y64-M68 HydrophobicContact CG-CG 4.43Å; Y64-M68 WeakPolarHBondContact O-CG 3.41Å; Y64-M68 PolarHBondContact O-N 2.85Å
65L98.6Very high97.4Very high7 Ų747.8 Ų47.84%0.03728%0.277CS..Hα-helixtrans-58.9-45177.5-69.2175.9000112.4V53 V60 N61 T62 T63 V67 M68 E69 I162 I163 Y167V53-L65 HydrophobicContact CG1-CD2 4.22Å; V53-L65 HydrophobicContact CG2-CD2 4.02Å; V60-L65 HydrophobicContact CG1-CD1 3.69Å; N61-L65 PolarHBondContact O-N 2.53Å; N61-L65 VanDerWaalsContact O-N 3.11Å; T62-L65 PolarHBondContact O-N 2.92Å; T63-L65 VanDerWaalsContact C-N 3.33Å; T63-L65 PolarHBondContact O-N 2.93Å; L65-V67 PolarHBondContact O-N 2.81Å; L65-M68 PolarHBondContact O-N 2.89Å; L65-E69 WeakPolarHBondContact O-CB 3.23Å; L65-E69 PolarHBondContact O-N 2.96Å; L65-I162 HydrophobicContact CD1-CG2 3.6Å; L65-I162 HydrophobicContact CD2-CG2 4.19Å; L65-I163 HydrophobicContact CD2-CD1 3.99Å; L65-Y167 VanDerWaalsContact CA-OH 3.27Å; L65-Y167 WeakPolarHBondContact CA-OH 3.43Å; L65-Y167 HydrophobicContact CD2-CE2 4.35Å; L65-Y167 PolarHBondContact O-OH 3.34Å
66N98Very high97.4Very high86 Ų8646.5 Ų46.546%0.4627%0.271SS..Hα-helixtrans-67.9-35.8178.5-65.9-8.7000112.4T62 T63 Y64 E69 S70T62-N66 WeakPolarHBondContact O-CB 3.33Å; T62-N66 PolarHBondContact O-N 3.45Å; T62-N66 PolarHBondContact O-ND2 2.91Å; T62-N66 PolarHBondContact O-OD1 3.09Å; T63-N66 PolarHBondContact O-N 3.32Å; Y64-N66 PolarHBondContact O-N 3.34Å; N66-E69 WeakPolarHBondContact O-CB 3.26Å; N66-E69 PolarHBondContact O-N 2.83Å; N66-S70 PolarHBondContact O-N 3.34Å
67V97.5Very high97.4Very high31 Ų3150.1 Ų50.119%0.18829%0.286CS..Hα-helixtrans-62.4-50.8175169.10000109.9Y23 W28 T63 Y64 L65 E69 S70 L71Y23-V67 HydrophobicContact CD1-CG1 3.81Å; Y23-V67 HydrophobicContact CD2-CG1 4.31Å; Y23-V67 HydrophobicContact CE1-CG1 3.69Å; Y23-V67 HydrophobicContact CE2-CG1 4.2Å; Y23-V67 HydrophobicContact CG-CG1 4.12Å; W28-V67 HydrophobicContact CH2-CG1 3.35Å; W28-V67 HydrophobicContact CZ2-CG1 3.44Å; W28-V67 VanDerWaalsContact CZ2-CG1 3.44Å; T63-V67 VanDerWaalsContact O-CG2 3.28Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 3.25Å; Y64-V67 PolarHBondContact O-N 3.43Å; L65-V67 PolarHBondContact O-N 2.81Å; V67-E69 VanDerWaalsContact C-N 3.28Å; V67-E69 PolarHBondContact O-N 3.29Å; V67-S70 PolarHBondContact O-N 3.45Å; V67-S70 PolarHBondContact O-OG 2.95Å; V67-L71 PolarHBondContact O-N 3.01Å
68M98.1Very high97.3Very high2 Ų248.1 Ų48.11%0.0128%0.275CS..Hα-helixtrans-63.1-35.2176.2-62.6-57.4-70.600111.7L46 G47 I48 Y64 L65 S70 L71 I72 Y167L46-M68 HydrophobicContact CD1-CE 3.97Å; L46-M68 HydrophobicContact CD2-CE 3.74Å; L46-M68 HydrophobicContact CG-CE 3.72Å; G47-M68 VanDerWaalsContact O-CE 3.28Å; G47-M68 WeakPolarHBondContact O-CE 3.14Å; I48-M68 HydrophobicContact CD1-CB 4.22Å; I48-M68 HydrophobicContact CD1-CE 4.14Å; I48-M68 HydrophobicContact CD1-CG 3.85Å; Y64-M68 HydrophobicContact CD1-CG 4.33Å; Y64-M68 HydrophobicContact CD2-CG 4.13Å; Y64-M68 HydrophobicContact CE1-CG 3.97Å; Y64-M68 HydrophobicContact CE2-CG 3.71Å; Y64-M68 HydrophobicContact CE2-SD 3.84Å; Y64-M68 HydrophobicContact CG-CG 4.43Å; Y64-M68 WeakPolarHBondContact O-CG 3.41Å; Y64-M68 PolarHBondContact O-N 2.85Å; L65-M68 PolarHBondContact O-N 2.89Å; M68-S70 PolarHBondContact O-N 3.06Å; M68-L71 PolarHBondContact O-N 2.79Å; M68-I72 WeakPolarHBondContact O-CD1 3.34Å; M68-I72 WeakPolarHBondContact O-CG1 3.24Å; M68-I72 PolarHBondContact O-N 2.82Å; M68-Y167 WeakPolarHBondContact CB-OH 3.5Å
69E98.1Very high97.3Very high53 Ų5345.3 Ų45.325%0.24826%0.263CS..Hα-helixtrans-57.7-49.1174.2-166174.6-156.300111.6L65 N66 V67 L71 I72 D73 H166 Y167 K170L65-E69 WeakPolarHBondContact O-CB 3.23Å; L65-E69 PolarHBondContact O-N 2.96Å; N66-E69 WeakPolarHBondContact O-CB 3.26Å; N66-E69 PolarHBondContact O-N 2.83Å; V67-E69 VanDerWaalsContact C-N 3.28Å; V67-E69 PolarHBondContact O-N 3.29Å; E69-L71 PolarHBondContact O-N 3.25Å; E69-I72 PolarHBondContact O-N 2.98Å; E69-D73 PolarHBondContact O-N 3.25Å; E69-H166 IonicContact OE2-CE1 2.87Å; E69-H166 IonicContact OE2-NE2 2.69Å; E69-Y167 HydrophobicContact CB-CE1 3.81Å; E69-Y167 HydrophobicContact CG-CE1 4.14Å; E69-K170 WeakPolarHBondContact OE1-CE 3.33Å; E69-K170 IonicContact OE1-NZ 3.67Å; E69-K170 PolarHBondContact OE1-NZ 3.25Å
70S97.1Very high97.2Very high50 Ų5041 Ų4135%0.3524%0.241SC..Hα-helixtrans-61.1-34.7179.173.90000112.8W28 N66 V67 M68 L74W28-S70 PolarHBondContact NE1-OG 2.89Å; N66-S70 PolarHBondContact O-N 3.34Å; V67-S70 PolarHBondContact O-N 3.45Å; V67-S70 PolarHBondContact O-OG 2.95Å; M68-S70 PolarHBondContact O-N 3.06Å; S70-L74 WeakPolarHBondContact O-CB 3.46Å; S70-L74 PolarHBondContact O-N 3.1Å
71L96.4Very high97.2Very high2 Ų241 Ų411%0.0124%0.235CC..Hα-helixtrans-71.5-42.3176.8-178.659.5000111.5A27 W28 L46 V67 M68 E69 D73 L74 Y75A27-L71 HydrophobicContact CB-CD1 3.84Å; A27-L71 HydrophobicContact CB-CD2 3.83Å; A27-L71 HydrophobicContact CB-CG 4.48Å; A27-L71 WeakPolarHBondContact O-CD1 3.36Å; W28-L71 HydrophobicContact CZ2-CB 4.24Å; L46-L71 HydrophobicContact CD1-CD2 3.85Å; L46-L71 HydrophobicContact CD2-CD2 4.23Å; V67-L71 PolarHBondContact O-N 3.01Å; M68-L71 PolarHBondContact O-N 2.79Å; E69-L71 PolarHBondContact O-N 3.25Å; L71-D73 VanDerWaalsContact C-N 3.32Å; L71-D73 PolarHBondContact O-N 3.21Å; L71-L74 PolarHBondContact O-N 3.45Å; L71-Y75 HydrophobicContact CD1-CD2 4.4Å; L71-Y75 HydrophobicContact CD1-CE1 4.1Å; L71-Y75 HydrophobicContact CD1-CE2 3.77Å; L71-Y75 HydrophobicContact CD2-CE2 4.08Å; L71-Y75 HydrophobicContact CG-CD2 4.16Å; L71-Y75 HydrophobicContact CG-CE2 3.57Å; L71-Y75 WeakPolarHBondContact O-CD2 3.49Å; L71-Y75 PolarHBondContact O-N 2.63Å
72I97.9Very high97.2Very high0 Ų038.8 Ų38.80%022%0.223CC..Hα-helixtrans-61-42.9175.2-67.4164.4000110.4L46 M68 E69 Y75 A76 V82 L84 Y167 K170 N172 V173L46-I72 HydrophobicContact CD2-CG1 3.98Å; M68-I72 WeakPolarHBondContact O-CD1 3.34Å; M68-I72 WeakPolarHBondContact O-CG1 3.24Å; M68-I72 PolarHBondContact O-N 2.82Å; E69-I72 PolarHBondContact O-N 2.98Å; I72-Y75 PolarHBondContact O-N 3.05Å; I72-A76 PolarHBondContact O-N 3.24Å; I72-V82 HydrophobicContact CG1-CG2 4.25Å; I72-V82 HydrophobicContact CG2-CG2 4.05Å; I72-L84 HydrophobicContact CD1-CD1 4.43Å; I72-L84 HydrophobicContact CD1-CD2 3.95Å; I72-L84 HydrophobicContact CG1-CD2 4.41Å; I72-Y167 HydrophobicContact CD1-CD1 3.86Å; I72-Y167 HydrophobicContact CD1-CD2 4.11Å; I72-Y167 HydrophobicContact CD1-CE1 3.86Å; I72-Y167 HydrophobicContact CD1-CE2 4.11Å; I72-Y167 HydrophobicContact CD1-CG 4Å; I72-K170 HydrophobicContact CG2-CB 4.43Å; I72-K170 HydrophobicContact CG2-CG 4.4Å; I72-N172 WeakPolarHBondContact CG2-OD1 3.42Å; I72-N172 PolarHBondContact O-ND2 3.39Å; I72-V173 HydrophobicContact CG2-CG2 3.92Å
73D97.5Very high97.2Very high56 Ų5634.8 Ų34.830%0.29920%0.199SC..Hα-helixtrans-64.5-42.5177.2-72.2-22.9000111.5E69 L71 Y75 A76 E77 K170E69-D73 PolarHBondContact O-N 3.25Å; L71-D73 VanDerWaalsContact C-N 3.32Å; L71-D73 PolarHBondContact O-N 3.21Å; D73-Y75 VanDerWaalsContact C-N 3.31Å; D73-Y75 PolarHBondContact O-N 2.78Å; D73-A76 WeakPolarHBondContact O-CA 3.49Å; D73-A76 VanDerWaalsContact O-CB 3.26Å; D73-A76 WeakPolarHBondContact O-CB 3.26Å; D73-A76 PolarHBondContact O-N 3.02Å; D73-E77 WeakPolarHBondContact O-CG 3.42Å; D73-E77 PolarHBondContact O-N 3.2Å; D73-K170 VanDerWaalsContact OD1-CD 3.3Å; D73-K170 WeakPolarHBondContact OD1-CD 3.37Å; D73-K170 WeakPolarHBondContact OD1-CE 3.12Å; D73-K170 IonicContact OD1-NZ 3.05Å; D73-K170 PolarHBondContact OD1-NZ 3.02Å; D73-K170 IonicContact OD2-NZ 2.63Å; D73-K170 PolarHBondContact OD2-NZ 3.32Å
74L96.1Very high97.2Very high18 Ų1830.1 Ų30.19%0.09417%0.17CC..Hα-helixtrans-61.2-39.6176-177.360.5000112.2W28 I30 I33 S70 L71 E77 H78W28-L74 HydrophobicContact CB-CD2 4.12Å; W28-L74 HydrophobicContact CG-CD2 4.35Å; I30-L74 HydrophobicContact CG1-CD1 4.35Å; I33-L74 HydrophobicContact CD1-CD2 3.33Å; I33-L74 HydrophobicContact CD1-CG 3.59Å; S70-L74 WeakPolarHBondContact O-CB 3.46Å; S70-L74 PolarHBondContact O-N 3.1Å; L71-L74 PolarHBondContact O-N 3.45Å; L74-E77 PolarHBondContact O-N 3.31Å; L74-H78 PolarHBondContact O-N 3.48Å; L74-H78 PolarHBondContact O-ND1 2.95Å
75Y96.4Very high97.3Very high3 Ų329.7 Ų29.71%0.01217%0.168CC..Hα-helixtrans-65.5-38.3172.2-67.1-35.7000112.2N15 I33 I44 L46 L71 I72 D73 E77 H78 G79 I80 V82N15-Y75 PolarHBondContact ND2-OH 2.87Å; I33-Y75 HydrophobicContact CD1-CD1 4.11Å; I33-Y75 HydrophobicContact CD1-CE1 3.82Å; I33-Y75 HydrophobicContact CG1-CD1 4.45Å; I33-Y75 HydrophobicContact CG1-CE1 4.02Å; I33-Y75 HydrophobicContact CG2-CD1 4.34Å; I44-Y75 HydrophobicContact CD1-CD1 3.78Å; I44-Y75 HydrophobicContact CD1-CD2 4.26Å; I44-Y75 HydrophobicContact CD1-CE1 3.37Å; I44-Y75 HydrophobicContact CD1-CE2 3.85Å; I44-Y75 HydrophobicContact CD1-CG 4.23Å; I44-Y75 HydrophobicContact CG2-CE2 4.4Å; L46-Y75 HydrophobicContact CD1-CE2 4.39Å; L46-Y75 HydrophobicContact CD2-CE2 4.29Å; L71-Y75 HydrophobicContact CD1-CD2 4.4Å; L71-Y75 HydrophobicContact CD1-CE1 4.1Å; L71-Y75 HydrophobicContact CD1-CE2 3.77Å; L71-Y75 HydrophobicContact CD2-CE2 4.08Å; L71-Y75 HydrophobicContact CG-CD2 4.16Å; L71-Y75 HydrophobicContact CG-CE2 3.57Å; L71-Y75 WeakPolarHBondContact O-CD2 3.49Å; L71-Y75 PolarHBondContact O-N 2.63Å; I72-Y75 PolarHBondContact O-N 3.05Å; D73-Y75 VanDerWaalsContact C-N 3.31Å; D73-Y75 PolarHBondContact O-N 2.78Å; Y75-E77 VanDerWaalsContact C-N 3.33Å; Y75-E77 PolarHBondContact O-N 3.44Å; Y75-H78 CarbonylContact O-C 3.6Å; Y75-H78 PolarHBondContact O-N 3.2Å; Y75-H78 VanDerWaalsContact O-N 3.15Å; Y75-G79 PolarHBondContact O-N 3.1Å; Y75-I80 CarbonylContact C-O 3.46Å; Y75-I80 HydrophobicContact CD1-CD1 4.47Å; Y75-I80 HydrophobicContact CG-CG2 4.39Å; Y75-I80 WeakPolarHBondContact O-CB 3.25Å; Y75-I80 PolarHBondContact O-N 2.99Å; Y75-V82 HydrophobicContact CD2-CG1 3.56Å; Y75-V82 HydrophobicContact CE2-CG1 4.37Å; Y75-V82 HydrophobicContact CG-CG1 4.29Å
76A96.4Very high97.3Very high34 Ų3429.4 Ų29.428%0.28117%0.167SC..Hα-helixtrans-59.6-43.8175.900000111.8I72 D73 H78 G79 N172I72-A76 PolarHBondContact O-N 3.24Å; D73-A76 WeakPolarHBondContact O-CA 3.49Å; D73-A76 VanDerWaalsContact O-CB 3.26Å; D73-A76 WeakPolarHBondContact O-CB 3.26Å; D73-A76 PolarHBondContact O-N 3.02Å; A76-H78 PolarHBondContact O-N 2.93Å; A76-G79 PolarHBondContact O-N 3.03Å; A76-N172 HydrophobicContact CB-CB 3.88Å; A76-N172 VanDerWaalsContact CB-CG 3.42Å; A76-N172 PolarHBondContact N-ND2 3.35Å
77E96Very high97.3Very high149 Ų14925.3 Ų25.370%0.69615%0.145SC*.Hα-helixtrans-59.8-27.4178.1-70.8175.7-174.300112.9D73 L74 Y75D73-E77 WeakPolarHBondContact O-CG 3.42Å; D73-E77 PolarHBondContact O-N 3.2Å; L74-E77 PolarHBondContact O-N 3.31Å; Y75-E77 VanDerWaalsContact C-N 3.33Å; Y75-E77 PolarHBondContact O-N 3.44Å
78H95.1Very high97.3Very high21 Ų2123.8 Ų23.810%0.09714%0.136CC..THydrogen-bonded Turntrans-99.210.9178.4-64.279.8000113I33 Q37 L74 Y75 A76 I80I33-H78 HydrophobicContact CG2-CB 3.72Å; I33-H78 VanDerWaalsContact CG2-CG 3.49Å; Q37-H78 PolarHBondContact NE2-O 3.27Å; L74-H78 PolarHBondContact O-N 3.48Å; L74-H78 PolarHBondContact O-ND1 2.95Å; Y75-H78 CarbonylContact O-C 3.6Å; Y75-H78 PolarHBondContact O-N 3.2Å; Y75-H78 VanDerWaalsContact O-N 3.15Å; A76-H78 PolarHBondContact O-N 2.93Å; H78-I80 VanDerWaalsContact C-N 3.26Å; H78-I80 HydrophobicContact CB-CD1 4.26Å; H78-I80 HydrophobicContact CB-CG1 4.45Å; H78-I80 PolarHBondContact O-N 3Å
79G94.6Very high97.2Very high49 Ų4924.5 Ų24.551%0.50514%0.139SC..THydrogen-bonded Turntrans70.620.3178.400000114.2Y75 A76Y75-G79 PolarHBondContact O-N 3.1Å; A76-G79 PolarHBondContact O-N 3.03Å
80I96.2Very high97Very high2 Ų222 Ų221%0.0113%0.128CC..  trans-97.9124.1-179.1-62.5171000109.4I33 I44 Y75 H78 N172I33-I80 HydrophobicContact CG2-CD1 3.92Å; I44-I80 HydrophobicContact CB-CG2 4.36Å; I44-I80 HydrophobicContact CD1-CG2 3.84Å; I44-I80 HydrophobicContact CG1-CG2 3.77Å; Y75-I80 CarbonylContact C-O 3.46Å; Y75-I80 HydrophobicContact CD1-CD1 4.47Å; Y75-I80 HydrophobicContact CG-CG2 4.39Å; Y75-I80 WeakPolarHBondContact O-CB 3.25Å; Y75-I80 PolarHBondContact O-N 2.99Å; H78-I80 VanDerWaalsContact C-N 3.26Å; H78-I80 HydrophobicContact CB-CD1 4.26Å; H78-I80 HydrophobicContact CB-CG1 4.45Å; H78-I80 PolarHBondContact O-N 3Å; I80-N172 PolarHBondContact O-ND2 3.13Å
81Y97.7Very high97Very high61 Ų6119.6 Ų19.624%0.23911%0.111CC..EExtended strand (participates in β ladder)trans-77.6155.9172.4-72.1-98.4000111.1K8 F10 N42 V43 I44 N172 L174K8-Y81 PolarHBondContact NZ-OH 3.12Å; F10-Y81 HydrophobicContact CD1-CD2 4.48Å; F10-Y81 HydrophobicContact CE1-CD1 4.4Å; F10-Y81 AromaticContact CE1-CD2 3.82Å; F10-Y81 HydrophobicContact CE1-CD2 3.82Å; F10-Y81 HydrophobicContact CE1-CE2 4.29Å; F10-Y81 AromaticContact CE1-CG 3.9Å; F10-Y81 HydrophobicContact CE1-CG 3.9Å; N42-Y81 WeakPolarHBondContact O-CD2 3.05Å; N42-Y81 PolarHBondContact O-N 2.81Å; V43-Y81 CarbonylContact C-O 3.49Å; V43-Y81 VanDerWaalsContact CA-O 3.24Å; V43-Y81 WeakPolarHBondContact CA-O 3.5Å; I44-Y81 PolarHBondContact N-O 3.15Å; Y81-N172 CarbonylContact C-O 3.57Å; Y81-N172 VanDerWaalsContact CA-O 3.23Å; Y81-N172 WeakPolarHBondContact CA-O 3.34Å; Y81-L174 HydrophobicContact CD1-CB 4.24Å; Y81-L174 HydrophobicContact CD1-CD1 4.35Å
82V98.4Very high97Very high0 Ų019.5 Ų19.50%011%0.111CC..EExtended strand (participates in β ladder)trans-121.3135.1173.2-61.20000111.5I44 L46 I72 Y75 L84 N172 V173 L174I44-V82 CarbonylContact O-C 3.58Å; I44-V82 VanDerWaalsContact O-CA 3.29Å; I44-V82 WeakPolarHBondContact O-CA 3.42Å; L46-V82 HydrophobicContact CD2-CG1 4.44Å; I72-V82 HydrophobicContact CG1-CG2 4.25Å; I72-V82 HydrophobicContact CG2-CG2 4.05Å; Y75-V82 HydrophobicContact CD2-CG1 3.56Å; Y75-V82 HydrophobicContact CE2-CG1 4.37Å; Y75-V82 HydrophobicContact CG-CG1 4.29Å; V82-L84 HydrophobicContact CB-CD2 4.4Å; V82-L84 HydrophobicContact CG2-CD2 4.06Å; V82-N172 PolarHBondContact N-O 3.42Å; V82-V173 HydrophobicContact CG2-CB 4.24Å; V82-V173 HydrophobicContact CG2-CG2 3.66Å; V82-L174 WeakPolarHBondContact O-CB 3.38Å; V82-L174 PolarHBondContact O-N 2.79Å
83I98.8Very high96.8Very high0 Ų021.9 Ų21.90%013%0.127CC..EExtended strand (participates in β ladder)trans-99.4118.5161.3-58.2165.5000105.5V43 I44 R45 L46 D85 L174 D177 F225 F315V43-I83 HydrophobicContact CG2-CD1 4.04Å; V43-I83 HydrophobicContact CG2-CG1 4.05Å; I44-I83 PolarHBondContact O-N 3.13Å; R45-I83 CarbonylContact C-O 3.5Å; R45-I83 HydrophobicContact CB-CB 4.47Å; R45-I83 HydrophobicContact CG-CB 4.45Å; L46-I83 PolarHBondContact N-O 2.7Å; I83-D85 PolarHBondContact O-N 2.78Å; I83-L174 HydrophobicContact CD1-CD2 4.35Å; I83-L174 HydrophobicContact CG1-CB 4.35Å; I83-L174 HydrophobicContact CG1-CD2 4.01Å; I83-D177 HydrophobicContact CG2-CB 4.1Å; I83-F225 HydrophobicContact CD1-CD1 4.39Å; I83-F225 HydrophobicContact CD1-CE1 3.65Å; I83-F225 HydrophobicContact CD1-CE2 4.34Å; I83-F225 HydrophobicContact CD1-CZ 3.63Å; I83-F225 HydrophobicContact CG1-CE1 4.25Å; I83-F225 HydrophobicContact CG1-CE2 4.04Å; I83-F225 HydrophobicContact CG1-CZ 3.79Å; I83-F225 HydrophobicContact CG2-CD1 4.37Å; I83-F225 HydrophobicContact CG2-CD2 3.98Å; I83-F225 HydrophobicContact CG2-CE2 4.14Å; I83-F225 HydrophobicContact CG2-CG 4.11Å; I83-F225 HydrophobicContact CG2-CZ 4.41Å; I83-F315 HydrophobicContact CD1-CD2 4.43Å; I83-F315 HydrophobicContact CD1-CE1 4.12Å; I83-F315 HydrophobicContact CD1-CE2 3.96Å; I83-F315 HydrophobicContact CD1-CZ 3.8Å
84L98.9Very high96.8Very high0 Ų022.6 Ų22.60%013%0.126CC..EExtended strand (participates in β ladder)trans-85.3112.4178.4-61.7-173.6000109.3L46 I48 I72 V82 I163 Y167 V173 G175 Y176 D177L46-L84 HydrophobicContact CB-CD2 4.38Å; L46-L84 HydrophobicContact CD2-CD2 4.16Å; I48-L84 HydrophobicContact CG2-CB 3.93Å; I72-L84 HydrophobicContact CD1-CD1 4.43Å; I72-L84 HydrophobicContact CD1-CD2 3.95Å; I72-L84 HydrophobicContact CG1-CD2 4.41Å; V82-L84 HydrophobicContact CB-CD2 4.4Å; V82-L84 HydrophobicContact CG2-CD2 4.06Å; L84-I163 HydrophobicContact CD1-CG2 3.91Å; L84-Y167 HydrophobicContact CD1-CD2 3.45Å; L84-Y167 VanDerWaalsContact CD1-CD2 3.45Å; L84-Y167 HydrophobicContact CD1-CE2 4.19Å; L84-Y167 HydrophobicContact CD1-CG 4.14Å; L84-V173 HydrophobicContact CD1-CG1 4.3Å; L84-V173 HydrophobicContact CG-CG1 4.4Å; L84-G175 PolarHBondContact N-O 3.06Å; L84-Y176 HydrophobicContact CB-CD1 4.24Å; L84-Y176 HydrophobicContact CD1-CD1 4.35Å; L84-Y176 HydrophobicContact CD1-CE1 4.12Å; L84-D177 PolarHBondContact O-N 3.13Å
85D98.8Very high96.7Very high0 Ų022 Ų220%012%0.122CC..EExtended strand (participates in β ladder)trans-106.2117.9-172.4163.734.1000112.3R45 L46 I48 I83 H87 D177R45-D85 HydrophobicContact CG-CB 3.78Å; R45-D85 IonicContact CZ-OD1 3.63Å; R45-D85 IonicContact CZ-OD2 3.51Å; R45-D85 IonicContact NE-OD2 2.78Å; R45-D85 IonicContact NH1-OD2 2.59Å; R45-D85 PolarHBondContact NH1-OD2 3.32Å; R45-D85 IonicContact NH2-OD1 3.02Å; R45-D85 PolarHBondContact NH2-OD1 3.24Å; R45-D85 IonicContact NH2-OD2 3.36Å; R45-D85 PolarHBondContact NH2-OD2 2.72Å; L46-D85 PolarHBondContact O-N 3.36Å; I48-D85 WeakPolarHBondContact CG2-O 3.09Å; I48-D85 PolarHBondContact N-O 3.21Å; I83-D85 PolarHBondContact O-N 2.78Å; D85-H87 PolarHBondContact O-N 3.48Å; D85-H87 PolarHBondContact OD1-N 2.88Å; D85-H87 IonicContact OD2-CE1 2.79Å; D85-H87 IonicContact OD2-CG 2.81Å; D85-H87 IonicContact OD2-ND1 2.68Å; D85-H87 PolarHBondContact OD2-ND1 3.06Å; D85-D177 HydrophobicContact CB-CB 4.07Å
86M98.8Very high96.3Very high0 Ų023.6 Ų23.60%014%0.139CC..  trans-74.781.9170.4-163.8-74.9-7000109.2W50 I101 W156 F159 W160 D177 I179 N180W50-M86 HydrophobicContact CB-CG 4.35Å; W50-M86 HydrophobicContact CB-SD 4.2Å; W50-M86 HydrophobicContact CE3-CE 4.41Å; W50-M86 HydrophobicContact CE3-SD 4.22Å; M86-I101 HydrophobicContact CE-CD1 4.11Å; M86-I101 HydrophobicContact SD-CD1 4.36Å; M86-W156 HydrophobicContact CE-CZ2 3.94Å; M86-F159 HydrophobicContact CB-CE1 3.72Å; M86-F159 HydrophobicContact CB-CZ 3.97Å; M86-F159 HydrophobicContact CG-CD1 4.07Å; M86-F159 HydrophobicContact CG-CE1 3.31Å; M86-F159 HydrophobicContact CG-CE2 4.41Å; M86-F159 HydrophobicContact CG-CZ 3.51Å; M86-W160 HydrophobicContact CB-CH2 4.14Å; M86-W160 HydrophobicContact CB-CZ2 3.55Å; M86-W160 HydrophobicContact CG-CZ2 4.47Å; M86-D177 PolarHBondContact N-O 3.32Å; M86-D177 VanDerWaalsContact N-O 3.16Å; M86-I179 HydrophobicContact CE-CB 3.59Å; M86-I179 HydrophobicContact CE-CD1 3.78Å; M86-I179 HydrophobicContact CE-CG1 3.56Å; M86-N180 PolarHBondContact O-N 3.35Å; M86-N180 VanDerWaalsContact O-N 3.1Å
87H98.3Very high96.2Very high0 Ų023.2 Ų23.20%013%0.133CC..  trans-77.2140.2-173.2-146.786.6000111.8V16 K18 M49 D85 D89 Y98 N180 W353V16-H87 HydrophobicContact CG1-CB 4.03Å; K18-H87 WeakPolarHBondContact CE-NE2 3.22Å; K18-H87 PolarHBondContact NZ-NE2 3.41Å; K18-H87 VanDerWaalsContact NZ-NE2 3.14Å; M49-H87 HydrophobicContact CE-CB 3.31Å; M49-H87 HydrophobicContact SD-CB 4.08Å; D85-H87 PolarHBondContact O-N 3.48Å; D85-H87 PolarHBondContact OD1-N 2.88Å; D85-H87 IonicContact OD2-CE1 2.79Å; D85-H87 IonicContact OD2-CG 2.81Å; D85-H87 IonicContact OD2-ND1 2.68Å; D85-H87 PolarHBondContact OD2-ND1 3.06Å; H87-D89 IonicContact CD2-OD2 3.47Å; H87-D89 IonicContact NE2-OD2 3.27Å; H87-Y98 PolarHBondContact CD2-OH 3.45Å; H87-Y98 VanDerWaalsContact CD2-OH 3.27Å; H87-N180 HydrophobicContact CB-CB 4.38Å; H87-N180 PolarHBondContact CE1-ND2 2.88Å; H87-N180 PolarHBondContact CE1-OD1 2.94Å; H87-N180 VanDerWaalsContact ND1-CG 3.31Å; H87-N180 PolarHBondContact ND1-OD1 3.46Å; H87-W353 AromaticContact CE1-CH2 3.65Å; H87-W353 AromaticContact CE1-CZ3 3.5Å; H87-W353 VanDerWaalsContact CE1-CZ3 3.5Å; H87-W353 WeakPolarHBondContact CE1-CZ3 3.48Å; H87-W353 AromaticContact NE2-CH2 3.51Å; H87-W353 AromaticContact NE2-CZ3 3.86Å
88Q97.2Very high96.2Very high0 Ų017.3 Ų17.30%011%0.105CC..  trans-155.7149.1172.16781.731.700109.2Y98 Y133 I179 N180 E181Q88-Y98 WeakPolarHBondContact CA-OH 3.34Å; Q88-Y98 PolarHBondContact N-OH 3.37Å; Q88-Y133 PolarHBondContact NE2-OH 3.43Å; Q88-Y133 PolarHBondContact OE1-OH 3.14Å; Q88-I179 HydrophobicContact CG-CD1 4.12Å; Q88-I179 HydrophobicContact CG-CG1 3.96Å; Q88-N180 PolarHBondContact NE2-O 2.86Å; Q88-N180 PolarHBondContact O-ND2 2.81Å; Q88-E181 PolarHBondContact NE2-O 2.92Å
89D95.7Very high96.2Very high16 Ų1618 Ų189%0.08611%0.109CC..SBendtrans-134.7126.9164.6-50.3-94.4000108.4K18 H87 L91 T97 Y98 D129 Y133K18-D89 WeakPolarHBondContact CD-OD2 3.28Å; K18-D89 VanDerWaalsContact CE-OD2 3.31Å; K18-D89 WeakPolarHBondContact CE-OD2 3.21Å; K18-D89 IonicContact NZ-OD1 2.84Å; K18-D89 PolarHBondContact NZ-OD1 3.24Å; K18-D89 IonicContact NZ-OD2 2.82Å; K18-D89 PolarHBondContact NZ-OD2 3.42Å; H87-D89 IonicContact CD2-OD2 3.47Å; H87-D89 IonicContact NE2-OD2 3.27Å; D89-L91 PolarHBondContact O-N 3.03Å; D89-T97 WeakPolarHBondContact O-CB 3.31Å; D89-T97 WeakPolarHBondContact O-CG2 3.46Å; D89-T97 PolarHBondContact O-OG1 2.81Å; D89-Y98 HydrophobicContact CB-CE1 3.88Å; D89-Y98 PolarHBondContact N-OH 3.49Å; D89-Y98 WeakPolarHBondContact OD2-CE1 3.33Å; D89-Y98 VanDerWaalsContact OD2-CZ 3.32Å; D89-Y98 PolarHBondContact OD2-OH 3.46Å; D89-D129 HydrophobicContact CB-CB 3.65Å; D89-Y133 WeakPolarHBondContact CA-OH 3.5Å
90G94.6Very high96.3Very high0 Ų015.7 Ų15.70%09%0.085CC..SBendtrans64.422-179.900000114S92 Y95 Y133G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 3.09Å; G90-Y95 WeakPolarHBondContact O-CD2 3.47Å; G90-Y133 PolarHBondContact N-OH 3.16Å; G90-Y133 VanDerWaalsContact N-OH 3.17Å
91L96.3Very high96.4Very high1 Ų115.6 Ų15.61%0.0059%0.085CC..SBendtrans64-58.9179.8-51.2168.1000116.3D89 Y95 G100 I101 C138 A142 L145 P183D89-L91 PolarHBondContact O-N 3.03Å; L91-Y95 HydrophobicContact CB-CD2 3.87Å; L91-Y95 HydrophobicContact CB-CE2 3.89Å; L91-Y95 HydrophobicContact CD1-CD2 4.09Å; L91-Y95 HydrophobicContact CD1-CE2 3.67Å; L91-Y95 HydrophobicContact CG-CE2 4.42Å; L91-G100 PolarHBondContact O-N 3.24Å; L91-I101 HydrophobicContact CB-CG1 4.1Å; L91-I101 HydrophobicContact CD2-CG1 3.88Å; L91-I101 WeakPolarHBondContact O-CA 3.41Å; L91-I101 VanDerWaalsContact O-CB 3.32Å; L91-I101 WeakPolarHBondContact O-CB 3.45Å; L91-I101 PolarHBondContact O-N 3.01Å; L91-C138 WeakPolarHBondContact CD1-O 3.45Å; L91-A142 HydrophobicContact CD1-CB 4.01Å; L91-L145 HydrophobicContact CD2-CD2 4.44Å; L91-P183 HydrophobicContact CD2-CG 3.93Å
92S96.5Very high96.5Very high0 Ų012.7 Ų12.70%07%0.074CC..  trans-158.9159.4-168.8170.10000112.7G90 R94 Y95 T97 Y98 D99 I101G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 3.09Å; S92-R94 PolarHBondContact O-N 3.41Å; S92-R94 PolarHBondContact OG-N 2.88Å; S92-Y95 PolarHBondContact O-N 3.28Å; S92-T97 PolarHBondContact O-OG1 2.79Å; S92-Y98 CarbonylContact C-O 3.46Å; S92-Y98 VanDerWaalsContact C-O 3.27Å; S92-Y98 WeakPolarHBondContact CA-O 3.3Å; S92-D99 PolarHBondContact OG-OD1 2.93Å; S92-I101 WeakPolarHBondContact CB-O 3.46Å
93S95.7Very high96.4Very high49 Ų4915.3 Ų15.334%0.3439%0.087SC..G310 helixtrans-53.3-23.8168.167.20000113.9Y95 G96 T97 Y98 D99S93-Y95 PolarHBondContact O-N 2.87Å; S93-G96 PolarHBondContact O-N 2.88Å; S93-G96 VanDerWaalsContact O-N 3.15Å; S93-T97 VanDerWaalsContact CA-O 3.29Å; S93-T97 WeakPolarHBondContact CA-O 3.47Å; S93-Y98 PolarHBondContact N-O 2.68Å; S93-D99 VanDerWaalsContact CB-OD1 3.23Å; S93-D99 WeakPolarHBondContact CB-OD1 3.41Å; S93-D99 PolarHBondContact N-OD1 3.49Å; S93-D99 VanDerWaalsContact OG-CG 3.3Å; S93-D99 PolarHBondContact OG-OD1 3.22Å; S93-D99 PolarHBondContact OG-OD2 3.42Å
94R95.5Very high96.4Very high71 Ų7116.8 Ų16.827%0.2689%0.093SC..G310 helixtrans-52.5-36.9169.2171.156.656.374.6-5.8112.3S92 L103 I106 N107S92-R94 PolarHBondContact O-N 3.41Å; S92-R94 PolarHBondContact OG-N 2.88Å; R94-L103 HydrophobicContact CB-CD1 3.87Å; R94-I106 HydrophobicContact CB-CG2 3.65Å; R94-I106 HydrophobicContact CG-CG2 3.69Å; R94-N107 VanDerWaalsContact CZ-OD1 3.29Å; R94-N107 PolarHBondContact NH2-OD1 2.97Å
95Y94.2Very high96.4Very high7 Ų716.8 Ų16.83%0.0279%0.093CC..G310 helixtrans-98.70.1-176.2-50.4-54.4000113.1G90 L91 S92 S93 I106 E118 Y132 E137 C138 G141G90-Y95 WeakPolarHBondContact O-CD2 3.47Å; L91-Y95 HydrophobicContact CB-CD2 3.87Å; L91-Y95 HydrophobicContact CB-CE2 3.89Å; L91-Y95 HydrophobicContact CD1-CD2 4.09Å; L91-Y95 HydrophobicContact CD1-CE2 3.67Å; L91-Y95 HydrophobicContact CG-CE2 4.42Å; S92-Y95 PolarHBondContact O-N 3.28Å; S93-Y95 PolarHBondContact O-N 2.87Å; Y95-I106 HydrophobicContact CE2-CD1 4.3Å; Y95-I106 HydrophobicContact CE2-CG2 4.14Å; Y95-E118 HydrophobicContact CD1-CG 4.31Å; Y95-Y132 WeakPolarHBondContact O-CD1 3.4Å; Y95-Y132 WeakPolarHBondContact O-CE1 3.31Å; Y95-E137 HydrophobicContact CD1-CB 3.97Å; Y95-E137 HydrophobicContact CD1-CG 4.12Å; Y95-E137 HydrophobicContact CE1-CB 3.98Å; Y95-E137 HydrophobicContact CE1-CG 3.74Å; Y95-E137 WeakPolarHBondContact CE1-O 3.15Å; Y95-C138 HydrophobicContact CD1-CB 4.3Å; Y95-C138 HydrophobicContact CD2-CB 4.17Å; Y95-C138 HydrophobicContact CG-CB 3.93Å; Y95-G141 VanDerWaalsContact OH-CA 3.26Å; Y95-G141 WeakPolarHBondContact OH-CA 3.24Å
96G89.8Confident96.3Very high35 Ų3516.9 Ų16.936%0.3619%0.093SC..THydrogen-bonded Turntrans107.510.6175.800000115.5S93 Y132S93-G96 PolarHBondContact O-N 2.88Å; S93-G96 VanDerWaalsContact O-N 3.15Å; G96-Y132 PolarHBondContact O-OH 2.91Å
97T93.4Very high96.3Very high26 Ų2620.8 Ų20.816%0.1611%0.114CC..SBendtrans-112.4-140.1174.964.40000111.2D89 S92 S93 D129 Y132D89-T97 WeakPolarHBondContact O-CB 3.31Å; D89-T97 WeakPolarHBondContact O-CG2 3.46Å; D89-T97 PolarHBondContact O-OG1 2.81Å; S92-T97 PolarHBondContact O-OG1 2.79Å; S93-T97 VanDerWaalsContact CA-O 3.29Å; S93-T97 WeakPolarHBondContact CA-O 3.47Å; T97-D129 HydrophobicContact CG2-CB 4Å; T97-D129 WeakPolarHBondContact CG2-OD1 3.46Å; T97-Y132 HydrophobicContact CG2-CD2 3.38Å; T97-Y132 HydrophobicContact CG2-CE2 3.6Å; T97-Y132 HydrophobicContact CG2-CG 4.21Å
98Y94.8Very high96.3Very high26 Ų2624.4 Ų24.410%0.10213%0.131CC..  trans-110.5166.8172.564.6-81.4000110.1K18 W22 M49 H87 Q88 D89 S92 S93 G100K18-Y98 HydrophobicContact CB-CD1 3.9Å; K18-Y98 HydrophobicContact CB-CD2 4.21Å; K18-Y98 HydrophobicContact CB-CE1 3.81Å; K18-Y98 HydrophobicContact CB-CE2 4.1Å; K18-Y98 HydrophobicContact CB-CG 4.1Å; K18-Y98 HydrophobicContact CD-CD1 4.45Å; K18-Y98 HydrophobicContact CD-CE1 3.66Å; K18-Y98 HydrophobicContact CG-CE1 3.96Å; K18-Y98 HydrophobicContact CG-CE2 4.34Å; K18-Y98 WeakPolarHBondContact O-CB 3.33Å; K18-Y98 WeakPolarHBondContact O-CD2 3.2Å; W22-Y98 HydrophobicContact CH2-CD2 4.44Å; W22-Y98 AromaticContact CZ3-CD2 3.88Å; W22-Y98 HydrophobicContact CZ3-CD2 3.88Å; M49-Y98 HydrophobicContact SD-CE2 4.3Å; H87-Y98 PolarHBondContact CD2-OH 3.45Å; H87-Y98 VanDerWaalsContact CD2-OH 3.27Å; Q88-Y98 WeakPolarHBondContact CA-OH 3.34Å; Q88-Y98 PolarHBondContact N-OH 3.37Å; D89-Y98 HydrophobicContact CB-CE1 3.88Å; D89-Y98 PolarHBondContact N-OH 3.49Å; D89-Y98 WeakPolarHBondContact OD2-CE1 3.33Å; D89-Y98 VanDerWaalsContact OD2-CZ 3.32Å; D89-Y98 PolarHBondContact OD2-OH 3.46Å; S92-Y98 CarbonylContact C-O 3.46Å; S92-Y98 VanDerWaalsContact C-O 3.27Å; S92-Y98 WeakPolarHBondContact CA-O 3.3Å; S93-Y98 PolarHBondContact N-O 2.68Å; Y98-G100 VanDerWaalsContact C-N 3.27Å; Y98-G100 PolarHBondContact O-N 3.04Å
99D96.9Very high96.3Very high35 Ų3524.9 Ų24.919%0.18713%0.133CC..  trans-78.669.3-179.1-65.8-34.2000112.7S51 S92 S93S51-D99 WeakPolarHBondContact CB-O 3.42Å; S51-D99 WeakPolarHBondContact OG-CB 3.32Å; S51-D99 PolarHBondContact OG-O 3.1Å; S92-D99 PolarHBondContact OG-OD1 2.93Å; S93-D99 VanDerWaalsContact CB-OD1 3.23Å; S93-D99 WeakPolarHBondContact CB-OD1 3.41Å; S93-D99 PolarHBondContact N-OD1 3.49Å; S93-D99 VanDerWaalsContact OG-CG 3.3Å; S93-D99 PolarHBondContact OG-OD1 3.22Å; S93-D99 PolarHBondContact OG-OD2 3.42Å
100G97Very high96.4Very high0 Ų032.1 Ų32.10%016%0.164CC..SBendtrans-62.7-54.8168.100000110.6W50 L91 Y98W50-G100 WeakPolarHBondContact CB-O 3.25Å; L91-G100 PolarHBondContact O-N 3.24Å; Y98-G100 VanDerWaalsContact C-N 3.27Å; Y98-G100 PolarHBondContact O-N 3.04Å
101I98.1Very high96.5Very high0 Ų037.5 Ų37.50%018%0.184CC..SBendtrans-84.4128.7160.9-49-57.2000108.3W50 M86 L91 S92 L103 L105 I106 L145W50-I101 HydrophobicContact CE3-CD1 3.83Å; W50-I101 HydrophobicContact CE3-CG2 4.43Å; W50-I101 HydrophobicContact CZ3-CD1 3.88Å; W50-I101 HydrophobicContact CZ3-CG2 4.18Å; M86-I101 HydrophobicContact CE-CD1 4.11Å; M86-I101 HydrophobicContact SD-CD1 4.36Å; L91-I101 HydrophobicContact CB-CG1 4.1Å; L91-I101 HydrophobicContact CD2-CG1 3.88Å; L91-I101 WeakPolarHBondContact O-CA 3.41Å; L91-I101 VanDerWaalsContact O-CB 3.32Å; L91-I101 WeakPolarHBondContact O-CB 3.45Å; L91-I101 PolarHBondContact O-N 3.01Å; S92-I101 WeakPolarHBondContact CB-O 3.46Å; I101-L103 PolarHBondContact O-N 3.07Å; I101-L105 HydrophobicContact CG2-CD2 4.06Å; I101-I106 HydrophobicContact CB-CD1 4.23Å; I101-I106 HydrophobicContact CB-CG1 4.38Å; I101-I106 HydrophobicContact CG2-CD1 3.79Å; I101-I106 HydrophobicContact CG2-CG1 4.07Å; I101-L145 HydrophobicContact CD1-CD2 4.15Å; I101-L145 HydrophobicContact CG1-CD2 4.4Å
102P98.2Very high96.6Very high1 Ų138 Ų381%0.00619%0.188CC..  trans-61.5135-173.4-24.332.4000113.8W50 S51 W104 L105 I106W50-P102 HydrophobicContact CB-CG 4.11Å; W50-P102 HydrophobicContact CD2-CG 3.85Å; W50-P102 HydrophobicContact CG-CG 3.56Å; S51-P102 WeakPolarHBondContact OG-CA 3.06Å; P102-W104 VanDerWaalsContact CB-CD1 3.41Å; P102-W104 HydrophobicContact CB-CD2 4.17Å; P102-W104 HydrophobicContact CB-CG 4.07Å; P102-W104 HydrophobicContact CB-CZ2 4.17Å; P102-W104 HydrophobicContact CG-CZ2 4.17Å; P102-W104 PolarHBondContact O-N 2.81Å; P102-W104 VanDerWaalsContact O-N 3.12Å; P102-L105 WeakPolarHBondContact O-CB 3.39Å; P102-L105 PolarHBondContact O-N 2.84Å; P102-I106 PolarHBondContact O-N 3.48Å
103L97.8Very high96.6Very high54 Ų5442.1 Ų42.128%0.28321%0.214SC..Hα-helixtrans-56.4-33.8179.8-175.860.4000112.4R94 I101 L105 I106 N107R94-L103 HydrophobicContact CB-CD1 3.87Å; I101-L103 PolarHBondContact O-N 3.07Å; L103-L105 PolarHBondContact O-N 2.96Å; L103-I106 PolarHBondContact O-N 3.19Å; L103-N107 WeakPolarHBondContact O-CB 3.4Å; L103-N107 PolarHBondContact O-N 3.3Å; L103-N107 PolarHBondContact O-ND2 3.18Å; L103-N107 PolarHBondContact O-OD1 2.76Å
104W98.1Very high96.6Very high31 Ų3145.4 Ų45.412%0.11723%0.232CC..Hα-helixtrans-62.8-28.2177.264.3-103.2000113.2K54 P55 N56 I57 P102 Q108 H155K54-W104 HydrophobicContact CD-CZ2 4.24Å; K54-W104 HydrophobicContact CG-CZ2 4.15Å; K54-W104 PolarHBondContact O-NE1 3.4Å; P55-W104 VanDerWaalsContact O-CD1 3.28Å; N56-W104 VanDerWaalsContact CA-CD1 3.5Å; I57-W104 HydrophobicContact CB-CD2 4.1Å; I57-W104 HydrophobicContact CB-CE3 3.69Å; I57-W104 HydrophobicContact CB-CH2 4.36Å; I57-W104 HydrophobicContact CB-CZ3 3.85Å; I57-W104 HydrophobicContact CD1-CE3 4.29Å; I57-W104 HydrophobicContact CD1-CZ3 4.01Å; I57-W104 HydrophobicContact CG1-CE3 4.02Å; I57-W104 HydrophobicContact CG1-CH2 4.18Å; I57-W104 HydrophobicContact CG1-CZ3 3.67Å; P102-W104 VanDerWaalsContact CB-CD1 3.41Å; P102-W104 HydrophobicContact CB-CD2 4.17Å; P102-W104 HydrophobicContact CB-CG 4.07Å; P102-W104 HydrophobicContact CB-CZ2 4.17Å; P102-W104 HydrophobicContact CG-CZ2 4.17Å; P102-W104 PolarHBondContact O-N 2.81Å; P102-W104 VanDerWaalsContact O-N 3.12Å; W104-Q108 WeakPolarHBondContact O-CG 3.47Å; W104-Q108 PolarHBondContact O-NE2 3.16Å; W104-H155 HydrophobicContact CH2-CB 3.83Å; W104-H155 AromaticContact CH2-CG 3.67Å; W104-H155 AromaticContact CH2-ND1 3.96Å; W104-H155 HydrophobicContact CZ3-CB 4.41Å; W104-H155 AromaticContact CZ3-CD2 3.77Å; W104-H155 AromaticContact CZ3-CG 3.88Å; W104-H155 AromaticContact CZ3-NE2 4Å
105L98.4Very high96.7Very high0 Ų048.5 Ų48.50%025%0.253CS..Hα-helixtrans-80.7-48.1174.6176.157.1000110W50 I101 P102 L103 N107 Q108 F109 L145 A152 H155W50-L105 HydrophobicContact CH2-CD2 3.48Å; W50-L105 VanDerWaalsContact CH2-CD2 3.48Å; W50-L105 HydrophobicContact CZ2-CD2 3.84Å; W50-L105 HydrophobicContact CZ3-CD2 4.3Å; I101-L105 HydrophobicContact CG2-CD2 4.06Å; P102-L105 WeakPolarHBondContact O-CB 3.39Å; P102-L105 PolarHBondContact O-N 2.84Å; L103-L105 PolarHBondContact O-N 2.96Å; L105-N107 PolarHBondContact O-N 2.9Å; L105-Q108 WeakPolarHBondContact O-CB 3.38Å; L105-Q108 PolarHBondContact O-N 3.34Å; L105-F109 HydrophobicContact CD1-CE1 3.95Å; L105-F109 HydrophobicContact CD1-CZ 4.22Å; L105-F109 HydrophobicContact CD2-CZ 4.47Å; L105-F109 HydrophobicContact CG-CE1 4.19Å; L105-F109 HydrophobicContact CG-CZ 3.99Å; L105-L145 HydrophobicContact CD2-CD1 4.44Å; L105-A152 HydrophobicContact CD1-CB 4.21Å; L105-A152 HydrophobicContact CD2-CB 4.31Å; L105-H155 HydrophobicContact CD2-CB 4.5Å
106I98.2Very high96.8Very high2 Ų251.2 Ų51.21%0.0127%0.266CS..Hα-helixtrans-57.8-32.7177.9-63-58.4000111.9R94 Y95 I101 P102 L103 Q108 F109R94-I106 HydrophobicContact CB-CG2 3.65Å; R94-I106 HydrophobicContact CG-CG2 3.69Å; Y95-I106 HydrophobicContact CE2-CD1 4.3Å; Y95-I106 HydrophobicContact CE2-CG2 4.14Å; I101-I106 HydrophobicContact CB-CD1 4.23Å; I101-I106 HydrophobicContact CB-CG1 4.38Å; I101-I106 HydrophobicContact CG2-CD1 3.79Å; I101-I106 HydrophobicContact CG2-CG1 4.07Å; P102-I106 PolarHBondContact O-N 3.48Å; L103-I106 PolarHBondContact O-N 3.19Å; I106-Q108 PolarHBondContact O-N 3.31Å; I106-F109 HydrophobicContact CD1-CD2 3.82Å; I106-F109 HydrophobicContact CD1-CE2 3.6Å; I106-F109 WeakPolarHBondContact O-CB 3.18Å; I106-F109 PolarHBondContact O-N 3.48Å; I106-F109 VanDerWaalsContact O-N 3.12Å
107N97.5Very high97.1Very high83 Ų8351.1 Ų51.144%0.44426%0.256SS..THydrogen-bonded Turntrans-63.3-19.7175.1-72.9-12.1000114.3R94 L103 L105R94-N107 VanDerWaalsContact CZ-OD1 3.29Å; R94-N107 PolarHBondContact NH2-OD1 2.97Å; L103-N107 WeakPolarHBondContact O-CB 3.4Å; L103-N107 PolarHBondContact O-N 3.3Å; L103-N107 PolarHBondContact O-ND2 3.18Å; L103-N107 PolarHBondContact O-OD1 2.76Å; L105-N107 PolarHBondContact O-N 2.9Å
108Q97.8Very high97.2Very high76 Ų7651.5 Ų51.536%0.35526%0.257SS..THydrogen-bonded Turntrans-89.3-8.1178-54.9-177.620.200112.7W104 L105 I106 S150W104-Q108 WeakPolarHBondContact O-CG 3.47Å; W104-Q108 PolarHBondContact O-NE2 3.16Å; L105-Q108 WeakPolarHBondContact O-CB 3.38Å; L105-Q108 PolarHBondContact O-N 3.34Å; I106-Q108 PolarHBondContact O-N 3.31Å; Q108-S150 PolarHBondContact O-OG 2.89Å
109F98.2Very high97.2Very high9 Ų952 Ų524%0.03926%0.263CS..SBendtrans-81.2142.9178.1-65.6-9.2000110.7L105 I106 R111 Q144 L145 V149 A152L105-F109 HydrophobicContact CD1-CE1 3.95Å; L105-F109 HydrophobicContact CD1-CZ 4.22Å; L105-F109 HydrophobicContact CD2-CZ 4.47Å; L105-F109 HydrophobicContact CG-CE1 4.19Å; L105-F109 HydrophobicContact CG-CZ 3.99Å; I106-F109 HydrophobicContact CD1-CD2 3.82Å; I106-F109 HydrophobicContact CD1-CE2 3.6Å; I106-F109 WeakPolarHBondContact O-CB 3.18Å; I106-F109 PolarHBondContact O-N 3.48Å; I106-F109 VanDerWaalsContact O-N 3.12Å; F109-R111 PolarHBondContact O-N 3.06Å; F109-Q144 HydrophobicContact CB-CB 4.39Å; F109-Q144 HydrophobicContact CD1-CB 4.18Å; F109-Q144 HydrophobicContact CD2-CB 3.97Å; F109-Q144 HydrophobicContact CE1-CB 4.47Å; F109-Q144 HydrophobicContact CE2-CB 4.25Å; F109-Q144 HydrophobicContact CG-CB 3.93Å; F109-L145 HydrophobicContact CE2-CB 4.18Å; F109-L145 HydrophobicContact CZ-CB 4.2Å; F109-L145 HydrophobicContact CZ-CD1 4.48Å; F109-V149 HydrophobicContact CD1-CB 4.35Å; F109-V149 HydrophobicContact CD1-CG1 4.14Å; F109-V149 HydrophobicContact CE1-CB 4.42Å; F109-A152 HydrophobicContact CE1-CB 4.1Å; F109-A152 HydrophobicContact CZ-CB 4.02Å
110K97.6Very high97.2Very high168 Ų16854.4 Ų54.473%0.7327%0.27SS*.PPolyproline II helixtrans-67123.4176.2-175.8177.9178.6-1790109.1N140 Q144K110-N140 PolarHBondContact O-ND2 3.07Å; K110-N140 VanDerWaalsContact O-ND2 3.08Å; K110-Q144 PolarHBondContact O-NE2 2.93Å
111R97.4Very high97.1Very high114 Ų11457.3 Ų57.343%0.4329%0.288SS..PPolyproline II helixtrans-77.5146.9175.2-60.3-171.473.3-154.3-0.1110.9F109 Q117 E137F109-R111 PolarHBondContact O-N 3.06Å; R111-Q117 VanDerWaalsContact CZ-CD 3.44Å; R111-E137 IonicContact CZ-OE1 2.65Å; R111-E137 VanDerWaalsContact CZ-OE1 3.27Å; R111-E137 IonicContact NE-OE1 3.89Å; R111-E137 PolarHBondContact NE-OE1 2.9Å; R111-E137 IonicContact NH2-OE1 4Å; R111-E137 PolarHBondContact NH2-OE1 3.2Å; R111-E137 IonicContact NH2-OE2 2.87Å; R111-E137 PolarHBondContact NH2-OE2 3.24Å
112P96.9Very high97Very high12 Ų1261.4 Ų61.48%0.07830%0.304CS..PPolyproline II helixtrans-71.4168.9171.333.2-35.9000111.2M116 Q117 Y136 E137P112-M116 HydrophobicContact CB-CB 4.13Å; P112-Q117 HydrophobicContact CG-CG 3.9Å; P112-Q117 PolarHBondContact O-NE2 2.97Å; P112-Y136 HydrophobicContact CB-CD1 3.72Å; P112-Y136 HydrophobicContact CB-CE1 3.57Å; P112-Y136 HydrophobicContact CG-CD1 3.94Å; P112-Y136 HydrophobicContact CG-CE1 4.24Å; P112-E137 HydrophobicContact CG-CB 4.37Å; P112-E137 HydrophobicContact CG-CG 3.77Å
113P97.2Very high96.7Very high86 Ų8671.3 Ų71.356%0.55835%0.347SS*.PPolyproline II helixtrans-51145.3169.8-25.234.9000111.3I115 M116 Q117P113-I115 HydrophobicContact CB-CG2 4.42Å; P113-I115 PolarHBondContact O-N 2.84Å; P113-M116 PolarHBondContact O-N 3.46Å; P113-Q117 PolarHBondContact O-N 2.98Å
114T96.7Very high96.5Very high117 Ų11777 Ų7772%0.71837%0.37SS*.G310 helixtrans-52.3-32.8-173-48.30000113.9M116 Q117T114-M116 PolarHBondContact O-N 3.44Å; T114-Q117 WeakPolarHBondContact O-CB 3.27Å; T114-Q117 PolarHBondContact O-N 3.04Å
115I96.4Very high96.1Very high136 Ų13680.1 Ų80.170%0.69739%0.388SS*.G310 helixtrans-68.7-19.3178.2-165.3166.8000114.3P113P113-I115 HydrophobicContact CB-CG2 4.42Å; P113-I115 PolarHBondContact O-N 2.84Å
116M96.7Very high95.6Very high64 Ų6481 Ų8132%0.31539%0.394SS..G310 helixtrans-107.96.2177.7-65.8177177.900112.3P112 P113 T114 Y136P112-M116 HydrophobicContact CB-CB 4.13Å; P113-M116 PolarHBondContact O-N 3.46Å; T114-M116 PolarHBondContact O-N 3.44Å; M116-Y136 HydrophobicContact CB-CD1 4.09Å; M116-Y136 HydrophobicContact CB-CG 4.1Å; M116-Y136 WeakPolarHBondContact O-CB 3.47Å; M116-Y136 HydrophobicContact SD-CD2 4.25Å; M116-Y136 HydrophobicContact SD-CE1 4.49Å; M116-Y136 HydrophobicContact SD-CE2 3.98Å
117Q96.6Very high95.1Very high33 Ų3391.3 Ų91.315%0.15444%0.439CS..SBendtrans-75170.6170.6-70.7175.614.700109.9R111 P112 P113 T114 W120 E137R111-Q117 VanDerWaalsContact CZ-CD 3.44Å; P112-Q117 HydrophobicContact CG-CG 3.9Å; P112-Q117 PolarHBondContact O-NE2 2.97Å; P113-Q117 PolarHBondContact O-N 2.98Å; T114-Q117 WeakPolarHBondContact O-CB 3.27Å; T114-Q117 PolarHBondContact O-N 3.04Å; Q117-W120 WeakPolarHBondContact O-CB 3.48Å; Q117-W120 PolarHBondContact O-N 3.38Å; Q117-E137 WeakPolarHBondContact CA-OE2 3.22Å; Q117-E137 VanDerWaalsContact CB-OE2 3.24Å; Q117-E137 WeakPolarHBondContact CB-OE2 3.29Å; Q117-E137 HydrophobicContact CG-CG 4.36Å
118E95Very high94.4Very high35 Ų3594.7 Ų94.716%0.16445%0.445CS..THydrogen-bonded Turntrans-51.1136176.7-66.3-54.3151.800111.5Y95 L125 T135 E137 C138Y95-E118 HydrophobicContact CD1-CG 4.31Å; E118-L125 HydrophobicContact CB-CD2 3.94Å; E118-T135 VanDerWaalsContact CD-OG1 3.28Å; E118-T135 VanDerWaalsContact OE1-CB 3.23Å; E118-T135 WeakPolarHBondContact OE1-CB 3.07Å; E118-T135 PolarHBondContact OE1-OG1 3.39Å; E118-T135 WeakPolarHBondContact OE2-CB 3.5Å; E118-T135 WeakPolarHBondContact OE2-CG2 3.37Å; E118-T135 PolarHBondContact OE2-OG1 2.88Å; E118-E137 HydrophobicContact CG-CB 4.05Å; E118-E137 PolarHBondContact N-OE2 3.42Å; E118-E137 WeakPolarHBondContact OE1-CB 3.19Å; E118-C138 PolarHBondContact OE1-N 3.08Å
119P94.9Very high93.8Very high37 Ų3793.6 Ų93.624%0.2444%0.442CS..THydrogen-bonded Turncis-97.217.110.337.3-35.5000115.4Y122 K124 L125P119-Y122 WeakPolarHBondContact O-CA 3.36Å; P119-Y122 VanDerWaalsContact O-CB 3.29Å; P119-Y122 WeakPolarHBondContact O-CB 3.16Å; P119-Y122 PolarHBondContact O-N 3.34Å; P119-K124 WeakPolarHBondContact CB-O 3.49Å; P119-L125 HydrophobicContact CB-CD2 4.03Å; P119-L125 HydrophobicContact CB-CG 4.38Å
120W96.3Very high93.1Very high85 Ų8593.6 Ų93.632%0.32244%0.444SS..THydrogen-bonded Turntrans-57.5133.4-172.4-172.496.5000111.8Q117 T135 Y136 Y188Q117-W120 WeakPolarHBondContact O-CB 3.48Å; Q117-W120 PolarHBondContact O-N 3.38Å; W120-T135 VanDerWaalsContact O-CA 3.31Å; W120-T135 WeakPolarHBondContact O-CA 3.45Å; W120-T135 WeakPolarHBondContact O-CB 3.2Å; W120-Y136 HydrophobicContact CE3-CD2 4.29Å; W120-Y136 HydrophobicContact CE3-CG 4.22Å; W120-Y136 HydrophobicContact CH2-CD2 4.38Å; W120-Y136 AromaticContact CZ3-CD2 3.71Å; W120-Y136 HydrophobicContact CZ3-CD2 3.71Å; W120-Y136 HydrophobicContact CZ3-CG 4.08Å; W120-Y136 PolarHBondContact O-N 3.15Å; W120-Y188 AromaticContact CH2-CD1 3.77Å; W120-Y188 HydrophobicContact CH2-CD1 3.77Å; W120-Y188 AromaticContact CH2-CE1 3.54Å; W120-Y188 HydrophobicContact CH2-CE1 3.54Å; W120-Y188 AromaticContact CZ3-CD1 3.78Å; W120-Y188 HydrophobicContact CZ3-CD1 3.78Å; W120-Y188 HydrophobicContact CZ3-CD2 4.27Å; W120-Y188 AromaticContact CZ3-CE1 3.42Å; W120-Y188 HydrophobicContact CZ3-CE1 3.42Å; W120-Y188 VanDerWaalsContact CZ3-CE1 3.42Å; W120-Y188 AromaticContact CZ3-CE2 3.95Å; W120-Y188 HydrophobicContact CZ3-CE2 3.95Å; W120-Y188 HydrophobicContact CZ3-CG 4.19Å; W120-Y188 AromaticContact CZ3-CZ 3.51Å
121P95.9Very high92.8Very high60 Ų6086.3 Ų86.339%0.3942%0.416SS..THydrogen-bonded Turncis-902.313.837.9-39.7000115.3L134 Y188P121-L134 WeakPolarHBondContact CD-O 3.42Å; P121-Y188 WeakPolarHBondContact CD-OH 3.45Å; P121-Y188 WeakPolarHBondContact CG-OH 3.15Å
122Y94.6Very high92.6Very high87 Ų8781.5 Ų81.534%0.34140%0.397SS..SBendtrans-74.3161.9176.7-55.5-76.4000111.6P119 K124 P126 L134 T135P119-Y122 WeakPolarHBondContact O-CA 3.36Å; P119-Y122 VanDerWaalsContact O-CB 3.29Å; P119-Y122 WeakPolarHBondContact O-CB 3.16Å; P119-Y122 PolarHBondContact O-N 3.34Å; Y122-K124 VanDerWaalsContact CB-O 3.25Å; Y122-K124 WeakPolarHBondContact CB-O 3.29Å; Y122-P126 HydrophobicContact CD2-CG 3.78Å; Y122-P126 HydrophobicContact CE2-CG 3.85Å; Y122-L134 HydrophobicContact CE2-CB 4.27Å; Y122-L134 WeakPolarHBondContact OH-CB 3.2Å; Y122-L134 VanDerWaalsContact OH-CD1 3.26Å; Y122-L134 WeakPolarHBondContact OH-CD1 3.24Å; Y122-T135 HydrophobicContact CD2-CG2 3.82Å; Y122-T135 HydrophobicContact CE2-CG2 3.86Å
123K93.1Very high92.5Very high209 Ų20982 Ų8291%0.90940%0.398SS*.SBendtrans-83.6-20.6172.9-65.3-175.8179.8179.70113.1
124K93.1Very high92.4Very high174 Ų17481.8 Ų81.876%0.75739%0.392SS*.SBendtrans-144.2155.8-178-65.5-174.9178.9-177.10108P119 Y122P119-K124 WeakPolarHBondContact CB-O 3.49Å; Y122-K124 VanDerWaalsContact CB-O 3.25Å; Y122-K124 WeakPolarHBondContact CB-O 3.29Å
125L90.2Very high92.4Very high96 Ų9676.2 Ų76.250%0.50336%0.358SS..  trans-54.3133.4174.3-67.3170000109.9E118 P119 Y132E118-L125 HydrophobicContact CB-CD2 3.94Å; P119-L125 HydrophobicContact CB-CD2 4.03Å; P119-L125 HydrophobicContact CB-CG 4.38Å; L125-Y132 HydrophobicContact CB-CE1 4.39Å; L125-Y132 HydrophobicContact CD2-CE1 3.98Å
126P88.1Confident92.4Very high18 Ų1871.7 Ų71.712%0.11733%0.332CS..  trans-51.1149.6170.8-26.631.1000113.1Y122 A131 Y132 T135Y122-P126 HydrophobicContact CD2-CG 3.78Å; Y122-P126 HydrophobicContact CE2-CG 3.85Å; P126-A131 HydrophobicContact CB-CB 3.62Å; P126-A131 HydrophobicContact CG-CB 4.09Å; P126-Y132 HydrophobicContact CB-CD1 4.45Å; P126-Y132 HydrophobicContact CB-CD2 4.44Å; P126-Y132 HydrophobicContact CB-CE1 4.3Å; P126-Y132 HydrophobicContact CB-CE2 4.28Å; P126-Y132 VanDerWaalsContact CD-CE1 3.45Å; P126-Y132 HydrophobicContact CG-CD1 3.9Å; P126-Y132 HydrophobicContact CG-CE1 3.95Å; P126-Y132 HydrophobicContact CG-CG 4.29Å; P126-Y132 PolarHBondContact O-OH 3.03Å; P126-T135 HydrophobicContact CG-CG2 4.31Å
127K86Confident92.4Very high218 Ų21868.9 Ų68.995%0.94832%0.318SS*.SBendtrans-89.3-17.2175.9-70.2-172.2175.6-173.80113.8
128W84.3Confident92.5Very high155 Ų15567.3 Ų67.359%0.58731%0.311SS*.SBendtrans-122.2135.7-176.5164.660000108.6G130 A131W128-G130 VanDerWaalsContact C-N 3.32Å; W128-G130 PolarHBondContact O-N 2.85Å; W128-A131 HydrophobicContact CE3-CB 3.82Å; W128-A131 VanDerWaalsContact CE3-N 3.33Å; W128-A131 HydrophobicContact CZ3-CB 4.31Å; W128-A131 WeakPolarHBondContact O-CB 3.32Å; W128-A131 PolarHBondContact O-N 3.46Å; W128-A131 VanDerWaalsContact O-N 3.08Å
129D83.9Confident92.6Very high53 Ų5365.7 Ų65.728%0.28330%0.303SS..G310 helixtrans-61.4-38.8-167.9-62.6-25.2000113D89 T97 A131 Y132D89-D129 HydrophobicContact CB-CB 3.65Å; T97-D129 HydrophobicContact CG2-CB 4Å; T97-D129 WeakPolarHBondContact CG2-OD1 3.46Å; D129-A131 PolarHBondContact O-N 3Å; D129-A131 VanDerWaalsContact O-N 3.16Å; D129-Y132 WeakPolarHBondContact O-CB 3.39Å; D129-Y132 WeakPolarHBondContact O-CD2 3.47Å; D129-Y132 PolarHBondContact O-N 3.3Å
130G84.6Confident92.8Very high9 Ų965.2 Ų65.29%0.09330%0.299CS..G310 helixtrans-64.6-21.3179.500000114.2W128 Y132 Y133W128-G130 VanDerWaalsContact C-N 3.32Å; W128-G130 PolarHBondContact O-N 2.85Å; G130-Y132 VanDerWaalsContact C-N 3.27Å; G130-Y132 PolarHBondContact O-N 3.38Å; G130-Y133 WeakPolarHBondContact O-CB 3.38Å; G130-Y133 WeakPolarHBondContact O-CD2 3.42Å; G130-Y133 PolarHBondContact O-N 2.9Å
131A90.4Very high92.9Very high15 Ų1561.1 Ų61.112%0.12428%0.283CS..G310 helixtrans-74.4-17.5175.500000112.8P126 W128 D129 Y133 L134P126-A131 HydrophobicContact CB-CB 3.62Å; P126-A131 HydrophobicContact CG-CB 4.09Å; W128-A131 HydrophobicContact CE3-CB 3.82Å; W128-A131 VanDerWaalsContact CE3-N 3.33Å; W128-A131 HydrophobicContact CZ3-CB 4.31Å; W128-A131 WeakPolarHBondContact O-CB 3.32Å; W128-A131 PolarHBondContact O-N 3.46Å; W128-A131 VanDerWaalsContact O-N 3.08Å; D129-A131 PolarHBondContact O-N 3Å; D129-A131 VanDerWaalsContact O-N 3.16Å; A131-Y133 PolarHBondContact O-N 3.06Å; A131-L134 WeakPolarHBondContact O-CB 3.37Å; A131-L134 PolarHBondContact O-N 2.84Å; A131-L134 VanDerWaalsContact O-N 3.13Å
132Y94Very high93Very high12 Ų1258.3 Ų58.35%0.04727%0.265CS..G310 helixtrans-66.1-25.2169.8-68.4-74.7000111.8Y95 G96 T97 L125 P126 D129 G130 L134 T135 C138Y95-Y132 WeakPolarHBondContact O-CD1 3.4Å; Y95-Y132 WeakPolarHBondContact O-CE1 3.31Å; G96-Y132 PolarHBondContact O-OH 2.91Å; T97-Y132 HydrophobicContact CG2-CD2 3.38Å; T97-Y132 HydrophobicContact CG2-CE2 3.6Å; T97-Y132 HydrophobicContact CG2-CG 4.21Å; L125-Y132 HydrophobicContact CB-CE1 4.39Å; L125-Y132 HydrophobicContact CD2-CE1 3.98Å; P126-Y132 HydrophobicContact CB-CD1 4.45Å; P126-Y132 HydrophobicContact CB-CD2 4.44Å; P126-Y132 HydrophobicContact CB-CE1 4.3Å; P126-Y132 HydrophobicContact CB-CE2 4.28Å; P126-Y132 VanDerWaalsContact CD-CE1 3.45Å; P126-Y132 HydrophobicContact CG-CD1 3.9Å; P126-Y132 HydrophobicContact CG-CE1 3.95Å; P126-Y132 HydrophobicContact CG-CG 4.29Å; P126-Y132 PolarHBondContact O-OH 3.03Å; D129-Y132 WeakPolarHBondContact O-CB 3.39Å; D129-Y132 WeakPolarHBondContact O-CD2 3.47Å; D129-Y132 PolarHBondContact O-N 3.3Å; G130-Y132 VanDerWaalsContact C-N 3.27Å; G130-Y132 PolarHBondContact O-N 3.38Å; Y132-L134 PolarHBondContact O-N 3.45Å; Y132-T135 HydrophobicContact CD1-CG2 4.36Å; Y132-T135 PolarHBondContact O-N 2.9Å; Y132-T135 PolarHBondContact O-OG1 2.91Å; Y132-C138 WeakPolarHBondContact O-CB 3.35Å; Y132-C138 PolarHBondContact O-SG 3.37Å
133Y94.1Very high93.2Very high22 Ų2254.4 Ų54.49%0.08625%0.25CC..G310 helixtrans-65.3-5.6172.8-59-44.3000114.1Q88 D89 G90 G130 A131 T139 E181 P183Q88-Y133 PolarHBondContact NE2-OH 3.43Å; Q88-Y133 PolarHBondContact OE1-OH 3.14Å; D89-Y133 WeakPolarHBondContact CA-OH 3.5Å; G90-Y133 PolarHBondContact N-OH 3.16Å; G90-Y133 VanDerWaalsContact N-OH 3.17Å; G130-Y133 WeakPolarHBondContact O-CB 3.38Å; G130-Y133 WeakPolarHBondContact O-CD2 3.42Å; G130-Y133 PolarHBondContact O-N 2.9Å; A131-Y133 PolarHBondContact O-N 3.06Å; Y133-T139 WeakPolarHBondContact O-CG2 3.4Å; Y133-E181 PolarHBondContact OH-O 3.24Å; Y133-P183 HydrophobicContact CD1-CB 3.62Å; Y133-P183 HydrophobicContact CD1-CG 4.2Å; Y133-P183 HydrophobicContact CE1-CB 3.87Å; Y133-P183 HydrophobicContact CE1-CG 4Å; Y133-P183 HydrophobicContact CG-CB 4.21Å
134L94.8Very high93.4Very high83 Ų8345.2 Ų45.244%0.43521%0.21SC..G310 helixtrans-101.9-2.8175-59.1177.2000113.1P121 Y122 A131 Y132 F187 Y188P121-L134 WeakPolarHBondContact CD-O 3.42Å; Y122-L134 HydrophobicContact CE2-CB 4.27Å; Y122-L134 WeakPolarHBondContact OH-CB 3.2Å; Y122-L134 VanDerWaalsContact OH-CD1 3.26Å; Y122-L134 WeakPolarHBondContact OH-CD1 3.24Å; A131-L134 WeakPolarHBondContact O-CB 3.37Å; A131-L134 PolarHBondContact O-N 2.84Å; A131-L134 VanDerWaalsContact O-N 3.13Å; Y132-L134 PolarHBondContact O-N 3.45Å; L134-F187 HydrophobicContact CD2-CE1 4.45Å; L134-F187 HydrophobicContact CD2-CZ 4.21Å; L134-Y188 PolarHBondContact O-OH 3.32Å
135T96.7Very high93.7Very high0 Ų036.9 Ų36.90%017%0.174CC..SBendtrans-85.6152.5178.467.80000110.4E118 W120 Y122 P126 Y132 C138 T139E118-T135 VanDerWaalsContact CD-OG1 3.28Å; E118-T135 VanDerWaalsContact OE1-CB 3.23Å; E118-T135 WeakPolarHBondContact OE1-CB 3.07Å; E118-T135 PolarHBondContact OE1-OG1 3.39Å; E118-T135 WeakPolarHBondContact OE2-CB 3.5Å; E118-T135 WeakPolarHBondContact OE2-CG2 3.37Å; E118-T135 PolarHBondContact OE2-OG1 2.88Å; W120-T135 VanDerWaalsContact O-CA 3.31Å; W120-T135 WeakPolarHBondContact O-CA 3.45Å; W120-T135 WeakPolarHBondContact O-CB 3.2Å; Y122-T135 HydrophobicContact CD2-CG2 3.82Å; Y122-T135 HydrophobicContact CE2-CG2 3.86Å; P126-T135 HydrophobicContact CG-CG2 4.31Å; Y132-T135 HydrophobicContact CD1-CG2 4.36Å; Y132-T135 PolarHBondContact O-N 2.9Å; Y132-T135 PolarHBondContact O-OG1 2.91Å; T135-C138 WeakPolarHBondContact OG1-CB 3.45Å; T135-C138 PolarHBondContact OG1-N 3.25Å; T135-T139 WeakPolarHBondContact O-CB 3.29Å; T135-T139 WeakPolarHBondContact O-CG2 3.27Å; T135-T139 PolarHBondContact O-N 3.35Å; T135-T139 VanDerWaalsContact O-N 3.09Å; T135-T139 PolarHBondContact O-OG1 2.92Å
136Y97.4Very high94.1Very high41 Ų4132.7 Ų32.716%0.16115%0.151CC..Hα-helixtrans-67.8-41-179.9-171.1-70.4000111.4P112 M116 W120 T139 N140 Y188P112-Y136 HydrophobicContact CB-CD1 3.72Å; P112-Y136 HydrophobicContact CB-CE1 3.57Å; P112-Y136 HydrophobicContact CG-CD1 3.94Å; P112-Y136 HydrophobicContact CG-CE1 4.24Å; M116-Y136 HydrophobicContact CB-CD1 4.09Å; M116-Y136 HydrophobicContact CB-CG 4.1Å; M116-Y136 WeakPolarHBondContact O-CB 3.47Å; M116-Y136 HydrophobicContact SD-CD2 4.25Å; M116-Y136 HydrophobicContact SD-CE1 4.49Å; M116-Y136 HydrophobicContact SD-CE2 3.98Å; W120-Y136 HydrophobicContact CE3-CD2 4.29Å; W120-Y136 HydrophobicContact CE3-CG 4.22Å; W120-Y136 HydrophobicContact CH2-CD2 4.38Å; W120-Y136 AromaticContact CZ3-CD2 3.71Å; W120-Y136 HydrophobicContact CZ3-CD2 3.71Å; W120-Y136 HydrophobicContact CZ3-CG 4.08Å; W120-Y136 PolarHBondContact O-N 3.15Å; Y136-T139 WeakPolarHBondContact CA-OG1 3.3Å; Y136-T139 PolarHBondContact O-OG1 2.89Å; Y136-T139 VanDerWaalsContact O-OG1 3.1Å; Y136-N140 HydrophobicContact CD1-CB 4.09Å; Y136-N140 HydrophobicContact CE1-CB 3.98Å; Y136-N140 WeakPolarHBondContact O-CB 3.32Å; Y136-N140 PolarHBondContact O-N 3.02Å; Y136-Y188 HydrophobicContact CD2-CD1 4.36Å; Y136-Y188 AromaticContact CD2-CD2 3.61Å; Y136-Y188 HydrophobicContact CD2-CD2 3.61Å; Y136-Y188 HydrophobicContact CD2-CE2 4.38Å; Y136-Y188 AromaticContact CD2-CG 3.6Å; Y136-Y188 HydrophobicContact CD2-CG 3.6Å; Y136-Y188 HydrophobicContact CE2-CD2 4.37Å; Y136-Y188 HydrophobicContact CE2-CG 4.08Å; Y136-Y188 HydrophobicContact CG-CD2 4.16Å
137E97.3Very high94.6Very high4 Ų436.8 Ų36.82%0.01917%0.169CC..Hα-helixtrans-64.8-45.5-176-144.8-176.6168.200111.8Y95 R111 P112 Q117 E118 N140 G141Y95-E137 HydrophobicContact CD1-CB 3.97Å; Y95-E137 HydrophobicContact CD1-CG 4.12Å; Y95-E137 HydrophobicContact CE1-CB 3.98Å; Y95-E137 HydrophobicContact CE1-CG 3.74Å; Y95-E137 WeakPolarHBondContact CE1-O 3.15Å; R111-E137 IonicContact CZ-OE1 2.65Å; R111-E137 VanDerWaalsContact CZ-OE1 3.27Å; R111-E137 IonicContact NE-OE1 3.89Å; R111-E137 PolarHBondContact NE-OE1 2.9Å; R111-E137 IonicContact NH2-OE1 4Å; R111-E137 PolarHBondContact NH2-OE1 3.2Å; R111-E137 IonicContact NH2-OE2 2.87Å; R111-E137 PolarHBondContact NH2-OE2 3.24Å; P112-E137 HydrophobicContact CG-CB 4.37Å; P112-E137 HydrophobicContact CG-CG 3.77Å; Q117-E137 WeakPolarHBondContact CA-OE2 3.22Å; Q117-E137 VanDerWaalsContact CB-OE2 3.24Å; Q117-E137 WeakPolarHBondContact CB-OE2 3.29Å; Q117-E137 HydrophobicContact CG-CG 4.36Å; E118-E137 HydrophobicContact CG-CB 4.05Å; E118-E137 PolarHBondContact N-OE2 3.42Å; E118-E137 WeakPolarHBondContact OE1-CB 3.19Å; E137-N140 PolarHBondContact O-N 3.46Å; E137-G141 PolarHBondContact O-N 2.61Å
138C97.3Very high95.2Very high0 Ų029.1 Ų29.10%014%0.138CC..Hα-helixtrans-64.3-48.6176.2-176.50000112.2L91 Y95 E118 Y132 T135 N140 G141 A142L91-C138 WeakPolarHBondContact CD1-O 3.45Å; Y95-C138 HydrophobicContact CD1-CB 4.3Å; Y95-C138 HydrophobicContact CD2-CB 4.17Å; Y95-C138 HydrophobicContact CG-CB 3.93Å; E118-C138 PolarHBondContact OE1-N 3.08Å; Y132-C138 WeakPolarHBondContact O-CB 3.35Å; Y132-C138 PolarHBondContact O-SG 3.37Å; T135-C138 WeakPolarHBondContact OG1-CB 3.45Å; T135-C138 PolarHBondContact OG1-N 3.25Å; C138-N140 VanDerWaalsContact C-N 3.26Å; C138-N140 PolarHBondContact O-N 3.46Å; C138-G141 WeakPolarHBondContact O-CA 3.47Å; C138-G141 PolarHBondContact O-N 3.07Å; C138-A142 PolarHBondContact O-N 2.92Å
139T97.8Very high95.8Very high1 Ų123.8 Ų23.81%0.00612%0.123CC..Hα-helixtrans-63.1-33.9178.658.70000112.5Y133 T135 Y136 Q143 G185 N186 F187Y133-T139 WeakPolarHBondContact O-CG2 3.4Å; T135-T139 WeakPolarHBondContact O-CB 3.29Å; T135-T139 WeakPolarHBondContact O-CG2 3.27Å; T135-T139 PolarHBondContact O-N 3.35Å; T135-T139 VanDerWaalsContact O-N 3.09Å; T135-T139 PolarHBondContact O-OG1 2.92Å; Y136-T139 WeakPolarHBondContact CA-OG1 3.3Å; Y136-T139 PolarHBondContact O-OG1 2.89Å; Y136-T139 VanDerWaalsContact O-OG1 3.1Å; T139-Q143 PolarHBondContact O-N 2.9Å; T139-G185 WeakPolarHBondContact CB-O 3.14Å; T139-G185 CarbonylContact O-C 3.59Å; T139-N186 WeakPolarHBondContact O-CB 3.46Å; T139-N186 PolarHBondContact O-N 2.95Å; T139-F187 HydrophobicContact CG2-CD1 4.08Å; T139-F187 HydrophobicContact CG2-CE1 3.49Å; T139-F187 VanDerWaalsContact CG2-CE1 3.49Å; T139-F187 HydrophobicContact CG2-CZ 4.09Å
140N98.2Very high96.5Very high27 Ų2724 Ų2414%0.14413%0.129CC..Hα-helixtrans-68.4-36.4171.8-176.874.3000112.5K110 Y136 E137 C138 Q144 N186K110-N140 PolarHBondContact O-ND2 3.07Å; K110-N140 VanDerWaalsContact O-ND2 3.08Å; Y136-N140 HydrophobicContact CD1-CB 4.09Å; Y136-N140 HydrophobicContact CE1-CB 3.98Å; Y136-N140 WeakPolarHBondContact O-CB 3.32Å; Y136-N140 PolarHBondContact O-N 3.02Å; E137-N140 PolarHBondContact O-N 3.46Å; C138-N140 VanDerWaalsContact C-N 3.26Å; C138-N140 PolarHBondContact O-N 3.46Å; N140-Q144 PolarHBondContact ND2-NE2 3.45Å; N140-Q144 WeakPolarHBondContact O-CG 3.2Å; N140-Q144 PolarHBondContact O-N 3.09Å; N140-Q144 PolarHBondContact O-NE2 3.28Å; N140-N186 PolarHBondContact OD1-ND2 3.03Å
141G98.3Very high97.1Very high0 Ų024.5 Ų24.50%013%0.134CC..Hα-helixtrans-62.1-50.1170.300000112.3Y95 E137 C138 Q143 Q144 L145Y95-G141 VanDerWaalsContact OH-CA 3.26Å; Y95-G141 WeakPolarHBondContact OH-CA 3.24Å; E137-G141 PolarHBondContact O-N 2.61Å; C138-G141 WeakPolarHBondContact O-CA 3.47Å; C138-G141 PolarHBondContact O-N 3.07Å; G141-Q143 VanDerWaalsContact C-N 3.3Å; G141-Q143 PolarHBondContact O-N 2.91Å; G141-Q144 PolarHBondContact O-N 3.31Å; G141-L145 PolarHBondContact O-N 2.91Å
142A98.3Very high97.5Very high0 Ų023.8 Ų23.80%013%0.128CC..Hα-helixtrans-55.7-45.3176.100000111.6L91 C138 Q144 L145 Y146 P183L91-A142 HydrophobicContact CD1-CB 4.01Å; C138-A142 PolarHBondContact O-N 2.92Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.31Å; A142-L145 WeakPolarHBondContact O-CB 3.4Å; A142-L145 PolarHBondContact O-N 2.65Å; A142-Y146 HydrophobicContact CB-CE2 4.17Å; A142-Y146 WeakPolarHBondContact O-CD2 3.32Å; A142-Y146 VanDerWaalsContact O-CG 3.3Å; A142-Y146 PolarHBondContact O-N 3.43Å; A142-Y146 VanDerWaalsContact O-N 3.07Å; A142-P183 HydrophobicContact CB-CB 3.97Å; A142-P183 HydrophobicContact CB-CG 3.55Å
143Q98.6Very high97.7Very high6 Ų625.5 Ų25.53%0.02813%0.134CC..Hα-helixtrans-63.8-39.9180-167.857.140.500112.6T139 G141 L145 Y146 E147 N186 R193 N203T139-Q143 PolarHBondContact O-N 2.9Å; G141-Q143 VanDerWaalsContact C-N 3.3Å; G141-Q143 PolarHBondContact O-N 2.91Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-Y146 PolarHBondContact O-N 2.95Å; Q143-E147 HydrophobicContact CG-CG 4.37Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.31Å; Q143-E147 PolarHBondContact NE2-OE1 3.16Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 WeakPolarHBondContact O-CG 3.23Å; Q143-E147 PolarHBondContact O-N 3.35Å; Q143-N186 HydrophobicContact CB-CB 3.61Å; Q143-N186 HydrophobicContact CG-CB 4.06Å; Q143-R193 VanDerWaalsContact CD-NE 3.26Å; Q143-R193 VanDerWaalsContact NE2-NH2 3.11Å; Q143-R193 VanDerWaalsContact OE1-NE 3.07Å; Q143-N203 PolarHBondContact NE2-OD1 2.91Å; Q143-N203 VanDerWaalsContact NE2-OD1 3.15Å; Q143-N203 PolarHBondContact OE1-ND2 3.5Å
144Q98.6Very high97.9Very high15 Ų1527.9 Ų27.97%0.0715%0.148CC..Hα-helixtrans-68.4-34178-73-178.690.200112.5F109 K110 N140 G141 A142 E147 N148 V149F109-Q144 HydrophobicContact CB-CB 4.39Å; F109-Q144 HydrophobicContact CD1-CB 4.18Å; F109-Q144 HydrophobicContact CD2-CB 3.97Å; F109-Q144 HydrophobicContact CE1-CB 4.47Å; F109-Q144 HydrophobicContact CE2-CB 4.25Å; F109-Q144 HydrophobicContact CG-CB 3.93Å; K110-Q144 PolarHBondContact O-NE2 2.93Å; N140-Q144 PolarHBondContact ND2-NE2 3.45Å; N140-Q144 WeakPolarHBondContact O-CG 3.2Å; N140-Q144 PolarHBondContact O-N 3.09Å; N140-Q144 PolarHBondContact O-NE2 3.28Å; G141-Q144 PolarHBondContact O-N 3.31Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.31Å; Q144-E147 PolarHBondContact O-N 2.79Å; Q144-N148 PolarHBondContact O-N 2.87Å; Q144-V149 HydrophobicContact CB-CB 3.92Å; Q144-V149 HydrophobicContact CB-CG1 4.47Å; Q144-V149 HydrophobicContact CB-CG2 3.84Å; Q144-V149 HydrophobicContact CG-CB 4.36Å; Q144-V149 HydrophobicContact CG-CG2 3.9Å; Q144-V149 WeakPolarHBondContact O-CB 3.42Å; Q144-V149 PolarHBondContact O-N 3.27Å
145L98.7Very high98.1Very high0 Ų025.2 Ų25.20%013%0.134CC..Hα-helixtrans-58.6-46.8169.4179.763.9000110.8L91 I101 L105 F109 G141 A142 Q143 N148 A152 W153 W156L91-L145 HydrophobicContact CD2-CD2 4.44Å; I101-L145 HydrophobicContact CD1-CD2 4.15Å; I101-L145 HydrophobicContact CG1-CD2 4.4Å; L105-L145 HydrophobicContact CD2-CD1 4.44Å; F109-L145 HydrophobicContact CE2-CB 4.18Å; F109-L145 HydrophobicContact CZ-CB 4.2Å; F109-L145 HydrophobicContact CZ-CD1 4.48Å; G141-L145 PolarHBondContact O-N 2.91Å; A142-L145 WeakPolarHBondContact O-CB 3.4Å; A142-L145 PolarHBondContact O-N 2.65Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; L145-N148 PolarHBondContact O-N 3Å; L145-A152 HydrophobicContact CD1-CB 3.94Å; L145-W153 VanDerWaalsContact O-CD1 3.29Å; L145-W153 PolarHBondContact O-NE1 3.36Å; L145-W156 HydrophobicContact CD1-CE3 4.02Å; L145-W156 HydrophobicContact CD1-CZ3 4.39Å; L145-W156 HydrophobicContact CD2-CZ3 4.16Å; L145-W156 HydrophobicContact CG-CE3 4.26Å; L145-W156 HydrophobicContact CG-CZ3 4.13Å
146Y98.7Very high98.2Very high7 Ų725.2 Ų25.23%0.02713%0.134CC..Hα-helixtrans-71.6-29.5178.7-56.6-39.2000113.9A142 Q143 N148 W153 P183 N203 L204 V207A142-Y146 HydrophobicContact CB-CE2 4.17Å; A142-Y146 WeakPolarHBondContact O-CD2 3.32Å; A142-Y146 VanDerWaalsContact O-CG 3.3Å; A142-Y146 PolarHBondContact O-N 3.43Å; A142-Y146 VanDerWaalsContact O-N 3.07Å; Q143-Y146 PolarHBondContact O-N 2.95Å; Y146-N148 PolarHBondContact O-N 3.49Å; Y146-W153 VanDerWaalsContact O-CZ2 3.23Å; Y146-W153 WeakPolarHBondContact O-CZ2 3.35Å; Y146-W153 PolarHBondContact O-NE1 3.28Å; Y146-P183 WeakPolarHBondContact CE2-O 3.39Å; Y146-P183 VanDerWaalsContact CZ-O 3.3Å; Y146-P183 VanDerWaalsContact OH-CD 3.3Å; Y146-P183 WeakPolarHBondContact OH-CD 3.48Å; Y146-P183 PolarHBondContact OH-O 3.23Å; Y146-N203 HydrophobicContact CD1-CB 4.43Å; Y146-N203 HydrophobicContact CD2-CB 3.52Å; Y146-N203 HydrophobicContact CE2-CB 4.06Å; Y146-N203 HydrophobicContact CG-CB 3.72Å; Y146-L204 HydrophobicContact CD1-CD2 4.37Å; Y146-L204 HydrophobicContact CE1-CD2 3.62Å; Y146-L204 HydrophobicContact CE2-CD2 4.37Å; Y146-V207 HydrophobicContact CD1-CG1 4.44Å
147E98.3Very high98.3Very high105 Ų10523.3 Ų23.349%0.49113%0.126SC..THydrogen-bonded Turntrans-858.9177.9-72.9172.8-179.100113.4Q143 Q144 V149 R193Q143-E147 HydrophobicContact CG-CG 4.37Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.31Å; Q143-E147 PolarHBondContact NE2-OE1 3.16Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 WeakPolarHBondContact O-CG 3.23Å; Q143-E147 PolarHBondContact O-N 3.35Å; Q144-E147 PolarHBondContact O-N 2.79Å; E147-V149 HydrophobicContact CB-CG2 4.22Å; E147-V149 PolarHBondContact O-N 2.74Å; E147-R193 IonicContact OE1-NH2 3.87Å; E147-R193 PolarHBondContact OE1-NH2 3.44Å
148N98.3Very high98.3Very high57 Ų5725.3 Ų25.331%0.30514%0.137SC..THydrogen-bonded Turntrans56.731.7-180-168.226.4000113.1Q144 L145 Y146 S150 G151 A152 W153Q144-N148 PolarHBondContact O-N 2.87Å; L145-N148 PolarHBondContact O-N 3Å; Y146-N148 PolarHBondContact O-N 3.49Å; N148-S150 PolarHBondContact O-N 2.93Å; N148-G151 PolarHBondContact O-N 2.86Å; N148-G151 VanDerWaalsContact O-N 3.14Å; N148-G151 VanDerWaalsContact OD1-CA 3.3Å; N148-G151 WeakPolarHBondContact OD1-CA 3.42Å; N148-A152 PolarHBondContact OD1-N 3.08Å; N148-A152 VanDerWaalsContact OD1-N 3.15Å; N148-W153 HydrophobicContact CB-CB 4.28Å; N148-W153 HydrophobicContact CB-CD2 3.87Å; N148-W153 HydrophobicContact CB-CG 3.66Å; N148-W153 VanDerWaalsContact OD1-CB 3.24Å; N148-W153 WeakPolarHBondContact OD1-CB 3.24Å; N148-W153 PolarHBondContact OD1-N 3.15Å
149V98.4Very high98.4Very high42 Ų4225.3 Ų25.326%0.25514%0.137SC..G310 helixtrans-60.5136.2177.6174.30000109.2F109 Q144 E147 G151 A152F109-V149 HydrophobicContact CD1-CB 4.35Å; F109-V149 HydrophobicContact CD1-CG1 4.14Å; F109-V149 HydrophobicContact CE1-CB 4.42Å; Q144-V149 HydrophobicContact CB-CB 3.92Å; Q144-V149 HydrophobicContact CB-CG1 4.47Å; Q144-V149 HydrophobicContact CB-CG2 3.84Å; Q144-V149 HydrophobicContact CG-CB 4.36Å; Q144-V149 HydrophobicContact CG-CG2 3.9Å; Q144-V149 WeakPolarHBondContact O-CB 3.42Å; Q144-V149 PolarHBondContact O-N 3.27Å; E147-V149 HydrophobicContact CB-CG2 4.22Å; E147-V149 PolarHBondContact O-N 2.74Å; V149-G151 PolarHBondContact O-N 3.12Å; V149-G151 VanDerWaalsContact O-N 3.08Å; V149-A152 WeakPolarHBondContact O-CB 3.45Å; V149-A152 PolarHBondContact O-N 2.89Å; V149-A152 VanDerWaalsContact O-N 3.09Å
150S97.2Very high98.5Very high59 Ų5925.2 Ų25.241%0.41314%0.137SC..G310 helixtrans55.725.4-178.3-52.30000113.9Q108 N148Q108-S150 PolarHBondContact O-OG 2.89Å; N148-S150 PolarHBondContact O-N 2.93Å
151G97.9Very high98.5Very high19 Ų1924.5 Ų24.520%0.19613%0.132CC..G310 helixtrans7525.2-179.800000113.9N148 V149 W153 N154 H155N148-G151 PolarHBondContact O-N 2.86Å; N148-G151 VanDerWaalsContact O-N 3.14Å; N148-G151 VanDerWaalsContact OD1-CA 3.3Å; N148-G151 WeakPolarHBondContact OD1-CA 3.42Å; V149-G151 PolarHBondContact O-N 3.12Å; V149-G151 VanDerWaalsContact O-N 3.08Å; G151-W153 PolarHBondContact O-N 3.44Å; G151-W153 VanDerWaalsContact O-N 3.12Å; G151-N154 WeakPolarHBondContact O-CA 3.5Å; G151-N154 WeakPolarHBondContact O-CB 3.12Å; G151-N154 PolarHBondContact O-N 2.82Å; G151-H155 PolarHBondContact O-N 3.18Å
152A98.6Very high98.5Very high0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-51.6-35.8-17800000114L105 F109 L145 N148 V149 H155 W156L105-A152 HydrophobicContact CD1-CB 4.21Å; L105-A152 HydrophobicContact CD2-CB 4.31Å; F109-A152 HydrophobicContact CE1-CB 4.1Å; F109-A152 HydrophobicContact CZ-CB 4.02Å; L145-A152 HydrophobicContact CD1-CB 3.94Å; N148-A152 PolarHBondContact OD1-N 3.08Å; N148-A152 VanDerWaalsContact OD1-N 3.15Å; V149-A152 WeakPolarHBondContact O-CB 3.45Å; V149-A152 PolarHBondContact O-N 2.89Å; V149-A152 VanDerWaalsContact O-N 3.09Å; A152-H155 PolarHBondContact O-N 2.96Å; A152-W156 WeakPolarHBondContact O-CB 3.3Å; A152-W156 PolarHBondContact O-N 3.16Å
153W98.7Very high98.5Very high47 Ų4725.9 Ų25.918%0.17814%0.139CC..Hα-helixtrans-66.4-37.7175.8-6813.3000112L145 Y146 N148 G151 H155 W156 G157 P206 V207 Y210L145-W153 VanDerWaalsContact O-CD1 3.29Å; L145-W153 PolarHBondContact O-NE1 3.36Å; Y146-W153 VanDerWaalsContact O-CZ2 3.23Å; Y146-W153 WeakPolarHBondContact O-CZ2 3.35Å; Y146-W153 PolarHBondContact O-NE1 3.28Å; N148-W153 HydrophobicContact CB-CB 4.28Å; N148-W153 HydrophobicContact CB-CD2 3.87Å; N148-W153 HydrophobicContact CB-CG 3.66Å; N148-W153 VanDerWaalsContact OD1-CB 3.24Å; N148-W153 WeakPolarHBondContact OD1-CB 3.24Å; N148-W153 PolarHBondContact OD1-N 3.15Å; G151-W153 PolarHBondContact O-N 3.44Å; G151-W153 VanDerWaalsContact O-N 3.12Å; W153-H155 VanDerWaalsContact C-N 3.34Å; W153-W156 PolarHBondContact O-N 3.15Å; W153-G157 PolarHBondContact O-N 2.92Å; W153-P206 HydrophobicContact CH2-CB 3.8Å; W153-P206 HydrophobicContact CZ2-CB 4.34Å; W153-V207 HydrophobicContact CD2-CB 4.3Å; W153-V207 HydrophobicContact CD2-CG2 3.83Å; W153-V207 HydrophobicContact CG-CG2 3.78Å; W153-V207 HydrophobicContact CZ2-CB 3.85Å; W153-V207 HydrophobicContact CZ2-CG2 4.26Å; W153-Y210 HydrophobicContact CB-CD1 3.83Å; W153-Y210 HydrophobicContact CB-CE1 3.85Å; W153-Y210 HydrophobicContact CE3-CD1 4.22Å; W153-Y210 HydrophobicContact CE3-CD2 4.13Å; W153-Y210 AromaticContact CE3-CG 3.79Å; W153-Y210 HydrophobicContact CE3-CG 3.79Å; W153-Y210 HydrophobicContact CZ3-CG 4.43Å; W153-Y210 VanDerWaalsContact O-CE1 3.28Å; W153-Y210 WeakPolarHBondContact O-CE1 3.38Å
154N98.6Very high98.5Very high73 Ų7325.7 Ų25.739%0.3914%0.139SC..Hα-helixtrans-62.6-45.8175.7-67.2-22.6000110.3G151 G157 D158 Y210G151-N154 WeakPolarHBondContact O-CA 3.5Å; G151-N154 WeakPolarHBondContact O-CB 3.12Å; G151-N154 PolarHBondContact O-N 2.82Å; N154-G157 CarbonylContact O-C 3.56Å; N154-G157 PolarHBondContact O-N 2.76Å; N154-D158 PolarHBondContact O-N 2.81Å; N154-Y210 PolarHBondContact OD1-OH 3.35Å
155H98.5Very high98.5Very high27 Ų2730.1 Ų30.113%0.12516%0.158CC..Hα-helixtrans-66-38.2179.2-69.1-38.6000113.6W50 W104 L105 G151 A152 W153 D158 F159W50-H155 HydrophobicContact CZ2-CB 3.89Å; W50-H155 WeakPolarHBondContact CZ2-O 3.42Å; W104-H155 HydrophobicContact CH2-CB 3.83Å; W104-H155 AromaticContact CH2-CG 3.67Å; W104-H155 AromaticContact CH2-ND1 3.96Å; W104-H155 HydrophobicContact CZ3-CB 4.41Å; W104-H155 AromaticContact CZ3-CD2 3.77Å; W104-H155 AromaticContact CZ3-CG 3.88Å; W104-H155 AromaticContact CZ3-NE2 4Å; L105-H155 HydrophobicContact CD2-CB 4.5Å; G151-H155 PolarHBondContact O-N 3.18Å; A152-H155 PolarHBondContact O-N 2.96Å; W153-H155 VanDerWaalsContact C-N 3.34Å; H155-D158 IonicContact ND1-OD2 3.83Å; H155-D158 WeakPolarHBondContact O-CB 3.37Å; H155-D158 PolarHBondContact O-N 3.11Å; H155-F159 PolarHBondContact O-N 3.39Å; H155-F159 VanDerWaalsContact O-N 3.16Å
156W98.7Very high98.5Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-69.5-39174.5-165.1-3.9000111.1W50 M86 L145 A152 W153 F159 W160 L178 I179 V207 Y208 L211W50-W156 HydrophobicContact CE3-CG 4.5Å; W50-W156 VanDerWaalsContact CH2-CA 3.41Å; W50-W156 HydrophobicContact CH2-CB 3.43Å; W50-W156 VanDerWaalsContact CH2-CB 3.43Å; W50-W156 AromaticContact CH2-CG 3.84Å; W50-W156 HydrophobicContact CH2-CG 3.84Å; W50-W156 VanDerWaalsContact CZ2-CA 3.48Å; W50-W156 HydrophobicContact CZ2-CB 4.06Å; W50-W156 HydrophobicContact CZ3-CB 3.87Å; W50-W156 AromaticContact CZ3-CD1 3.92Å; W50-W156 HydrophobicContact CZ3-CD2 4.17Å; W50-W156 AromaticContact CZ3-CG 3.73Å; W50-W156 HydrophobicContact CZ3-CG 3.73Å; M86-W156 HydrophobicContact CE-CZ2 3.94Å; L145-W156 HydrophobicContact CD1-CE3 4.02Å; L145-W156 HydrophobicContact CD1-CZ3 4.39Å; L145-W156 HydrophobicContact CD2-CZ3 4.16Å; L145-W156 HydrophobicContact CG-CE3 4.26Å; L145-W156 HydrophobicContact CG-CZ3 4.13Å; A152-W156 WeakPolarHBondContact O-CB 3.3Å; A152-W156 PolarHBondContact O-N 3.16Å; W153-W156 PolarHBondContact O-N 3.15Å; W156-F159 WeakPolarHBondContact O-CB 3.09Å; W156-F159 PolarHBondContact O-N 3.04Å; W156-W160 AromaticContact CD1-CD1 3.57Å; W156-W160 AromaticContact CD1-NE1 3.76Å; W156-W160 AromaticContact NE1-CD1 3.57Å; W156-W160 AromaticContact NE1-NE1 3.28Å; W156-W160 PolarHBondContact O-N 3.23Å; W156-W160 VanDerWaalsContact O-N 3.14Å; W156-L178 WeakPolarHBondContact CZ2-O 3.35Å; W156-L178 PolarHBondContact NE1-O 3.15Å; W156-I179 HydrophobicContact CH2-CB 4.16Å; W156-I179 HydrophobicContact CH2-CD1 3.87Å; W156-I179 HydrophobicContact CH2-CG2 3.91Å; W156-I179 HydrophobicContact CZ2-CB 3.67Å; W156-I179 HydrophobicContact CZ2-CD1 4Å; W156-I179 HydrophobicContact CZ2-CG1 4.41Å; W156-I179 HydrophobicContact CZ2-CG2 3.79Å; W156-V207 HydrophobicContact CE3-CG2 3.79Å; W156-V207 HydrophobicContact CH2-CG1 4.15Å; W156-V207 HydrophobicContact CZ3-CB 4.5Å; W156-V207 HydrophobicContact CZ3-CG1 3.87Å; W156-V207 HydrophobicContact CZ3-CG2 3.76Å; W156-Y208 HydrophobicContact CH2-CE1 4.24Å; W156-L211 HydrophobicContact CB-CD2 3.85Å; W156-L211 HydrophobicContact CD2-CD1 3.65Å; W156-L211 HydrophobicContact CD2-CD2 4.03Å; W156-L211 HydrophobicContact CD2-CG 4.41Å; W156-L211 HydrophobicContact CE3-CD1 4.18Å; W156-L211 HydrophobicContact CG-CD1 4.06Å; W156-L211 HydrophobicContact CG-CD2 3.65Å; W156-L211 HydrophobicContact CG-CG 4.48Å; W156-L211 HydrophobicContact CH2-CD1 4.09Å; W156-L211 HydrophobicContact CZ2-CD1 3.52Å; W156-L211 HydrophobicContact CZ3-CD1 4.4Å
157G98.7Very high98.5Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-60.8-42.9170.500000112.3W153 N154 F159 W160 E161W153-G157 PolarHBondContact O-N 2.92Å; N154-G157 CarbonylContact O-C 3.56Å; N154-G157 PolarHBondContact O-N 2.76Å; G157-F159 VanDerWaalsContact C-N 3.31Å; G157-F159 PolarHBondContact O-N 3.14Å; G157-W160 PolarHBondContact O-N 3.35Å; G157-E161 WeakPolarHBondContact O-CB 3.43Å; G157-E161 WeakPolarHBondContact O-CG 3.19Å; G157-E161 PolarHBondContact O-N 2.92Å
158D98.7Very high98.4Very high46 Ų4628.2 Ų28.225%0.24615%0.152CC..Hα-helixtrans-57.8-45.1176.3-65.5-23.2000111.1K54 N154 H155 E161 I162 R214K54-D158 IonicContact NZ-OD2 3.82Å; N154-D158 PolarHBondContact O-N 2.81Å; H155-D158 IonicContact ND1-OD2 3.83Å; H155-D158 WeakPolarHBondContact O-CB 3.37Å; H155-D158 PolarHBondContact O-N 3.11Å; D158-E161 PolarHBondContact O-N 3.46Å; D158-I162 VanDerWaalsContact O-CD1 3.32Å; D158-I162 WeakPolarHBondContact O-CD1 3.27Å; D158-I162 WeakPolarHBondContact O-CG1 3.38Å; D158-I162 PolarHBondContact O-N 3.4Å; D158-R214 IonicContact OD1-NH2 3.76Å; D158-R214 PolarHBondContact OD1-NH2 2.94Å
159F98.8Very high98.4Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-55-53.4175163.9-96000111.1I48 W50 V53 M86 H155 W156 G157 E161 I162 I163I48-F159 HydrophobicContact CG1-CZ 4.48Å; I48-F159 HydrophobicContact CG2-CZ 4.13Å; W50-F159 HydrophobicContact CB-CD2 3.95Å; W50-F159 HydrophobicContact CB-CE2 4.04Å; W50-F159 HydrophobicContact CB-CG 4.4Å; W50-F159 AromaticContact CD1-CD2 3.65Å; W50-F159 AromaticContact CD1-CG 3.88Å; W50-F159 HydrophobicContact CD2-CB 4.31Å; W50-F159 HydrophobicContact CD2-CG 4.42Å; W50-F159 HydrophobicContact CG-CB 4.17Å; W50-F159 AromaticContact CG-CD2 3.85Å; W50-F159 HydrophobicContact CG-CD2 3.85Å; W50-F159 HydrophobicContact CG-CE2 4.44Å; W50-F159 AromaticContact CG-CG 3.99Å; W50-F159 HydrophobicContact CG-CG 3.99Å; V53-F159 HydrophobicContact CB-CD2 3.8Å; V53-F159 HydrophobicContact CB-CE2 3.89Å; V53-F159 HydrophobicContact CG1-CD2 3.97Å; V53-F159 HydrophobicContact CG1-CE2 4.39Å; V53-F159 HydrophobicContact CG2-CD2 3.98Å; V53-F159 HydrophobicContact CG2-CE2 3.55Å; M86-F159 HydrophobicContact CB-CE1 3.72Å; M86-F159 HydrophobicContact CB-CZ 3.97Å; M86-F159 HydrophobicContact CG-CD1 4.07Å; M86-F159 HydrophobicContact CG-CE1 3.31Å; M86-F159 HydrophobicContact CG-CE2 4.41Å; M86-F159 HydrophobicContact CG-CZ 3.51Å; H155-F159 PolarHBondContact O-N 3.39Å; H155-F159 VanDerWaalsContact O-N 3.16Å; W156-F159 WeakPolarHBondContact O-CB 3.09Å; W156-F159 PolarHBondContact O-N 3.04Å; G157-F159 VanDerWaalsContact C-N 3.31Å; G157-F159 PolarHBondContact O-N 3.14Å; F159-E161 VanDerWaalsContact C-N 3.35Å; F159-E161 PolarHBondContact O-N 3.27Å; F159-I162 WeakPolarHBondContact O-CB 3.46Å; F159-I162 PolarHBondContact O-N 2.93Å; F159-I163 HydrophobicContact CE1-CG1 4.41Å; F159-I163 HydrophobicContact CE2-CG1 4.12Å; F159-I163 HydrophobicContact CZ-CG1 4.07Å; F159-I163 WeakPolarHBondContact O-CG1 3.26Å; F159-I163 PolarHBondContact O-N 3.07Å; F159-I163 VanDerWaalsContact O-N 3.09Å
160W98.8Very high98.3Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-68.7-31-178.6-83.8123000113.6M86 W156 G157 I163 A164 Y176 D177 L178 I215M86-W160 HydrophobicContact CB-CH2 4.14Å; M86-W160 HydrophobicContact CB-CZ2 3.55Å; M86-W160 HydrophobicContact CG-CZ2 4.47Å; W156-W160 AromaticContact CD1-CD1 3.57Å; W156-W160 AromaticContact CD1-NE1 3.76Å; W156-W160 AromaticContact NE1-CD1 3.57Å; W156-W160 AromaticContact NE1-NE1 3.28Å; W156-W160 PolarHBondContact O-N 3.23Å; W156-W160 VanDerWaalsContact O-N 3.14Å; G157-W160 PolarHBondContact O-N 3.35Å; W160-I163 HydrophobicContact CE3-CB 4.1Å; W160-I163 HydrophobicContact CE3-CG2 3.91Å; W160-I163 HydrophobicContact CZ3-CB 4.41Å; W160-I163 HydrophobicContact CZ3-CG2 3.81Å; W160-I163 PolarHBondContact O-N 3.31Å; W160-A164 VanDerWaalsContact O-CB 3.25Å; W160-A164 WeakPolarHBondContact O-CB 3.32Å; W160-A164 PolarHBondContact O-N 3.45Å; W160-Y176 HydrophobicContact CE3-CD1 4.36Å; W160-Y176 HydrophobicContact CE3-CG 4.11Å; W160-Y176 VanDerWaalsContact CZ3-CB 3.44Å; W160-Y176 AromaticContact CZ3-CD1 3.76Å; W160-Y176 HydrophobicContact CZ3-CD1 3.76Å; W160-Y176 AromaticContact CZ3-CG 3.72Å; W160-Y176 HydrophobicContact CZ3-CG 3.72Å; W160-D177 WeakPolarHBondContact CH2-O 3.39Å; W160-D177 WeakPolarHBondContact CZ2-O 3.22Å; W160-L178 VanDerWaalsContact CZ2-CA 3.47Å; W160-L178 PolarHBondContact NE1-O 3.16Å; W160-I215 HydrophobicContact CB-CD1 3.97Å; W160-I215 HydrophobicContact CB-CG1 3.64Å; W160-I215 HydrophobicContact CD2-CD1 4.03Å; W160-I215 HydrophobicContact CE3-CD1 4.27Å; W160-I215 HydrophobicContact CG-CD1 3.91Å; W160-I215 HydrophobicContact CG-CG1 4.15Å
161E98.7Very high98.2Very high12 Ų1237.8 Ų37.86%0.05619%0.194CC..Hα-helixtrans-66-41.5172.1-75.6-168.2169.800112.1G157 D158 F159 I163 A164 K165 R214 Q217 Y218G157-E161 WeakPolarHBondContact O-CB 3.43Å; G157-E161 WeakPolarHBondContact O-CG 3.19Å; G157-E161 PolarHBondContact O-N 2.92Å; D158-E161 PolarHBondContact O-N 3.46Å; F159-E161 VanDerWaalsContact C-N 3.35Å; F159-E161 PolarHBondContact O-N 3.27Å; E161-I163 VanDerWaalsContact C-N 3.33Å; E161-A164 PolarHBondContact O-N 3.18Å; E161-K165 VanDerWaalsContact O-CB 3.27Å; E161-K165 WeakPolarHBondContact O-CB 3.32Å; E161-K165 WeakPolarHBondContact O-CD 3.38Å; E161-K165 WeakPolarHBondContact O-CG 3.37Å; E161-K165 PolarHBondContact O-N 2.63Å; E161-K165 IonicContact OE2-NZ 3.04Å; E161-R214 VanDerWaalsContact CD-NH1 3.29Å; E161-R214 HydrophobicContact CG-CB 4Å; E161-R214 WeakPolarHBondContact OE1-CD 3.41Å; E161-R214 IonicContact OE1-CZ 3.35Å; E161-R214 IonicContact OE1-NE 3.7Å; E161-R214 PolarHBondContact OE1-NE 2.81Å; E161-R214 VanDerWaalsContact OE1-NE 3.1Å; E161-R214 IonicContact OE1-NH1 3.71Å; E161-R214 PolarHBondContact OE1-NH1 3.43Å; E161-R214 IonicContact OE1-NH2 3.77Å; E161-R214 IonicContact OE2-CZ 2.62Å; E161-R214 IonicContact OE2-NH1 3.12Å; E161-R214 IonicContact OE2-NH2 3.66Å; E161-R214 PolarHBondContact OE2-NH2 2.97Å; E161-Q217 PolarHBondContact OE1-OE1 2.87Å; E161-Y218 HydrophobicContact CB-CD2 4.19Å; E161-Y218 HydrophobicContact CB-CE2 4.05Å; E161-Y218 VanDerWaalsContact CD-CE2 3.44Å; E161-Y218 HydrophobicContact CG-CD2 3.98Å; E161-Y218 HydrophobicContact CG-CE2 3.67Å
162I98.8Very high98.1Very high28 Ų2837.3 Ų37.314%0.14419%0.187CC..Hα-helixtrans-60-47.9176.2-70158.7000109.6V53 V60 L65 D158 F159 K165 H166V53-I162 HydrophobicContact CG1-CB 4.27Å; V53-I162 HydrophobicContact CG1-CD1 4.26Å; V53-I162 HydrophobicContact CG1-CG2 3.76Å; V60-I162 HydrophobicContact CB-CD1 4.46Å; V60-I162 HydrophobicContact CG1-CD1 4.1Å; V60-I162 HydrophobicContact CG1-CG1 4.47Å; V60-I162 HydrophobicContact CG1-CG2 3.92Å; V60-I162 HydrophobicContact CG2-CD1 3.55Å; V60-I162 HydrophobicContact CG2-CG1 4.3Å; L65-I162 HydrophobicContact CD1-CG2 3.6Å; L65-I162 HydrophobicContact CD2-CG2 4.19Å; D158-I162 VanDerWaalsContact O-CD1 3.32Å; D158-I162 WeakPolarHBondContact O-CD1 3.27Å; D158-I162 WeakPolarHBondContact O-CG1 3.38Å; D158-I162 PolarHBondContact O-N 3.4Å; F159-I162 WeakPolarHBondContact O-CB 3.46Å; F159-I162 PolarHBondContact O-N 2.93Å; I162-K165 PolarHBondContact O-N 2.82Å; I162-H166 VanDerWaalsContact O-CB 3.3Å; I162-H166 WeakPolarHBondContact O-CB 3.24Å; I162-H166 PolarHBondContact O-N 3.27Å
163I98.8Very high98.1Very high0 Ų037.7 Ų37.70%019%0.19CC..Hα-helixtrans-61.6-48.6177.7-67.8-56.2000111.9I48 V53 L65 L84 F159 W160 E161 K165 H166 Y167 Y176I48-I163 HydrophobicContact CD1-CD1 4.02Å; I48-I163 HydrophobicContact CG1-CD1 3.59Å; I48-I163 HydrophobicContact CG1-CG1 4.4Å; V53-I163 HydrophobicContact CG2-CD1 3.84Å; L65-I163 HydrophobicContact CD2-CD1 3.99Å; L84-I163 HydrophobicContact CD1-CG2 3.91Å; F159-I163 HydrophobicContact CE1-CG1 4.41Å; F159-I163 HydrophobicContact CE2-CG1 4.12Å; F159-I163 HydrophobicContact CZ-CG1 4.07Å; F159-I163 WeakPolarHBondContact O-CG1 3.26Å; F159-I163 PolarHBondContact O-N 3.07Å; F159-I163 VanDerWaalsContact O-N 3.09Å; W160-I163 HydrophobicContact CE3-CB 4.1Å; W160-I163 HydrophobicContact CE3-CG2 3.91Å; W160-I163 HydrophobicContact CZ3-CB 4.41Å; W160-I163 HydrophobicContact CZ3-CG2 3.81Å; W160-I163 PolarHBondContact O-N 3.31Å; E161-I163 VanDerWaalsContact C-N 3.33Å; I163-K165 PolarHBondContact O-N 3.41Å; I163-H166 PolarHBondContact O-N 3.49Å; I163-Y167 HydrophobicContact CD1-CD2 4.08Å; I163-Y167 HydrophobicContact CD1-CE2 3.71Å; I163-Y167 HydrophobicContact CG2-CD2 4.12Å; I163-Y167 PolarHBondContact O-N 3.25Å; I163-Y176 HydrophobicContact CG2-CD1 4.02Å; I163-Y176 HydrophobicContact CG2-CE1 3.81Å
164A98.8Very high98.1Very high2 Ų236.5 Ų36.52%0.01719%0.186CC..Hα-helixtrans-63.4-40.5179.500000112.6W160 E161 G168 Y176 I215 D219W160-A164 VanDerWaalsContact O-CB 3.25Å; W160-A164 WeakPolarHBondContact O-CB 3.32Å; W160-A164 PolarHBondContact O-N 3.45Å; E161-A164 PolarHBondContact O-N 3.18Å; A164-G168 WeakPolarHBondContact O-CA 3.42Å; A164-G168 PolarHBondContact O-N 3.41Å; A164-Y176 WeakPolarHBondContact CA-OH 3.41Å; A164-Y176 HydrophobicContact CB-CE2 4.28Å; A164-I215 HydrophobicContact CB-CG2 4.17Å; A164-D219 HydrophobicContact CB-CB 4.12Å
165K98.3Very high98.1Very high108 Ų10833 Ų3347%0.4717%0.168SC..Hα-helixtrans-62-43.2175.4-78.1166.8-179.4162.70112.3E161 I162 I163 Y218E161-K165 VanDerWaalsContact O-CB 3.27Å; E161-K165 WeakPolarHBondContact O-CB 3.32Å; E161-K165 WeakPolarHBondContact O-CD 3.38Å; E161-K165 WeakPolarHBondContact O-CG 3.37Å; E161-K165 PolarHBondContact O-N 2.63Å; E161-K165 IonicContact OE2-NZ 3.04Å; I162-K165 PolarHBondContact O-N 2.82Å; I163-K165 PolarHBondContact O-N 3.41Å; K165-Y218 HydrophobicContact CD-CD1 4.08Å; K165-Y218 HydrophobicContact CD-CE1 4.09Å; K165-Y218 HydrophobicContact CD-CG 4.3Å; K165-Y218 VanDerWaalsContact CE-CE2 3.41Å; K165-Y218 VanDerWaalsContact CE-OH 3.31Å; K165-Y218 WeakPolarHBondContact CE-OH 3.34Å; K165-Y218 HydrophobicContact CG-CD1 3.44Å; K165-Y218 VanDerWaalsContact CG-CD1 3.44Å; K165-Y218 HydrophobicContact CG-CD2 4.08Å; K165-Y218 HydrophobicContact CG-CE1 3.98Å; K165-Y218 HydrophobicContact CG-CG 3.5Å; K165-Y218 VanDerWaalsContact CG-CG 3.5Å; K165-Y218 VanDerWaalsContact NZ-CZ 3.31Å; K165-Y218 PolarHBondContact NZ-OH 2.99Å; K165-Y218 VanDerWaalsContact NZ-OH 3.09Å
166H98.3Very high98.1Very high59 Ų5931.7 Ų31.727%0.27316%0.162SC..Hα-helixtrans-83.3-41.3-170.3-162.458000111.8E69 I162 I163E69-H166 IonicContact OE2-CE1 2.87Å; E69-H166 IonicContact OE2-NE2 2.69Å; I162-H166 VanDerWaalsContact O-CB 3.3Å; I162-H166 WeakPolarHBondContact O-CB 3.24Å; I162-H166 PolarHBondContact O-N 3.27Å; I163-H166 PolarHBondContact O-N 3.49Å
167Y98.4Very high98.1Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-110.3-11.3-173.8-54.1-46.6000115.4I48 L65 M68 E69 I72 L84 I163 K169 K170I48-Y167 HydrophobicContact CD1-CE2 4.38Å; L65-Y167 VanDerWaalsContact CA-OH 3.27Å; L65-Y167 WeakPolarHBondContact CA-OH 3.43Å; L65-Y167 HydrophobicContact CD2-CE2 4.35Å; L65-Y167 PolarHBondContact O-OH 3.34Å; M68-Y167 WeakPolarHBondContact CB-OH 3.5Å; E69-Y167 HydrophobicContact CB-CE1 3.81Å; E69-Y167 HydrophobicContact CG-CE1 4.14Å; I72-Y167 HydrophobicContact CD1-CD1 3.86Å; I72-Y167 HydrophobicContact CD1-CD2 4.11Å; I72-Y167 HydrophobicContact CD1-CE1 3.86Å; I72-Y167 HydrophobicContact CD1-CE2 4.11Å; I72-Y167 HydrophobicContact CD1-CG 4Å; L84-Y167 HydrophobicContact CD1-CD2 3.45Å; L84-Y167 VanDerWaalsContact CD1-CD2 3.45Å; L84-Y167 HydrophobicContact CD1-CE2 4.19Å; L84-Y167 HydrophobicContact CD1-CG 4.14Å; I163-Y167 HydrophobicContact CD1-CD2 4.08Å; I163-Y167 HydrophobicContact CD1-CE2 3.71Å; I163-Y167 HydrophobicContact CG2-CD2 4.12Å; I163-Y167 PolarHBondContact O-N 3.25Å; Y167-K169 PolarHBondContact O-N 3.38Å; Y167-K170 VanDerWaalsContact O-CB 3.32Å; Y167-K170 WeakPolarHBondContact O-CB 3.25Å; Y167-K170 WeakPolarHBondContact O-CG 3.34Å; Y167-K170 PolarHBondContact O-N 2.96Å
168G97Very high98.1Very high13 Ų1331.7 Ų31.713%0.13416%0.162CC..THydrogen-bonded Turntrans-65.7-4.1-172.500000116.4A164 Y176 D219A164-G168 WeakPolarHBondContact O-CA 3.42Å; A164-G168 PolarHBondContact O-N 3.41Å; G168-Y176 VanDerWaalsContact CA-OH 3.25Å; G168-Y176 WeakPolarHBondContact CA-OH 3.24Å; G168-D219 WeakPolarHBondContact CA-OD2 3.28Å
169K96.7Very high98.1Very high211 Ų21129.5 Ų29.592%0.91715%0.15SC*.THydrogen-bonded Turntrans-103.3-5.6172.4-64.7-176.6-178.4176.90113.7Y167Y167-K169 PolarHBondContact O-N 3.38Å
170K97.6Very high98.1Very high41 Ų4129.5 Ų29.518%0.17815%0.15CC..  trans-73.4127.1178.5-62.7-78.8-175.8176.50108.9E69 I72 D73 Y167 N172 V173E69-K170 WeakPolarHBondContact OE1-CE 3.33Å; E69-K170 IonicContact OE1-NZ 3.67Å; E69-K170 PolarHBondContact OE1-NZ 3.25Å; I72-K170 HydrophobicContact CG2-CB 4.43Å; I72-K170 HydrophobicContact CG2-CG 4.4Å; D73-K170 VanDerWaalsContact OD1-CD 3.3Å; D73-K170 WeakPolarHBondContact OD1-CD 3.37Å; D73-K170 WeakPolarHBondContact OD1-CE 3.12Å; D73-K170 IonicContact OD1-NZ 3.05Å; D73-K170 PolarHBondContact OD1-NZ 3.02Å; D73-K170 IonicContact OD2-NZ 2.63Å; D73-K170 PolarHBondContact OD2-NZ 3.32Å; Y167-K170 VanDerWaalsContact O-CB 3.32Å; Y167-K170 WeakPolarHBondContact O-CB 3.25Å; Y167-K170 WeakPolarHBondContact O-CG 3.34Å; Y167-K170 PolarHBondContact O-N 2.96Å; K170-N172 VanDerWaalsContact C-N 3.28Å; K170-N172 PolarHBondContact O-N 3Å; K170-V173 HydrophobicContact CB-CB 4.28Å; K170-V173 HydrophobicContact CB-CG2 3.62Å; K170-V173 HydrophobicContact CG-CG2 4.35Å; K170-V173 PolarHBondContact O-N 3.39Å
171S94.2Very high98Very high108 Ų10830.7 Ų30.776%0.75516%0.155SC*.THydrogen-bonded Turntrans-69.6-23.7-172.653.80000114.1
172N97.1Very high98Very high8 Ų830.1 Ų30.14%0.04315%0.153CC..THydrogen-bonded Turntrans-95.3-4.8179.774.3-45000113.3I72 A76 I80 Y81 V82 K170 L174I72-N172 WeakPolarHBondContact CG2-OD1 3.42Å; I72-N172 PolarHBondContact O-ND2 3.39Å; A76-N172 HydrophobicContact CB-CB 3.88Å; A76-N172 VanDerWaalsContact CB-CG 3.42Å; A76-N172 PolarHBondContact N-ND2 3.35Å; I80-N172 PolarHBondContact O-ND2 3.13Å; Y81-N172 CarbonylContact C-O 3.57Å; Y81-N172 VanDerWaalsContact CA-O 3.23Å; Y81-N172 WeakPolarHBondContact CA-O 3.34Å; V82-N172 PolarHBondContact N-O 3.42Å; K170-N172 VanDerWaalsContact C-N 3.28Å; K170-N172 PolarHBondContact O-N 3Å; N172-L174 PolarHBondContact O-N 3.45Å
173V98.5Very high97.9Very high9 Ų929 Ų296%0.05515%0.147CC..EExtended strand (participates in β ladder)trans-73.3103170.8174.40000108I72 V82 L84 K170 Y176I72-V173 HydrophobicContact CG2-CG2 3.92Å; V82-V173 HydrophobicContact CG2-CB 4.24Å; V82-V173 HydrophobicContact CG2-CG2 3.66Å; L84-V173 HydrophobicContact CD1-CG1 4.3Å; L84-V173 HydrophobicContact CG-CG1 4.4Å; K170-V173 HydrophobicContact CB-CB 4.28Å; K170-V173 HydrophobicContact CB-CG2 3.62Å; K170-V173 HydrophobicContact CG-CG2 4.35Å; K170-V173 PolarHBondContact O-N 3.39Å; V173-Y176 HydrophobicContact CG1-CE1 3.87Å
174L97.7Very high97.7Very high21 Ų2129.4 Ų29.411%0.1115%0.15CC..EExtended strand (participates in β ladder)trans-71.2-39.2-178.7-176.459.7000111F10 V43 Y81 V82 I83 N172 L223 F225 F315F10-L174 HydrophobicContact CD1-CD2 4.2Å; F10-L174 HydrophobicContact CD2-CD2 4.18Å; F10-L174 HydrophobicContact CE1-CD1 4.3Å; F10-L174 HydrophobicContact CE1-CD2 3.98Å; F10-L174 HydrophobicContact CE2-CD1 4.19Å; F10-L174 HydrophobicContact CE2-CD2 3.96Å; F10-L174 HydrophobicContact CG-CD2 4.29Å; F10-L174 HydrophobicContact CZ-CD1 3.7Å; F10-L174 HydrophobicContact CZ-CD2 3.85Å; F10-L174 HydrophobicContact CZ-CG 4.45Å; V43-L174 HydrophobicContact CG2-CD2 4.32Å; Y81-L174 HydrophobicContact CD1-CB 4.24Å; Y81-L174 HydrophobicContact CD1-CD1 4.35Å; V82-L174 WeakPolarHBondContact O-CB 3.38Å; V82-L174 PolarHBondContact O-N 2.79Å; I83-L174 HydrophobicContact CD1-CD2 4.35Å; I83-L174 HydrophobicContact CG1-CB 4.35Å; I83-L174 HydrophobicContact CG1-CD2 4.01Å; N172-L174 PolarHBondContact O-N 3.45Å; L174-L223 HydrophobicContact CD1-CD1 3.76Å; L174-L223 HydrophobicContact CG-CD1 4.02Å; L174-L223 VanDerWaalsContact O-CB 3.28Å; L174-L223 WeakPolarHBondContact O-CB 3.22Å; L174-L223 WeakPolarHBondContact O-CG 3.42Å; L174-L223 PolarHBondContact O-N 3.22Å; L174-F225 HydrophobicContact CD2-CZ 4.04Å; L174-F225 HydrophobicContact CG-CE2 4.28Å; L174-F225 HydrophobicContact CG-CZ 4.26Å; L174-F315 HydrophobicContact CD2-CE2 4.39Å
175G98.6Very high97.6Very high0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans175.5-172.6-178.200000115.2L84 L223L84-G175 PolarHBondContact N-O 3.06Å; G175-L223 CarbonylContact C-O 3.59Å; G175-L223 WeakPolarHBondContact CA-O 3.47Å
176Y98.9Very high97.6Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-121.5116.6-174.4-56.3-42.4000109.8L84 W160 I163 A164 G168 V173 I215 D219 L223 I224 F225L84-Y176 HydrophobicContact CB-CD1 4.24Å; L84-Y176 HydrophobicContact CD1-CD1 4.35Å; L84-Y176 HydrophobicContact CD1-CE1 4.12Å; W160-Y176 HydrophobicContact CE3-CD1 4.36Å; W160-Y176 HydrophobicContact CE3-CG 4.11Å; W160-Y176 VanDerWaalsContact CZ3-CB 3.44Å; W160-Y176 AromaticContact CZ3-CD1 3.76Å; W160-Y176 HydrophobicContact CZ3-CD1 3.76Å; W160-Y176 AromaticContact CZ3-CG 3.72Å; W160-Y176 HydrophobicContact CZ3-CG 3.72Å; I163-Y176 HydrophobicContact CG2-CD1 4.02Å; I163-Y176 HydrophobicContact CG2-CE1 3.81Å; A164-Y176 WeakPolarHBondContact CA-OH 3.41Å; A164-Y176 HydrophobicContact CB-CE2 4.28Å; G168-Y176 VanDerWaalsContact CA-OH 3.25Å; G168-Y176 WeakPolarHBondContact CA-OH 3.24Å; V173-Y176 HydrophobicContact CG1-CE1 3.87Å; Y176-I215 HydrophobicContact CD2-CD1 4.24Å; Y176-I215 HydrophobicContact CD2-CG2 3.7Å; Y176-I215 HydrophobicContact CE2-CG2 3.67Å; Y176-D219 HydrophobicContact CE2-CB 4.28Å; Y176-D219 PolarHBondContact OH-OD2 3.14Å; Y176-L223 PolarHBondContact N-O 3.29Å; Y176-I224 HydrophobicContact CD2-CD1 4.15Å; Y176-F225 WeakPolarHBondContact O-CB 3.2Å; Y176-F225 PolarHBondContact O-N 3.22Å
177D98.9Very high97.6Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-87.9106.1172.2-153.7-10.3000109.8R45 I83 L84 D85 M86 W160 I179 F225 S266R45-D177 IonicContact CZ-OD2 3.4Å; R45-D177 IonicContact NE-OD2 2.64Å; R45-D177 PolarHBondContact NE-OD2 2.81Å; R45-D177 IonicContact NH2-OD2 3.72Å; R45-D177 PolarHBondContact NH2-OD2 2.97Å; I83-D177 HydrophobicContact CG2-CB 4.1Å; L84-D177 PolarHBondContact O-N 3.13Å; D85-D177 HydrophobicContact CB-CB 4.07Å; M86-D177 PolarHBondContact N-O 3.32Å; M86-D177 VanDerWaalsContact N-O 3.16Å; W160-D177 WeakPolarHBondContact CH2-O 3.39Å; W160-D177 WeakPolarHBondContact CZ2-O 3.22Å; D177-I179 PolarHBondContact O-N 3.48Å; D177-I179 VanDerWaalsContact O-N 3.15Å; D177-F225 HydrophobicContact CB-CB 3.84Å; D177-S266 PolarHBondContact OD2-OG 2.9Å
178L98.9Very high97.5Very high0 Ų027.5 Ų27.50%014%0.139CC..  trans-58.4-34.9-161.3-70179.3000113.5W156 W160 Y208 L211 V212 I215 I224 F225W156-L178 WeakPolarHBondContact CZ2-O 3.35Å; W156-L178 PolarHBondContact NE1-O 3.15Å; W160-L178 VanDerWaalsContact CZ2-CA 3.47Å; W160-L178 PolarHBondContact NE1-O 3.16Å; L178-Y208 HydrophobicContact CB-CD1 4.35Å; L178-Y208 HydrophobicContact CB-CE1 4.29Å; L178-Y208 HydrophobicContact CD1-CD1 3.85Å; L178-Y208 HydrophobicContact CD1-CD2 4.15Å; L178-Y208 HydrophobicContact CD1-CE1 4.49Å; L178-Y208 HydrophobicContact CD1-CG 3.68Å; L178-L211 HydrophobicContact CD2-CB 4.21Å; L178-L211 HydrophobicContact CD2-CD1 4.46Å; L178-V212 HydrophobicContact CD1-CG2 4.27Å; L178-I215 HydrophobicContact CD2-CD1 3.66Å; L178-I224 HydrophobicContact CD1-CG2 3.74Å; L178-I224 HydrophobicContact CD2-CG2 4.22Å; L178-I224 HydrophobicContact CG-CG2 3.89Å; L178-F225 WeakPolarHBondContact CG-O 3.45Å; L178-F225 PolarHBondContact N-O 3.02Å
179I98.8Very high97.5Very high0 Ų030.3 Ų30.30%016%0.157CC..  trans-168.4132.5174.2179.8163.8000109.6M86 Q88 W156 D177 P182 Y208M86-I179 HydrophobicContact CE-CB 3.59Å; M86-I179 HydrophobicContact CE-CD1 3.78Å; M86-I179 HydrophobicContact CE-CG1 3.56Å; Q88-I179 HydrophobicContact CG-CD1 4.12Å; Q88-I179 HydrophobicContact CG-CG1 3.96Å; W156-I179 HydrophobicContact CH2-CB 4.16Å; W156-I179 HydrophobicContact CH2-CD1 3.87Å; W156-I179 HydrophobicContact CH2-CG2 3.91Å; W156-I179 HydrophobicContact CZ2-CB 3.67Å; W156-I179 HydrophobicContact CZ2-CD1 4Å; W156-I179 HydrophobicContact CZ2-CG1 4.41Å; W156-I179 HydrophobicContact CZ2-CG2 3.79Å; D177-I179 PolarHBondContact O-N 3.48Å; D177-I179 VanDerWaalsContact O-N 3.15Å; I179-P182 HydrophobicContact CG2-CB 3.97Å; I179-P182 HydrophobicContact CG2-CG 4.41Å; I179-Y208 HydrophobicContact CG2-CE1 3.65Å; I179-Y208 WeakPolarHBondContact CG2-OH 3.11Å
180N98.4Very high97.5Very high0 Ų022.1 Ų22.10%012%0.123CC..SBendtrans-67.8132.4169.7-177.175.4000111.5R45 M86 H87 Q88 H268R45-N180 PolarHBondContact NH1-OD1 2.78Å; R45-N180 PolarHBondContact NH2-OD1 3.32Å; M86-N180 PolarHBondContact O-N 3.35Å; M86-N180 VanDerWaalsContact O-N 3.1Å; H87-N180 HydrophobicContact CB-CB 4.38Å; H87-N180 PolarHBondContact CE1-ND2 2.88Å; H87-N180 PolarHBondContact CE1-OD1 2.94Å; H87-N180 VanDerWaalsContact ND1-CG 3.31Å; H87-N180 PolarHBondContact ND1-OD1 3.46Å; Q88-N180 PolarHBondContact NE2-O 2.86Å; Q88-N180 PolarHBondContact O-ND2 2.81Å; N180-H268 PolarHBondContact OD1-CE1 2.88Å; N180-H268 VanDerWaalsContact OD1-CE1 3.31Å
181E97.4Very high97.5Very high24 Ų2424.8 Ų24.811%0.11215%0.145CC..SBendtrans43.361.4169.3-62.3-155.3147.400114.4Q88 Y133 P183 E227 T230 H268Q88-E181 PolarHBondContact NE2-O 2.92Å; Y133-E181 PolarHBondContact OH-O 3.24Å; E181-P183 WeakPolarHBondContact O-CD 3.24Å; E181-E227 PolarHBondContact N-OE2 3.35Å; E181-T230 WeakPolarHBondContact CB-OG1 3.44Å; E181-T230 HydrophobicContact CG-CG2 4.33Å; E181-T230 WeakPolarHBondContact OE1-CG2 3.5Å; E181-H268 WeakPolarHBondContact CG-ND1 3.22Å; E181-H268 IonicContact OE1-CE1 2.7Å; E181-H268 IonicContact OE1-ND1 3.73Å; E181-H268 PolarHBondContact OE1-ND1 3.49Å
182P97.8Very high97.6Very high1 Ų122.3 Ų22.31%0.00612%0.122CC..  trans-61.2126.5-173.624.7-35.1000111.4I179 L204 Y208 E227 P228I179-P182 HydrophobicContact CG2-CB 3.97Å; I179-P182 HydrophobicContact CG2-CG 4.41Å; P182-L204 HydrophobicContact CB-CD1 3.95Å; P182-L204 HydrophobicContact CB-CD2 3.67Å; P182-L204 HydrophobicContact CB-CG 4.49Å; P182-L204 HydrophobicContact CG-CD1 3.67Å; P182-L204 HydrophobicContact CG-CD2 4.32Å; P182-Y208 WeakPolarHBondContact CG-OH 3.49Å; P182-E227 HydrophobicContact CG-CB 4.16Å; P182-P228 WeakPolarHBondContact CD-O 3.36Å; P182-P228 WeakPolarHBondContact CG-O 3.49Å
183P96.2Very high97.5Very high3 Ų323.4 Ų23.42%0.01913%0.126CC..  trans-66153.8177.821.5-30.4000112.2L91 Y133 A142 Y146 E181 G185L91-P183 HydrophobicContact CD2-CG 3.93Å; Y133-P183 HydrophobicContact CD1-CB 3.62Å; Y133-P183 HydrophobicContact CD1-CG 4.2Å; Y133-P183 HydrophobicContact CE1-CB 3.87Å; Y133-P183 HydrophobicContact CE1-CG 4Å; Y133-P183 HydrophobicContact CG-CB 4.21Å; A142-P183 HydrophobicContact CB-CB 3.97Å; A142-P183 HydrophobicContact CB-CG 3.55Å; Y146-P183 WeakPolarHBondContact CE2-O 3.39Å; Y146-P183 VanDerWaalsContact CZ-O 3.3Å; Y146-P183 VanDerWaalsContact OH-CD 3.3Å; Y146-P183 WeakPolarHBondContact OH-CD 3.48Å; Y146-P183 PolarHBondContact OH-O 3.23Å; E181-P183 WeakPolarHBondContact O-CD 3.24Å; P183-G185 PolarHBondContact O-N 2.68Å
184P95.5Very high97.4Very high10 Ų1024.2 Ų24.27%0.06514%0.137CC..  trans-66-22.4-179.222.7-31.6000114.7F187 R193 A199 N203 V229 Y231P184-F187 HydrophobicContact CG-CD1 4.38Å; P184-R193 VanDerWaalsContact CB-O 3.22Å; P184-R193 WeakPolarHBondContact CB-O 3.36Å; P184-A199 HydrophobicContact CB-CB 4.24Å; P184-A199 WeakPolarHBondContact O-CB 3.46Å; P184-N203 PolarHBondContact O-ND2 3.18Å; P184-V229 HydrophobicContact CB-CG1 4.16Å; P184-V229 HydrophobicContact CB-CG2 4.4Å; P184-Y231 WeakPolarHBondContact CB-OH 3.24Å; P184-Y231 HydrophobicContact CG-CE1 4.34Å
185G97.3Very high97.4Very high0 Ų027.3 Ų27.30%015%0.149CC..  trans97.4-166-171.300000112.7T139 P183 F187T139-G185 WeakPolarHBondContact CB-O 3.14Å; T139-G185 CarbonylContact O-C 3.59Å; P183-G185 PolarHBondContact O-N 2.68Å; G185-F187 PolarHBondContact O-N 2.88Å
186N97.9Very high97.3Very high3 Ų327.5 Ų27.52%0.01615%0.15CC..  trans-83.287.5-170.3-170.4-26.7000112T139 N140 Q143 Y188 S189 N190 R193T139-N186 WeakPolarHBondContact O-CB 3.46Å; T139-N186 PolarHBondContact O-N 2.95Å; N140-N186 PolarHBondContact OD1-ND2 3.03Å; Q143-N186 HydrophobicContact CB-CB 3.61Å; Q143-N186 HydrophobicContact CG-CB 4.06Å; N186-Y188 VanDerWaalsContact C-N 3.3Å; N186-Y188 PolarHBondContact O-N 2.76Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.46Å; N186-Y188 PolarHBondContact OD1-N 3.24Å; N186-Y188 VanDerWaalsContact OD1-N 3.09Å; N186-S189 VanDerWaalsContact CG-OG 3.29Å; N186-S189 PolarHBondContact O-N 3.05Å; N186-S189 PolarHBondContact O-OG 3.48Å; N186-S189 PolarHBondContact OD1-N 3.24Å; N186-S189 PolarHBondContact OD1-OG 3.43Å; N186-N190 PolarHBondContact O-N 3.49Å; N186-R193 VanDerWaalsContact O-CD 3.32Å; N186-R193 WeakPolarHBondContact O-CD 3.38Å; N186-R193 PolarHBondContact O-NH1 3.04Å
187F97.4Very high97.2Very high45 Ų4527.5 Ų27.520%0.19715%0.15CC..THydrogen-bonded Turntrans-73.8-15.7176.259.4-101.3000114.1L134 T139 P184 G185 N190 P191 R193L134-F187 HydrophobicContact CD2-CE1 4.45Å; L134-F187 HydrophobicContact CD2-CZ 4.21Å; T139-F187 HydrophobicContact CG2-CD1 4.08Å; T139-F187 HydrophobicContact CG2-CE1 3.49Å; T139-F187 VanDerWaalsContact CG2-CE1 3.49Å; T139-F187 HydrophobicContact CG2-CZ 4.09Å; P184-F187 HydrophobicContact CG-CD1 4.38Å; G185-F187 PolarHBondContact O-N 2.88Å; F187-N190 WeakPolarHBondContact CA-O 3.27Å; F187-N190 CarbonylContact O-C 3.47Å; F187-N190 VanDerWaalsContact O-C 3.25Å; F187-P191 VanDerWaalsContact O-CA 3.29Å; F187-P191 WeakPolarHBondContact O-CA 3.46Å; F187-R193 HydrophobicContact CB-CB 4.38Å
188Y97.3Very high97.1Very high81 Ų8129.4 Ų29.432%0.31816%0.158SC..THydrogen-bonded Turntrans-68.3-37.9172-65.6-76.2000112.3W120 P121 L134 Y136 N186W120-Y188 AromaticContact CH2-CD1 3.77Å; W120-Y188 HydrophobicContact CH2-CD1 3.77Å; W120-Y188 AromaticContact CH2-CE1 3.54Å; W120-Y188 HydrophobicContact CH2-CE1 3.54Å; W120-Y188 AromaticContact CZ3-CD1 3.78Å; W120-Y188 HydrophobicContact CZ3-CD1 3.78Å; W120-Y188 HydrophobicContact CZ3-CD2 4.27Å; W120-Y188 AromaticContact CZ3-CE1 3.42Å; W120-Y188 HydrophobicContact CZ3-CE1 3.42Å; W120-Y188 VanDerWaalsContact CZ3-CE1 3.42Å; W120-Y188 AromaticContact CZ3-CE2 3.95Å; W120-Y188 HydrophobicContact CZ3-CE2 3.95Å; W120-Y188 HydrophobicContact CZ3-CG 4.19Å; W120-Y188 AromaticContact CZ3-CZ 3.51Å; P121-Y188 WeakPolarHBondContact CD-OH 3.45Å; P121-Y188 WeakPolarHBondContact CG-OH 3.15Å; L134-Y188 PolarHBondContact O-OH 3.32Å; Y136-Y188 HydrophobicContact CD2-CD1 4.36Å; Y136-Y188 AromaticContact CD2-CD2 3.61Å; Y136-Y188 HydrophobicContact CD2-CD2 3.61Å; Y136-Y188 HydrophobicContact CD2-CE2 4.38Å; Y136-Y188 AromaticContact CD2-CG 3.6Å; Y136-Y188 HydrophobicContact CD2-CG 3.6Å; Y136-Y188 HydrophobicContact CE2-CD2 4.37Å; Y136-Y188 HydrophobicContact CE2-CG 4.08Å; Y136-Y188 HydrophobicContact CG-CD2 4.16Å; N186-Y188 VanDerWaalsContact C-N 3.3Å; N186-Y188 PolarHBondContact O-N 2.76Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.46Å; N186-Y188 PolarHBondContact OD1-N 3.24Å; N186-Y188 VanDerWaalsContact OD1-N 3.09Å
189S96.3Very high97.1Very high71 Ų7129.4 Ų29.450%0.49716%0.158SC..THydrogen-bonded Turntrans-83.7-27.8177.163.60000113.5N186 R193N186-S189 VanDerWaalsContact CG-OG 3.29Å; N186-S189 PolarHBondContact O-N 3.05Å; N186-S189 PolarHBondContact O-OG 3.48Å; N186-S189 PolarHBondContact OD1-N 3.24Å; N186-S189 PolarHBondContact OD1-OG 3.43Å; S189-R193 PolarHBondContact OG-NH1 2.84Å
190N97.4Very high97Very high40 Ų4029.4 Ų29.421%0.21416%0.158CC..  trans-145.4103.2172.4179.1-2.9000109.9N186 F187 L192 R193 Y198N186-N190 PolarHBondContact O-N 3.49Å; F187-N190 WeakPolarHBondContact CA-O 3.27Å; F187-N190 CarbonylContact O-C 3.47Å; F187-N190 VanDerWaalsContact O-C 3.25Å; N190-L192 PolarHBondContact O-N 2.69Å; N190-L192 WeakPolarHBondContact OD1-CB 3.29Å; N190-L192 PolarHBondContact OD1-N 2.9Å; N190-R193 HydrophobicContact CB-CG 4.37Å; N190-R193 WeakPolarHBondContact O-CB 3.44Å; N190-R193 PolarHBondContact O-N 2.84Å; N190-Y198 PolarHBondContact ND2-OH 3.38Å
191P97Very high96.9Very high97 Ų9732.7 Ų32.763%0.6317%0.17SC*.G310 helixtrans-54.8-25.8-177.5-28.335.5000114.3F187 R193 G194F187-P191 VanDerWaalsContact O-CA 3.29Å; F187-P191 WeakPolarHBondContact O-CA 3.46Å; P191-R193 PolarHBondContact O-N 3.26Å; P191-G194 PolarHBondContact O-N 2.79Å
192L96.1Very high96.9Very high55 Ų5537.4 Ų37.429%0.28819%0.188SC..G310 helixtrans-62.3-27179.2-65.8177.6000113N190 G194 F195 Y198 W242N190-L192 PolarHBondContact O-N 2.69Å; N190-L192 WeakPolarHBondContact OD1-CB 3.29Å; N190-L192 PolarHBondContact OD1-N 2.9Å; L192-G194 PolarHBondContact O-N 3.29Å; L192-F195 HydrophobicContact CD2-CD2 4.12Å; L192-F195 HydrophobicContact CD2-CE2 4.17Å; L192-F195 WeakPolarHBondContact O-CB 3.44Å; L192-F195 PolarHBondContact O-N 2.97Å; L192-Y198 HydrophobicContact CB-CD1 4.06Å; L192-Y198 HydrophobicContact CB-CD2 3.71Å; L192-Y198 HydrophobicContact CB-CE1 4.12Å; L192-Y198 HydrophobicContact CB-CE2 3.76Å; L192-Y198 HydrophobicContact CB-CG 3.87Å; L192-Y198 HydrophobicContact CD1-CD2 4.13Å; L192-Y198 HydrophobicContact CD1-CE2 3.71Å; L192-Y198 HydrophobicContact CG-CD2 4.48Å; L192-Y198 HydrophobicContact CG-CE2 4.38Å; L192-Y198 VanDerWaalsContact O-CB 3.26Å; L192-Y198 WeakPolarHBondContact O-CB 3.16Å; L192-W242 HydrophobicContact CD2-CZ2 4.46Å
193R96.3Very high96.9Very high31 Ų3137.8 Ų37.812%0.11719%0.19CC..G310 helixtrans-65-21.4176.5-67.6168.4178.2143.6-7.5112.6Q143 E147 P184 N186 F187 S189 N190 P191 F195 Y198Q143-R193 VanDerWaalsContact CD-NE 3.26Å; Q143-R193 VanDerWaalsContact NE2-NH2 3.11Å; Q143-R193 VanDerWaalsContact OE1-NE 3.07Å; E147-R193 IonicContact OE1-NH2 3.87Å; E147-R193 PolarHBondContact OE1-NH2 3.44Å; P184-R193 VanDerWaalsContact CB-O 3.22Å; P184-R193 WeakPolarHBondContact CB-O 3.36Å; N186-R193 VanDerWaalsContact O-CD 3.32Å; N186-R193 WeakPolarHBondContact O-CD 3.38Å; N186-R193 PolarHBondContact O-NH1 3.04Å; F187-R193 HydrophobicContact CB-CB 4.38Å; S189-R193 PolarHBondContact OG-NH1 2.84Å; N190-R193 HydrophobicContact CB-CG 4.37Å; N190-R193 WeakPolarHBondContact O-CB 3.44Å; N190-R193 PolarHBondContact O-N 2.84Å; P191-R193 PolarHBondContact O-N 3.26Å; R193-F195 PolarHBondContact O-N 3.07Å; R193-Y198 HydrophobicContact CG-CD1 4.09Å; R193-Y198 HydrophobicContact CG-CE1 3.84Å
194G95.8Very high97Very high27 Ų2737.7 Ų37.728%0.27819%0.189SC..G310 helixtrans-67.1-18.7171.300000113.1P191 L192 Y231P191-G194 PolarHBondContact O-N 2.79Å; L192-G194 PolarHBondContact O-N 3.29Å; G194-Y231 WeakPolarHBondContact O-CE2 3.32Å; G194-Y231 PolarHBondContact O-OH 2.86Å
195F96.6Very high97.2Very high85 Ų8538 Ų3837%0.37319%0.19SC..SBendtrans-84.5126.6172.4-63.4-74.8000110.6L192 R193 G197 Y198 A199 W242 L243L192-F195 HydrophobicContact CD2-CD2 4.12Å; L192-F195 HydrophobicContact CD2-CE2 4.17Å; L192-F195 WeakPolarHBondContact O-CB 3.44Å; L192-F195 PolarHBondContact O-N 2.97Å; R193-F195 PolarHBondContact O-N 3.07Å; F195-G197 VanDerWaalsContact C-N 3.33Å; F195-G197 PolarHBondContact O-N 3.35Å; F195-Y198 WeakPolarHBondContact O-CB 3.19Å; F195-Y198 PolarHBondContact O-N 3.37Å; F195-Y198 VanDerWaalsContact O-N 3.13Å; F195-A199 PolarHBondContact O-N 3.3Å; F195-W242 CarbonylContact C-O 3.25Å; F195-W242 HydrophobicContact CB-CB 4.11Å; F195-W242 VanDerWaalsContact CB-O 3.27Å; F195-W242 WeakPolarHBondContact CB-O 3.16Å; F195-W242 HydrophobicContact CG-CB 4.31Å; F195-L243 HydrophobicContact CD1-CD2 4Å
196P97.1Very high97.2Very high4 Ų440.3 Ų40.33%0.02621%0.205CC..Hα-helixtrans-69.3-32.9-166.227.7-31000112.2A199 G200 V229 Y231 G244P196-A199 PolarHBondContact O-N 3.02Å; P196-G200 PolarHBondContact O-N 3.28Å; P196-V229 HydrophobicContact CB-CB 4.13Å; P196-V229 HydrophobicContact CB-CG1 4.5Å; P196-Y231 HydrophobicContact CB-CD2 3.93Å; P196-Y231 HydrophobicContact CB-CE2 3.68Å; P196-Y231 HydrophobicContact CG-CD2 3.92Å; P196-Y231 HydrophobicContact CG-CE2 3.81Å; P196-G244 CarbonylContact C-O 3.52Å
197G97.2Very high97.3Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-71.3-33176.500000112.6F195 R201 G241 W242 G244 G246F195-G197 VanDerWaalsContact C-N 3.33Å; F195-G197 PolarHBondContact O-N 3.35Å; G197-R201 WeakPolarHBondContact O-CB 3.44Å; G197-R201 PolarHBondContact O-N 2.6Å; G197-G241 CarbonylContact C-O 3.55Å; G197-G241 WeakPolarHBondContact CA-O 3.45Å; G197-W242 WeakPolarHBondContact CA-O 3.37Å; G197-W242 PolarHBondContact N-O 3.45Å; G197-G244 WeakPolarHBondContact CA-O 3.39Å; G197-G244 PolarHBondContact N-O 3.23Å; G197-G244 VanDerWaalsContact N-O 3.13Å; G197-G246 VanDerWaalsContact CA-CA 3.49Å; G197-G246 WeakPolarHBondContact O-CA 3.37Å
198Y97.2Very high97.3Very high41 Ų4138 Ų3816%0.16120%0.195CC..Hα-helixtrans-66.1-50172.2-177.2-79.2000110.3N190 L192 R193 F195 R201 Y202 G241 W242N190-Y198 PolarHBondContact ND2-OH 3.38Å; L192-Y198 HydrophobicContact CB-CD1 4.06Å; L192-Y198 HydrophobicContact CB-CD2 3.71Å; L192-Y198 HydrophobicContact CB-CE1 4.12Å; L192-Y198 HydrophobicContact CB-CE2 3.76Å; L192-Y198 HydrophobicContact CB-CG 3.87Å; L192-Y198 HydrophobicContact CD1-CD2 4.13Å; L192-Y198 HydrophobicContact CD1-CE2 3.71Å; L192-Y198 HydrophobicContact CG-CD2 4.48Å; L192-Y198 HydrophobicContact CG-CE2 4.38Å; L192-Y198 VanDerWaalsContact O-CB 3.26Å; L192-Y198 WeakPolarHBondContact O-CB 3.16Å; R193-Y198 HydrophobicContact CG-CD1 4.09Å; R193-Y198 HydrophobicContact CG-CE1 3.84Å; F195-Y198 WeakPolarHBondContact O-CB 3.19Å; F195-Y198 PolarHBondContact O-N 3.37Å; F195-Y198 VanDerWaalsContact O-N 3.13Å; Y198-R201 PolarHBondContact O-N 2.92Å; Y198-Y202 AromaticContact CD1-CD2 3.92Å; Y198-Y202 HydrophobicContact CD1-CD2 3.92Å; Y198-Y202 AromaticContact CD2-CD2 3.56Å; Y198-Y202 HydrophobicContact CD2-CD2 3.56Å; Y198-Y202 AromaticContact CD2-CE2 3.59Å; Y198-Y202 HydrophobicContact CD2-CE2 3.59Å; Y198-Y202 AromaticContact CE1-CD2 3.84Å; Y198-Y202 HydrophobicContact CE1-CD2 3.84Å; Y198-Y202 HydrophobicContact CE1-CG 4.38Å; Y198-Y202 AromaticContact CE2-CD2 3.49Å; Y198-Y202 HydrophobicContact CE2-CD2 3.49Å; Y198-Y202 VanDerWaalsContact CE2-CD2 3.49Å; Y198-Y202 AromaticContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CE2-CG 4.5Å; Y198-Y202 AromaticContact CG-CD2 3.77Å; Y198-Y202 HydrophobicContact CG-CD2 3.77Å; Y198-Y202 HydrophobicContact CG-CE2 4.23Å; Y198-Y202 AromaticContact CZ-CD2 3.63Å; Y198-Y202 VanDerWaalsContact O-CD2 3.3Å; Y198-Y202 WeakPolarHBondContact O-CD2 3.26Å; Y198-Y202 PolarHBondContact O-N 2.93Å; Y198-G241 PolarHBondContact N-O 3.27Å; Y198-W242 PolarHBondContact N-O 3.31Å
199A97.7Very high97.4Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-60.8-46.6177.500000111.9P184 F195 P196 R201 Y202 N203 L204 V229P184-A199 HydrophobicContact CB-CB 4.24Å; P184-A199 WeakPolarHBondContact O-CB 3.46Å; F195-A199 PolarHBondContact O-N 3.3Å; P196-A199 PolarHBondContact O-N 3.02Å; A199-R201 VanDerWaalsContact C-N 3.26Å; A199-R201 PolarHBondContact O-N 3.33Å; A199-Y202 PolarHBondContact O-N 3.34Å; A199-N203 WeakPolarHBondContact O-CA 3.33Å; A199-N203 VanDerWaalsContact O-CB 3.24Å; A199-N203 WeakPolarHBondContact O-CB 3.08Å; A199-N203 PolarHBondContact O-N 2.88Å; A199-L204 PolarHBondContact O-N 3.38Å; A199-V229 HydrophobicContact CB-CG2 3.66Å
200G97.5Very high97.5Very high0 Ų034.2 Ų34.20%017%0.171CC..Iπ-helixtrans-57.6-39.2176.300000112.8P196 L205 T245 F247P196-G200 PolarHBondContact O-N 3.28Å; G200-L205 WeakPolarHBondContact O-CB 3.25Å; G200-L205 PolarHBondContact O-N 2.98Å; G200-T245 WeakPolarHBondContact CA-O 3.35Å; G200-F247 WeakPolarHBondContact O-CE1 3.39Å
201R96.5Very high97.6Very high69 Ų6932.3 Ų32.326%0.2616%0.161SC..Iπ-helixtrans-75.5-43.3-179.2-173.3172.7-169.6171.3-0.2114.2G197 Y198 A199 R248G197-R201 WeakPolarHBondContact O-CB 3.44Å; G197-R201 PolarHBondContact O-N 2.6Å; Y198-R201 PolarHBondContact O-N 2.92Å; A199-R201 VanDerWaalsContact C-N 3.26Å; A199-R201 PolarHBondContact O-N 3.33Å; R201-R248 VanDerWaalsContact CZ-CZ 3.46Å; R201-R248 VanDerWaalsContact NH1-CZ 3.28Å
202Y97.2Very high97.7Very high123 Ų12328 Ų2848%0.48213%0.133SC..Iπ-helixtrans-104.7-23-168.8-65-68.8000114Y198 A199Y198-Y202 AromaticContact CD1-CD2 3.92Å; Y198-Y202 HydrophobicContact CD1-CD2 3.92Å; Y198-Y202 AromaticContact CD2-CD2 3.56Å; Y198-Y202 HydrophobicContact CD2-CD2 3.56Å; Y198-Y202 AromaticContact CD2-CE2 3.59Å; Y198-Y202 HydrophobicContact CD2-CE2 3.59Å; Y198-Y202 AromaticContact CE1-CD2 3.84Å; Y198-Y202 HydrophobicContact CE1-CD2 3.84Å; Y198-Y202 HydrophobicContact CE1-CG 4.38Å; Y198-Y202 AromaticContact CE2-CD2 3.49Å; Y198-Y202 HydrophobicContact CE2-CD2 3.49Å; Y198-Y202 VanDerWaalsContact CE2-CD2 3.49Å; Y198-Y202 AromaticContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CE2-CG 4.5Å; Y198-Y202 AromaticContact CG-CD2 3.77Å; Y198-Y202 HydrophobicContact CG-CD2 3.77Å; Y198-Y202 HydrophobicContact CG-CE2 4.23Å; Y198-Y202 AromaticContact CZ-CD2 3.63Å; Y198-Y202 VanDerWaalsContact O-CD2 3.3Å; Y198-Y202 WeakPolarHBondContact O-CD2 3.26Å; Y198-Y202 PolarHBondContact O-N 2.93Å; A199-Y202 PolarHBondContact O-N 3.34Å
203N98Very high97.8Very high9 Ų928 Ų285%0.04813%0.131CC..Iπ-helixtrans-102-53.9175.5-73.5-15.2000111.1Q143 Y146 P184 A199Q143-N203 PolarHBondContact NE2-OD1 2.91Å; Q143-N203 VanDerWaalsContact NE2-OD1 3.15Å; Q143-N203 PolarHBondContact OE1-ND2 3.5Å; Y146-N203 HydrophobicContact CD1-CB 4.43Å; Y146-N203 HydrophobicContact CD2-CB 3.52Å; Y146-N203 HydrophobicContact CE2-CB 4.06Å; Y146-N203 HydrophobicContact CG-CB 3.72Å; P184-N203 PolarHBondContact O-ND2 3.18Å; A199-N203 WeakPolarHBondContact O-CA 3.33Å; A199-N203 VanDerWaalsContact O-CB 3.24Å; A199-N203 WeakPolarHBondContact O-CB 3.08Å; A199-N203 PolarHBondContact O-N 2.88Å
204L98.6Very high97.9Very high0 Ų028.4 Ų28.40%013%0.133CC..Iπ-helixtrans-80.8-52.8-168.9-54.2-176.4000114.1Y146 P182 A199 P206 V207 Y208 V229 F247Y146-L204 HydrophobicContact CD1-CD2 4.37Å; Y146-L204 HydrophobicContact CE1-CD2 3.62Å; Y146-L204 HydrophobicContact CE2-CD2 4.37Å; P182-L204 HydrophobicContact CB-CD1 3.95Å; P182-L204 HydrophobicContact CB-CD2 3.67Å; P182-L204 HydrophobicContact CB-CG 4.49Å; P182-L204 HydrophobicContact CG-CD1 3.67Å; P182-L204 HydrophobicContact CG-CD2 4.32Å; A199-L204 PolarHBondContact O-N 3.38Å; L204-P206 VanDerWaalsContact C-CD 3.49Å; L204-V207 VanDerWaalsContact O-CG1 3.31Å; L204-V207 WeakPolarHBondContact O-CG1 3.4Å; L204-V207 PolarHBondContact O-N 2.94Å; L204-Y208 HydrophobicContact CB-CD2 4.33Å; L204-Y208 HydrophobicContact CB-CE1 4.44Å; L204-Y208 HydrophobicContact CB-CE2 3.95Å; L204-Y208 WeakPolarHBondContact O-CB 3.38Å; L204-Y208 VanDerWaalsContact O-CG 3.25Å; L204-Y208 PolarHBondContact O-N 2.91Å; L204-V229 HydrophobicContact CD1-CG2 3.9Å; L204-F247 HydrophobicContact CB-CE1 3.97Å; L204-F247 HydrophobicContact CB-CZ 4.05Å; L204-F247 HydrophobicContact CD1-CZ 4.23Å
205L98.2Very high98Very high16 Ų1627.1 Ų27.18%0.08412%0.119CC..Hα-helixtrans-56.3-42.8-174.6-17458.9000113.6G200 Y208 D209 F247 R249 P251G200-L205 WeakPolarHBondContact O-CB 3.25Å; G200-L205 PolarHBondContact O-N 2.98Å; L205-Y208 PolarHBondContact O-N 3.18Å; L205-D209 VanDerWaalsContact O-CG 3.29Å; L205-D209 PolarHBondContact O-N 3.46Å; L205-F247 HydrophobicContact CB-CD1 3.91Å; L205-F247 HydrophobicContact CB-CE1 4.01Å; L205-F247 HydrophobicContact CD1-CD1 4Å; L205-F247 HydrophobicContact CD1-CE1 4.48Å; L205-F247 HydrophobicContact CG-CD1 4.36Å; L205-R249 HydrophobicContact CD2-CG 4.48Å; L205-P251 HydrophobicContact CD1-CG 4.31Å
206P98.4Very high98.1Very high50 Ų5024.5 Ų24.533%0.32511%0.107SC..Hα-helixtrans-63.3-44178.3-23.536000113.2W153 L204 D209 Y210W153-P206 HydrophobicContact CH2-CB 3.8Å; W153-P206 HydrophobicContact CZ2-CB 4.34Å; L204-P206 VanDerWaalsContact C-CD 3.49Å; P206-D209 PolarHBondContact O-N 3.46Å; P206-Y210 PolarHBondContact O-N 3.39Å
207V98.6Very high98.1Very high0 Ų029.1 Ų29.10%013%0.128CC..Hα-helixtrans-69.3-40178.275.90000110.2Y146 W153 W156 L204 D209 Y210 L211Y146-V207 HydrophobicContact CD1-CG1 4.44Å; W153-V207 HydrophobicContact CD2-CB 4.3Å; W153-V207 HydrophobicContact CD2-CG2 3.83Å; W153-V207 HydrophobicContact CG-CG2 3.78Å; W153-V207 HydrophobicContact CZ2-CB 3.85Å; W153-V207 HydrophobicContact CZ2-CG2 4.26Å; W156-V207 HydrophobicContact CE3-CG2 3.79Å; W156-V207 HydrophobicContact CH2-CG1 4.15Å; W156-V207 HydrophobicContact CZ3-CB 4.5Å; W156-V207 HydrophobicContact CZ3-CG1 3.87Å; W156-V207 HydrophobicContact CZ3-CG2 3.76Å; L204-V207 VanDerWaalsContact O-CG1 3.31Å; L204-V207 WeakPolarHBondContact O-CG1 3.4Å; L204-V207 PolarHBondContact O-N 2.94Å; V207-D209 VanDerWaalsContact C-N 3.34Å; V207-D209 PolarHBondContact O-N 3.43Å; V207-Y210 WeakPolarHBondContact O-CA 3.37Å; V207-Y210 VanDerWaalsContact O-CB 3.31Å; V207-Y210 WeakPolarHBondContact O-CB 3.08Å; V207-Y210 PolarHBondContact O-N 2.95Å; V207-L211 HydrophobicContact CG2-CD1 4.47Å; V207-L211 HydrophobicContact CG2-CG 4.39Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.47Å; V207-L211 PolarHBondContact O-N 3.44Å
208Y98.8Very high98.2Very high0 Ų034 Ų340%015%0.147CC..Hα-helixtrans-63-38.6177.3-66.2-6.7000112.5W156 L178 I179 P182 L204 L205 Y210 L211 V212 E227 F247 P251W156-Y208 HydrophobicContact CH2-CE1 4.24Å; L178-Y208 HydrophobicContact CB-CD1 4.35Å; L178-Y208 HydrophobicContact CB-CE1 4.29Å; L178-Y208 HydrophobicContact CD1-CD1 3.85Å; L178-Y208 HydrophobicContact CD1-CD2 4.15Å; L178-Y208 HydrophobicContact CD1-CE1 4.49Å; L178-Y208 HydrophobicContact CD1-CG 3.68Å; I179-Y208 HydrophobicContact CG2-CE1 3.65Å; I179-Y208 WeakPolarHBondContact CG2-OH 3.11Å; P182-Y208 WeakPolarHBondContact CG-OH 3.49Å; L204-Y208 HydrophobicContact CB-CD2 4.33Å; L204-Y208 HydrophobicContact CB-CE1 4.44Å; L204-Y208 HydrophobicContact CB-CE2 3.95Å; L204-Y208 WeakPolarHBondContact O-CB 3.38Å; L204-Y208 VanDerWaalsContact O-CG 3.25Å; L204-Y208 PolarHBondContact O-N 2.91Å; L205-Y208 PolarHBondContact O-N 3.18Å; Y208-Y210 VanDerWaalsContact C-N 3.28Å; Y208-Y210 PolarHBondContact O-N 3.19Å; Y208-L211 HydrophobicContact CD1-CD1 4.36Å; Y208-L211 PolarHBondContact O-N 2.85Å; Y208-V212 WeakPolarHBondContact O-CB 3.46Å; Y208-V212 VanDerWaalsContact O-CG2 3.3Å; Y208-V212 WeakPolarHBondContact O-CG2 3.39Å; Y208-V212 PolarHBondContact O-N 3.17Å; Y208-E227 VanDerWaalsContact CE2-O 3.27Å; Y208-E227 WeakPolarHBondContact CE2-O 3.38Å; Y208-E227 PolarHBondContact OH-O 3.38Å; Y208-F247 HydrophobicContact CD2-CE1 4.2Å; Y208-F247 HydrophobicContact CD2-CZ 4.09Å; Y208-F247 HydrophobicContact CE2-CE1 4.3Å; Y208-F247 AromaticContact CE2-CZ 3.78Å; Y208-F247 HydrophobicContact CE2-CZ 3.78Å; Y208-P251 HydrophobicContact CD2-CG 3.91Å; Y208-P251 HydrophobicContact CG-CG 4.27Å
209D98.8Very high98.2Very high16 Ų1632.1 Ų32.19%0.08614%0.14CC..Hα-helixtrans-58.4-43.4172.1-74.7-29.9000112.1L205 P206 V207 E213 R249 P251 G252 N254L205-D209 VanDerWaalsContact O-CG 3.29Å; L205-D209 PolarHBondContact O-N 3.46Å; P206-D209 PolarHBondContact O-N 3.46Å; V207-D209 VanDerWaalsContact C-N 3.34Å; V207-D209 PolarHBondContact O-N 3.43Å; D209-E213 WeakPolarHBondContact O-CB 3.41Å; D209-E213 PolarHBondContact O-N 3.21Å; D209-R249 VanDerWaalsContact CG-NH1 3.29Å; D209-R249 IonicContact OD1-CZ 3.5Å; D209-R249 IonicContact OD1-NH1 2.65Å; D209-R249 PolarHBondContact OD1-NH1 3.06Å; D209-R249 IonicContact OD1-NH2 2.83Å; D209-R249 IonicContact OD2-CZ 3.48Å; D209-R249 VanDerWaalsContact OD2-CZ 3.29Å; D209-R249 IonicContact OD2-NH1 3.95Å; D209-R249 PolarHBondContact OD2-NH1 3.47Å; D209-R249 VanDerWaalsContact OD2-NH1 3.12Å; D209-R249 IonicContact OD2-NH2 3.82Å; D209-R249 PolarHBondContact OD2-NH2 3.19Å; D209-P251 WeakPolarHBondContact OD1-CA 3.28Å; D209-G252 PolarHBondContact OD1-N 3.01Å; D209-N254 PolarHBondContact OD2-ND2 2.88Å
210Y98.8Very high98.2Very high56 Ų5638.5 Ų38.522%0.2217%0.168CC..Hα-helixtrans-63.1-46177.5-175.2-95.8000111.6W153 N154 P206 V207 Y208 E213 R214W153-Y210 HydrophobicContact CB-CD1 3.83Å; W153-Y210 HydrophobicContact CB-CE1 3.85Å; W153-Y210 HydrophobicContact CE3-CD1 4.22Å; W153-Y210 HydrophobicContact CE3-CD2 4.13Å; W153-Y210 AromaticContact CE3-CG 3.79Å; W153-Y210 HydrophobicContact CE3-CG 3.79Å; W153-Y210 HydrophobicContact CZ3-CG 4.43Å; W153-Y210 VanDerWaalsContact O-CE1 3.28Å; W153-Y210 WeakPolarHBondContact O-CE1 3.38Å; N154-Y210 PolarHBondContact OD1-OH 3.35Å; P206-Y210 PolarHBondContact O-N 3.39Å; V207-Y210 WeakPolarHBondContact O-CA 3.37Å; V207-Y210 VanDerWaalsContact O-CB 3.31Å; V207-Y210 WeakPolarHBondContact O-CB 3.08Å; V207-Y210 PolarHBondContact O-N 2.95Å; Y208-Y210 VanDerWaalsContact C-N 3.28Å; Y208-Y210 PolarHBondContact O-N 3.19Å; Y210-E213 WeakPolarHBondContact O-CB 3.5Å; Y210-E213 PolarHBondContact O-N 2.89Å; Y210-R214 HydrophobicContact CD1-CG 4.2Å; Y210-R214 HydrophobicContact CE1-CG 3.88Å; Y210-R214 WeakPolarHBondContact O-CG 3.32Å; Y210-R214 PolarHBondContact O-N 3.49Å; Y210-R214 VanDerWaalsContact O-N 3.1Å
211L98.9Very high98.1Very high0 Ų042.3 Ų42.30%020%0.195CC..Hα-helixtrans-64.8-43.6178.7-60.7177000111.9W156 L178 V207 Y208 E213 R214 I215W156-L211 HydrophobicContact CB-CD2 3.85Å; W156-L211 HydrophobicContact CD2-CD1 3.65Å; W156-L211 HydrophobicContact CD2-CD2 4.03Å; W156-L211 HydrophobicContact CD2-CG 4.41Å; W156-L211 HydrophobicContact CE3-CD1 4.18Å; W156-L211 HydrophobicContact CG-CD1 4.06Å; W156-L211 HydrophobicContact CG-CD2 3.65Å; W156-L211 HydrophobicContact CG-CG 4.48Å; W156-L211 HydrophobicContact CH2-CD1 4.09Å; W156-L211 HydrophobicContact CZ2-CD1 3.52Å; W156-L211 HydrophobicContact CZ3-CD1 4.4Å; L178-L211 HydrophobicContact CD2-CB 4.21Å; L178-L211 HydrophobicContact CD2-CD1 4.46Å; V207-L211 HydrophobicContact CG2-CD1 4.47Å; V207-L211 HydrophobicContact CG2-CG 4.39Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.47Å; V207-L211 PolarHBondContact O-N 3.44Å; Y208-L211 HydrophobicContact CD1-CD1 4.36Å; Y208-L211 PolarHBondContact O-N 2.85Å; L211-E213 VanDerWaalsContact C-N 3.32Å; L211-E213 PolarHBondContact O-N 2.66Å; L211-R214 WeakPolarHBondContact O-CB 3.36Å; L211-R214 PolarHBondContact O-N 3.27Å; L211-R214 VanDerWaalsContact O-N 3.16Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.4Å
212V98.8Very high98.1Very high6 Ų639.6 Ų39.64%0.03619%0.186CC..Hα-helixtrans-62.1-42176.9172.10000110.7L178 Y208 R214 I215 R216 I224 P251L178-V212 HydrophobicContact CD1-CG2 4.27Å; Y208-V212 WeakPolarHBondContact O-CB 3.46Å; Y208-V212 VanDerWaalsContact O-CG2 3.3Å; Y208-V212 WeakPolarHBondContact O-CG2 3.39Å; Y208-V212 PolarHBondContact O-N 3.17Å; V212-R214 VanDerWaalsContact C-N 3.31Å; V212-R214 PolarHBondContact O-N 3.2Å; V212-I215 PolarHBondContact O-N 3.44Å; V212-R216 HydrophobicContact CG1-CG 3.93Å; V212-R216 VanDerWaalsContact O-CB 3.29Å; V212-R216 WeakPolarHBondContact O-CB 3.4Å; V212-R216 WeakPolarHBondContact O-CG 3.17Å; V212-R216 PolarHBondContact O-N 3.38Å; V212-I224 HydrophobicContact CG1-CG1 4.38Å; V212-I224 HydrophobicContact CG2-CB 4.34Å; V212-I224 HydrophobicContact CG2-CD1 4.19Å; V212-I224 HydrophobicContact CG2-CG1 3.88Å; V212-I224 HydrophobicContact CG2-CG2 3.69Å; V212-P251 HydrophobicContact CG2-CB 3.74Å
213E98.4Very high98.1Very high55 Ų5535.8 Ų35.826%0.25717%0.174SC..Hα-helixtrans-56-46.6173.9178.3-174.5177.600111.9D209 Y210 L211 R216 Q217 R255D209-E213 WeakPolarHBondContact O-CB 3.41Å; D209-E213 PolarHBondContact O-N 3.21Å; Y210-E213 WeakPolarHBondContact O-CB 3.5Å; Y210-E213 PolarHBondContact O-N 2.89Å; L211-E213 VanDerWaalsContact C-N 3.32Å; L211-E213 PolarHBondContact O-N 2.66Å; E213-R216 PolarHBondContact O-N 3.08Å; E213-Q217 PolarHBondContact O-N 3.01Å; E213-R255 VanDerWaalsContact CD-NH2 3.34Å; E213-R255 IonicContact OE1-CZ 3.21Å; E213-R255 IonicContact OE1-NH1 2.62Å; E213-R255 PolarHBondContact OE1-NH1 2.98Å; E213-R255 IonicContact OE1-NH2 3.32Å; E213-R255 PolarHBondContact OE1-NH2 2.66Å; E213-R255 IonicContact OE2-CZ 2.87Å; E213-R255 IonicContact OE2-NE 3.46Å; E213-R255 PolarHBondContact OE2-NE 3.43Å; E213-R255 IonicContact OE2-NH1 3.19Å; E213-R255 PolarHBondContact OE2-NH1 3.32Å; E213-R255 IonicContact OE2-NH2 2.72Å; E213-R255 PolarHBondContact OE2-NH2 3.25Å
214R98.5Very high98.2Very high40 Ų4035.3 Ų35.315%0.15117%0.171CC..Hα-helixtrans-62.5-50.1179-64.3-81-75.2165.2-6.1111.4D158 E161 Y210 L211 V212 R216 Q217D158-R214 IonicContact OD1-NH2 3.76Å; D158-R214 PolarHBondContact OD1-NH2 2.94Å; E161-R214 VanDerWaalsContact CD-NH1 3.29Å; E161-R214 HydrophobicContact CG-CB 4Å; E161-R214 WeakPolarHBondContact OE1-CD 3.41Å; E161-R214 IonicContact OE1-CZ 3.35Å; E161-R214 IonicContact OE1-NE 3.7Å; E161-R214 PolarHBondContact OE1-NE 2.81Å; E161-R214 VanDerWaalsContact OE1-NE 3.1Å; E161-R214 IonicContact OE1-NH1 3.71Å; E161-R214 PolarHBondContact OE1-NH1 3.43Å; E161-R214 IonicContact OE1-NH2 3.77Å; E161-R214 IonicContact OE2-CZ 2.62Å; E161-R214 IonicContact OE2-NH1 3.12Å; E161-R214 IonicContact OE2-NH2 3.66Å; E161-R214 PolarHBondContact OE2-NH2 2.97Å; Y210-R214 HydrophobicContact CD1-CG 4.2Å; Y210-R214 HydrophobicContact CE1-CG 3.88Å; Y210-R214 WeakPolarHBondContact O-CG 3.32Å; Y210-R214 PolarHBondContact O-N 3.49Å; Y210-R214 VanDerWaalsContact O-N 3.1Å; L211-R214 WeakPolarHBondContact O-CB 3.36Å; L211-R214 PolarHBondContact O-N 3.27Å; L211-R214 VanDerWaalsContact O-N 3.16Å; V212-R214 VanDerWaalsContact C-N 3.31Å; V212-R214 PolarHBondContact O-N 3.2Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.95Å; R214-Q217 WeakPolarHBondContact O-CB 3.3Å; R214-Q217 PolarHBondContact O-N 3.49Å; R214-Q217 VanDerWaalsContact O-N 3.11Å
215I98.8Very high98.2Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-55.6-49.3175.6-70.7163.4000110.7W160 A164 Y176 L178 L211 V212 Q217 Y218 D219 I224W160-I215 HydrophobicContact CB-CD1 3.97Å; W160-I215 HydrophobicContact CB-CG1 3.64Å; W160-I215 HydrophobicContact CD2-CD1 4.03Å; W160-I215 HydrophobicContact CE3-CD1 4.27Å; W160-I215 HydrophobicContact CG-CD1 3.91Å; W160-I215 HydrophobicContact CG-CG1 4.15Å; A164-I215 HydrophobicContact CB-CG2 4.17Å; Y176-I215 HydrophobicContact CD2-CD1 4.24Å; Y176-I215 HydrophobicContact CD2-CG2 3.7Å; Y176-I215 HydrophobicContact CE2-CG2 3.67Å; L178-I215 HydrophobicContact CD2-CD1 3.66Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.4Å; V212-I215 PolarHBondContact O-N 3.44Å; I215-Q217 PolarHBondContact O-N 2.64Å; I215-Y218 PolarHBondContact O-N 3.45Å; I215-D219 PolarHBondContact O-N 3.04Å; I215-I224 HydrophobicContact CD1-CD1 3.86Å; I215-I224 HydrophobicContact CG2-CD1 4.09Å
216R98.1Very high98.2Very high30 Ų3034.6 Ų34.611%0.11317%0.167CC..Hα-helixtrans-64.3-11.4-177-68.8-41.5-177.6-153.8-0.3112.6V212 E213 R214 Y218 D219 K220 S222V212-R216 HydrophobicContact CG1-CG 3.93Å; V212-R216 VanDerWaalsContact O-CB 3.29Å; V212-R216 WeakPolarHBondContact O-CB 3.4Å; V212-R216 WeakPolarHBondContact O-CG 3.17Å; V212-R216 PolarHBondContact O-N 3.38Å; E213-R216 PolarHBondContact O-N 3.08Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.95Å; R216-Y218 PolarHBondContact O-N 3.2Å; R216-D219 WeakPolarHBondContact CA-O 3.48Å; R216-D219 WeakPolarHBondContact CD-O 3.19Å; R216-D219 PolarHBondContact NH1-O 3.47Å; R216-K220 WeakPolarHBondContact O-CD 3.4Å; R216-K220 WeakPolarHBondContact O-CE 3.46Å; R216-K220 PolarHBondContact O-NZ 3.08Å; R216-S222 VanDerWaalsContact CZ-O 3.23Å; R216-S222 PolarHBondContact NH1-O 2.96Å; R216-S222 PolarHBondContact NH2-O 3.4Å
217Q98Very high98.2Very high100 Ų10032.3 Ų32.347%0.46715%0.153SC..THydrogen-bonded Turntrans-66-27.3169.9-62.8-172.92.600112.7E161 E213 R214 I215E161-Q217 PolarHBondContact OE1-OE1 2.87Å; E213-Q217 PolarHBondContact O-N 3.01Å; R214-Q217 WeakPolarHBondContact O-CB 3.3Å; R214-Q217 PolarHBondContact O-N 3.49Å; R214-Q217 VanDerWaalsContact O-N 3.11Å; I215-Q217 PolarHBondContact O-N 2.64Å
218Y98.4Very high98.2Very high102 Ų10232.5 Ų32.540%0.415%0.154SC..THydrogen-bonded Turntrans-119.3-29.5-172.7-56.1-77.4000113.7E161 K165 I215 R216E161-Y218 HydrophobicContact CB-CD2 4.19Å; E161-Y218 HydrophobicContact CB-CE2 4.05Å; E161-Y218 VanDerWaalsContact CD-CE2 3.44Å; E161-Y218 HydrophobicContact CG-CD2 3.98Å; E161-Y218 HydrophobicContact CG-CE2 3.67Å; K165-Y218 HydrophobicContact CD-CD1 4.08Å; K165-Y218 HydrophobicContact CD-CE1 4.09Å; K165-Y218 HydrophobicContact CD-CG 4.3Å; K165-Y218 VanDerWaalsContact CE-CE2 3.41Å; K165-Y218 VanDerWaalsContact CE-OH 3.31Å; K165-Y218 WeakPolarHBondContact CE-OH 3.34Å; K165-Y218 HydrophobicContact CG-CD1 3.44Å; K165-Y218 VanDerWaalsContact CG-CD1 3.44Å; K165-Y218 HydrophobicContact CG-CD2 4.08Å; K165-Y218 HydrophobicContact CG-CE1 3.98Å; K165-Y218 HydrophobicContact CG-CG 3.5Å; K165-Y218 VanDerWaalsContact CG-CG 3.5Å; K165-Y218 VanDerWaalsContact NZ-CZ 3.31Å; K165-Y218 PolarHBondContact NZ-OH 2.99Å; K165-Y218 VanDerWaalsContact NZ-OH 3.09Å; I215-Y218 PolarHBondContact O-N 3.45Å; R216-Y218 PolarHBondContact O-N 3.2Å
219D98.1Very high98.1Very high3 Ų332.6 Ų32.62%0.01615%0.154CC..  trans-131113.7177.1-176.1-20.4000111.3A164 G168 Y176 I215 R216 S221 S222A164-D219 HydrophobicContact CB-CB 4.12Å; G168-D219 WeakPolarHBondContact CA-OD2 3.28Å; Y176-D219 HydrophobicContact CE2-CB 4.28Å; Y176-D219 PolarHBondContact OH-OD2 3.14Å; I215-D219 PolarHBondContact O-N 3.04Å; R216-D219 WeakPolarHBondContact CA-O 3.48Å; R216-D219 WeakPolarHBondContact CD-O 3.19Å; R216-D219 PolarHBondContact NH1-O 3.47Å; D219-S221 PolarHBondContact OD1-N 2.73Å; D219-S221 PolarHBondContact OD1-OG 2.84Å; D219-S222 PolarHBondContact OD1-N 3.35Å; D219-S222 WeakPolarHBondContact OD2-CB 3.43Å; D219-S222 PolarHBondContact OD2-OG 3.39Å
220K96Very high97.9Very high134 Ų13433.5 Ų33.558%0.58316%0.161SC*.SBendtrans-91.8-9.1-177.7-58.4-65.6-177-178.10114.1R216 K262R216-K220 WeakPolarHBondContact O-CD 3.4Å; R216-K220 WeakPolarHBondContact O-CE 3.46Å; R216-K220 PolarHBondContact O-NZ 3.08Å; K220-K262 WeakPolarHBondContact O-CD 3.27Å; K220-K262 PolarHBondContact O-NZ 3.34Å
221S95.2Very high97.7Very high80 Ų8035.1 Ų35.156%0.55917%0.167SC*.SBendtrans-119.2-42.3-163.737.30000114.5D219D219-S221 PolarHBondContact OD1-N 2.73Å; D219-S221 PolarHBondContact OD1-OG 2.84Å
222S97.5Very high97.5Very high12 Ų1235.1 Ų35.18%0.08417%0.167CC..SBendtrans-59.8145.7-173.6-590000111.4R216 D219R216-S222 VanDerWaalsContact CZ-O 3.23Å; R216-S222 PolarHBondContact NH1-O 2.96Å; R216-S222 PolarHBondContact NH2-O 3.4Å; D219-S222 PolarHBondContact OD1-N 3.35Å; D219-S222 WeakPolarHBondContact OD2-CB 3.43Å; D219-S222 PolarHBondContact OD2-OG 3.39Å
223L98.1Very high97.3Very high42 Ų4234.9 Ų34.922%0.2217%0.166CC..EExtended strand (participates in β ladder)trans-66.7146.8-177.2-58.1178000110.9L174 G175 Y176 F225 K262 V264L174-L223 HydrophobicContact CD1-CD1 3.76Å; L174-L223 HydrophobicContact CG-CD1 4.02Å; L174-L223 VanDerWaalsContact O-CB 3.28Å; L174-L223 WeakPolarHBondContact O-CB 3.22Å; L174-L223 WeakPolarHBondContact O-CG 3.42Å; L174-L223 PolarHBondContact O-N 3.22Å; G175-L223 CarbonylContact C-O 3.59Å; G175-L223 WeakPolarHBondContact CA-O 3.47Å; Y176-L223 PolarHBondContact N-O 3.29Å; L223-F225 HydrophobicContact CB-CD2 4.18Å; L223-F225 HydrophobicContact CB-CE2 3.78Å; L223-F225 HydrophobicContact CD1-CE2 4.25Å; L223-F225 HydrophobicContact CD1-CZ 4.43Å; L223-K262 CarbonylContact C-O 3.47Å; L223-K262 WeakPolarHBondContact CA-O 3.44Å; L223-K262 HydrophobicContact CD2-CB 4.35Å; L223-V264 HydrophobicContact CB-CG2 4.18Å; L223-V264 HydrophobicContact CD1-CG2 3.83Å; L223-V264 HydrophobicContact CG-CG2 4.43Å
224I98.8Very high97.2Very high0 Ų034.5 Ų34.50%016%0.163CC..EExtended strand (participates in β ladder)trans-99.8113.4167.7-59.4-59.5000108Y176 L178 V212 I215 K262 S263 V264Y176-I224 HydrophobicContact CD2-CD1 4.15Å; L178-I224 HydrophobicContact CD1-CG2 3.74Å; L178-I224 HydrophobicContact CD2-CG2 4.22Å; L178-I224 HydrophobicContact CG-CG2 3.89Å; V212-I224 HydrophobicContact CG1-CG1 4.38Å; V212-I224 HydrophobicContact CG2-CB 4.34Å; V212-I224 HydrophobicContact CG2-CD1 4.19Å; V212-I224 HydrophobicContact CG2-CG1 3.88Å; V212-I224 HydrophobicContact CG2-CG2 3.69Å; I215-I224 HydrophobicContact CD1-CD1 3.86Å; I215-I224 HydrophobicContact CG2-CD1 4.09Å; I224-K262 PolarHBondContact N-O 3.33Å; I224-S263 CarbonylContact O-C 3.59Å; I224-S263 WeakPolarHBondContact O-CA 3.09Å; I224-V264 PolarHBondContact O-N 3.1Å
225F98.9Very high96.9Very high0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-86.9124.9168.3-72.3-105.6000107.5I83 L174 Y176 D177 L178 L223 V264 F315 T317I83-F225 HydrophobicContact CD1-CD1 4.39Å; I83-F225 HydrophobicContact CD1-CE1 3.65Å; I83-F225 HydrophobicContact CD1-CE2 4.34Å; I83-F225 HydrophobicContact CD1-CZ 3.63Å; I83-F225 HydrophobicContact CG1-CE1 4.25Å; I83-F225 HydrophobicContact CG1-CE2 4.04Å; I83-F225 HydrophobicContact CG1-CZ 3.79Å; I83-F225 HydrophobicContact CG2-CD1 4.37Å; I83-F225 HydrophobicContact CG2-CD2 3.98Å; I83-F225 HydrophobicContact CG2-CE2 4.14Å; I83-F225 HydrophobicContact CG2-CG 4.11Å; I83-F225 HydrophobicContact CG2-CZ 4.41Å; L174-F225 HydrophobicContact CD2-CZ 4.04Å; L174-F225 HydrophobicContact CG-CE2 4.28Å; L174-F225 HydrophobicContact CG-CZ 4.26Å; Y176-F225 WeakPolarHBondContact O-CB 3.2Å; Y176-F225 PolarHBondContact O-N 3.22Å; D177-F225 HydrophobicContact CB-CB 3.84Å; L178-F225 WeakPolarHBondContact CG-O 3.45Å; L178-F225 PolarHBondContact N-O 3.02Å; L223-F225 HydrophobicContact CB-CD2 4.18Å; L223-F225 HydrophobicContact CB-CE2 3.78Å; L223-F225 HydrophobicContact CD1-CE2 4.25Å; L223-F225 HydrophobicContact CD1-CZ 4.43Å; F225-V264 WeakPolarHBondContact CA-O 3.28Å; F225-V264 HydrophobicContact CD1-CB 3.84Å; F225-V264 HydrophobicContact CD1-CG1 3.71Å; F225-V264 HydrophobicContact CD2-CB 4.48Å; F225-V264 HydrophobicContact CE1-CB 3.91Å; F225-V264 HydrophobicContact CE1-CG1 3.57Å; F225-V264 HydrophobicContact CE1-CG2 4.27Å; F225-V264 HydrophobicContact CE2-CG2 4.36Å; F225-V264 HydrophobicContact CG-CB 4.13Å; F225-V264 HydrophobicContact CG-CG1 4.49Å; F225-V264 HydrophobicContact CZ-CB 4.27Å; F225-V264 HydrophobicContact CZ-CG1 4.24Å; F225-V264 HydrophobicContact CZ-CG2 4.15Å; F225-F315 HydrophobicContact CD1-CB 4.39Å; F225-F315 HydrophobicContact CE1-CB 3.82Å; F225-F315 AromaticContact CE1-CD2 3.68Å; F225-F315 HydrophobicContact CE1-CD2 3.68Å; F225-F315 HydrophobicContact CE1-CE2 4.37Å; F225-F315 AromaticContact CE1-CG 3.82Å; F225-F315 HydrophobicContact CE1-CG 3.82Å; F225-F315 HydrophobicContact CZ-CD2 4.11Å; F225-T317 HydrophobicContact CD1-CG2 4.1Å; F225-T317 HydrophobicContact CE1-CG2 4.39Å
226Y98.8Very high96.4Very high0 Ų037.5 Ų37.50%019%0.187CC..EExtended strand (participates in β ladder)trans-129.8125.5-178.565.2-80.8000109.9F247 V250 P251 V264 L265 S266 T310Y226-F247 AromaticContact CD2-CD2 3.82Å; Y226-F247 HydrophobicContact CD2-CD2 3.82Å; Y226-F247 AromaticContact CD2-CE2 3.74Å; Y226-F247 HydrophobicContact CD2-CE2 3.74Å; Y226-F247 HydrophobicContact CD2-CG 4.45Å; Y226-F247 HydrophobicContact CD2-CZ 4.32Å; Y226-F247 AromaticContact CE2-CD2 3.68Å; Y226-F247 HydrophobicContact CE2-CD2 3.68Å; Y226-F247 HydrophobicContact CE2-CE2 4.08Å; Y226-F247 HydrophobicContact CE2-CG 4.23Å; Y226-V250 HydrophobicContact CE1-CB 4.26Å; Y226-V250 HydrophobicContact CE1-CG1 4.03Å; Y226-P251 HydrophobicContact CD1-CG 4.31Å; Y226-P251 HydrophobicContact CD2-CG 4.09Å; Y226-P251 HydrophobicContact CG-CG 3.81Å; Y226-V264 WeakPolarHBondContact CD1-O 3.4Å; Y226-V264 VanDerWaalsContact CE1-O 3.27Å; Y226-V264 WeakPolarHBondContact CE1-O 3.44Å; Y226-V264 PolarHBondContact N-O 3.32Å; Y226-L265 HydrophobicContact CD2-CD1 4.24Å; Y226-L265 HydrophobicContact CE1-CB 4.45Å; Y226-L265 HydrophobicContact CE2-CB 4.4Å; Y226-L265 HydrophobicContact CE2-CD1 3.8Å; Y226-S266 PolarHBondContact O-N 2.64Å; Y226-T310 PolarHBondContact OH-OG1 3.05Å
227E98.8Very high95.7Very high3 Ų339 Ų391%0.01420%0.197CC..  trans-97.9139.4179.9-68.6-172.8-145.200111.9R45 E181 P182 Y208 S266 H268R45-E227 IonicContact CZ-OE1 2.99Å; R45-E227 IonicContact NH2-OE1 3.22Å; R45-E227 PolarHBondContact NH2-OE1 3.42Å; E181-E227 PolarHBondContact N-OE2 3.35Å; P182-E227 HydrophobicContact CG-CB 4.16Å; Y208-E227 VanDerWaalsContact CE2-O 3.27Å; Y208-E227 WeakPolarHBondContact CE2-O 3.38Å; Y208-E227 PolarHBondContact OH-O 3.38Å; E227-S266 VanDerWaalsContact CG-CB 3.48Å; E227-S266 VanDerWaalsContact CG-OG 3.32Å; E227-S266 WeakPolarHBondContact CG-OG 3.36Å; E227-S266 PolarHBondContact OE1-OG 2.9Å; E227-H268 IonicContact OE1-CE1 3.74Å; E227-H268 IonicContact OE1-NE2 3.44Å; E227-H268 PolarHBondContact OE1-NE2 2.57Å; E227-H268 IonicContact OE2-CE1 3.42Å; E227-H268 IonicContact OE2-NE2 3.88Å
228P97.9Very high94.8Very high3 Ų336 Ų362%0.01919%0.187CC..  trans-74.4174.1162.435.3-33000109.9P182 T230 I233 T245 F247 L265 S266P182-P228 WeakPolarHBondContact CD-O 3.36Å; P182-P228 WeakPolarHBondContact CG-O 3.49Å; P228-T230 PolarHBondContact O-N 3.4Å; P228-I233 HydrophobicContact CG-CG2 3.91Å; P228-T245 HydrophobicContact CB-CG2 3.9Å; P228-T245 HydrophobicContact CG-CG2 4.04Å; P228-F247 HydrophobicContact CB-CE2 3.92Å; P228-L265 HydrophobicContact CG-CD1 4.45Å; P228-S266 WeakPolarHBondContact CD-O 3.39Å
229V97.2Very high94Very high2 Ų238.3 Ų38.31%0.01221%0.212CC..  trans-53.7130.8160.9-179.40000108.3P184 P196 A199 L204 Y231 G232P184-V229 HydrophobicContact CB-CG1 4.16Å; P184-V229 HydrophobicContact CB-CG2 4.4Å; P196-V229 HydrophobicContact CB-CB 4.13Å; P196-V229 HydrophobicContact CB-CG1 4.5Å; A199-V229 HydrophobicContact CB-CG2 3.66Å; L204-V229 HydrophobicContact CD1-CG2 3.9Å; V229-Y231 VanDerWaalsContact C-N 3.26Å; V229-Y231 HydrophobicContact CG1-CD1 3.68Å; V229-Y231 HydrophobicContact CG1-CE1 3.22Å; V229-Y231 HydrophobicContact CG1-CE2 4.42Å; V229-Y231 HydrophobicContact CG1-CG 4.42Å; V229-Y231 PolarHBondContact O-N 3.09Å; V229-G232 WeakPolarHBondContact O-CA 3.3Å; V229-G232 PolarHBondContact O-N 3.11Å
230T93.3Very high93.5Very high36 Ų3640.8 Ų40.822%0.22123%0.23CC..G310 helixtrans-49.9-42.2-164.7-45.30000113.6E181 P228 G232 I233 H268E181-T230 WeakPolarHBondContact CB-OG1 3.44Å; E181-T230 HydrophobicContact CG-CG2 4.33Å; E181-T230 WeakPolarHBondContact OE1-CG2 3.5Å; P228-T230 PolarHBondContact O-N 3.4Å; T230-G232 VanDerWaalsContact C-N 3.26Å; T230-G232 PolarHBondContact O-N 2.87Å; T230-I233 WeakPolarHBondContact O-CG1 3.32Å; T230-H268 HydrophobicContact CG2-CB 4.42Å
231Y94.2Very high93Very high89 Ų8935 Ų3535%0.34921%0.208SC..G310 helixtrans-80.2-2.5-17959.6-91.4000114.5P184 G194 P196 V229 I233 F234P184-Y231 WeakPolarHBondContact CB-OH 3.24Å; P184-Y231 HydrophobicContact CG-CE1 4.34Å; G194-Y231 WeakPolarHBondContact O-CE2 3.32Å; G194-Y231 PolarHBondContact O-OH 2.86Å; P196-Y231 HydrophobicContact CB-CD2 3.93Å; P196-Y231 HydrophobicContact CB-CE2 3.68Å; P196-Y231 HydrophobicContact CG-CD2 3.92Å; P196-Y231 HydrophobicContact CG-CE2 3.81Å; V229-Y231 VanDerWaalsContact C-N 3.26Å; V229-Y231 HydrophobicContact CG1-CD1 3.68Å; V229-Y231 HydrophobicContact CG1-CE1 3.22Å; V229-Y231 HydrophobicContact CG1-CE2 4.42Å; V229-Y231 HydrophobicContact CG1-CG 4.42Å; V229-Y231 PolarHBondContact O-N 3.09Å; Y231-I233 VanDerWaalsContact C-N 3.3Å; Y231-I233 PolarHBondContact O-N 3.07Å; Y231-F234 PolarHBondContact O-N 3.02Å
232G95.4Very high92.9Very high0 Ų036.8 Ų36.80%020%0.202CC..G310 helixtrans-62.5-34.3-18000000113.8V229 T230 F234 T235 G244V229-G232 WeakPolarHBondContact O-CA 3.3Å; V229-G232 PolarHBondContact O-N 3.11Å; T230-G232 VanDerWaalsContact C-N 3.26Å; T230-G232 PolarHBondContact O-N 2.87Å; G232-F234 VanDerWaalsContact C-N 3.28Å; G232-F234 PolarHBondContact O-N 2.85Å; G232-T235 PolarHBondContact O-N 3.19Å; G232-T235 PolarHBondContact O-OG1 2.87Å; G232-T235 VanDerWaalsContact O-OG1 3.07Å; G232-G244 CarbonylContact O-C 3.55Å; G232-G244 VanDerWaalsContact O-CA 3.32Å; G232-G244 WeakPolarHBondContact O-CA 3.25Å
233I95.4Very high92.8Very high2 Ų239 Ų391%0.0121%0.213CC..G310 helixtrans-69.4-21.4-179.851.585.3000113.7P228 T230 Y231 T235 T245 H268 V299 N302 V303P228-I233 HydrophobicContact CG-CG2 3.91Å; T230-I233 WeakPolarHBondContact O-CG1 3.32Å; Y231-I233 VanDerWaalsContact C-N 3.3Å; Y231-I233 PolarHBondContact O-N 3.07Å; I233-T235 VanDerWaalsContact C-N 3.28Å; I233-T235 PolarHBondContact O-N 2.81Å; I233-T245 HydrophobicContact CG2-CG2 4.44Å; I233-H268 WeakPolarHBondContact CD1-O 3.37Å; I233-V299 HydrophobicContact CB-CG1 4.36Å; I233-V299 HydrophobicContact CD1-CB 4.16Å; I233-V299 HydrophobicContact CD1-CG1 3.6Å; I233-V299 HydrophobicContact CD1-CG2 3.48Å; I233-V299 VanDerWaalsContact CD1-CG2 3.48Å; I233-V299 HydrophobicContact CG1-CG1 4.4Å; I233-N302 VanDerWaalsContact O-CB 3.32Å; I233-N302 WeakPolarHBondContact O-CB 3.43Å; I233-N302 PolarHBondContact O-ND2 2.86Å; I233-V303 HydrophobicContact CB-CG2 4.27Å; I233-V303 HydrophobicContact CG2-CG2 3.91Å
234F95Very high92.7Very high47 Ų4737.1 Ų37.121%0.20620%0.203CC..G310 helixtrans-77.3-15.7176.2-66-85.3000113Y231 G232 Y269 W272 L295 V299Y231-F234 PolarHBondContact O-N 3.02Å; G232-F234 VanDerWaalsContact C-N 3.28Å; G232-F234 PolarHBondContact O-N 2.85Å; F234-Y269 HydrophobicContact CE1-CD2 4.2Å; F234-Y269 HydrophobicContact CE1-CE2 4.11Å; F234-Y269 HydrophobicContact CZ-CD2 4.33Å; F234-W272 AromaticContact CE1-CD1 4Å; F234-L295 HydrophobicContact CD1-CD2 4.24Å; F234-V299 HydrophobicContact CD1-CG2 3.45Å; F234-V299 VanDerWaalsContact CD1-CG2 3.45Å; F234-V299 HydrophobicContact CE1-CG2 3.61Å; F234-V299 HydrophobicContact CG-CG2 3.99Å; F234-V299 HydrophobicContact CZ-CG2 4.27Å
235T92.8Very high92.6Very high35 Ų3537.3 Ų37.322%0.21521%0.205CC..SBendtrans-108.4138-177.164.20000111.1G232 I233 L243 G244 N302G232-T235 PolarHBondContact O-N 3.19Å; G232-T235 PolarHBondContact O-OG1 2.87Å; G232-T235 VanDerWaalsContact O-OG1 3.07Å; I233-T235 VanDerWaalsContact C-N 3.28Å; I233-T235 PolarHBondContact O-N 2.81Å; T235-L243 HydrophobicContact CG2-CD2 4.37Å; T235-G244 WeakPolarHBondContact O-CA 3.37Å; T235-G244 PolarHBondContact OG1-N 3.08Å; T235-N302 PolarHBondContact O-ND2 3.07Å
236P88.4Confident92.4Very high67 Ų6737.8 Ų37.844%0.43521%0.209SC..PPolyproline II helixtrans-66.7150179.728.9-34.8000110.9S238 L243 N302P236-S238 PolarHBondContact O-N 3.23Å; P236-S238 VanDerWaalsContact O-N 3.16Å; P236-L243 VanDerWaalsContact O-CB 3.24Å; P236-L243 WeakPolarHBondContact O-CB 3.39Å; P236-N302 WeakPolarHBondContact CA-OD1 3.23Å
237L82.9Confident92.3Very high63 Ų6338 Ų3833%0.3321%0.21SC..PPolyproline II helixtrans-55.6122.1167.9-66.2170.6000109.2K305L237-K305 HydrophobicContact CD1-CB 3.97Å
238S80.5Confident92.1Very high37 Ų3745 Ų4526%0.25924%0.237SC..PPolyproline II helixtrans-101.9152.8177.373.40000111.5P236 S240 G241 W242 L243P236-S238 PolarHBondContact O-N 3.23Å; P236-S238 VanDerWaalsContact O-N 3.16Å; S238-S240 PolarHBondContact O-N 3Å; S238-S240 PolarHBondContact OG-OG 3.37Å; S238-G241 PolarHBondContact O-N 3.33Å; S238-G241 PolarHBondContact OG-N 2.81Å; S238-W242 PolarHBondContact OG-N 2.97Å; S238-L243 PolarHBondContact OG-N 3.07Å
239T81.3Confident92Very high150 Ų15048.1 Ų48.192%0.9225%0.248SC*.THydrogen-bonded Turntrans-61.4-32.4172.549.90000112.2G241T239-G241 PolarHBondContact O-N 3.28Å
240S86.7Confident92.1Very high55 Ų5548 Ų4839%0.38525%0.247SC..THydrogen-bonded Turntrans-64.6-24.8172.662.40000113S238 W242S238-S240 PolarHBondContact O-N 3Å; S238-S240 PolarHBondContact OG-OG 3.37Å; S240-W242 PolarHBondContact O-N 3.41Å; S240-W242 PolarHBondContact OG-N 3.18Å
241G86.9Confident92.3Very high12 Ų1246.3 Ų46.312%0.12424%0.237CC..SBendtrans71.613.1-17300000113.9G197 Y198 S238 T239G197-G241 CarbonylContact C-O 3.55Å; G197-G241 WeakPolarHBondContact CA-O 3.45Å; Y198-G241 PolarHBondContact N-O 3.27Å; S238-G241 PolarHBondContact O-N 3.33Å; S238-G241 PolarHBondContact OG-N 2.81Å; T239-G241 PolarHBondContact O-N 3.28Å
242W91.8Very high92.5Very high118 Ų11842.4 Ų42.445%0.44722%0.223SC..SBendtrans-81.9-30.3175.7-60.5-11.4000111.6L192 F195 G197 Y198 S238 S240L192-W242 HydrophobicContact CD2-CZ2 4.46Å; F195-W242 CarbonylContact C-O 3.25Å; F195-W242 HydrophobicContact CB-CB 4.11Å; F195-W242 VanDerWaalsContact CB-O 3.27Å; F195-W242 WeakPolarHBondContact CB-O 3.16Å; F195-W242 HydrophobicContact CG-CB 4.31Å; G197-W242 WeakPolarHBondContact CA-O 3.37Å; G197-W242 PolarHBondContact N-O 3.45Å; Y198-W242 PolarHBondContact N-O 3.31Å; S238-W242 PolarHBondContact OG-N 2.97Å; S240-W242 PolarHBondContact O-N 3.41Å; S240-W242 PolarHBondContact OG-N 3.18Å
243L94.9Very high92.7Very high58 Ų5843.4 Ų43.430%0.30423%0.232SC..SBendtrans-101.6167.1177.1-58.8-177.9000111.7F195 T235 P236 S238F195-L243 HydrophobicContact CD1-CD2 4Å; T235-L243 HydrophobicContact CG2-CD2 4.37Å; P236-L243 VanDerWaalsContact O-CB 3.24Å; P236-L243 WeakPolarHBondContact O-CB 3.39Å; S238-L243 PolarHBondContact OG-N 3.07Å
244G96.1Very high92.7Very high2 Ų247.3 Ų47.32%0.02125%0.253CS..SBendtrans78.6-157.4-17500000112.8P196 G197 G232 T235 G246P196-G244 CarbonylContact C-O 3.52Å; G197-G244 WeakPolarHBondContact CA-O 3.39Å; G197-G244 PolarHBondContact N-O 3.23Å; G197-G244 VanDerWaalsContact N-O 3.13Å; G232-G244 CarbonylContact O-C 3.55Å; G232-G244 VanDerWaalsContact O-CA 3.32Å; G232-G244 WeakPolarHBondContact O-CA 3.25Å; T235-G244 WeakPolarHBondContact O-CA 3.37Å; T235-G244 PolarHBondContact OG1-N 3.08Å; G244-G246 VanDerWaalsContact C-N 3.34Å; G244-G246 PolarHBondContact O-N 3.22Å
245T96.6Very high92.8Very high5 Ų553 Ų533%0.03127%0.273CS..  trans-74.1-22.1-176.863.80000113.8G200 P228 I233 F247 L265 A306G200-T245 WeakPolarHBondContact CA-O 3.35Å; P228-T245 HydrophobicContact CB-CG2 3.9Å; P228-T245 HydrophobicContact CG-CG2 4.04Å; I233-T245 HydrophobicContact CG2-CG2 4.44Å; T245-F247 PolarHBondContact O-N 3.36Å; T245-F247 PolarHBondContact OG1-N 3.28Å; T245-L265 HydrophobicContact CG2-CD1 4.43Å; T245-L265 HydrophobicContact CG2-CD2 4.39Å; T245-A306 HydrophobicContact CG2-CB 3.99Å
246G95.5Very high93Very high9 Ų954.4 Ų54.49%0.09328%0.279CS..  trans78.5-11.4-175.500000115G197 G244G197-G246 VanDerWaalsContact CA-CA 3.49Å; G197-G246 WeakPolarHBondContact O-CA 3.37Å; G244-G246 VanDerWaalsContact C-N 3.34Å; G244-G246 PolarHBondContact O-N 3.22Å
247F96.2Very high93.3Very high5 Ų560.9 Ų60.92%0.02230%0.3CS..  trans-78.8125.2179.9-56.4-51.2000111.4G200 L204 L205 Y208 Y226 P228 T245 T310G200-F247 WeakPolarHBondContact O-CE1 3.39Å; L204-F247 HydrophobicContact CB-CE1 3.97Å; L204-F247 HydrophobicContact CB-CZ 4.05Å; L204-F247 HydrophobicContact CD1-CZ 4.23Å; L205-F247 HydrophobicContact CB-CD1 3.91Å; L205-F247 HydrophobicContact CB-CE1 4.01Å; L205-F247 HydrophobicContact CD1-CD1 4Å; L205-F247 HydrophobicContact CD1-CE1 4.48Å; L205-F247 HydrophobicContact CG-CD1 4.36Å; Y208-F247 HydrophobicContact CD2-CE1 4.2Å; Y208-F247 HydrophobicContact CD2-CZ 4.09Å; Y208-F247 HydrophobicContact CE2-CE1 4.3Å; Y208-F247 AromaticContact CE2-CZ 3.78Å; Y208-F247 HydrophobicContact CE2-CZ 3.78Å; Y226-F247 AromaticContact CD2-CD2 3.82Å; Y226-F247 HydrophobicContact CD2-CD2 3.82Å; Y226-F247 AromaticContact CD2-CE2 3.74Å; Y226-F247 HydrophobicContact CD2-CE2 3.74Å; Y226-F247 HydrophobicContact CD2-CG 4.45Å; Y226-F247 HydrophobicContact CD2-CZ 4.32Å; Y226-F247 AromaticContact CE2-CD2 3.68Å; Y226-F247 HydrophobicContact CE2-CD2 3.68Å; Y226-F247 HydrophobicContact CE2-CE2 4.08Å; Y226-F247 HydrophobicContact CE2-CG 4.23Å; P228-F247 HydrophobicContact CB-CE2 3.92Å; T245-F247 PolarHBondContact O-N 3.36Å; T245-F247 PolarHBondContact OG1-N 3.28Å; F247-T310 HydrophobicContact CB-CG2 3.83Å; F247-T310 WeakPolarHBondContact O-CG2 3.38Å
248R94.5Very high94Very high150 Ų15060.4 Ų60.457%0.56630%0.302SS*.SBendtrans-98.7-8.7173.1-68.3-172.8171.9-162.1-5.5113.6R201R201-R248 VanDerWaalsContact CZ-CZ 3.46Å; R201-R248 VanDerWaalsContact NH1-CZ 3.28Å
249R96.8Very high94.8Very high69 Ų6959 Ų5926%0.2629%0.293SS..SBendtrans-158.7162.4176.557.7178.5173.276.52.8107.7L205 D209 A253L205-R249 HydrophobicContact CD2-CG 4.48Å; D209-R249 VanDerWaalsContact CG-NH1 3.29Å; D209-R249 IonicContact OD1-CZ 3.5Å; D209-R249 IonicContact OD1-NH1 2.65Å; D209-R249 PolarHBondContact OD1-NH1 3.06Å; D209-R249 IonicContact OD1-NH2 2.83Å; D209-R249 IonicContact OD2-CZ 3.48Å; D209-R249 VanDerWaalsContact OD2-CZ 3.29Å; D209-R249 IonicContact OD2-NH1 3.95Å; D209-R249 PolarHBondContact OD2-NH1 3.47Å; D209-R249 VanDerWaalsContact OD2-NH1 3.12Å; D209-R249 IonicContact OD2-NH2 3.82Å; D209-R249 PolarHBondContact OD2-NH2 3.19Å; R249-A253 HydrophobicContact CB-CB 4.1Å; R249-A253 HydrophobicContact CG-CB 4.37Å
250V98.5Very high95.6Very high0 Ų053.6 Ų53.60%026%0.26CS..  trans-65.8153169.1-54.50000110.8Y226 A253 A259 P260 G311Y226-V250 HydrophobicContact CE1-CB 4.26Å; Y226-V250 HydrophobicContact CE1-CG1 4.03Å; V250-A253 HydrophobicContact CG2-CB 3.8Å; V250-A253 VanDerWaalsContact O-CB 3.31Å; V250-A253 WeakPolarHBondContact O-CB 3.32Å; V250-A253 PolarHBondContact O-N 3.01Å; V250-A259 HydrophobicContact CG2-CB 3.79Å; V250-P260 HydrophobicContact CG2-CB 4.38Å; V250-P260 HydrophobicContact CG2-CG 3.89Å; V250-G311 WeakPolarHBondContact CG1-O 3.21Å
251P98.6Very high96Very high0 Ų055.3 Ų55.30%027%0.272CS..THydrogen-bonded Turntrans-53.5139169.3-29.238.6000112.8L205 Y208 D209 V212 Y226 A253L205-P251 HydrophobicContact CD1-CG 4.31Å; Y208-P251 HydrophobicContact CD2-CG 3.91Å; Y208-P251 HydrophobicContact CG-CG 4.27Å; D209-P251 WeakPolarHBondContact OD1-CA 3.28Å; V212-P251 HydrophobicContact CG2-CB 3.74Å; Y226-P251 HydrophobicContact CD1-CG 4.31Å; Y226-P251 HydrophobicContact CD2-CG 4.09Å; Y226-P251 HydrophobicContact CG-CG 3.81Å; P251-A253 VanDerWaalsContact C-N 3.27Å; P251-A253 PolarHBondContact O-N 3.21Å
252G98.3Very high96.5Very high6 Ų657.3 Ų57.36%0.06228%0.277CS..THydrogen-bonded Turntrans82.5-12.6-178.200000115.4D209 N254 R255 D256D209-G252 PolarHBondContact OD1-N 3.01Å; G252-N254 VanDerWaalsContact C-OD1 3.31Å; G252-N254 PolarHBondContact O-N 2.98Å; G252-N254 VanDerWaalsContact O-N 3.13Å; G252-N254 PolarHBondContact O-OD1 3.22Å; G252-R255 PolarHBondContact O-N 2.64Å; G252-D256 PolarHBondContact O-N 3.04Å
253A97.9Very high96.8Very high22 Ų2251.9 Ų51.918%0.18226%0.258CS..THydrogen-bonded Turntrans-67.4-12.1-179.400000114.8R249 V250 P251 R255 D256 A259R249-A253 HydrophobicContact CB-CB 4.1Å; R249-A253 HydrophobicContact CG-CB 4.37Å; V250-A253 HydrophobicContact CG2-CB 3.8Å; V250-A253 VanDerWaalsContact O-CB 3.31Å; V250-A253 WeakPolarHBondContact O-CB 3.32Å; V250-A253 PolarHBondContact O-N 3.01Å; P251-A253 VanDerWaalsContact C-N 3.27Å; P251-A253 PolarHBondContact O-N 3.21Å; A253-R255 PolarHBondContact O-N 3.11Å; A253-D256 WeakPolarHBondContact CA-O 3.22Å; A253-A259 HydrophobicContact CB-CB 4.12Å
254N96.8Very high97Very high83 Ų8349.6 Ų49.644%0.44425%0.246SC..THydrogen-bonded Turntrans-67.5-22.4167.656.4-20.4000113.2D209 G252D209-N254 PolarHBondContact OD2-ND2 2.88Å; G252-N254 VanDerWaalsContact C-OD1 3.31Å; G252-N254 PolarHBondContact O-N 2.98Å; G252-N254 VanDerWaalsContact O-N 3.13Å; G252-N254 PolarHBondContact O-OD1 3.22Å
255R96.5Very high97.1Very high168 Ų16849.5 Ų49.563%0.63425%0.245SC*.THydrogen-bonded Turntrans-116.4-34.4-178.1-63.5-169.8178.5-153.114.7113.3E213 G252 A253E213-R255 VanDerWaalsContact CD-NH2 3.34Å; E213-R255 IonicContact OE1-CZ 3.21Å; E213-R255 IonicContact OE1-NH1 2.62Å; E213-R255 PolarHBondContact OE1-NH1 2.98Å; E213-R255 IonicContact OE1-NH2 3.32Å; E213-R255 PolarHBondContact OE1-NH2 2.66Å; E213-R255 IonicContact OE2-CZ 2.87Å; E213-R255 IonicContact OE2-NE 3.46Å; E213-R255 PolarHBondContact OE2-NE 3.43Å; E213-R255 IonicContact OE2-NH1 3.19Å; E213-R255 PolarHBondContact OE2-NH1 3.32Å; E213-R255 IonicContact OE2-NH2 2.72Å; E213-R255 PolarHBondContact OE2-NH2 3.25Å; G252-R255 PolarHBondContact O-N 2.64Å; A253-R255 PolarHBondContact O-N 3.11Å
256D96.8Very high97.2Very high64 Ų6449.3 Ų49.334%0.34224%0.244SC..  trans-123.7105.8179.2-178.5-1.8000110.1G252 A253 S258 A259G252-D256 PolarHBondContact O-N 3.04Å; A253-D256 WeakPolarHBondContact CA-O 3.22Å; D256-S258 VanDerWaalsContact CG-OG 3.23Å; D256-S258 PolarHBondContact O-N 2.84Å; D256-S258 VanDerWaalsContact O-N 3.12Å; D256-S258 WeakPolarHBondContact OD1-CA 3.3Å; D256-S258 WeakPolarHBondContact OD1-CB 3.41Å; D256-S258 PolarHBondContact OD1-N 2.88Å; D256-S258 PolarHBondContact OD1-OG 3.44Å; D256-S258 PolarHBondContact OD2-OG 3.1Å; D256-S258 VanDerWaalsContact OD2-OG 3.14Å; D256-A259 HydrophobicContact CB-CB 4.46Å; D256-A259 WeakPolarHBondContact O-CB 3.31Å; D256-A259 PolarHBondContact O-N 3.2Å
257K96Very high97.3Very high202 Ų20249 Ų4988%0.87824%0.24SC*.THydrogen-bonded Turntrans-63.1-17.8178.8-66.9-174.4179.3-179.80113.3A259 P260K257-A259 VanDerWaalsContact C-N 3.34Å; K257-P260 WeakPolarHBondContact O-CD 3.43Å
258S96.4Very high97.4Very high53 Ų5349 Ų4937%0.37124%0.24SC..THydrogen-bonded Turntrans-84.1-7.1174.277.80000113.3D256 P260 S261D256-S258 VanDerWaalsContact CG-OG 3.23Å; D256-S258 PolarHBondContact O-N 2.84Å; D256-S258 VanDerWaalsContact O-N 3.12Å; D256-S258 WeakPolarHBondContact OD1-CA 3.3Å; D256-S258 WeakPolarHBondContact OD1-CB 3.41Å; D256-S258 PolarHBondContact OD1-N 2.88Å; D256-S258 PolarHBondContact OD1-OG 3.44Å; D256-S258 PolarHBondContact OD2-OG 3.1Å; D256-S258 VanDerWaalsContact OD2-OG 3.14Å; S258-P260 VanDerWaalsContact C-N 3.26Å; S258-P260 VanDerWaalsContact O-N 3.08Å; S258-S261 PolarHBondContact O-N 3.4Å; S258-S261 PolarHBondContact O-OG 2.84Å
259A97.9Very high97.5Very high8 Ų842 Ų427%0.06621%0.214CC..G310 helixtrans-47.6-39.6-179.500000114.3V250 A253 D256 K257 S261 K262 S263V250-A259 HydrophobicContact CG2-CB 3.79Å; A253-A259 HydrophobicContact CB-CB 4.12Å; D256-A259 HydrophobicContact CB-CB 4.46Å; D256-A259 WeakPolarHBondContact O-CB 3.31Å; D256-A259 PolarHBondContact O-N 3.2Å; K257-A259 VanDerWaalsContact C-N 3.34Å; A259-S261 PolarHBondContact O-N 3.31Å; A259-S261 VanDerWaalsContact O-N 3.09Å; A259-K262 CarbonylContact O-C 3.43Å; A259-K262 PolarHBondContact O-N 3.49Å; A259-S263 PolarHBondContact O-N 2.99Å; A259-S263 PolarHBondContact O-OG 3.22Å; A259-S263 VanDerWaalsContact O-OG 3.09Å
260P97.7Very high97.3Very high36 Ų3640.8 Ų40.823%0.23421%0.209CC..G310 helixtrans-53-32.9175.7-28.936.5000114.4V250 K257 S258 K262 G312V250-P260 HydrophobicContact CG2-CB 4.38Å; V250-P260 HydrophobicContact CG2-CG 3.89Å; K257-P260 WeakPolarHBondContact O-CD 3.43Å; S258-P260 VanDerWaalsContact C-N 3.26Å; S258-P260 VanDerWaalsContact O-N 3.08Å; P260-K262 PolarHBondContact O-N 3.2Å; P260-K262 VanDerWaalsContact O-N 3.15Å; P260-G312 WeakPolarHBondContact O-CA 3.13Å
261S95.9Very high97Very high91 Ų9141 Ų4164%0.63621%0.211SC*.G310 helixtrans-72-6.1179.180.40000113.8S258 A259S258-S261 PolarHBondContact O-N 3.4Å; S258-S261 PolarHBondContact O-OG 2.84Å; A259-S261 PolarHBondContact O-N 3.31Å; A259-S261 VanDerWaalsContact O-N 3.09Å
262K96.7Very high96.5Very high54 Ų5448.3 Ų48.324%0.23524%0.239CC..G310 helixtrans-133.225.7-177.6-50.3179.3-165.4165.80112.1K220 L223 I224 A259 P260K220-K262 WeakPolarHBondContact O-CD 3.27Å; K220-K262 PolarHBondContact O-NZ 3.34Å; L223-K262 CarbonylContact C-O 3.47Å; L223-K262 WeakPolarHBondContact CA-O 3.44Å; L223-K262 HydrophobicContact CD2-CB 4.35Å; I224-K262 PolarHBondContact N-O 3.33Å; A259-K262 CarbonylContact O-C 3.43Å; A259-K262 PolarHBondContact O-N 3.49Å; P260-K262 PolarHBondContact O-N 3.2Å; P260-K262 VanDerWaalsContact O-N 3.15Å
263S98.4Very high96.1Very high4 Ų450 Ų503%0.02825%0.246CC..EExtended strand (participates in β ladder)trans-129.9141.7-178.5-68.60000110.5I224 A259 G312 G313I224-S263 CarbonylContact O-C 3.59Å; I224-S263 WeakPolarHBondContact O-CA 3.09Å; A259-S263 PolarHBondContact O-N 2.99Å; A259-S263 PolarHBondContact O-OG 3.22Å; A259-S263 VanDerWaalsContact O-OG 3.09Å; S263-G312 CarbonylContact O-C 3.56Å; S263-G312 WeakPolarHBondContact O-CA 3.12Å; S263-G313 PolarHBondContact O-N 3.42Å
264V98.6Very high95.6Very high10 Ų1049.8 Ų49.86%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-132.5122.7-176.6-176.90000108.2L223 I224 F225 Y226 S266 G313 F315L223-V264 HydrophobicContact CB-CG2 4.18Å; L223-V264 HydrophobicContact CD1-CG2 3.83Å; L223-V264 HydrophobicContact CG-CG2 4.43Å; I224-V264 PolarHBondContact O-N 3.1Å; F225-V264 WeakPolarHBondContact CA-O 3.28Å; F225-V264 HydrophobicContact CD1-CB 3.84Å; F225-V264 HydrophobicContact CD1-CG1 3.71Å; F225-V264 HydrophobicContact CD2-CB 4.48Å; F225-V264 HydrophobicContact CE1-CB 3.91Å; F225-V264 HydrophobicContact CE1-CG1 3.57Å; F225-V264 HydrophobicContact CE1-CG2 4.27Å; F225-V264 HydrophobicContact CE2-CG2 4.36Å; F225-V264 HydrophobicContact CG-CB 4.13Å; F225-V264 HydrophobicContact CG-CG1 4.49Å; F225-V264 HydrophobicContact CZ-CB 4.27Å; F225-V264 HydrophobicContact CZ-CG1 4.24Å; F225-V264 HydrophobicContact CZ-CG2 4.15Å; Y226-V264 WeakPolarHBondContact CD1-O 3.4Å; Y226-V264 VanDerWaalsContact CE1-O 3.27Å; Y226-V264 WeakPolarHBondContact CE1-O 3.44Å; Y226-V264 PolarHBondContact N-O 3.32Å; V264-S266 PolarHBondContact O-N 3.25Å; V264-S266 VanDerWaalsContact O-N 3.07Å; V264-G313 WeakPolarHBondContact CA-O 3.4Å; V264-F315 HydrophobicContact CG1-CB 3.55Å
265L98.6Very high94.9Very high1 Ų151.2 Ų51.21%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-68.9104.8167.6178.860000107.6Y226 P228 T245 V303 A306 T307 G313 R314 F315Y226-L265 HydrophobicContact CD2-CD1 4.24Å; Y226-L265 HydrophobicContact CE1-CB 4.45Å; Y226-L265 HydrophobicContact CE2-CB 4.4Å; Y226-L265 HydrophobicContact CE2-CD1 3.8Å; P228-L265 HydrophobicContact CG-CD1 4.45Å; T245-L265 HydrophobicContact CG2-CD1 4.43Å; T245-L265 HydrophobicContact CG2-CD2 4.39Å; L265-V303 HydrophobicContact CD2-CG1 4Å; L265-A306 HydrophobicContact CD2-CB 3.78Å; L265-T307 HydrophobicContact CB-CG2 3.75Å; L265-T307 HydrophobicContact CD2-CG2 3.9Å; L265-T307 HydrophobicContact CG-CG2 4.48Å; L265-G313 PolarHBondContact N-O 3.14Å; L265-R314 WeakPolarHBondContact O-CA 3.35Å; L265-F315 PolarHBondContact O-N 3.42Å
266S98.6Very high94.1Very high0 Ų050.6 Ų50.60%026%0.255CS..EExtended strand (participates in β ladder)trans-79.8129.9171.7-178.80000107.2D177 Y226 E227 P228 V264 T317D177-S266 PolarHBondContact OD2-OG 2.9Å; Y226-S266 PolarHBondContact O-N 2.64Å; E227-S266 VanDerWaalsContact CG-CB 3.48Å; E227-S266 VanDerWaalsContact CG-OG 3.32Å; E227-S266 WeakPolarHBondContact CG-OG 3.36Å; E227-S266 PolarHBondContact OE1-OG 2.9Å; P228-S266 WeakPolarHBondContact CD-O 3.39Å; V264-S266 PolarHBondContact O-N 3.25Å; V264-S266 VanDerWaalsContact O-N 3.07Å; S266-T317 WeakPolarHBondContact OG-CB 3.27Å; S266-T317 WeakPolarHBondContact OG-CG2 3.49Å; S266-T317 PolarHBondContact OG-OG1 3.24Å
267Y98.3Very high93.5Very high2 Ų249.4 Ų49.41%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-149.7152179.173.3-81000112.2V299 I300 V303 R314 F315 L316 T317 E348Y267-V299 HydrophobicContact CD2-CG1 4.2Å; Y267-V299 HydrophobicContact CE2-CG1 4.05Å; Y267-I300 HydrophobicContact CE2-CD1 4.23Å; Y267-I300 WeakPolarHBondContact OH-CD1 3.12Å; Y267-V303 HydrophobicContact CD1-CB 4.5Å; Y267-V303 HydrophobicContact CD1-CG1 3.74Å; Y267-V303 HydrophobicContact CD1-CG2 3.93Å; Y267-V303 HydrophobicContact CD2-CG2 3.74Å; Y267-V303 HydrophobicContact CE1-CB 4.36Å; Y267-V303 HydrophobicContact CE1-CG1 3.55Å; Y267-V303 HydrophobicContact CE1-CG2 4.11Å; Y267-V303 HydrophobicContact CE2-CG2 3.92Å; Y267-V303 HydrophobicContact CG-CG1 4.41Å; Y267-V303 HydrophobicContact CG-CG2 3.73Å; Y267-R314 HydrophobicContact CE1-CB 4.36Å; Y267-F315 WeakPolarHBondContact CD1-O 3.27Å; Y267-F315 VanDerWaalsContact CE1-C 3.49Å; Y267-F315 WeakPolarHBondContact CE1-O 3.2Å; Y267-F315 PolarHBondContact N-O 3.04Å; Y267-F315 VanDerWaalsContact N-O 3.14Å; Y267-L316 HydrophobicContact CD2-CD1 3.95Å; Y267-L316 HydrophobicContact CE1-CB 4.21Å; Y267-L316 HydrophobicContact CE2-CB 4.17Å; Y267-L316 HydrophobicContact CE2-CD1 3.59Å; Y267-L316 HydrophobicContact CE2-CG 4.44Å; Y267-L316 CarbonylContact O-C 3.12Å; Y267-L316 WeakPolarHBondContact O-CA 3.3Å; Y267-T317 PolarHBondContact N-OG1 3.02Å; Y267-T317 PolarHBondContact O-N 3.13Å; Y267-T317 PolarHBondContact O-OG1 2.94Å; Y267-E348 WeakPolarHBondContact CE1-OE1 3.05Å; Y267-E348 WeakPolarHBondContact OH-CG 3.39Å; Y267-E348 PolarHBondContact OH-OE1 3.38Å
268H97.1Very high92.9Very high6 Ų648.6 Ų48.63%0.02824%0.241CC..EExtended strand (participates in β ladder)trans-109150.1179.9-59-177.7000111N180 E181 E227 T230 I233 T317 E318N180-H268 PolarHBondContact OD1-CE1 2.88Å; N180-H268 VanDerWaalsContact OD1-CE1 3.31Å; E181-H268 WeakPolarHBondContact CG-ND1 3.22Å; E181-H268 IonicContact OE1-CE1 2.7Å; E181-H268 IonicContact OE1-ND1 3.73Å; E181-H268 PolarHBondContact OE1-ND1 3.49Å; E227-H268 IonicContact OE1-CE1 3.74Å; E227-H268 IonicContact OE1-NE2 3.44Å; E227-H268 PolarHBondContact OE1-NE2 2.57Å; E227-H268 IonicContact OE2-CE1 3.42Å; E227-H268 IonicContact OE2-NE2 3.88Å; T230-H268 HydrophobicContact CG2-CB 4.42Å; I233-H268 WeakPolarHBondContact CD1-O 3.37Å; H268-T317 PolarHBondContact CD2-OG1 2.93Å; H268-T317 VanDerWaalsContact CD2-OG1 3.28Å; H268-T317 PolarHBondContact NE2-OG1 3.02Å; H268-E318 CarbonylContact C-O 3.46Å; H268-E318 WeakPolarHBondContact CA-O 3.11Å; H268-E318 HydrophobicContact CB-CB 4.01Å; H268-E318 WeakPolarHBondContact CD2-CB 3.34Å; H268-E318 IonicContact CE1-OE2 2.67Å; H268-E318 PolarHBondContact CE1-OE2 3.46Å; H268-E318 IonicContact ND1-OE2 3.7Å; H268-E318 WeakPolarHBondContact NE2-CB 3.36Å; H268-E318 IonicContact NE2-OE2 3.51Å
269Y96.2Very high92.2Very high4 Ų450.3 Ų50.32%0.01624%0.243CC..  trans-132.9120.2170.1176.6-95000110.9F234 L296 V299 E318 F319 E335 V339F234-Y269 HydrophobicContact CE1-CD2 4.2Å; F234-Y269 HydrophobicContact CE1-CE2 4.11Å; F234-Y269 HydrophobicContact CZ-CD2 4.33Å; Y269-L296 HydrophobicContact CD1-CD1 3.92Å; Y269-L296 HydrophobicContact CD2-CD1 4.1Å; Y269-L296 HydrophobicContact CE1-CB 4.22Å; Y269-L296 HydrophobicContact CE1-CD1 3.88Å; Y269-L296 HydrophobicContact CE1-CG 4.49Å; Y269-L296 HydrophobicContact CE2-CB 3.9Å; Y269-L296 HydrophobicContact CE2-CD1 4.06Å; Y269-L296 HydrophobicContact CG-CD1 4.04Å; Y269-V299 HydrophobicContact CD2-CB 4.11Å; Y269-V299 HydrophobicContact CD2-CG1 4.1Å; Y269-V299 HydrophobicContact CD2-CG2 3.97Å; Y269-V299 HydrophobicContact CE2-CG2 4.27Å; Y269-E318 PolarHBondContact N-O 2.81Å; Y269-F319 WeakPolarHBondContact O-CA 3.23Å; Y269-F319 WeakPolarHBondContact O-CB 3.46Å; Y269-E335 VanDerWaalsContact CE1-OE1 3.27Å; Y269-E335 WeakPolarHBondContact CE1-OE1 3.08Å; Y269-V339 HydrophobicContact CD1-CG1 4.48Å; Y269-V339 HydrophobicContact CD1-CG2 3.63Å; Y269-V339 HydrophobicContact CE1-CG2 3.54Å
270Y93Very high91.6Very high42 Ų4255.3 Ų55.317%0.16527%0.269CS..  trans-133.3127166.7-69.3-76.7000108.6W272 E318 L321 W353Y270-W272 PolarHBondContact O-N 2.97Å; Y270-E318 HydrophobicContact CE2-CG 4.19Å; Y270-E318 VanDerWaalsContact CE2-OE1 3.3Å; Y270-E318 WeakPolarHBondContact CE2-OE1 3.47Å; Y270-E318 VanDerWaalsContact OH-CG 3.32Å; Y270-E318 WeakPolarHBondContact OH-CG 3.38Å; Y270-E318 PolarHBondContact OH-OE1 2.04Å; Y270-L321 HydrophobicContact CD1-CD1 4.32Å; Y270-L321 HydrophobicContact CE1-CD1 4.03Å; Y270-L321 HydrophobicContact CE1-CG 4.02Å; Y270-W353 VanDerWaalsContact OH-CB 3.23Å; Y270-W353 WeakPolarHBondContact OH-CB 3.4Å; Y270-W353 VanDerWaalsContact OH-CG 3.3Å
271C92.7Very high91.2Very high6 Ų655.3 Ų55.34%0.04127%0.27CS..  trans-69.796.2170.2-166.20000110I273 L274 C291 E335C271-I273 PolarHBondContact O-N 2.92Å; C271-L274 HydrophobicContact CB-CD1 3.83Å; C271-L274 HydrophobicContact CB-CG 3.99Å; C271-L274 WeakPolarHBondContact O-CB 3.49Å; C271-L274 PolarHBondContact O-N 3.12Å; C271-C291 HydrophobicContact CB-CB 3.79Å; C271-C291 WeakPolarHBondContact CB-SG 3.24Å; C271-C291 WeakPolarHBondContact SG-CB 3.42Å; C271-C291 CovalentContact SG-SG 2.04Å; C271-C291 PolarHBondContact SG-SG 3.5Å; C271-E335 WeakPolarHBondContact CB-OE1 3.41Å
272W88.1Confident91Very high153 Ų15355.5 Ų55.558%0.5827%0.267SS*.G310 helixtrans-56.9-20.1178.856.2-66.2000114.5F234 Y270 L274 Q275F234-W272 AromaticContact CE1-CD1 4Å; Y270-W272 PolarHBondContact O-N 2.97Å; W272-L274 PolarHBondContact O-N 3.07Å; W272-Q275 PolarHBondContact O-N 3.32Å
273I89.3Confident90.8Very high40 Ų4053.5 Ų53.521%0.20526%0.259CS..G310 helixtrans-66.2-28.9172.2-59.1175.4000111.6C271 W286 K287 L290 L295C271-I273 PolarHBondContact O-N 2.92Å; I273-W286 HydrophobicContact CG2-CH2 4.34Å; I273-W286 HydrophobicContact CG2-CZ3 4.17Å; I273-K287 HydrophobicContact CG2-CB 4.37Å; I273-K287 HydrophobicContact CG2-CD 4.02Å; I273-K287 HydrophobicContact CG2-CG 3.89Å; I273-L290 HydrophobicContact CD1-CB 3.49Å; I273-L290 VanDerWaalsContact CD1-CB 3.49Å; I273-L290 HydrophobicContact CD1-CD1 3.72Å; I273-L290 HydrophobicContact CD1-CG 4.22Å; I273-L295 HydrophobicContact CD1-CD1 3.58Å; I273-L295 HydrophobicContact CG1-CD1 3.99Å
274L89.1Confident90.5Very high18 Ų1855.5 Ų55.59%0.09427%0.272CS..G310 helixtrans-90.2-9.3-176.7-56.9177000113.7C271 W272 N276 D277 M283 K287 C291 V331 E335C271-L274 HydrophobicContact CB-CD1 3.83Å; C271-L274 HydrophobicContact CB-CG 3.99Å; C271-L274 WeakPolarHBondContact O-CB 3.49Å; C271-L274 PolarHBondContact O-N 3.12Å; W272-L274 PolarHBondContact O-N 3.07Å; L274-N276 PolarHBondContact O-N 3.15Å; L274-D277 WeakPolarHBondContact CA-OD2 3.14Å; L274-D277 PolarHBondContact O-N 3.09Å; L274-M283 HydrophobicContact CD1-CE 3.58Å; L274-M283 HydrophobicContact CD2-CE 3.96Å; L274-M283 HydrophobicContact CD2-CG 4.48Å; L274-M283 HydrophobicContact CG-CE 4.44Å; L274-K287 HydrophobicContact CD2-CB 4.13Å; L274-K287 HydrophobicContact CD2-CD 4.07Å; L274-C291 VanDerWaalsContact CG-SG 3.58Å; L274-V331 HydrophobicContact CB-CG1 4.33Å; L274-V331 HydrophobicContact CD1-CG1 4.06Å; L274-V331 HydrophobicContact CD2-CG1 4.17Å; L274-V331 HydrophobicContact CG-CG1 4.41Å; L274-E335 HydrophobicContact CD1-CB 4.02Å; L274-E335 HydrophobicContact CD1-CG 3.9Å; L274-E335 VanDerWaalsContact CD1-OE2 3.27Å; L274-E335 WeakPolarHBondContact CD1-OE2 3.09Å
275Q80.6Confident90.2Very high114 Ų11462.9 Ų62.953%0.53330%0.303SS..THydrogen-bonded Turntrans-57.9-23.3-172.4-82.31797.900114.8W272W272-Q275 PolarHBondContact O-N 3.32Å
276N81.1Confident90Very high155 Ų15569.9 Ų69.983%0.82933%0.33SS*.THydrogen-bonded Turntrans-104.51.7179.6-63.6-64.4000113.4L274L274-N276 PolarHBondContact O-N 3.15Å
277D84.3Confident89.8Confident38 Ų3871.2 Ų71.220%0.20334%0.336CS..SBendtrans-83.4147.5178-68.8-74.3000111.2L274 Q279 K287 V331L274-D277 WeakPolarHBondContact CA-OD2 3.14Å; L274-D277 PolarHBondContact O-N 3.09Å; D277-Q279 PolarHBondContact O-N 2.89Å; D277-K287 IonicContact OD1-NZ 3.62Å; D277-K287 PolarHBondContact OD1-NZ 3.09Å; D277-K287 IonicContact OD2-NZ 2.79Å; D277-K287 PolarHBondContact OD2-NZ 3.47Å; D277-V331 HydrophobicContact CB-CG2 4.27Å
278Y83.2Confident89.5Confident185 Ų18574.6 Ų74.673%0.72535%0.35SS*.  trans-69.2122.5164.1-66.1-76.1000108.4N280 S281Y278-N280 PolarHBondContact O-N 2.95Å; Y278-N280 VanDerWaalsContact O-N 3.15Å; Y278-S281 VanDerWaalsContact O-CB 3.27Å; Y278-S281 WeakPolarHBondContact O-CB 3.37Å; Y278-S281 PolarHBondContact O-N 2.84Å; Y278-S281 PolarHBondContact O-OG 2.71Å
279Q81.3Confident89.4Confident89 Ų8977 Ų7742%0.41637%0.366SS..THydrogen-bonded Turntrans-49.6-39.7-178.8-86.2178.8-19.700114.1D277 S281 L321 V331 N332D277-Q279 PolarHBondContact O-N 2.89Å; Q279-S281 VanDerWaalsContact C-N 3.33Å; Q279-S281 PolarHBondContact O-N 3.43Å; Q279-L321 PolarHBondContact NE2-O 2.86Å; Q279-V331 PolarHBondContact O-N 3.07Å; Q279-N332 WeakPolarHBondContact CB-OD1 3.38Å; Q279-N332 WeakPolarHBondContact CG-OD1 3.23Å; Q279-N332 VanDerWaalsContact O-CB 3.26Å; Q279-N332 WeakPolarHBondContact O-CB 3.33Å; Q279-N332 PolarHBondContact O-N 3.44Å
280N84.4Confident89.3Confident113 Ų11380 Ų8060%0.60438%0.381SS*.THydrogen-bonded Turntrans-84.2-1179.966.2-6.1000114.9Y278 D325Y278-N280 PolarHBondContact O-N 2.95Å; Y278-N280 VanDerWaalsContact O-N 3.15Å; N280-D325 WeakPolarHBondContact CA-OD2 3.41Å
281S89.9Confident89.4Confident37 Ų3778 Ų7826%0.25937%0.373SS..SBendtrans-77.7152.317970.70000111.3Y278 Q279 M283 S330 V331Y278-S281 VanDerWaalsContact O-CB 3.27Å; Y278-S281 WeakPolarHBondContact O-CB 3.37Å; Y278-S281 PolarHBondContact O-N 2.84Å; Y278-S281 PolarHBondContact O-OG 2.71Å; Q279-S281 VanDerWaalsContact C-N 3.33Å; Q279-S281 PolarHBondContact O-N 3.43Å; S281-M283 PolarHBondContact O-N 2.03Å; S281-S330 CarbonylContact O-C 3.27Å; S281-S330 VanDerWaalsContact O-CA 3.25Å; S281-S330 WeakPolarHBondContact O-CA 3.35Å; S281-V331 WeakPolarHBondContact O-CG2 3.37Å; S281-V331 PolarHBondContact O-N 3.29Å
282T92.1Very high89.4Confident95 Ų9578.9 Ų78.958%0.58338%0.378SS*.BIsolated β-bridgetrans-62.9125.5174-580000110.3P284 S329T282-P284 VanDerWaalsContact O-CD 3.29Å; T282-P284 WeakPolarHBondContact O-CD 3.45Å; T282-S329 WeakPolarHBondContact CA-O 3.34Å
283M91.3Very high89.5Confident12 Ų1275.5 Ų75.56%0.05938%0.378CS..PPolyproline II helixtrans-67.9122.2-179.7-168.1-176.9-8300110.6L274 S281 F285 K287 K288 S329 V331 L334 E335L274-M283 HydrophobicContact CD1-CE 3.58Å; L274-M283 HydrophobicContact CD2-CE 3.96Å; L274-M283 HydrophobicContact CD2-CG 4.48Å; L274-M283 HydrophobicContact CG-CE 4.44Å; S281-M283 PolarHBondContact O-N 2.03Å; M283-F285 PolarHBondContact O-N 3.32Å; M283-K287 HydrophobicContact CG-CB 4.36Å; M283-K288 HydrophobicContact CG-CB 4.26Å; M283-K288 VanDerWaalsContact SD-CA 3.52Å; M283-K288 HydrophobicContact SD-CB 3.57Å; M283-K288 VanDerWaalsContact SD-CB 3.57Å; M283-K288 HydrophobicContact SD-CG 3.95Å; M283-S329 PolarHBondContact N-O 3.41Å; M283-V331 HydrophobicContact CB-CG2 3.79Å; M283-V331 HydrophobicContact CE-CB 4.28Å; M283-V331 HydrophobicContact CE-CG1 4.06Å; M283-V331 HydrophobicContact CE-CG2 4.4Å; M283-V331 HydrophobicContact CG-CG2 4.03Å; M283-L334 HydrophobicContact CB-CD1 3.77Å; M283-L334 HydrophobicContact CE-CB 4.11Å; M283-L334 HydrophobicContact SD-CB 4.26Å; M283-L334 HydrophobicContact SD-CD1 4.44Å; M283-E335 HydrophobicContact CE-CB 4.04Å
284P92.2Very high89.7Confident45 Ų4579.5 Ų79.529%0.29239%0.394SS..PPolyproline II helixtrans-60.1136173-22.633.5000111.2T282 W286 K287 K288T282-P284 VanDerWaalsContact O-CD 3.29Å; T282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-W286 VanDerWaalsContact C-N 3.26Å; P284-W286 PolarHBondContact O-N 3.45Å; P284-W286 VanDerWaalsContact O-N 3.14Å; P284-K287 HydrophobicContact CB-CG 4.27Å; P284-K287 HydrophobicContact CG-CD 4.13Å; P284-K287 HydrophobicContact CG-CG 4.36Å; P284-K287 WeakPolarHBondContact O-CB 3.36Å; P284-K287 PolarHBondContact O-N 3.18Å; P284-K288 PolarHBondContact O-N 2.89Å; P284-K288 VanDerWaalsContact O-N 3.08Å
285F93Very high90Very high165 Ų16579.5 Ų79.572%0.72439%0.393SS*.Hα-helixtrans-51.5-42.6-177.2172.6-102.4000113.5M283 K287 K288 V289M283-F285 PolarHBondContact O-N 3.32Å; F285-K287 VanDerWaalsContact C-N 3.33Å; F285-K287 PolarHBondContact O-N 3.11Å; F285-K288 WeakPolarHBondContact O-CB 3.49Å; F285-K288 PolarHBondContact O-N 2.87Å; F285-V289 HydrophobicContact CD1-CG2 4.34Å; F285-V289 HydrophobicContact CD2-CG2 4.37Å; F285-V289 HydrophobicContact CE1-CG2 3.82Å; F285-V289 HydrophobicContact CE2-CG2 3.86Å; F285-V289 HydrophobicContact CZ-CG2 3.56Å; F285-V289 WeakPolarHBondContact O-CG2 3.34Å; F285-V289 PolarHBondContact O-N 3.36Å
286W94.2Very high90.7Very high148 Ų14874.2 Ų74.256%0.56137%0.369SS*.Hα-helixtrans-66.9-32.4-179.870.4-93.3000112.8I273 P284 L290I273-W286 HydrophobicContact CG2-CH2 4.34Å; I273-W286 HydrophobicContact CG2-CZ3 4.17Å; P284-W286 VanDerWaalsContact C-N 3.26Å; P284-W286 PolarHBondContact O-N 3.45Å; P284-W286 VanDerWaalsContact O-N 3.14Å; W286-L290 HydrophobicContact CE3-CD1 3.62Å; W286-L290 HydrophobicContact CZ3-CD1 3.7Å; W286-L290 WeakPolarHBondContact O-CG 3.42Å; W286-L290 PolarHBondContact O-N 2.7Å; W286-L290 VanDerWaalsContact O-N 3.11Å
287K94.3Very high91.3Very high29 Ų2968.7 Ų68.713%0.12634%0.341CS..Hα-helixtrans-69.2-45174.1-68.4-167.6177.2-175.60110.4I273 L274 D277 M283 P284 F285 V289 L290 C291I273-K287 HydrophobicContact CG2-CB 4.37Å; I273-K287 HydrophobicContact CG2-CD 4.02Å; I273-K287 HydrophobicContact CG2-CG 3.89Å; L274-K287 HydrophobicContact CD2-CB 4.13Å; L274-K287 HydrophobicContact CD2-CD 4.07Å; D277-K287 IonicContact OD1-NZ 3.62Å; D277-K287 PolarHBondContact OD1-NZ 3.09Å; D277-K287 IonicContact OD2-NZ 2.79Å; D277-K287 PolarHBondContact OD2-NZ 3.47Å; M283-K287 HydrophobicContact CG-CB 4.36Å; P284-K287 HydrophobicContact CB-CG 4.27Å; P284-K287 HydrophobicContact CG-CD 4.13Å; P284-K287 HydrophobicContact CG-CG 4.36Å; P284-K287 WeakPolarHBondContact O-CB 3.36Å; P284-K287 PolarHBondContact O-N 3.18Å; F285-K287 VanDerWaalsContact C-N 3.33Å; F285-K287 PolarHBondContact O-N 3.11Å; K287-V289 VanDerWaalsContact C-N 3.31Å; K287-V289 PolarHBondContact O-N 2.97Å; K287-L290 PolarHBondContact O-N 3.44Å; K287-L290 VanDerWaalsContact O-N 3.09Å; K287-C291 PolarHBondContact O-N 3.2Å; K287-C291 PolarHBondContact O-SG 3.02Å
288K92.7Very high91.9Very high73 Ų7368.9 Ų68.932%0.31734%0.344SS..Hα-helixtrans-53.1-47.7173.4-170-171-175.2-51.20111.7M283 P284 F285 L290 D292M283-K288 HydrophobicContact CG-CB 4.26Å; M283-K288 VanDerWaalsContact SD-CA 3.52Å; M283-K288 HydrophobicContact SD-CB 3.57Å; M283-K288 VanDerWaalsContact SD-CB 3.57Å; M283-K288 HydrophobicContact SD-CG 3.95Å; P284-K288 PolarHBondContact O-N 2.89Å; P284-K288 VanDerWaalsContact O-N 3.08Å; F285-K288 WeakPolarHBondContact O-CB 3.49Å; F285-K288 PolarHBondContact O-N 2.87Å; K288-L290 PolarHBondContact O-N 3.44Å; K288-D292 WeakPolarHBondContact CE-OD2 3.41Å; K288-D292 WeakPolarHBondContact CG-OD2 3.44Å; K288-D292 IonicContact NZ-OD2 2.69Å; K288-D292 PolarHBondContact NZ-OD2 3.17Å; K288-D292 VanDerWaalsContact O-CB 3.23Å; K288-D292 WeakPolarHBondContact O-CB 3.37Å; K288-D292 PolarHBondContact O-N 2.84Å
289V94Very high92.5Very high57 Ų5760.1 Ų60.135%0.34531%0.31SS..Iπ-helixtrans-61.7-43.8177.2171.90000111.6F285 K287 S293 F294F285-V289 HydrophobicContact CD1-CG2 4.34Å; F285-V289 HydrophobicContact CD2-CG2 4.37Å; F285-V289 HydrophobicContact CE1-CG2 3.82Å; F285-V289 HydrophobicContact CE2-CG2 3.86Å; F285-V289 HydrophobicContact CZ-CG2 3.56Å; F285-V289 WeakPolarHBondContact O-CG2 3.34Å; F285-V289 PolarHBondContact O-N 3.36Å; K287-V289 VanDerWaalsContact C-N 3.31Å; K287-V289 PolarHBondContact O-N 2.97Å; V289-S293 WeakPolarHBondContact O-CA 3.26Å; V289-S293 WeakPolarHBondContact O-CB 3.49Å; V289-S293 PolarHBondContact O-N 3.15Å; V289-F294 PolarHBondContact O-N 3.47Å
290L94.5Very high93.2Very high66 Ų6656 Ų5635%0.34629%0.291SS..Iπ-helixtrans-68.3-41.9-179.7-70.6175.7000113.1I273 W286 K287 K288 F294 L295I273-L290 HydrophobicContact CD1-CB 3.49Å; I273-L290 VanDerWaalsContact CD1-CB 3.49Å; I273-L290 HydrophobicContact CD1-CD1 3.72Å; I273-L290 HydrophobicContact CD1-CG 4.22Å; W286-L290 HydrophobicContact CE3-CD1 3.62Å; W286-L290 HydrophobicContact CZ3-CD1 3.7Å; W286-L290 WeakPolarHBondContact O-CG 3.42Å; W286-L290 PolarHBondContact O-N 2.7Å; W286-L290 VanDerWaalsContact O-N 3.11Å; K287-L290 PolarHBondContact O-N 3.44Å; K287-L290 VanDerWaalsContact O-N 3.09Å; K288-L290 PolarHBondContact O-N 3.44Å; L290-F294 WeakPolarHBondContact O-CB 3.32Å; L290-L295 WeakPolarHBondContact O-CB 3.44Å; L290-L295 WeakPolarHBondContact O-CG 3.41Å; L290-L295 PolarHBondContact O-N 2.9Å
291C94.3Very high93.8Very high0 Ų053 Ų530%028%0.278CS..Iπ-helixtrans-70.6-61.3177.5-61.60000110.6C271 L274 K287 L295 L296C271-C291 HydrophobicContact CB-CB 3.79Å; C271-C291 WeakPolarHBondContact CB-SG 3.24Å; C271-C291 WeakPolarHBondContact SG-CB 3.42Å; C271-C291 CovalentContact SG-SG 2.04Å; C271-C291 PolarHBondContact SG-SG 3.5Å; L274-C291 VanDerWaalsContact CG-SG 3.58Å; K287-C291 PolarHBondContact O-N 3.2Å; K287-C291 PolarHBondContact O-SG 3.02Å; C291-L295 PolarHBondContact O-N 2.95Å; C291-L296 WeakPolarHBondContact O-CB 3.33Å; C291-L296 PolarHBondContact O-N 3.25Å
292D92.8Very high94.1Very high25 Ų2551.7 Ų51.713%0.13427%0.268CS..Iπ-helixtrans-74-38.9-169.2-53.15.6000112.8K288 P297 A338K288-D292 WeakPolarHBondContact CE-OD2 3.41Å; K288-D292 WeakPolarHBondContact CG-OD2 3.44Å; K288-D292 IonicContact NZ-OD2 2.69Å; K288-D292 PolarHBondContact NZ-OD2 3.17Å; K288-D292 VanDerWaalsContact O-CB 3.23Å; K288-D292 WeakPolarHBondContact O-CB 3.37Å; K288-D292 PolarHBondContact O-N 2.84Å; D292-P297 WeakPolarHBondContact O-CD 3.29Å; D292-P297 VanDerWaalsContact O-CG 3.25Å; D292-P297 WeakPolarHBondContact O-CG 3.15Å; D292-A338 HydrophobicContact CB-CB 4.2Å
293S91.9Very high94.3Very high82 Ų8247.1 Ų47.157%0.57324%0.241SC*.Iπ-helixtrans-100.5-13.3-170.4-500000113.5V289V289-S293 WeakPolarHBondContact O-CA 3.26Å; V289-S293 WeakPolarHBondContact O-CB 3.49Å; V289-S293 PolarHBondContact O-N 3.15Å
294F93.1Very high94.6Very high124 Ų12448.2 Ų48.254%0.54425%0.246SC..Iπ-helixtrans-124.1-63.4-178.4-173.6-97.1000112.9V289 L290 T298V289-F294 PolarHBondContact O-N 3.47Å; L290-F294 WeakPolarHBondContact O-CB 3.32Å; F294-T298 WeakPolarHBondContact O-CB 3.34Å; F294-T298 PolarHBondContact O-N 3.12Å; F294-T298 VanDerWaalsContact O-N 3.08Å; F294-T298 PolarHBondContact O-OG1 2.91Å
295L94.6Very high94.8Very high17 Ų1750.9 Ų50.99%0.08925%0.253CS..Iπ-helixtrans-66.5-54.3-172.5-73.3174.4000112.2F234 I273 L290 C291 T298 V299F234-L295 HydrophobicContact CD1-CD2 4.24Å; I273-L295 HydrophobicContact CD1-CD1 3.58Å; I273-L295 HydrophobicContact CG1-CD1 3.99Å; L290-L295 WeakPolarHBondContact O-CB 3.44Å; L290-L295 WeakPolarHBondContact O-CG 3.41Å; L290-L295 PolarHBondContact O-N 2.9Å; C291-L295 PolarHBondContact O-N 2.95Å; L295-T298 WeakPolarHBondContact O-CB 3.47Å; L295-T298 PolarHBondContact O-N 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.35Å; L295-V299 PolarHBondContact O-N 3.12Å
296L95.3Very high94.9Very high4 Ų443.1 Ų43.12%0.02122%0.219CC..Hα-helixtrans-59.8-51.6-178173.763.1000112.2Y269 C291 T298 V299 I300 A338 V339 E342Y269-L296 HydrophobicContact CD1-CD1 3.92Å; Y269-L296 HydrophobicContact CD2-CD1 4.1Å; Y269-L296 HydrophobicContact CE1-CB 4.22Å; Y269-L296 HydrophobicContact CE1-CD1 3.88Å; Y269-L296 HydrophobicContact CE1-CG 4.49Å; Y269-L296 HydrophobicContact CE2-CB 3.9Å; Y269-L296 HydrophobicContact CE2-CD1 4.06Å; Y269-L296 HydrophobicContact CG-CD1 4.04Å; C291-L296 WeakPolarHBondContact O-CB 3.33Å; C291-L296 PolarHBondContact O-N 3.25Å; L296-T298 VanDerWaalsContact C-N 3.26Å; L296-T298 PolarHBondContact O-N 3.17Å; L296-V299 PolarHBondContact O-N 2.97Å; L296-I300 HydrophobicContact CD1-CG1 4.18Å; L296-I300 WeakPolarHBondContact O-CG1 3.24Å; L296-I300 PolarHBondContact O-N 3.3Å; L296-A338 HydrophobicContact CD2-CB 4.3Å; L296-A338 WeakPolarHBondContact CD2-O 3.34Å; L296-V339 HydrophobicContact CD1-CG2 4.45Å; L296-V339 HydrophobicContact CD2-CG2 4.2Å; L296-E342 HydrophobicContact CD2-CB 3.71Å; L296-E342 HydrophobicContact CD2-CG 4.25Å; L296-E342 HydrophobicContact CG-CB 4.04Å; L296-E342 HydrophobicContact CG-CG 4.05Å
297P94.8Very high95Very high38 Ų3836.9 Ų36.925%0.24720%0.198CC..Hα-helixtrans-61.6-33.6176.1-25.335.4000113.2D292 S301D292-P297 WeakPolarHBondContact O-CD 3.29Å; D292-P297 VanDerWaalsContact O-CG 3.25Å; D292-P297 WeakPolarHBondContact O-CG 3.15Å; P297-S301 WeakPolarHBondContact O-CB 3.27Å; P297-S301 PolarHBondContact O-N 3.48Å
298T95.2Very high95.1Very high43 Ų4343.6 Ų43.626%0.26423%0.227SC..Hα-helixtrans-65.1-45.5176-65.70000111.1F294 L295 L296 S301 N302F294-T298 WeakPolarHBondContact O-CB 3.34Å; F294-T298 PolarHBondContact O-N 3.12Å; F294-T298 VanDerWaalsContact O-N 3.08Å; F294-T298 PolarHBondContact O-OG1 2.91Å; L295-T298 WeakPolarHBondContact O-CB 3.47Å; L295-T298 PolarHBondContact O-N 3.31Å; L296-T298 VanDerWaalsContact C-N 3.26Å; L296-T298 PolarHBondContact O-N 3.17Å; T298-S301 PolarHBondContact O-N 3.18Å; T298-N302 WeakPolarHBondContact O-CB 3.46Å; T298-N302 PolarHBondContact O-N 3.18Å; T298-N302 PolarHBondContact O-ND2 3.29Å
299V96.9Very high95.2Very high0 Ų044.2 Ų44.20%024%0.237CC..Hα-helixtrans-58.9-52.51761630000110.9I233 F234 Y267 Y269 L295 L296 S301 N302 V303I233-V299 HydrophobicContact CB-CG1 4.36Å; I233-V299 HydrophobicContact CD1-CB 4.16Å; I233-V299 HydrophobicContact CD1-CG1 3.6Å; I233-V299 HydrophobicContact CD1-CG2 3.48Å; I233-V299 VanDerWaalsContact CD1-CG2 3.48Å; I233-V299 HydrophobicContact CG1-CG1 4.4Å; F234-V299 HydrophobicContact CD1-CG2 3.45Å; F234-V299 VanDerWaalsContact CD1-CG2 3.45Å; F234-V299 HydrophobicContact CE1-CG2 3.61Å; F234-V299 HydrophobicContact CG-CG2 3.99Å; F234-V299 HydrophobicContact CZ-CG2 4.27Å; Y267-V299 HydrophobicContact CD2-CG1 4.2Å; Y267-V299 HydrophobicContact CE2-CG1 4.05Å; Y269-V299 HydrophobicContact CD2-CB 4.11Å; Y269-V299 HydrophobicContact CD2-CG1 4.1Å; Y269-V299 HydrophobicContact CD2-CG2 3.97Å; Y269-V299 HydrophobicContact CE2-CG2 4.27Å; L295-V299 WeakPolarHBondContact O-CG2 3.35Å; L295-V299 PolarHBondContact O-N 3.12Å; L296-V299 PolarHBondContact O-N 2.97Å; V299-S301 VanDerWaalsContact C-N 3.3Å; V299-S301 PolarHBondContact O-N 2.95Å; V299-N302 PolarHBondContact O-N 3.2Å; V299-N302 VanDerWaalsContact O-N 3.08Å; V299-V303 HydrophobicContact CG1-CG2 4.42Å; V299-V303 WeakPolarHBondContact O-CG2 3.43Å; V299-V303 PolarHBondContact O-N 3.01Å
300I96.3Very high95.3Very high4 Ų442 Ų422%0.02122%0.223CC..Hα-helixtrans-59.7-43.1179.9-62.4-61.5000110.9Y267 L296 N302 V303 I304 E342 H346Y267-I300 HydrophobicContact CE2-CD1 4.23Å; Y267-I300 WeakPolarHBondContact OH-CD1 3.12Å; L296-I300 HydrophobicContact CD1-CG1 4.18Å; L296-I300 WeakPolarHBondContact O-CG1 3.24Å; L296-I300 PolarHBondContact O-N 3.3Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 3.36Å; I300-V303 PolarHBondContact O-N 2.87Å; I300-I304 HydrophobicContact CG2-CD1 3.84Å; I300-I304 HydrophobicContact CG2-CG1 4.47Å; I300-I304 WeakPolarHBondContact O-CB 3.31Å; I300-I304 VanDerWaalsContact O-CG1 3.25Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 2.91Å; I300-E342 HydrophobicContact CG1-CG 3.96Å; I300-H346 HydrophobicContact CG2-CB 4.13Å
301S96.2Very high95.3Very high49 Ų4940 Ų4034%0.34322%0.219SC..Hα-helixtrans-59.9-42.3175.2-170.60000112.5P297 T298 V299 I304 K305P297-S301 WeakPolarHBondContact O-CB 3.27Å; P297-S301 PolarHBondContact O-N 3.48Å; T298-S301 PolarHBondContact O-N 3.18Å; V299-S301 VanDerWaalsContact C-N 3.3Å; V299-S301 PolarHBondContact O-N 2.95Å; S301-I304 PolarHBondContact O-N 3.09Å; S301-K305 VanDerWaalsContact O-CG 3.26Å; S301-K305 WeakPolarHBondContact O-CG 3.22Å; S301-K305 PolarHBondContact O-N 3.01Å; S301-K305 WeakPolarHBondContact OG-CE 3.14Å; S301-K305 PolarHBondContact OG-NZ 2.96Å
302N96.7Very high95.4Very high9 Ų941.8 Ų41.85%0.04824%0.237CC..Hα-helixtrans-68.1-42.1179.5-70.7-21.9000111.9I233 T235 P236 T298 V299 I300 K305 A306I233-N302 VanDerWaalsContact O-CB 3.32Å; I233-N302 WeakPolarHBondContact O-CB 3.43Å; I233-N302 PolarHBondContact O-ND2 2.86Å; T235-N302 PolarHBondContact O-ND2 3.07Å; P236-N302 WeakPolarHBondContact CA-OD1 3.23Å; T298-N302 WeakPolarHBondContact O-CB 3.46Å; T298-N302 PolarHBondContact O-N 3.18Å; T298-N302 PolarHBondContact O-ND2 3.29Å; V299-N302 PolarHBondContact O-N 3.2Å; V299-N302 VanDerWaalsContact O-N 3.08Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 3.36Å; N302-K305 PolarHBondContact O-N 3.39Å; N302-A306 WeakPolarHBondContact O-CB 3.36Å; N302-A306 PolarHBondContact O-N 3.26Å
303V97Very high95.6Very high0 Ų042.1 Ų42.10%025%0.247CC..Hα-helixtrans-62.4-43.3175171.50000111.1I233 L265 Y267 V299 I300 K305 A306 T307 R314I233-V303 HydrophobicContact CB-CG2 4.27Å; I233-V303 HydrophobicContact CG2-CG2 3.91Å; L265-V303 HydrophobicContact CD2-CG1 4Å; Y267-V303 HydrophobicContact CD1-CB 4.5Å; Y267-V303 HydrophobicContact CD1-CG1 3.74Å; Y267-V303 HydrophobicContact CD1-CG2 3.93Å; Y267-V303 HydrophobicContact CD2-CG2 3.74Å; Y267-V303 HydrophobicContact CE1-CB 4.36Å; Y267-V303 HydrophobicContact CE1-CG1 3.55Å; Y267-V303 HydrophobicContact CE1-CG2 4.11Å; Y267-V303 HydrophobicContact CE2-CG2 3.92Å; Y267-V303 HydrophobicContact CG-CG1 4.41Å; Y267-V303 HydrophobicContact CG-CG2 3.73Å; V299-V303 HydrophobicContact CG1-CG2 4.42Å; V299-V303 WeakPolarHBondContact O-CG2 3.43Å; V299-V303 PolarHBondContact O-N 3.01Å; I300-V303 PolarHBondContact O-N 2.87Å; V303-K305 VanDerWaalsContact C-N 3.34Å; V303-K305 PolarHBondContact O-N 2.56Å; V303-A306 PolarHBondContact O-N 3.5Å; V303-T307 PolarHBondContact O-N 3.25Å; V303-T307 PolarHBondContact O-OG1 3.21Å; V303-R314 HydrophobicContact CG1-CB 3.73Å; V303-R314 HydrophobicContact CG1-CG 4.43Å
304I96.7Very high95.8Very high34 Ų3441 Ų4117%0.17423%0.23CC..Hα-helixtrans-60-44.9174.4-70.2167000110.7I300 S301 T307 K308 R314I300-I304 HydrophobicContact CG2-CD1 3.84Å; I300-I304 HydrophobicContact CG2-CG1 4.47Å; I300-I304 WeakPolarHBondContact O-CB 3.31Å; I300-I304 VanDerWaalsContact O-CG1 3.25Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 2.91Å; S301-I304 PolarHBondContact O-N 3.09Å; I304-T307 PolarHBondContact O-OG1 2.71Å; I304-T307 VanDerWaalsContact O-OG1 3.1Å; I304-K308 HydrophobicContact CG2-CD 4.16Å; I304-K308 WeakPolarHBondContact O-CB 3.25Å; I304-K308 VanDerWaalsContact O-CG 3.28Å; I304-K308 WeakPolarHBondContact O-CG 3.39Å; I304-K308 PolarHBondContact O-N 3.38Å; I304-R314 VanDerWaalsContact CG1-CZ 3.46Å
305K96.2Very high96.1Very high101 Ų10135.4 Ų35.444%0.43921%0.206SC..Hα-helixtrans-67-38178.5-71.3168.4-173.5167.40112.1L237 S301 N302 V303 K308 T309L237-K305 HydrophobicContact CD1-CB 3.97Å; S301-K305 VanDerWaalsContact O-CG 3.26Å; S301-K305 WeakPolarHBondContact O-CG 3.22Å; S301-K305 PolarHBondContact O-N 3.01Å; S301-K305 WeakPolarHBondContact OG-CE 3.14Å; S301-K305 PolarHBondContact OG-NZ 2.96Å; N302-K305 PolarHBondContact O-N 3.39Å; V303-K305 VanDerWaalsContact C-N 3.34Å; V303-K305 PolarHBondContact O-N 2.56Å; K305-K308 PolarHBondContact O-N 2.91Å; K305-T309 PolarHBondContact O-N 3.17Å; K305-T309 VanDerWaalsContact O-N 3.16Å; K305-T309 PolarHBondContact O-OG1 2.58Å
306A95.9Very high96.2Very high2 Ų234.7 Ų34.72%0.01720%0.202CC..Hα-helixtrans-61.5-52176.200000110.7T245 L265 N302 V303 K308 T309 T310T245-A306 HydrophobicContact CG2-CB 3.99Å; L265-A306 HydrophobicContact CD2-CB 3.78Å; N302-A306 WeakPolarHBondContact O-CB 3.36Å; N302-A306 PolarHBondContact O-N 3.26Å; V303-A306 PolarHBondContact O-N 3.5Å; A306-K308 PolarHBondContact O-N 3.04Å; A306-T309 WeakPolarHBondContact O-CA 3.22Å; A306-T309 VanDerWaalsContact O-CB 3.3Å; A306-T309 WeakPolarHBondContact O-CB 3.26Å; A306-T309 PolarHBondContact O-N 3.16Å; A306-T310 PolarHBondContact O-N 3.02Å; A306-T310 PolarHBondContact O-OG1 3.27Å; A306-T310 VanDerWaalsContact O-OG1 3.09Å
307T96.2Very high96.4Very high17 Ų1734.5 Ų34.510%0.10420%0.201CC..Hα-helixtrans-67.5-30.1178.550.40000113.8L265 V303 I304 T309 G311 G313 R314L265-T307 HydrophobicContact CB-CG2 3.75Å; L265-T307 HydrophobicContact CD2-CG2 3.9Å; L265-T307 HydrophobicContact CG-CG2 4.48Å; V303-T307 PolarHBondContact O-N 3.25Å; V303-T307 PolarHBondContact O-OG1 3.21Å; I304-T307 PolarHBondContact O-OG1 2.71Å; I304-T307 VanDerWaalsContact O-OG1 3.1Å; T307-T309 PolarHBondContact O-N 2.67Å; T307-G311 CarbonylContact O-C 3.45Å; T307-G311 WeakPolarHBondContact O-CA 3.47Å; T307-G311 PolarHBondContact O-N 2.73Å; T307-G313 WeakPolarHBondContact CG2-O 3.41Å; T307-R314 HydrophobicContact CG2-CB 4.02Å
308K96.1Very high96.5Very high171 Ų17133.2 Ų33.274%0.74319%0.192SC*.Hα-helixtrans-61.6-31.6167.3-79.1176.9179.3-179.10112.8I304 K305 A306I304-K308 HydrophobicContact CG2-CD 4.16Å; I304-K308 WeakPolarHBondContact O-CB 3.25Å; I304-K308 VanDerWaalsContact O-CG 3.28Å; I304-K308 WeakPolarHBondContact O-CG 3.39Å; I304-K308 PolarHBondContact O-N 3.38Å; K305-K308 PolarHBondContact O-N 2.91Å; A306-K308 PolarHBondContact O-N 3.04Å
309T94Very high96.5Very high85 Ų8531.3 Ų31.352%0.52118%0.18SC..Hα-helixtrans-81.8-46.4179.9-560000111.4K305 A306 T307K305-T309 PolarHBondContact O-N 3.17Å; K305-T309 VanDerWaalsContact O-N 3.16Å; K305-T309 PolarHBondContact O-OG1 2.58Å; A306-T309 WeakPolarHBondContact O-CA 3.22Å; A306-T309 VanDerWaalsContact O-CB 3.3Å; A306-T309 WeakPolarHBondContact O-CB 3.26Å; A306-T309 PolarHBondContact O-N 3.16Å; T307-T309 PolarHBondContact O-N 2.67Å
310T96.2Very high96.1Very high10 Ų1031.7 Ų31.76%0.06118%0.183CC..Hα-helixtrans-86.8-25.4-173.955.20000113.4Y226 F247 A306Y226-T310 PolarHBondContact OH-OG1 3.05Å; F247-T310 HydrophobicContact CB-CG2 3.83Å; F247-T310 WeakPolarHBondContact O-CG2 3.38Å; A306-T310 PolarHBondContact O-N 3.02Å; A306-T310 PolarHBondContact O-OG1 3.27Å; A306-T310 VanDerWaalsContact O-OG1 3.09Å
311G96.1Very high95.2Very high25 Ų2536.3 Ų36.326%0.25821%0.208SC..  trans80178.6-162.500000112.6V250 T307V250-G311 WeakPolarHBondContact CG1-O 3.21Å; T307-G311 CarbonylContact O-C 3.45Å; T307-G311 WeakPolarHBondContact O-CA 3.47Å; T307-G311 PolarHBondContact O-N 2.73Å
312G95.9Very high94.5Very high37 Ų3734.4 Ų34.438%0.38119%0.194SC..SBendtrans85.2-173.4178.400000115.3P260 S263P260-G312 WeakPolarHBondContact O-CA 3.13Å; S263-G312 CarbonylContact O-C 3.56Å; S263-G312 WeakPolarHBondContact O-CA 3.12Å
313G96.1Very high93.5Very high33 Ų3334.1 Ų34.134%0.3419%0.193SC..EExtended strand (participates in β ladder)trans-87177.2179.400000112.9S263 V264 L265 T307S263-G313 PolarHBondContact O-N 3.42Å; V264-G313 WeakPolarHBondContact CA-O 3.4Å; L265-G313 PolarHBondContact N-O 3.14Å; T307-G313 WeakPolarHBondContact CG2-O 3.41Å
314R97Very high92.3Very high59 Ų5935.8 Ų35.822%0.22320%0.203CC..EExtended strand (participates in β ladder)trans-135.4149.6171.647.2-179.6-178.4135.64.6109L265 Y267 V303 I304 T307 H346 E348L265-R314 WeakPolarHBondContact O-CA 3.35Å; Y267-R314 HydrophobicContact CE1-CB 4.36Å; V303-R314 HydrophobicContact CG1-CB 3.73Å; V303-R314 HydrophobicContact CG1-CG 4.43Å; I304-R314 VanDerWaalsContact CG1-CZ 3.46Å; T307-R314 HydrophobicContact CG2-CB 4.02Å; R314-H346 PolarHBondContact NH2-O 3.23Å; R314-E348 WeakPolarHBondContact CB-OE1 3.45Å; R314-E348 WeakPolarHBondContact CD-OE2 3.36Å; R314-E348 VanDerWaalsContact CG-OE1 3.24Å; R314-E348 WeakPolarHBondContact CG-OE1 3.47Å; R314-E348 WeakPolarHBondContact CG-OE2 3.13Å; R314-E348 IonicContact CZ-OE2 2.84Å; R314-E348 IonicContact NE-OE2 3.26Å; R314-E348 PolarHBondContact NE-OE2 3.23Å; R314-E348 IonicContact NH1-OE2 3.59Å; R314-E348 PolarHBondContact NH1-OE2 3.03Å; R314-E348 IonicContact NH2-OE2 3.95Å
315F98.3Very high91.4Very high6 Ų636.3 Ų36.33%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-153.3125.3-179.6-156.9-61.2000109.5F10 V43 I83 L174 F225 V264 L265 Y267 T317 E348 S349 W350 T351F10-F315 HydrophobicContact CB-CE2 3.6Å; F10-F315 HydrophobicContact CB-CZ 3.68Å; F10-F315 AromaticContact CD2-CE2 3.95Å; F10-F315 HydrophobicContact CD2-CE2 3.95Å; F10-F315 HydrophobicContact CG-CE2 4.03Å; V43-F315 HydrophobicContact CG1-CZ 4.12Å; I83-F315 HydrophobicContact CD1-CD2 4.43Å; I83-F315 HydrophobicContact CD1-CE1 4.12Å; I83-F315 HydrophobicContact CD1-CE2 3.96Å; I83-F315 HydrophobicContact CD1-CZ 3.8Å; L174-F315 HydrophobicContact CD2-CE2 4.39Å; F225-F315 HydrophobicContact CD1-CB 4.39Å; F225-F315 HydrophobicContact CE1-CB 3.82Å; F225-F315 AromaticContact CE1-CD2 3.68Å; F225-F315 HydrophobicContact CE1-CD2 3.68Å; F225-F315 HydrophobicContact CE1-CE2 4.37Å; F225-F315 AromaticContact CE1-CG 3.82Å; F225-F315 HydrophobicContact CE1-CG 3.82Å; F225-F315 HydrophobicContact CZ-CD2 4.11Å; V264-F315 HydrophobicContact CG1-CB 3.55Å; L265-F315 PolarHBondContact O-N 3.42Å; Y267-F315 WeakPolarHBondContact CD1-O 3.27Å; Y267-F315 VanDerWaalsContact CE1-C 3.49Å; Y267-F315 WeakPolarHBondContact CE1-O 3.2Å; Y267-F315 PolarHBondContact N-O 3.04Å; Y267-F315 VanDerWaalsContact N-O 3.14Å; F315-T317 VanDerWaalsContact C-N 3.34Å; F315-T317 HydrophobicContact CB-CG2 4.32Å; F315-T317 HydrophobicContact CD1-CG2 3.74Å; F315-T317 HydrophobicContact CE1-CG2 4.4Å; F315-T317 HydrophobicContact CG-CG2 4.27Å; F315-T317 PolarHBondContact O-N 2.86Å; F315-E348 WeakPolarHBondContact CA-OE1 3.26Å; F315-E348 PolarHBondContact N-OE1 3.26Å; F315-E348 VanDerWaalsContact N-OE1 3.16Å; F315-S349 VanDerWaalsContact CE2-CB 3.43Å; F315-W350 VanDerWaalsContact CE1-C 3.48Å; F315-T351 HydrophobicContact CE1-CG2 4.07Å; F315-T351 HydrophobicContact CZ-CG2 4.38Å
316L98.4Very high90.6Very high2 Ų234.6 Ų34.61%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-77.783.8172.2175.964.1000109.2Y267 E318 F319 V339 E348 S349 W350 T351Y267-L316 HydrophobicContact CD2-CD1 3.95Å; Y267-L316 HydrophobicContact CE1-CB 4.21Å; Y267-L316 HydrophobicContact CE2-CB 4.17Å; Y267-L316 HydrophobicContact CE2-CD1 3.59Å; Y267-L316 HydrophobicContact CE2-CG 4.44Å; Y267-L316 CarbonylContact O-C 3.12Å; Y267-L316 WeakPolarHBondContact O-CA 3.3Å; L316-E318 WeakPolarHBondContact CD1-O 3.4Å; L316-E318 PolarHBondContact O-N 2.86Å; L316-F319 HydrophobicContact CD1-CB 4.27Å; L316-F319 HydrophobicContact CD2-CB 4.07Å; L316-F319 HydrophobicContact CD2-CD1 3.72Å; L316-F319 HydrophobicContact CD2-CE1 4.39Å; L316-F319 HydrophobicContact CD2-CG 3.94Å; L316-F319 HydrophobicContact CG-CB 4.29Å; L316-F319 HydrophobicContact CG-CD1 3.99Å; L316-F319 HydrophobicContact CG-CG 4.43Å; L316-V339 HydrophobicContact CD2-CG1 3.75Å; L316-E348 HydrophobicContact CB-CG 4.18Å; L316-S349 PolarHBondContact N-O 3.46Å; L316-W350 HydrophobicContact CB-CB 3.93Å; L316-W350 HydrophobicContact CD2-CB 4.12Å; L316-W350 HydrophobicContact CG-CB 4.19Å; L316-W350 CarbonylContact O-C 3.57Å; L316-W350 WeakPolarHBondContact O-CA 3.14Å; L316-W350 WeakPolarHBondContact O-CB 3.13Å; L316-T351 PolarHBondContact O-N 3.32Å
317T98.3Very high90Very high0 Ų037 Ų370%023%0.229CC..EExtended strand (participates in β ladder)trans-73.9-17.2-172.537.60000113.3N14 F225 S266 Y267 H268 F315 T351N14-T317 PolarHBondContact ND2-O 2.99Å; F225-T317 HydrophobicContact CD1-CG2 4.1Å; F225-T317 HydrophobicContact CE1-CG2 4.39Å; S266-T317 WeakPolarHBondContact OG-CB 3.27Å; S266-T317 WeakPolarHBondContact OG-CG2 3.49Å; S266-T317 PolarHBondContact OG-OG1 3.24Å; Y267-T317 PolarHBondContact N-OG1 3.02Å; Y267-T317 PolarHBondContact O-N 3.13Å; Y267-T317 PolarHBondContact O-OG1 2.94Å; H268-T317 PolarHBondContact CD2-OG1 2.93Å; H268-T317 VanDerWaalsContact CD2-OG1 3.28Å; H268-T317 PolarHBondContact NE2-OG1 3.02Å; F315-T317 VanDerWaalsContact C-N 3.34Å; F315-T317 HydrophobicContact CB-CG2 4.32Å; F315-T317 HydrophobicContact CD1-CG2 3.74Å; F315-T317 HydrophobicContact CE1-CG2 4.4Å; F315-T317 HydrophobicContact CG-CG2 4.27Å; F315-T317 PolarHBondContact O-N 2.86Å; T317-T351 CarbonylContact C-O 3.54Å; T317-T351 VanDerWaalsContact CA-OG1 3.24Å; T317-T351 WeakPolarHBondContact CA-OG1 3.31Å; T317-T351 PolarHBondContact O-OG1 3.02Å
318E97.3Very high89.5Confident11 Ų1140.2 Ų40.25%0.05125%0.25CC..EExtended strand (participates in β ladder)trans-150.6129.4174.5-149.3178.611600112.2R45 H268 Y269 Y270 L316 T351 W353R45-E318 IonicContact NH1-OE2 3.42Å; R45-E318 PolarHBondContact NH1-OE2 3.47Å; H268-E318 CarbonylContact C-O 3.46Å; H268-E318 WeakPolarHBondContact CA-O 3.11Å; H268-E318 HydrophobicContact CB-CB 4.01Å; H268-E318 WeakPolarHBondContact CD2-CB 3.34Å; H268-E318 IonicContact CE1-OE2 2.67Å; H268-E318 PolarHBondContact CE1-OE2 3.46Å; H268-E318 IonicContact ND1-OE2 3.7Å; H268-E318 WeakPolarHBondContact NE2-CB 3.36Å; H268-E318 IonicContact NE2-OE2 3.51Å; Y269-E318 PolarHBondContact N-O 2.81Å; Y270-E318 HydrophobicContact CE2-CG 4.19Å; Y270-E318 VanDerWaalsContact CE2-OE1 3.3Å; Y270-E318 WeakPolarHBondContact CE2-OE1 3.47Å; Y270-E318 VanDerWaalsContact OH-CG 3.32Å; Y270-E318 WeakPolarHBondContact OH-CG 3.38Å; Y270-E318 PolarHBondContact OH-OE1 2.04Å; L316-E318 WeakPolarHBondContact CD1-O 3.4Å; L316-E318 PolarHBondContact O-N 2.86Å; E318-T351 WeakPolarHBondContact CA-O 3.38Å; E318-W353 HydrophobicContact CG-CB 3.63Å; E318-W353 HydrophobicContact CG-CD2 4.09Å; E318-W353 HydrophobicContact CG-CE3 3.75Å; E318-W353 HydrophobicContact CG-CG 4.06Å
319F94.8Very high89.1Confident2 Ų234.9 Ų34.91%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-157.9156.4164.575.4-71.9000106.6Y269 L316 V339 L340 W350 F352 W353Y269-F319 WeakPolarHBondContact O-CA 3.23Å; Y269-F319 WeakPolarHBondContact O-CB 3.46Å; L316-F319 HydrophobicContact CD1-CB 4.27Å; L316-F319 HydrophobicContact CD2-CB 4.07Å; L316-F319 HydrophobicContact CD2-CD1 3.72Å; L316-F319 HydrophobicContact CD2-CE1 4.39Å; L316-F319 HydrophobicContact CD2-CG 3.94Å; L316-F319 HydrophobicContact CG-CB 4.29Å; L316-F319 HydrophobicContact CG-CD1 3.99Å; L316-F319 HydrophobicContact CG-CG 4.43Å; F319-V339 HydrophobicContact CB-CG1 4.12Å; F319-V339 HydrophobicContact CD2-CB 3.91Å; F319-V339 HydrophobicContact CD2-CG1 3.36Å; F319-V339 HydrophobicContact CD2-CG2 4.43Å; F319-V339 HydrophobicContact CE2-CB 4.24Å; F319-V339 HydrophobicContact CE2-CG1 3.84Å; F319-V339 HydrophobicContact CG-CG1 3.74Å; F319-L340 HydrophobicContact CE2-CD2 4.09Å; F319-L340 HydrophobicContact CE2-CG 4.39Å; F319-L340 HydrophobicContact CZ-CD2 3.73Å; F319-W350 HydrophobicContact CD1-CB 4.29Å; F319-W350 HydrophobicContact CE1-CB 3.82Å; F319-W350 AromaticContact CE1-CD2 3.75Å; F319-W350 HydrophobicContact CE1-CD2 3.75Å; F319-W350 AromaticContact CE1-CE3 3.59Å; F319-W350 HydrophobicContact CE1-CE3 3.59Å; F319-W350 AromaticContact CE1-CG 3.86Å; F319-W350 HydrophobicContact CE1-CG 3.86Å; F319-W350 HydrophobicContact CE1-CZ3 4.21Å; F319-W350 HydrophobicContact CZ-CD2 4.01Å; F319-W350 AromaticContact CZ-CE3 3.9Å; F319-W350 HydrophobicContact CZ-CE3 3.9Å; F319-W350 HydrophobicContact CZ-CG 4.37Å; F319-W350 HydrophobicContact CZ-CH2 4.49Å; F319-W350 HydrophobicContact CZ-CZ3 4.13Å; F319-F352 HydrophobicContact CD2-CD2 4.33Å; F319-F352 HydrophobicContact CE1-CB 3.98Å; F319-F352 HydrophobicContact CE1-CD2 4.43Å; F319-F352 AromaticContact CE2-CD2 3.86Å; F319-F352 HydrophobicContact CE2-CD2 3.86Å; F319-F352 HydrophobicContact CZ-CB 4.05Å; F319-F352 AromaticContact CZ-CD2 3.91Å; F319-F352 HydrophobicContact CZ-CD2 3.91Å; F319-F352 HydrophobicContact CZ-CG 4.49Å; F319-F352 CarbonylContact O-C 3.45Å; F319-F352 WeakPolarHBondContact O-CA 3.44Å; F319-W353 PolarHBondContact O-N 2.79Å
320G88Confident88.9Confident8 Ų830.8 Ų30.88%0.08221%0.209CC..EExtended strand (participates in β ladder)trans156.2-142.5176.600000111.8C322 F352G320-C322 PolarHBondContact O-N 3.16Å; G320-F352 VanDerWaalsContact CA-CE2 3.47Å
321L78.7Confident88.5Confident101 Ų10130.7 Ų30.753%0.52921%0.208SC..SBendtrans55.233.8-164.8-53.7174.3000111.1Y270 Q279 N332 W353Y270-L321 HydrophobicContact CD1-CD1 4.32Å; Y270-L321 HydrophobicContact CE1-CD1 4.03Å; Y270-L321 HydrophobicContact CE1-CG 4.02Å; Q279-L321 PolarHBondContact NE2-O 2.86Å; L321-N332 PolarHBondContact O-OD1 3.41Å; L321-W353 PolarHBondContact N-O 3.44Å
322C81.7Confident88Confident9 Ų930.3 Ų30.36%0.06120%0.201CC..  trans-144.5159.5178.5620000108.8G320 N332 E335 C336 F352G320-C322 PolarHBondContact O-N 3.16Å; C322-N332 VanDerWaalsContact CA-OD1 3.3Å; C322-N332 WeakPolarHBondContact CA-OD1 3.48Å; C322-N332 VanDerWaalsContact CB-O 3.31Å; C322-N332 WeakPolarHBondContact CB-O 3.26Å; C322-E335 HydrophobicContact CB-CB 4.05Å; C322-E335 HydrophobicContact CB-CG 4.22Å; C322-C336 HydrophobicContact CB-CB 3.78Å; C322-C336 WeakPolarHBondContact CB-SG 3.48Å; C322-C336 PolarHBondContact O-SG 3.03Å; C322-C336 WeakPolarHBondContact SG-CA 3.29Å; C322-C336 WeakPolarHBondContact SG-CB 3.15Å; C322-C336 PolarHBondContact SG-N 3.08Å; C322-C336 CovalentContact SG-SG 2.03Å; C322-C336 PolarHBondContact SG-SG 3.25Å; C322-F352 WeakPolarHBondContact O-CE2 3.1Å; C322-F352 WeakPolarHBondContact O-CZ 3.38Å
323G74.1Confident87.6Confident3 Ų328.9 Ų28.93%0.03119%0.185CC..  trans-174.8155.7-172.300000111.8D325 N332 T333G323-D325 PolarHBondContact O-N 3.31Å; G323-N332 PolarHBondContact N-O 2.81Å; G323-N332 VanDerWaalsContact N-O 3.16Å; G323-N332 CarbonylContact O-C 3.48Å; G323-N332 VanDerWaalsContact O-CB 3.24Å; G323-N332 WeakPolarHBondContact O-CB 3.05Å; G323-T333 WeakPolarHBondContact O-CA 2.98Å; G323-T333 PolarHBondContact O-N 3.14Å; G323-T333 PolarHBondContact O-OG1 3.36Å
324D73.5Confident87.3Confident36 Ų3629.1 Ų29.119%0.19318%0.178CC..  trans-74.597.2172-177.70.3000109.4G326 S367 F370D324-G326 PolarHBondContact O-N 2.83Å; D324-G326 PolarHBondContact OD1-N 3.42Å; D324-S367 PolarHBondContact N-O 3.25Å; D324-S367 WeakPolarHBondContact O-CA 3.36Å; D324-F370 HydrophobicContact CB-CD1 4.14Å
325D77.4Confident87.1Confident45 Ų4526.9 Ų26.924%0.24117%0.17CC..  trans-87.813.517967.8-7.1000113.2N280 G323 N327 S330 N332 T333N280-D325 WeakPolarHBondContact CA-OD2 3.41Å; G323-D325 PolarHBondContact O-N 3.31Å; D325-N327 PolarHBondContact O-N 2.94Å; D325-N327 WeakPolarHBondContact OD1-CB 3.39Å; D325-N327 PolarHBondContact OD1-N 3.03Å; D325-S330 WeakPolarHBondContact OD1-CB 3.32Å; D325-S330 PolarHBondContact OD1-OG 3Å; D325-S330 WeakPolarHBondContact OD2-CB 3.24Å; D325-S330 PolarHBondContact OD2-OG 3.01Å; D325-N332 HydrophobicContact CB-CB 4.48Å; D325-T333 PolarHBondContact N-OG1 3.08Å; D325-T333 PolarHBondContact OD1-OG1 2.97Å
326G78Confident86.7Confident64 Ų6426.6 Ų26.666%0.6617%0.169SC*.SBendtrans74.9-4.1-175.300000114D324D324-G326 PolarHBondContact O-N 2.83Å; D324-G326 PolarHBondContact OD1-N 3.42Å
327N84.5Confident86.3Confident54 Ų5428.9 Ų28.929%0.28918%0.181SC..  trans-103107.1172176.65.2000109.6D325 S329 S330 T333D325-N327 PolarHBondContact O-N 2.94Å; D325-N327 WeakPolarHBondContact OD1-CB 3.39Å; D325-N327 PolarHBondContact OD1-N 3.03Å; N327-S329 PolarHBondContact O-N 3.42Å; N327-S329 PolarHBondContact OD1-N 3.19Å; N327-S330 PolarHBondContact O-N 2.92Å; N327-S330 PolarHBondContact O-OG 2.62Å; N327-T333 VanDerWaalsContact O-CB 3.27Å; N327-T333 WeakPolarHBondContact O-CB 3.15Å; N327-T333 PolarHBondContact O-OG1 3Å; N327-T333 VanDerWaalsContact O-OG1 3.07Å
328P86.3Confident86.1Confident83 Ų8329.5 Ų29.554%0.53919%0.186SC..THydrogen-bonded Turntrans-66.3-8.9-177.128-35.8000114L334P328-L334 WeakPolarHBondContact O-CD2 3.38Å
329S87.6Confident86Confident59 Ų5929.1 Ų29.141%0.41319%0.185SC..THydrogen-bonded Turntrans-107.51.1178.4-57.80000113.7T282 M283 N327T282-S329 WeakPolarHBondContact CA-O 3.34Å; M283-S329 PolarHBondContact N-O 3.41Å; N327-S329 PolarHBondContact O-N 3.42Å; N327-S329 PolarHBondContact OD1-N 3.19Å
330S89.4Confident86Confident0 Ų029.5 Ų29.50%019%0.187CC..BIsolated β-bridgetrans-70.7156.8179.966.60000112S281 D325 N327 N332 T333 L334S281-S330 CarbonylContact O-C 3.27Å; S281-S330 VanDerWaalsContact O-CA 3.25Å; S281-S330 WeakPolarHBondContact O-CA 3.35Å; D325-S330 WeakPolarHBondContact OD1-CB 3.32Å; D325-S330 PolarHBondContact OD1-OG 3Å; D325-S330 WeakPolarHBondContact OD2-CB 3.24Å; D325-S330 PolarHBondContact OD2-OG 3.01Å; N327-S330 PolarHBondContact O-N 2.92Å; N327-S330 PolarHBondContact O-OG 2.62Å; S330-N332 PolarHBondContact O-N 3.35Å; S330-T333 PolarHBondContact O-N 3.44Å; S330-T333 WeakPolarHBondContact OG-CB 3.27Å; S330-T333 PolarHBondContact OG-N 3.07Å; S330-T333 PolarHBondContact OG-OG1 3.13Å; S330-T333 VanDerWaalsContact OG-OG1 3.13Å; S330-L334 WeakPolarHBondContact O-CB 3.21Å; S330-L334 WeakPolarHBondContact O-CG 3.39Å; S330-L334 PolarHBondContact O-N 3.02Å
331V87.2Confident86.3Confident7 Ų732.9 Ų32.94%0.04220%0.203CC..Hα-helixtrans-54-45.8169.81700000110.1L274 D277 Q279 S281 M283 E335L274-V331 HydrophobicContact CB-CG1 4.33Å; L274-V331 HydrophobicContact CD1-CG1 4.06Å; L274-V331 HydrophobicContact CD2-CG1 4.17Å; L274-V331 HydrophobicContact CG-CG1 4.41Å; D277-V331 HydrophobicContact CB-CG2 4.27Å; Q279-V331 PolarHBondContact O-N 3.07Å; S281-V331 WeakPolarHBondContact O-CG2 3.37Å; S281-V331 PolarHBondContact O-N 3.29Å; M283-V331 HydrophobicContact CB-CG2 3.79Å; M283-V331 HydrophobicContact CE-CB 4.28Å; M283-V331 HydrophobicContact CE-CG1 4.06Å; M283-V331 HydrophobicContact CE-CG2 4.4Å; M283-V331 HydrophobicContact CG-CG2 4.03Å; V331-E335 VanDerWaalsContact O-CB 3.26Å; V331-E335 WeakPolarHBondContact O-CB 3.14Å; V331-E335 PolarHBondContact O-N 3.07Å
332N85.3Confident87.1Confident17 Ų1729.3 Ų29.39%0.09118%0.183CC..Hα-helixtrans-54.4-55.3177.9-109.914.3000112.9Q279 L321 C322 G323 D325 S330 C336Q279-N332 WeakPolarHBondContact CB-OD1 3.38Å; Q279-N332 WeakPolarHBondContact CG-OD1 3.23Å; Q279-N332 VanDerWaalsContact O-CB 3.26Å; Q279-N332 WeakPolarHBondContact O-CB 3.33Å; Q279-N332 PolarHBondContact O-N 3.44Å; L321-N332 PolarHBondContact O-OD1 3.41Å; C322-N332 VanDerWaalsContact CA-OD1 3.3Å; C322-N332 WeakPolarHBondContact CA-OD1 3.48Å; C322-N332 VanDerWaalsContact CB-O 3.31Å; C322-N332 WeakPolarHBondContact CB-O 3.26Å; G323-N332 PolarHBondContact N-O 2.81Å; G323-N332 VanDerWaalsContact N-O 3.16Å; G323-N332 CarbonylContact O-C 3.48Å; G323-N332 VanDerWaalsContact O-CB 3.24Å; G323-N332 WeakPolarHBondContact O-CB 3.05Å; D325-N332 HydrophobicContact CB-CB 4.48Å; S330-N332 PolarHBondContact O-N 3.35Å; N332-C336 PolarHBondContact O-N 2.94Å
333T87.3Confident87.8Confident8 Ų829 Ų295%0.04918%0.181CC..Hα-helixtrans-73.1-39.5-174.2-61.20000111.3G323 D325 N327 S330 N337G323-T333 WeakPolarHBondContact O-CA 2.98Å; G323-T333 PolarHBondContact O-N 3.14Å; G323-T333 PolarHBondContact O-OG1 3.36Å; D325-T333 PolarHBondContact N-OG1 3.08Å; D325-T333 PolarHBondContact OD1-OG1 2.97Å; N327-T333 VanDerWaalsContact O-CB 3.27Å; N327-T333 WeakPolarHBondContact O-CB 3.15Å; N327-T333 PolarHBondContact O-OG1 3Å; N327-T333 VanDerWaalsContact O-OG1 3.07Å; S330-T333 PolarHBondContact O-N 3.44Å; S330-T333 WeakPolarHBondContact OG-CB 3.27Å; S330-T333 PolarHBondContact OG-N 3.07Å; S330-T333 PolarHBondContact OG-OG1 3.13Å; S330-T333 VanDerWaalsContact OG-OG1 3.13Å; T333-N337 WeakPolarHBondContact CG2-ND2 3.42Å; T333-N337 WeakPolarHBondContact O-CB 3.43Å; T333-N337 PolarHBondContact O-N 2.96Å; T333-N337 PolarHBondContact O-ND2 3Å
334L91.1Very high88.8Confident38 Ų3832.2 Ų32.220%0.19920%0.198CC..Hα-helixtrans-71.4-44.2-176.8-70.5173.5000112.9M283 P328 S330 N337 A338M283-L334 HydrophobicContact CB-CD1 3.77Å; M283-L334 HydrophobicContact CE-CB 4.11Å; M283-L334 HydrophobicContact SD-CB 4.26Å; M283-L334 HydrophobicContact SD-CD1 4.44Å; P328-L334 WeakPolarHBondContact O-CD2 3.38Å; S330-L334 WeakPolarHBondContact O-CB 3.21Å; S330-L334 WeakPolarHBondContact O-CG 3.39Å; S330-L334 PolarHBondContact O-N 3.02Å; L334-N337 PolarHBondContact O-N 3.21Å; L334-A338 WeakPolarHBondContact O-CB 3.45Å; L334-A338 PolarHBondContact O-N 3.08Å
335E91.7Very high89.8Confident12 Ų1237.2 Ų37.26%0.05622%0.218CC..Hα-helixtrans-63.1-48.7-178.8179.268178.700111.1Y269 C271 L274 M283 C322 V331 N337 A338 V339Y269-E335 VanDerWaalsContact CE1-OE1 3.27Å; Y269-E335 WeakPolarHBondContact CE1-OE1 3.08Å; C271-E335 WeakPolarHBondContact CB-OE1 3.41Å; L274-E335 HydrophobicContact CD1-CB 4.02Å; L274-E335 HydrophobicContact CD1-CG 3.9Å; L274-E335 VanDerWaalsContact CD1-OE2 3.27Å; L274-E335 WeakPolarHBondContact CD1-OE2 3.09Å; M283-E335 HydrophobicContact CE-CB 4.04Å; C322-E335 HydrophobicContact CB-CB 4.05Å; C322-E335 HydrophobicContact CB-CG 4.22Å; V331-E335 VanDerWaalsContact O-CB 3.26Å; V331-E335 WeakPolarHBondContact O-CB 3.14Å; V331-E335 PolarHBondContact O-N 3.07Å; E335-N337 PolarHBondContact O-N 2.9Å; E335-A338 PolarHBondContact O-N 3.28Å; E335-V339 WeakPolarHBondContact O-CG2 3.41Å; E335-V339 PolarHBondContact O-N 2.87Å
336C89.9Confident90.7Very high0 Ų037.7 Ų37.70%022%0.219CC..Hα-helixtrans-64.1-41.2-179.9-97.80000112.1C322 N332 A338 V339 L340 F370C322-C336 HydrophobicContact CB-CB 3.78Å; C322-C336 WeakPolarHBondContact CB-SG 3.48Å; C322-C336 PolarHBondContact O-SG 3.03Å; C322-C336 WeakPolarHBondContact SG-CA 3.29Å; C322-C336 WeakPolarHBondContact SG-CB 3.15Å; C322-C336 PolarHBondContact SG-N 3.08Å; C322-C336 CovalentContact SG-SG 2.03Å; C322-C336 PolarHBondContact SG-SG 3.25Å; N332-C336 PolarHBondContact O-N 2.94Å; C336-A338 VanDerWaalsContact C-N 3.33Å; C336-A338 PolarHBondContact O-N 2.59Å; C336-V339 PolarHBondContact O-N 3.45Å; C336-L340 WeakPolarHBondContact O-CB 3.36Å; C336-L340 WeakPolarHBondContact O-CG 3.5Å; C336-L340 PolarHBondContact O-N 3.44Å; C336-F370 HydrophobicContact CB-CD1 4.46Å; C336-F370 HydrophobicContact CB-CE1 3.46Å; C336-F370 VanDerWaalsContact CB-CE1 3.46Å; C336-F370 HydrophobicContact CB-CZ 3.96Å; C336-F370 VanDerWaalsContact SG-CE1 3.54Å; C336-F370 WeakPolarHBondContact SG-CZ 3.42Å
337N91.3Very high91.4Very high49 Ų4940.3 Ų40.326%0.26221%0.212SC..Hα-helixtrans-60.2-44174.3-82.6-50.1000111.7T333 L334 E335 L340 D341 K379T333-N337 WeakPolarHBondContact CG2-ND2 3.42Å; T333-N337 WeakPolarHBondContact O-CB 3.43Å; T333-N337 PolarHBondContact O-N 2.96Å; T333-N337 PolarHBondContact O-ND2 3Å; L334-N337 PolarHBondContact O-N 3.21Å; E335-N337 PolarHBondContact O-N 2.9Å; N337-L340 PolarHBondContact O-N 2.88Å; N337-D341 VanDerWaalsContact O-CB 3.26Å; N337-D341 WeakPolarHBondContact O-CB 3.46Å; N337-D341 PolarHBondContact O-N 3.29Å; N337-K379 PolarHBondContact OD1-NZ 3.28Å
338A93.7Very high91.9Very high14 Ų1437.8 Ų37.812%0.11620%0.198CC..Hα-helixtrans-61.4-46.2178.400000112.2D292 L296 L334 E335 C336 D341 E342D292-A338 HydrophobicContact CB-CB 4.2Å; L296-A338 HydrophobicContact CD2-CB 4.3Å; L296-A338 WeakPolarHBondContact CD2-O 3.34Å; L334-A338 WeakPolarHBondContact O-CB 3.45Å; L334-A338 PolarHBondContact O-N 3.08Å; E335-A338 PolarHBondContact O-N 3.28Å; C336-A338 VanDerWaalsContact C-N 3.33Å; C336-A338 PolarHBondContact O-N 2.59Å; A338-D341 PolarHBondContact O-N 3.32Å; A338-E342 WeakPolarHBondContact O-CB 3.26Å; A338-E342 PolarHBondContact O-N 3.22Å
339V95.1Very high92.5Very high3 Ų334.4 Ų34.42%0.01818%0.177CC..Hα-helixtrans-64.1-44.6179179.50000111.5Y269 L296 L316 F319 E335 C336 A343Y269-V339 HydrophobicContact CD1-CG1 4.48Å; Y269-V339 HydrophobicContact CD1-CG2 3.63Å; Y269-V339 HydrophobicContact CE1-CG2 3.54Å; L296-V339 HydrophobicContact CD1-CG2 4.45Å; L296-V339 HydrophobicContact CD2-CG2 4.2Å; L316-V339 HydrophobicContact CD2-CG1 3.75Å; F319-V339 HydrophobicContact CB-CG1 4.12Å; F319-V339 HydrophobicContact CD2-CB 3.91Å; F319-V339 HydrophobicContact CD2-CG1 3.36Å; F319-V339 HydrophobicContact CD2-CG2 4.43Å; F319-V339 HydrophobicContact CE2-CB 4.24Å; F319-V339 HydrophobicContact CE2-CG1 3.84Å; F319-V339 HydrophobicContact CG-CG1 3.74Å; E335-V339 WeakPolarHBondContact O-CG2 3.41Å; E335-V339 PolarHBondContact O-N 2.87Å; C336-V339 PolarHBondContact O-N 3.45Å; V339-A343 VanDerWaalsContact O-CB 3.29Å; V339-A343 WeakPolarHBondContact O-CB 3.25Å; V339-A343 PolarHBondContact O-N 2.61Å
340L94.3Very high93Very high9 Ų931.8 Ų31.85%0.04716%0.158CC..Hα-helixtrans-65-44.4178.5-68.4176000111.9F319 C336 N337 E342 A343 D344 W350F319-L340 HydrophobicContact CE2-CD2 4.09Å; F319-L340 HydrophobicContact CE2-CG 4.39Å; F319-L340 HydrophobicContact CZ-CD2 3.73Å; C336-L340 WeakPolarHBondContact O-CB 3.36Å; C336-L340 WeakPolarHBondContact O-CG 3.5Å; C336-L340 PolarHBondContact O-N 3.44Å; N337-L340 PolarHBondContact O-N 2.88Å; L340-E342 PolarHBondContact O-N 2.76Å; L340-A343 PolarHBondContact O-N 2.92Å; L340-D344 PolarHBondContact O-N 2.83Å; L340-W350 HydrophobicContact CD2-CD2 4.29Å; L340-W350 VanDerWaalsContact CD2-CE2 3.44Å; L340-W350 HydrophobicContact CD2-CH2 3.8Å; L340-W350 HydrophobicContact CD2-CZ2 3.24Å
341D94.8Very high93.4Very high80 Ų8031.8 Ų31.843%0.42816%0.158SC..Hα-helixtrans-63.7-42.1179-69.8-12.7000111.4N337 A338 D344 K345 K379N337-D341 VanDerWaalsContact O-CB 3.26Å; N337-D341 WeakPolarHBondContact O-CB 3.46Å; N337-D341 PolarHBondContact O-N 3.29Å; A338-D341 PolarHBondContact O-N 3.32Å; D341-D344 PolarHBondContact O-N 3.09Å; D341-K345 WeakPolarHBondContact O-CB 3.36Å; D341-K345 PolarHBondContact O-N 3.33Å; D341-K379 WeakPolarHBondContact OD1-CE 3.21Å; D341-K379 IonicContact OD1-NZ 3.25Å; D341-K379 PolarHBondContact OD1-NZ 3.1Å; D341-K379 IonicContact OD2-NZ 3.68Å
342E95.4Very high93.7Very high25 Ų2532.1 Ų32.112%0.11716%0.159CC..Hα-helixtrans-71-34.8177.5-164.371-173.600111.5L296 I300 A338 L340 K345 H346L296-E342 HydrophobicContact CD2-CB 3.71Å; L296-E342 HydrophobicContact CD2-CG 4.25Å; L296-E342 HydrophobicContact CG-CB 4.04Å; L296-E342 HydrophobicContact CG-CG 4.05Å; I300-E342 HydrophobicContact CG1-CG 3.96Å; A338-E342 WeakPolarHBondContact O-CB 3.26Å; A338-E342 PolarHBondContact O-N 3.22Å; L340-E342 PolarHBondContact O-N 2.76Å; E342-K345 IonicContact OE1-NZ 3.18Å; E342-K345 PolarHBondContact OE1-NZ 3.36Å; E342-K345 VanDerWaalsContact OE2-CD 3.27Å; E342-K345 WeakPolarHBondContact OE2-CD 3.45Å; E342-K345 IonicContact OE2-NZ 3.2Å; E342-K345 PolarHBondContact OE2-NZ 3.33Å; E342-H346 PolarHBondContact O-CD2 2.85Å; E342-H346 VanDerWaalsContact O-CD2 3.31Å; E342-H346 PolarHBondContact O-N 2.51Å; E342-H346 IonicContact OE1-CD2 3.29Å; E342-H346 PolarHBondContact OE1-CD2 3.29Å; E342-H346 IonicContact OE1-NE2 3.1Å; E342-H346 PolarHBondContact OE1-NE2 3.31Å
343A95.3Very high94.1Very high2 Ų233 Ų332%0.01716%0.161CC..Hα-helixtrans-63.3-44.317300000111.8V339 L340 H346 F347 E348V339-A343 VanDerWaalsContact O-CB 3.29Å; V339-A343 WeakPolarHBondContact O-CB 3.25Å; V339-A343 PolarHBondContact O-N 2.61Å; L340-A343 PolarHBondContact O-N 2.92Å; A343-H346 CarbonylContact O-C 3.54Å; A343-H346 PolarHBondContact O-N 2.85Å; A343-F347 PolarHBondContact O-N 2.69Å; A343-E348 HydrophobicContact CB-CB 4.06Å; A343-E348 PolarHBondContact O-N 2.82Å
344D94.9Very high93.8Very high72 Ų7235 Ų3539%0.38517%0.172SC..Hα-helixtrans-62.6-47.6176.7-78.2-16.2000111.7R11 L340 D341 H346 F347R11-D344 IonicContact CZ-OD1 3.44Å; R11-D344 IonicContact NE-OD1 2.64Å; R11-D344 IonicContact NH2-OD1 3.67Å; R11-D344 PolarHBondContact NH2-OD1 3.43Å; L340-D344 PolarHBondContact O-N 2.83Å; D341-D344 PolarHBondContact O-N 3.09Å; D344-H346 PolarHBondContact O-N 3.46Å; D344-H346 VanDerWaalsContact O-N 3.1Å; D344-F347 PolarHBondContact O-N 2.84Å
345K96.1Very high93.2Very high140 Ų14033.4 Ų33.461%0.60916%0.164SC*.Hα-helixtrans-54.3-31.8176.3177-169.8173.7-160.40113D341 E342D341-K345 WeakPolarHBondContact O-CB 3.36Å; D341-K345 PolarHBondContact O-N 3.33Å; E342-K345 IonicContact OE1-NZ 3.18Å; E342-K345 PolarHBondContact OE1-NZ 3.36Å; E342-K345 VanDerWaalsContact OE2-CD 3.27Å; E342-K345 WeakPolarHBondContact OE2-CD 3.45Å; E342-K345 IonicContact OE2-NZ 3.2Å; E342-K345 PolarHBondContact OE2-NZ 3.33Å
346H95.1Very high92.7Very high55 Ų5538.1 Ų38.126%0.25518%0.182SC..THydrogen-bonded Turntrans-104.36-178.5-75.2-71.5000114.4I300 R314 E342 A343 D344 E348I300-H346 HydrophobicContact CG2-CB 4.13Å; R314-H346 PolarHBondContact NH2-O 3.23Å; E342-H346 PolarHBondContact O-CD2 2.85Å; E342-H346 VanDerWaalsContact O-CD2 3.31Å; E342-H346 PolarHBondContact O-N 2.51Å; E342-H346 IonicContact OE1-CD2 3.29Å; E342-H346 PolarHBondContact OE1-CD2 3.29Å; E342-H346 IonicContact OE1-NE2 3.1Å; E342-H346 PolarHBondContact OE1-NE2 3.31Å; A343-H346 CarbonylContact O-C 3.54Å; A343-H346 PolarHBondContact O-N 2.85Å; D344-H346 PolarHBondContact O-N 3.46Å; D344-H346 VanDerWaalsContact O-N 3.1Å; H346-E348 PolarHBondContact O-N 3.02Å
347F93.9Very high92.3Very high119 Ų11938.6 Ų38.652%0.52218%0.184SC..THydrogen-bonded Turntrans51.237.2-175.9-145.4-103000112.6I7 L9 A343 D344I7-F347 HydrophobicContact CB-CE1 4.31Å; I7-F347 HydrophobicContact CG2-CD1 4.18Å; I7-F347 HydrophobicContact CG2-CE1 3.63Å; L9-F347 HydrophobicContact CB-CE1 4.08Å; L9-F347 HydrophobicContact CB-CZ 4.17Å; L9-F347 HydrophobicContact CD1-CD1 4.11Å; L9-F347 HydrophobicContact CD1-CE1 4.24Å; L9-F347 HydrophobicContact CD1-CG 4.42Å; L9-F347 HydrophobicContact CD2-CD2 4.4Å; L9-F347 HydrophobicContact CD2-CE1 4.47Å; L9-F347 HydrophobicContact CD2-CE2 4.05Å; L9-F347 HydrophobicContact CD2-CZ 4.1Å; A343-F347 PolarHBondContact O-N 2.69Å; D344-F347 PolarHBondContact O-N 2.84Å
348E95.1Very high91.7Very high1 Ų137.1 Ų37.11%0.00518%0.176CC..  trans-82.6130.6-176.2-168.466.8-139.500109.5R11 Y267 R314 F315 L316 A343 H346R11-E348 PolarHBondContact NH1-O 2.98Å; R11-E348 PolarHBondContact NH2-O 3.13Å; Y267-E348 WeakPolarHBondContact CE1-OE1 3.05Å; Y267-E348 WeakPolarHBondContact OH-CG 3.39Å; Y267-E348 PolarHBondContact OH-OE1 3.38Å; R314-E348 WeakPolarHBondContact CB-OE1 3.45Å; R314-E348 WeakPolarHBondContact CD-OE2 3.36Å; R314-E348 VanDerWaalsContact CG-OE1 3.24Å; R314-E348 WeakPolarHBondContact CG-OE1 3.47Å; R314-E348 WeakPolarHBondContact CG-OE2 3.13Å; R314-E348 IonicContact CZ-OE2 2.84Å; R314-E348 IonicContact NE-OE2 3.26Å; R314-E348 PolarHBondContact NE-OE2 3.23Å; R314-E348 IonicContact NH1-OE2 3.59Å; R314-E348 PolarHBondContact NH1-OE2 3.03Å; R314-E348 IonicContact NH2-OE2 3.95Å; F315-E348 WeakPolarHBondContact CA-OE1 3.26Å; F315-E348 PolarHBondContact N-OE1 3.26Å; F315-E348 VanDerWaalsContact N-OE1 3.16Å; L316-E348 HydrophobicContact CB-CG 4.18Å; A343-E348 HydrophobicContact CB-CB 4.06Å; A343-E348 PolarHBondContact O-N 2.82Å; H346-E348 PolarHBondContact O-N 3.02Å
349S97.6Very high91.1Very high12 Ų1239.4 Ų39.48%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-77.1151.2170.5-64.60000111F10 F315 L316F10-S349 PolarHBondContact N-OG 3.43Å; F10-S349 CarbonylContact O-C 3.51Å; F10-S349 VanDerWaalsContact O-CA 3.29Å; F10-S349 WeakPolarHBondContact O-CA 3.46Å; F10-S349 WeakPolarHBondContact O-CB 3.29Å; F315-S349 VanDerWaalsContact CE2-CB 3.43Å; L316-S349 PolarHBondContact N-O 3.46Å
350W97.7Very high90.2Very high5 Ų548.1 Ų48.12%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-149.2157.4-179.357-115.7000116F10 R11 G12 F315 L316 F319 L340 F352 W380F10-W350 PolarHBondContact O-N 3.16Å; R11-W350 HydrophobicContact CB-CZ2 4.47Å; R11-W350 VanDerWaalsContact CD-CZ2 3.4Å; R11-W350 VanDerWaalsContact CD-NE1 3.3Å; G12-W350 PolarHBondContact N-O 2.89Å; G12-W350 VanDerWaalsContact N-O 3.07Å; G12-W350 WeakPolarHBondContact O-CZ3 3.5Å; F315-W350 VanDerWaalsContact CE1-C 3.48Å; L316-W350 HydrophobicContact CB-CB 3.93Å; L316-W350 HydrophobicContact CD2-CB 4.12Å; L316-W350 HydrophobicContact CG-CB 4.19Å; L316-W350 CarbonylContact O-C 3.57Å; L316-W350 WeakPolarHBondContact O-CA 3.14Å; L316-W350 WeakPolarHBondContact O-CB 3.13Å; F319-W350 HydrophobicContact CD1-CB 4.29Å; F319-W350 HydrophobicContact CE1-CB 3.82Å; F319-W350 AromaticContact CE1-CD2 3.75Å; F319-W350 HydrophobicContact CE1-CD2 3.75Å; F319-W350 AromaticContact CE1-CE3 3.59Å; F319-W350 HydrophobicContact CE1-CE3 3.59Å; F319-W350 AromaticContact CE1-CG 3.86Å; F319-W350 HydrophobicContact CE1-CG 3.86Å; F319-W350 HydrophobicContact CE1-CZ3 4.21Å; F319-W350 HydrophobicContact CZ-CD2 4.01Å; F319-W350 AromaticContact CZ-CE3 3.9Å; F319-W350 HydrophobicContact CZ-CE3 3.9Å; F319-W350 HydrophobicContact CZ-CG 4.37Å; F319-W350 HydrophobicContact CZ-CH2 4.49Å; F319-W350 HydrophobicContact CZ-CZ3 4.13Å; L340-W350 HydrophobicContact CD2-CD2 4.29Å; L340-W350 VanDerWaalsContact CD2-CE2 3.44Å; L340-W350 HydrophobicContact CD2-CH2 3.8Å; L340-W350 HydrophobicContact CD2-CZ2 3.24Å; W350-F352 HydrophobicContact CE3-CB 4.5Å; W350-F352 HydrophobicContact CZ3-CB 4.14Å; W350-W380 HydrophobicContact CH2-CE3 4.29Å; W350-W380 AromaticContact CH2-CH2 3.06Å; W350-W380 HydrophobicContact CH2-CH2 3.06Å; W350-W380 AromaticContact CH2-CZ2 3.87Å; W350-W380 HydrophobicContact CH2-CZ2 3.87Å; W350-W380 AromaticContact CH2-CZ3 3.22Å; W350-W380 HydrophobicContact CH2-CZ3 3.22Å; W350-W380 HydrophobicContact CZ2-CH2 4.08Å; W350-W380 AromaticContact CZ2-CZ3 3.89Å; W350-W380 HydrophobicContact CZ2-CZ3 3.89Å; W350-W380 AromaticContact CZ3-CH2 3.65Å; W350-W380 HydrophobicContact CZ3-CH2 3.65Å; W350-W380 AromaticContact CZ3-CZ3 3.95Å; W350-W380 HydrophobicContact CZ3-CZ3 3.95Å
351T97.6Very high89.5Confident0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-128119.5166.939.20000110.3G12 N14 V43 R45 F315 L316 T317 E318G12-T351 WeakPolarHBondContact O-CA 3.25Å; N14-T351 PolarHBondContact ND2-O 2.8Å; V43-T351 HydrophobicContact CG1-CG2 3.7Å; R45-T351 HydrophobicContact CB-CG2 4.1Å; F315-T351 HydrophobicContact CE1-CG2 4.07Å; F315-T351 HydrophobicContact CZ-CG2 4.38Å; L316-T351 PolarHBondContact O-N 3.32Å; T317-T351 CarbonylContact C-O 3.54Å; T317-T351 VanDerWaalsContact CA-OG1 3.24Å; T317-T351 WeakPolarHBondContact CA-OG1 3.31Å; T317-T351 PolarHBondContact O-OG1 3.02Å; E318-T351 WeakPolarHBondContact CA-O 3.38Å
352F95.3Very high88.6Confident13 Ų1349.1 Ų49.16%0.05726%0.256CS..EExtended strand (participates in β ladder)trans-70.9149.7177.6177.4-93.9000112.3G12 F13 N14 F319 G320 C322 W350 D354 F357 F370G12-F352 PolarHBondContact O-N 3.08Å; F13-F352 CarbonylContact C-O 3.45Å; F13-F352 VanDerWaalsContact CA-O 3.24Å; F13-F352 WeakPolarHBondContact CA-O 3.4Å; F13-F352 HydrophobicContact CB-CB 4.48Å; N14-F352 PolarHBondContact N-O 3.3Å; N14-F352 PolarHBondContact ND2-O 3.42Å; F319-F352 HydrophobicContact CD2-CD2 4.33Å; F319-F352 HydrophobicContact CE1-CB 3.98Å; F319-F352 HydrophobicContact CE1-CD2 4.43Å; F319-F352 AromaticContact CE2-CD2 3.86Å; F319-F352 HydrophobicContact CE2-CD2 3.86Å; F319-F352 HydrophobicContact CZ-CB 4.05Å; F319-F352 AromaticContact CZ-CD2 3.91Å; F319-F352 HydrophobicContact CZ-CD2 3.91Å; F319-F352 HydrophobicContact CZ-CG 4.49Å; F319-F352 CarbonylContact O-C 3.45Å; F319-F352 WeakPolarHBondContact O-CA 3.44Å; G320-F352 VanDerWaalsContact CA-CE2 3.47Å; C322-F352 WeakPolarHBondContact O-CE2 3.1Å; C322-F352 WeakPolarHBondContact O-CZ 3.38Å; W350-F352 HydrophobicContact CE3-CB 4.5Å; W350-F352 HydrophobicContact CZ3-CB 4.14Å; F352-D354 WeakPolarHBondContact CD1-O 3.27Å; F352-F357 AromaticContact CD1-CE1 3.7Å; F352-F357 HydrophobicContact CD1-CE1 3.7Å; F352-F357 AromaticContact CD1-CZ 3.64Å; F352-F357 HydrophobicContact CD1-CZ 3.64Å; F352-F357 AromaticContact CE1-CE1 3.79Å; F352-F357 HydrophobicContact CE1-CE1 3.79Å; F352-F357 HydrophobicContact CE1-CZ 4.2Å; F352-F370 HydrophobicContact CD2-CZ 4.46Å; F352-F370 HydrophobicContact CE2-CE2 4.41Å; F352-F370 HydrophobicContact CE2-CZ 4.02Å; F352-F370 HydrophobicContact CZ-CZ 4.47Å
353W92.5Very high87.9Confident37 Ų3752 Ų5214%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-108.4116.7171.9-172.2-87.2000110.7N14 V16 H87 Y270 E318 F319 L321N14-W353 HydrophobicContact CB-CD2 4.37Å; N14-W353 HydrophobicContact CB-CE3 3.4Å; N14-W353 HydrophobicContact CB-CZ3 3.65Å; V16-W353 HydrophobicContact CB-CH2 4.03Å; V16-W353 HydrophobicContact CB-CZ3 4.32Å; V16-W353 HydrophobicContact CG1-CH2 4.48Å; V16-W353 HydrophobicContact CG2-CH2 4.16Å; V16-W353 HydrophobicContact CG2-CZ3 3.95Å; H87-W353 AromaticContact CE1-CH2 3.65Å; H87-W353 AromaticContact CE1-CZ3 3.5Å; H87-W353 VanDerWaalsContact CE1-CZ3 3.5Å; H87-W353 WeakPolarHBondContact CE1-CZ3 3.48Å; H87-W353 AromaticContact NE2-CH2 3.51Å; H87-W353 AromaticContact NE2-CZ3 3.86Å; Y270-W353 VanDerWaalsContact OH-CB 3.23Å; Y270-W353 WeakPolarHBondContact OH-CB 3.4Å; Y270-W353 VanDerWaalsContact OH-CG 3.3Å; E318-W353 HydrophobicContact CG-CB 3.63Å; E318-W353 HydrophobicContact CG-CD2 4.09Å; E318-W353 HydrophobicContact CG-CE3 3.75Å; E318-W353 HydrophobicContact CG-CG 4.06Å; F319-W353 PolarHBondContact O-N 2.79Å; L321-W353 PolarHBondContact N-O 3.44Å
354D81.8Confident87.1Confident50 Ų5055 Ų5527%0.26729%0.291SS..  cis-119.8-168.74.959.436000112.4F352 Y356 F357F352-D354 WeakPolarHBondContact CD1-O 3.27Å; D354-Y356 HydrophobicContact CB-CD2 4.24Å; D354-Y356 HydrophobicContact CB-CE2 4.44Å; D354-Y356 WeakPolarHBondContact OD1-CB 3.36Å; D354-Y356 WeakPolarHBondContact OD1-CD2 3.31Å; D354-Y356 PolarHBondContact OD1-N 3.12Å; D354-Y356 WeakPolarHBondContact OD2-CD2 3.37Å; D354-Y356 WeakPolarHBondContact OD2-CE2 3.24Å; D354-F357 WeakPolarHBondContact O-CZ 3.11Å
355G77.9Confident86.1Confident3 Ų354.2 Ų54.23%0.03129%0.287CS..  trans-869-17900000116.1N14 F357N14-G355 WeakPolarHBondContact O-CA 3.48Å; N14-G355 PolarHBondContact O-N 3.5Å; G355-F357 PolarHBondContact O-N 2.98Å
356Y80.9Confident84.7Confident111 Ų11155.8 Ų55.844%0.43530%0.296SS..  trans-83.262.7-176.8-58-57.6000112.1Q24 D354Q24-Y356 VanDerWaalsContact NE2-CE1 3.29Å; D354-Y356 HydrophobicContact CB-CD2 4.24Å; D354-Y356 HydrophobicContact CB-CE2 4.44Å; D354-Y356 WeakPolarHBondContact OD1-CB 3.36Å; D354-Y356 WeakPolarHBondContact OD1-CD2 3.31Å; D354-Y356 PolarHBondContact OD1-N 3.12Å; D354-Y356 WeakPolarHBondContact OD2-CD2 3.37Å; D354-Y356 WeakPolarHBondContact OD2-CE2 3.24Å
357F81.5Confident83.1Confident10 Ų1056 Ų564%0.04430%0.304CS..  trans-85.8-8.6178.7-55-59.9000114.3F13 F36 W39 F352 D354 G355 P364 I365 A368F13-F357 HydrophobicContact CB-CE2 3.6Å; F13-F357 HydrophobicContact CB-CZ 3.78Å; F13-F357 AromaticContact CD1-CE2 3.77Å; F13-F357 HydrophobicContact CD1-CE2 3.77Å; F13-F357 AromaticContact CD2-CE2 3.95Å; F13-F357 HydrophobicContact CD2-CE2 3.95Å; F13-F357 HydrophobicContact CE1-CE2 4.4Å; F13-F357 HydrophobicContact CG-CD2 4.49Å; F13-F357 AromaticContact CG-CE2 3.51Å; F13-F357 HydrophobicContact CG-CE2 3.51Å; F13-F357 HydrophobicContact CG-CZ 4.21Å; F36-F357 HydrophobicContact CE1-CB 4.3Å; F36-F357 AromaticContact CE1-CD2 3.77Å; F36-F357 HydrophobicContact CE1-CD2 3.77Å; F36-F357 HydrophobicContact CZ-CD2 4.22Å; W39-F357 HydrophobicContact CH2-CB 4.05Å; W39-F357 HydrophobicContact CZ3-CB 3.83Å; W39-F357 HydrophobicContact CZ3-CD2 4.29Å; W39-F357 HydrophobicContact CZ3-CG 4.1Å; F352-F357 AromaticContact CD1-CE1 3.7Å; F352-F357 HydrophobicContact CD1-CE1 3.7Å; F352-F357 AromaticContact CD1-CZ 3.64Å; F352-F357 HydrophobicContact CD1-CZ 3.64Å; F352-F357 AromaticContact CE1-CE1 3.79Å; F352-F357 HydrophobicContact CE1-CE1 3.79Å; F352-F357 HydrophobicContact CE1-CZ 4.2Å; D354-F357 WeakPolarHBondContact O-CZ 3.11Å; G355-F357 PolarHBondContact O-N 2.98Å; F357-P364 CarbonylContact O-C 3.1Å; F357-P364 WeakPolarHBondContact O-CA 3.2Å; F357-I365 PolarHBondContact O-N 3.33Å; F357-A368 HydrophobicContact CD1-CB 3.94Å; F357-A368 VanDerWaalsContact CD1-O 3.31Å; F357-A368 WeakPolarHBondContact CD1-O 3.23Å
358I79.5Confident81.4Confident19 Ų1951.3 Ų51.310%0.09729%0.287CS..BIsolated β-bridgetrans-126.7135.6-170.9-56.8-158.6000109.7Q32 M35 F36 G362 N363Q32-I358 HydrophobicContact CB-CD1 3.74Å; Q32-I358 HydrophobicContact CG-CD1 3.57Å; Q32-I358 HydrophobicContact CG-CG1 4.36Å; M35-I358 HydrophobicContact CE-CD1 3.59Å; M35-I358 HydrophobicContact CE-CG1 4.3Å; M35-I358 HydrophobicContact SD-CD1 3.67Å; F36-I358 HydrophobicContact CE1-CD1 4.46Å; I358-G362 WeakPolarHBondContact CG2-O 2.91Å; I358-N363 CarbonylContact C-O 3.58Å; I358-N363 WeakPolarHBondContact CA-O 2.82Å; I358-N363 WeakPolarHBondContact CG2-O 3.45Å
359D80Confident79.4Confident62 Ų6252 Ų5233%0.33229%0.292SS..  trans-75.2174.417773.814.6000112.4A361 G362 N363 I365D359-A361 PolarHBondContact O-N 2.69Å; D359-A361 VanDerWaalsContact O-N 3.12Å; D359-A361 VanDerWaalsContact OD1-C 3.27Å; D359-A361 VanDerWaalsContact OD1-CA 3.25Å; D359-A361 WeakPolarHBondContact OD1-CA 3.39Å; D359-A361 WeakPolarHBondContact OD1-CB 3.5Å; D359-A361 PolarHBondContact OD1-N 3.32Å; D359-G362 PolarHBondContact O-N 2.94Å; D359-G362 PolarHBondContact OD1-N 3.46Å; D359-N363 PolarHBondContact N-O 2.82Å; D359-N363 PolarHBondContact OD1-N 2.83Å; D359-N363 PolarHBondContact OD2-ND2 2.59Å; D359-I365 HydrophobicContact CB-CD1 4.49Å; D359-I365 HydrophobicContact CB-CG1 4.04Å
360N77.1Confident77.3Confident186 Ų18652.5 Ų52.5100%0.99529%0.292SS*.THydrogen-bonded Turntrans-64.5-15.9179-68-24.8000113.8
361A79.3Confident74.7Confident78 Ų7858.3 Ų58.365%0.64532%0.319SS*.THydrogen-bonded Turntrans-92.2-1.4176.500000112.6D359 N363D359-A361 PolarHBondContact O-N 2.69Å; D359-A361 VanDerWaalsContact O-N 3.12Å; D359-A361 VanDerWaalsContact OD1-C 3.27Å; D359-A361 VanDerWaalsContact OD1-CA 3.25Å; D359-A361 WeakPolarHBondContact OD1-CA 3.39Å; D359-A361 WeakPolarHBondContact OD1-CB 3.5Å; D359-A361 PolarHBondContact OD1-N 3.32Å; A361-N363 WeakPolarHBondContact CB-ND2 3.46Å
362G77Confident71.8Confident31 Ų3159.7 Ų59.732%0.3233%0.329SS..SBendtrans85.89.1-17900000114.1I358 D359I358-G362 WeakPolarHBondContact CG2-O 2.91Å; D359-G362 PolarHBondContact O-N 2.94Å; D359-G362 PolarHBondContact OD1-N 3.46Å
363N80.6Confident68.7Low87 Ų8764.3 Ų64.347%0.46536%0.363SS..  trans-91.5144.4178.3-52.3-64.6000111.2I358 D359 A361 I365I358-N363 CarbonylContact C-O 3.58Å; I358-N363 WeakPolarHBondContact CA-O 2.82Å; I358-N363 WeakPolarHBondContact CG2-O 3.45Å; D359-N363 PolarHBondContact N-O 2.82Å; D359-N363 PolarHBondContact OD1-N 2.83Å; D359-N363 PolarHBondContact OD2-ND2 2.59Å; A361-N363 WeakPolarHBondContact CB-ND2 3.46Å; N363-I365 PolarHBondContact O-N 3.47Å
364P78.5Confident65.8Low63 Ų6370.2 Ų70.241%0.40940%0.396SS..BIsolated β-bridgetrans-62131.3172.617-19.8000111.4M35 W39 F357 Q366 V369M35-P364 HydrophobicContact CE-CB 3.75Å; M35-P364 HydrophobicContact CE-CG 3.59Å; W39-P364 HydrophobicContact CH2-CB 4.06Å; W39-P364 HydrophobicContact CZ2-CB 3.85Å; W39-P364 HydrophobicContact CZ2-CG 4.49Å; F357-P364 CarbonylContact O-C 3.1Å; F357-P364 WeakPolarHBondContact O-CA 3.2Å; P364-Q366 PolarHBondContact O-N 3.5Å; P364-V369 HydrophobicContact CB-CG2 3.74Å
365I73.8Confident63.4Low57 Ų5770.6 Ų70.629%0.29240%0.403SS..  trans-74111.4174.4-63.2169.6000107F357 D359 N363 S367 A368 V369F357-I365 PolarHBondContact O-N 3.33Å; D359-I365 HydrophobicContact CB-CD1 4.49Å; D359-I365 HydrophobicContact CB-CG1 4.04Å; N363-I365 PolarHBondContact O-N 3.47Å; I365-S367 WeakPolarHBondContact CG2-OG 3.25Å; I365-S367 PolarHBondContact O-N 2.92Å; I365-S367 VanDerWaalsContact O-N 3.08Å; I365-A368 HydrophobicContact CB-CB 3.98Å; I365-A368 HydrophobicContact CG2-CB 4.03Å; I365-A368 WeakPolarHBondContact O-CA 3.29Å; I365-A368 PolarHBondContact O-N 3.15Å; I365-V369 PolarHBondContact O-N 2.84Å
366Q65.7Low61Low172 Ų17276.9 Ų76.980%0.80445%0.446SS*.THydrogen-bonded Turntrans-56.5-32.9-171.5-160.6172.214.500113.1P364 A368P364-Q366 PolarHBondContact O-N 3.5Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 PolarHBondContact O-N 2.64Å
367S62.4Low58.5Low60 Ų6076 Ų7642%0.4245%0.452SS..THydrogen-bonded Turntrans-75.6-14.9177.661.70000115D324 I365D324-S367 PolarHBondContact N-O 3.25Å; D324-S367 WeakPolarHBondContact O-CA 3.36Å; I365-S367 WeakPolarHBondContact CG2-OG 3.25Å; I365-S367 PolarHBondContact O-N 2.92Å; I365-S367 VanDerWaalsContact O-N 3.08Å
368A57.9Low56.2Low20 Ų2079 Ų7917%0.16547%0.468CS..THydrogen-bonded Turntrans-104.1-12.3-17700000112.1F357 I365 Q366F357-A368 HydrophobicContact CD1-CB 3.94Å; F357-A368 VanDerWaalsContact CD1-O 3.31Å; F357-A368 WeakPolarHBondContact CD1-O 3.23Å; I365-A368 HydrophobicContact CB-CB 3.98Å; I365-A368 HydrophobicContact CG2-CB 4.03Å; I365-A368 WeakPolarHBondContact O-CA 3.29Å; I365-A368 PolarHBondContact O-N 3.15Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 PolarHBondContact O-N 2.64Å
369V54Low54.4Low17 Ų1780.8 Ų80.810%0.10348%0.476CS..SBendtrans-108.5103.7179.3-175.80000108.8W39 P364 I365 H371W39-V369 HydrophobicContact CD2-CG1 4.38Å; W39-V369 HydrophobicContact CH2-CB 4.28Å; W39-V369 HydrophobicContact CH2-CG1 4.02Å; W39-V369 HydrophobicContact CH2-CG2 3.22Å; W39-V369 HydrophobicContact CZ2-CB 4.4Å; W39-V369 HydrophobicContact CZ2-CG1 3.76Å; W39-V369 HydrophobicContact CZ2-CG2 3.67Å; W39-V369 HydrophobicContact CZ3-CG1 4.39Å; W39-V369 HydrophobicContact CZ3-CG2 3.82Å; P364-V369 HydrophobicContact CB-CG2 3.74Å; I365-V369 PolarHBondContact O-N 2.84Å; V369-H371 PolarHBondContact O-N 3Å
370F52.4Low52.6Low22 Ų2279.9 Ų79.910%0.09647%0.468CS..  trans-64.6116.4-176.7-54.9-92.2000111.4D324 C336 F352 W380D324-F370 HydrophobicContact CB-CD1 4.14Å; C336-F370 HydrophobicContact CB-CD1 4.46Å; C336-F370 HydrophobicContact CB-CE1 3.46Å; C336-F370 VanDerWaalsContact CB-CE1 3.46Å; C336-F370 HydrophobicContact CB-CZ 3.96Å; C336-F370 VanDerWaalsContact SG-CE1 3.54Å; C336-F370 WeakPolarHBondContact SG-CZ 3.42Å; F352-F370 HydrophobicContact CD2-CZ 4.46Å; F352-F370 HydrophobicContact CE2-CE2 4.41Å; F352-F370 HydrophobicContact CE2-CZ 4.02Å; F352-F370 HydrophobicContact CZ-CZ 4.47Å; F370-W380 AromaticContact CD2-CZ2 3.84Å; F370-W380 HydrophobicContact CD2-CZ2 3.84Å; F370-W380 HydrophobicContact CE2-CZ2 4.47Å; F370-W380 PolarHBondContact O-NE1 3.28Å
371H42.3Very low50.3Low127 Ų12777.4 Ų77.459%0.58845%0.45SS*.  trans-11095169.4-100.3-72.3000109V369 S373V369-H371 PolarHBondContact O-N 3Å; H371-S373 VanDerWaalsContact C-N 3.32Å; H371-S373 PolarHBondContact O-N 2.93Å
372S37.2Very low47.8Very low28 Ų2878 Ų7820%0.19644%0.441CS..  trans-7189172.364.60000110.3L374 V377S372-L374 PolarHBondContact O-N 3.38Å; S372-V377 PolarHBondContact OG-O 3.47Å
373S31.2Very low45.2Very low110 Ų11081.4 Ų81.477%0.76946%0.46SS*.THydrogen-bonded Turntrans-79.4617458.50000113.9H371H371-S373 VanDerWaalsContact C-N 3.32Å; H371-S373 PolarHBondContact O-N 2.93Å
374L30.9Very low42.5Very low161 Ų16186 Ų8684%0.84348%0.479SS*.THydrogen-bonded Turntrans-126.214.1-173.2-75.7167.9000116.1S372S372-L374 PolarHBondContact O-N 3.38Å
375S32.2Very low39.9Very low59 Ų5986.6 Ų86.641%0.41349%0.489SS..SBendtrans-142.8139162.953.80000108.8V377S375-V377 PolarHBondContact O-N 2.82Å
376S27.2Very low37.5Very low134 Ų13489.9 Ų89.994%0.93751%0.512SS*.SBendtrans-65.329.9177.841.80000114.8
377V28.8Very low35.5Very low92 Ų9290.7 Ų90.756%0.55851%0.513SS*.SBendtrans-139.1110.6174.8-174.70000105.7S372 S375 K379S372-V377 PolarHBondContact OG-O 3.47Å; S375-V377 PolarHBondContact O-N 2.82Å; V377-K379 PolarHBondContact O-N 2.84Å; V377-K379 VanDerWaalsContact O-N 3.08Å
378N32.2Very low33.5Very low73 Ų7396.7 Ų96.739%0.3954%0.535SS..  trans-56.1113163.4-86.2-31.4000106.5W380 E381N378-W380 PolarHBondContact O-N 2.91Å; N378-E381 HydrophobicContact CB-CB 3.96Å; N378-E381 HydrophobicContact CB-CG 3.74Å; N378-E381 PolarHBondContact ND2-OE1 3.03Å; N378-E381 PolarHBondContact O-N 3.04Å
379K41.9Very low32.2Very low57 Ų57104.6 Ų104.625%0.24859%0.589CS.*THydrogen-bonded Turntrans-59.8-5.7179.9-72.3-174.6174.3-171.30114N337 D341 V377N337-K379 PolarHBondContact OD1-NZ 3.28Å; D341-K379 WeakPolarHBondContact OD1-CE 3.21Å; D341-K379 IonicContact OD1-NZ 3.25Å; D341-K379 PolarHBondContact OD1-NZ 3.1Å; D341-K379 IonicContact OD2-NZ 3.68Å; V377-K379 PolarHBondContact O-N 2.84Å; V377-K379 VanDerWaalsContact O-N 3.08Å
380W42.6Very low31.1Very low43 Ų43109 Ų10916%0.16361%0.613CS.*THydrogen-bonded Turntrans-107.6-7.4177.3-69116.2000114.8R11 W39 L41 W350 F370 N378 I382R11-W380 HydrophobicContact CB-CZ3 4.42Å; W39-W380 WeakPolarHBondContact O-CB 3.47Å; L41-W380 HydrophobicContact CD2-CE3 3.85Å; L41-W380 HydrophobicContact CD2-CH2 3.46Å; L41-W380 VanDerWaalsContact CD2-CH2 3.46Å; L41-W380 HydrophobicContact CD2-CZ3 3.06Å; L41-W380 HydrophobicContact CG-CZ3 4.3Å; W350-W380 HydrophobicContact CH2-CE3 4.29Å; W350-W380 AromaticContact CH2-CH2 3.06Å; W350-W380 HydrophobicContact CH2-CH2 3.06Å; W350-W380 AromaticContact CH2-CZ2 3.87Å; W350-W380 HydrophobicContact CH2-CZ2 3.87Å; W350-W380 AromaticContact CH2-CZ3 3.22Å; W350-W380 HydrophobicContact CH2-CZ3 3.22Å; W350-W380 HydrophobicContact CZ2-CH2 4.08Å; W350-W380 AromaticContact CZ2-CZ3 3.89Å; W350-W380 HydrophobicContact CZ2-CZ3 3.89Å; W350-W380 AromaticContact CZ3-CH2 3.65Å; W350-W380 HydrophobicContact CZ3-CH2 3.65Å; W350-W380 AromaticContact CZ3-CZ3 3.95Å; W350-W380 HydrophobicContact CZ3-CZ3 3.95Å; F370-W380 AromaticContact CD2-CZ2 3.84Å; F370-W380 HydrophobicContact CD2-CZ2 3.84Å; F370-W380 HydrophobicContact CE2-CZ2 4.47Å; F370-W380 PolarHBondContact O-NE1 3.28Å; N378-W380 PolarHBondContact O-N 2.91Å; W380-I382 PolarHBondContact O-N 3.21Å; W380-I382 VanDerWaalsContact O-N 3.13Å
381E27.7Very low30Very low134 Ų134113.6 Ų113.663%0.62664%0.64SS**  trans-8293.8174.7-84.5176.1-17000110.2N378 S383N378-E381 HydrophobicContact CB-CB 3.96Å; N378-E381 HydrophobicContact CB-CG 3.74Å; N378-E381 PolarHBondContact ND2-OE1 3.03Å; N378-E381 PolarHBondContact O-N 3.04Å; E381-S383 PolarHBondContact O-N 3.15Å; E381-S383 VanDerWaalsContact O-N 3.15Å
382I27.5Very low29.3Very low91 Ų91112.8 Ų112.847%0.46764%0.643SS.*  trans-67.6107.9153.1-58.9176.3000105.1W380 Q384W380-I382 PolarHBondContact O-N 3.21Å; W380-I382 VanDerWaalsContact O-N 3.13Å; I382-Q384 PolarHBondContact O-N 3.18Å
383S23.3Very low28.8Very low102 Ų102117.8 Ų117.871%0.71367%0.67SS**  trans-48.411317461.70000108.5E381 A385E381-S383 PolarHBondContact O-N 3.15Å; E381-S383 VanDerWaalsContact O-N 3.15Å; S383-A385 VanDerWaalsContact C-N 3.3Å; S383-A385 PolarHBondContact O-N 3.22Å
384Q23.5Very low28.7Very low185 Ų185118.3 Ų118.386%0.86466%0.663SS**  trans-58.4105.6160.4-75.1-165.2-1000105.4I382 T386I382-Q384 PolarHBondContact O-N 3.18Å; Q384-T386 VanDerWaalsContact C-N 3.27Å; Q384-T386 PolarHBondContact O-N 2.96Å
385A23.2Very low28.5Very low75 Ų75115.5 Ų115.562%0.6265%0.651SS**  trans-57105.416000000105.1S383 F387S383-A385 VanDerWaalsContact C-N 3.3Å; S383-A385 PolarHBondContact O-N 3.22Å; A385-F387 PolarHBondContact O-N 3.32Å
386T22.5Very low28.3Very low126 Ų126119.5 Ų119.577%0.77367%0.668SS**  trans-51.9106.6170.521.30000107.6Q384 Q388Q384-T386 VanDerWaalsContact C-N 3.27Å; Q384-T386 PolarHBondContact O-N 2.96Å; T386-Q388 PolarHBondContact O-N 2.81Å
387F24Very low28.4Very low189 Ų189118.4 Ų118.483%0.82965%0.648SS**  trans-6989.1159.9-79-87.7000106.8A385A385-F387 PolarHBondContact O-N 3.32Å
388Q20.5Very low28.3Very low186 Ų186120.6 Ų120.687%0.86966%0.655SS**  trans-85.5109.3152.9-80.2-173.3-18.300107.4T386T386-Q388 PolarHBondContact O-N 2.81Å
389S30.9Very low28Very low186 Ų186124.9 Ų124.9100%1.30168%0.679SS**  trans-139.10148.166.70000108.4

Retrieved 389 of 389 residues in 101.6 ms (Link to these results)

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