A0A077ZIX4_TRITR Loading...

Trafficking protein particle complex subunit 2

AlphaFold DB , UniProt , Accession A0A077ZIX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 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
1M39.4Very low76.3Confident238 Ų23888.3 Ų88.3100%1.17246%0.461SS*.  0104.90-82.6173161.300106.5K3M1-K3 PolarHBondContact O-N 2.95Å; M1-K3 VanDerWaalsContact O-N 3.07Å
2D48.6Very low78.1Confident158 Ų15880.9 Ų80.985%0.84542%0.422SS*.  trans-65.8106.4171.6-175.523.8000106.8S4D2-S4 VanDerWaalsContact C-N 3.26Å; D2-S4 PolarHBondContact O-N 3.25Å
3K55.9Low79.7Confident190 Ų19074.7 Ų74.783%0.82639%0.39SS*.  trans-70.896.2172.2-75.6-174.8178.41790104.8M1 V5M1-K3 PolarHBondContact O-N 2.95Å; M1-K3 VanDerWaalsContact O-N 3.07Å; K3-V5 PolarHBondContact O-N 3.05Å
4S68.2Low81Confident100 Ų10069.4 Ų69.470%0.69936%0.362SS*.PPolyproline II helixtrans-48.1118.517258.40000108D2D2-S4 VanDerWaalsContact C-N 3.26Å; D2-S4 PolarHBondContact O-N 3.25Å
5V69.7Low82Confident96 Ų9665.3 Ų65.358%0.58234%0.341SS*.PPolyproline II helixtrans-51.5129.2-179.9178.20000108K3 K7K3-V5 PolarHBondContact O-N 3.05Å; V5-K7 PolarHBondContact O-N 3.33Å
6P82.5Confident82.8Confident54 Ų5470.5 Ų70.535%0.35136%0.355SS..PPolyproline II helixtrans-56134.817923.1-32.6000109.4E8 T90P6-E8 HydrophobicContact CB-CG 4.43Å; P6-E8 PolarHBondContact O-N 3.15Å; P6-T90 PolarHBondContact O-OG1 3.06Å
7K89.9Confident83.5Confident91 Ų9173.8 Ų73.840%0.39636%0.363SS..PPolyproline II helixtrans-70.2118.8172-64.9-174.5-171.5161.70107.4V5 Y9 C91 C142V5-K7 PolarHBondContact O-N 3.33Å; K7-Y9 HydrophobicContact CB-CE2 4.39Å; K7-C91 HydrophobicContact CG-CB 4.16Å; K7-C142 HydrophobicContact CB-CB 4.27Å; K7-C142 PolarHBondContact O-SG 2.89Å
8E94Very high84.2Confident33 Ų3374.1 Ų74.115%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-130143.3177.8-62.3-171.7-157.700109.4P6 F26 K40 W72 H89 T90P6-E8 HydrophobicContact CB-CG 4.43Å; P6-E8 PolarHBondContact O-N 3.15Å; E8-F26 WeakPolarHBondContact CA-O 3.38Å; E8-K40 IonicContact OE2-NZ 3.75Å; E8-K40 PolarHBondContact OE2-NZ 2.95Å; E8-W72 HydrophobicContact CB-CH2 3.54Å; E8-W72 HydrophobicContact CB-CZ2 4.5Å; E8-W72 HydrophobicContact CB-CZ3 4.06Å; E8-W72 HydrophobicContact CG-CH2 4.44Å; E8-W72 WeakPolarHBondContact OE2-CH2 3.24Å; E8-H89 VanDerWaalsContact O-CA 3.31Å; E8-H89 WeakPolarHBondContact O-CA 3.32Å; E8-T90 HydrophobicContact CB-CG2 4.09Å; E8-T90 PolarHBondContact N-OG1 3.46Å; E8-T90 PolarHBondContact O-N 3.44Å; E8-T90 VanDerWaalsContact O-N 3.14Å
9Y96.4Very high84.9Confident3 Ų373.5 Ų73.51%0.01237%0.369CS..EExtended strand (participates in β ladder)trans-132.5141.7174.3-56.8-96.9000109.3K7 F26 M87 L88 H89 C91 N93 I97 L140K7-Y9 HydrophobicContact CB-CE2 4.39Å; Y9-F26 PolarHBondContact N-O 2.84Å; Y9-F26 PolarHBondContact O-N 2.78Å; Y9-M87 HydrophobicContact CD1-CG 4.37Å; Y9-M87 HydrophobicContact CD1-SD 4.06Å; Y9-M87 HydrophobicContact CG-SD 4.42Å; Y9-L88 CarbonylContact C-O 3.37Å; Y9-L88 VanDerWaalsContact CA-O 3.26Å; Y9-L88 WeakPolarHBondContact CA-O 3.44Å; Y9-H89 HydrophobicContact CD1-CB 3.6Å; Y9-H89 HydrophobicContact CE1-CB 3.87Å; Y9-H89 HydrophobicContact CG-CB 4.47Å; Y9-C91 PolarHBondContact OH-SG 3.36Å; Y9-N93 HydrophobicContact CE1-CB 4.28Å; Y9-N93 WeakPolarHBondContact OH-CB 3.46Å; Y9-N93 PolarHBondContact OH-ND2 3.13Å; Y9-I97 HydrophobicContact CE1-CD1 4.35Å; Y9-I97 HydrophobicContact CE1-CG1 4.32Å; Y9-L140 HydrophobicContact CD1-CB 4.29Å; Y9-L140 HydrophobicContact CD1-CD1 4.44Å; Y9-L140 HydrophobicContact CD1-CD2 3.97Å; Y9-L140 HydrophobicContact CD1-CG 4.46Å; Y9-L140 HydrophobicContact CD2-CB 3.85Å; Y9-L140 HydrophobicContact CE1-CB 4.4Å; Y9-L140 HydrophobicContact CE1-CD2 3.99Å; Y9-L140 HydrophobicContact CE2-CB 3.97Å; Y9-L140 WeakPolarHBondContact CE2-O 3.4Å; Y9-L140 HydrophobicContact CG-CB 4.02Å; Y9-L140 HydrophobicContact CG-CD1 4.28Å; Y9-L140 HydrophobicContact CG-CD2 4.48Å; Y9-L140 HydrophobicContact CG-CG 4.49Å
10Y96.7Very high85.5Confident8 Ų872.6 Ų72.63%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-133.7109.3173.4179.6-117.8000108.7L12 A23 E25 K40 L88Y10-L12 HydrophobicContact CD1-CD1 3.19Å; Y10-L12 HydrophobicContact CD1-CD2 4.37Å; Y10-L12 HydrophobicContact CD1-CG 3.98Å; Y10-L12 HydrophobicContact CE1-CD1 3.25Å; Y10-L12 HydrophobicContact CE1-CD2 3.52Å; Y10-L12 HydrophobicContact CE1-CG 3.52Å; Y10-L12 HydrophobicContact CG-CD1 4.01Å; Y10-A23 HydrophobicContact CE2-CB 3.97Å; Y10-A23 WeakPolarHBondContact OH-CB 3.45Å; Y10-E25 HydrophobicContact CD2-CB 4.07Å; Y10-K40 HydrophobicContact CD1-CB 3.46Å; Y10-K40 VanDerWaalsContact CD1-CB 3.46Å; Y10-K40 HydrophobicContact CD1-CD 4.31Å; Y10-K40 HydrophobicContact CD1-CG 4.35Å; Y10-K40 HydrophobicContact CD2-CD 4.44Å; Y10-K40 HydrophobicContact CE1-CB 3.6Å; Y10-K40 HydrophobicContact CG-CB 4.08Å; Y10-K40 HydrophobicContact CG-CD 4.05Å; Y10-L88 HydrophobicContact CD1-CD2 4.36Å; Y10-L88 PolarHBondContact N-O 2.85Å; Y10-L88 PolarHBondContact O-N 3.36Å
11F98.2Very high86Confident0 Ų069.6 Ų69.60%035%0.35CS..EExtended strand (participates in β ladder)trans-96.4130.8-177.1172.8-123.8000109.9I13 F22 A23 Q24 F26 F85 L86 M87 F100 F101 M104 V132F11-I13 HydrophobicContact CE1-CD1 3.98Å; F11-I13 HydrophobicContact CE1-CG1 3.9Å; F11-I13 HydrophobicContact CE2-CG1 4.15Å; F11-I13 HydrophobicContact CZ-CD1 3.74Å; F11-I13 HydrophobicContact CZ-CG1 3.47Å; F11-I13 VanDerWaalsContact CZ-CG1 3.47Å; F11-F22 HydrophobicContact CD1-CD1 4.31Å; F11-F22 HydrophobicContact CD1-CE1 4.3Å; F11-F22 HydrophobicContact CE1-CD1 4.24Å; F11-F22 HydrophobicContact CE1-CE1 4.47Å; F11-A23 CarbonylContact O-C 3.5Å; F11-A23 VanDerWaalsContact O-CA 3.24Å; F11-A23 WeakPolarHBondContact O-CA 3.45Å; F11-Q24 PolarHBondContact N-O 3.32Å; F11-Q24 PolarHBondContact O-N 3.32Å; F11-F26 HydrophobicContact CB-CE2 4.12Å; F11-F85 HydrophobicContact CE2-CB 3.94Å; F11-F85 HydrophobicContact CE2-CD2 4.5Å; F11-F85 HydrophobicContact CE2-CG 4.11Å; F11-F85 HydrophobicContact CZ-CG 4.32Å; F11-L86 WeakPolarHBondContact CA-O 3.47Å; F11-L86 WeakPolarHBondContact CD2-O 3.29Å; F11-M87 HydrophobicContact CB-CE 3.81Å; F11-M87 HydrophobicContact CB-SD 4.18Å; F11-M87 HydrophobicContact CD2-CE 4.02Å; F11-M87 HydrophobicContact CG-CE 4.22Å; F11-F100 HydrophobicContact CB-CE1 4.32Å; F11-F100 HydrophobicContact CB-CZ 4.41Å; F11-F100 AromaticContact CD1-CE1 3.89Å; F11-F100 HydrophobicContact CD1-CE1 3.89Å; F11-F100 AromaticContact CD1-CZ 3.81Å; F11-F100 HydrophobicContact CD1-CZ 3.81Å; F11-F100 AromaticContact CD2-CE1 3.65Å; F11-F100 HydrophobicContact CD2-CE1 3.65Å; F11-F100 HydrophobicContact CD2-CZ 4.37Å; F11-F100 HydrophobicContact CE1-CE1 4.06Å; F11-F100 HydrophobicContact CE1-CZ 4.13Å; F11-F100 AromaticContact CE2-CE1 3.85Å; F11-F100 HydrophobicContact CE2-CE1 3.85Å; F11-F100 AromaticContact CG-CE1 3.67Å; F11-F100 HydrophobicContact CG-CE1 3.67Å; F11-F100 AromaticContact CG-CZ 3.93Å; F11-F100 HydrophobicContact CG-CZ 3.93Å; F11-F100 HydrophobicContact CZ-CE1 4.04Å; F11-F101 HydrophobicContact CD2-CE1 4.03Å; F11-F101 HydrophobicContact CE2-CD1 4.2Å; F11-F101 AromaticContact CE2-CE1 3.87Å; F11-F101 HydrophobicContact CE2-CE1 3.87Å; F11-M104 HydrophobicContact CE1-CE 4.28Å; F11-M104 HydrophobicContact CE1-CG 4.39Å; F11-M104 HydrophobicContact CZ-CB 4.38Å; F11-M104 HydrophobicContact CZ-CG 4.3Å; F11-V132 HydrophobicContact CD1-CG1 4.16Å; F11-V132 HydrophobicContact CE1-CG2 4.31Å
12L98.1Very high88.8Confident0 Ų059.4 Ų59.40%030%0.299CS..EExtended strand (participates in β ladder)trans-131.3155.4172.5-48.580.7000111.7Y10 L20 F22 A23 A44 F85 L86 L88Y10-L12 HydrophobicContact CD1-CD1 3.19Å; Y10-L12 HydrophobicContact CD1-CD2 4.37Å; Y10-L12 HydrophobicContact CD1-CG 3.98Å; Y10-L12 HydrophobicContact CE1-CD1 3.25Å; Y10-L12 HydrophobicContact CE1-CD2 3.52Å; Y10-L12 HydrophobicContact CE1-CG 3.52Å; Y10-L12 HydrophobicContact CG-CD1 4.01Å; L12-L20 HydrophobicContact CB-CD1 4.01Å; L12-L20 HydrophobicContact CD2-CD1 3.77Å; L12-L20 HydrophobicContact CG-CD1 4.37Å; L12-F22 CarbonylContact C-O 3.49Å; L12-F22 VanDerWaalsContact CA-O 3.26Å; L12-F22 WeakPolarHBondContact CA-O 3.38Å; L12-A23 HydrophobicContact CD2-CB 4.49Å; L12-A23 HydrophobicContact CG-CB 4.16Å; L12-A44 HydrophobicContact CD1-CB 4.05Å; L12-A44 HydrophobicContact CD2-CB 3.99Å; L12-F85 WeakPolarHBondContact O-CA 3.18Å; L12-L86 HydrophobicContact CD1-CB 4.46Å; L12-L86 PolarHBondContact N-O 3.48Å; L12-L86 PolarHBondContact O-N 2.73Å; L12-L88 HydrophobicContact CD1-CD1 4.27Å
13I98.4Very high91.1Very high0 Ų053.6 Ų53.60%027%0.273CS..EExtended strand (participates in β ladder)trans-121.5122.7168.5-56-179.5000107.6F11 L21 F22 V83 R84 F85 F108 I123 F128F11-I13 HydrophobicContact CE1-CD1 3.98Å; F11-I13 HydrophobicContact CE1-CG1 3.9Å; F11-I13 HydrophobicContact CE2-CG1 4.15Å; F11-I13 HydrophobicContact CZ-CD1 3.74Å; F11-I13 HydrophobicContact CZ-CG1 3.47Å; F11-I13 VanDerWaalsContact CZ-CG1 3.47Å; I13-L21 HydrophobicContact CB-CB 4.31Å; I13-L21 HydrophobicContact CG2-CB 4.1Å; I13-L21 HydrophobicContact CG2-CD1 4.07Å; I13-L21 HydrophobicContact CG2-CG 4.49Å; I13-L21 WeakPolarHBondContact O-CB 3.43Å; I13-L21 PolarHBondContact O-N 3.48Å; I13-F22 HydrophobicContact CB-CB 4.23Å; I13-F22 HydrophobicContact CD1-CB 4.24Å; I13-F22 HydrophobicContact CG1-CB 4.32Å; I13-F22 PolarHBondContact N-O 2.89Å; I13-F22 PolarHBondContact O-N 3.16Å; I13-V83 HydrophobicContact CG2-CG1 3.61Å; I13-R84 WeakPolarHBondContact CA-O 3.34Å; I13-F85 HydrophobicContact CB-CD1 4.23Å; I13-F85 HydrophobicContact CB-CE1 4.45Å; I13-F85 HydrophobicContact CD1-CD1 4.14Å; I13-F85 HydrophobicContact CD1-CE1 3.82Å; I13-F85 HydrophobicContact CD1-CZ 4.47Å; I13-F85 HydrophobicContact CG1-CD1 3.71Å; I13-F85 HydrophobicContact CG1-CE1 3.9Å; I13-F85 HydrophobicContact CG2-CD1 3.87Å; I13-F85 HydrophobicContact CG2-CE1 3.81Å; I13-F108 HydrophobicContact CD1-CD2 4.26Å; I13-F108 HydrophobicContact CG2-CE2 4.2Å; I13-I123 HydrophobicContact CD1-CD1 4.26Å; I13-F128 HydrophobicContact CD1-CE1 4.02Å; I13-F128 HydrophobicContact CD1-CZ 3.57Å
14V98Very high93Very high1 Ų146.8 Ų46.81%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-119.2133.8178.8-172.50000108.4D18 C19 L20 L48 V83 R84 L86V14-D18 VanDerWaalsContact CG1-C 3.43Å; V14-D18 VanDerWaalsContact CG1-CA 3.46Å; V14-C19 WeakPolarHBondContact CA-O 3.26Å; V14-L20 HydrophobicContact CG2-CD1 4.47Å; V14-L48 HydrophobicContact CG1-CD1 4.19Å; V14-V83 WeakPolarHBondContact O-CA 3.34Å; V14-R84 PolarHBondContact N-O 3.48Å; V14-R84 PolarHBondContact O-N 3.38Å; V14-L86 HydrophobicContact CG2-CD1 4.24Å
15D96.1Very high94.2Very high8 Ų844.4 Ų44.44%0.04322%0.223CC..  trans-75.1-179.7175.584.4-6.8000111.9Y17 D18 C19 L21 R84 R120D15-Y17 PolarHBondContact O-N 3.17Å; D15-Y17 VanDerWaalsContact O-N 3.16Å; D15-Y17 WeakPolarHBondContact OD1-CA 3.32Å; D15-Y17 PolarHBondContact OD1-N 3.08Å; D15-D18 PolarHBondContact O-N 3.13Å; D15-D18 PolarHBondContact OD1-N 3.35Å; D15-C19 PolarHBondContact N-O 3.11Å; D15-C19 VanDerWaalsContact OD1-CB 3.32Å; D15-C19 WeakPolarHBondContact OD1-CB 3.43Å; D15-C19 PolarHBondContact OD1-N 3.47Å; D15-L21 HydrophobicContact CB-CD1 3.91Å; D15-L21 HydrophobicContact CB-CD2 4.13Å; D15-L21 HydrophobicContact CB-CG 4.04Å; D15-R84 PolarHBondContact O-NH2 2.87Å; D15-R120 WeakPolarHBondContact OD2-CG 3.29Å
16R94.6Very high95.4Very high148 Ų14841 Ų4156%0.55820%0.2SC*.THydrogen-bonded Turntrans-68.2-7.7-179.174.1-177.9-60.6-125.64.8115.6G82R16-G82 WeakPolarHBondContact CA-O 3.37Å
17Y95.4Very high95.7Very high127 Ų12740 Ų4050%0.49819%0.194SC..THydrogen-bonded Turntrans-115.427-178.9-54.5-72.5000110.5D15 C19D15-Y17 PolarHBondContact O-N 3.17Å; D15-Y17 VanDerWaalsContact O-N 3.16Å; D15-Y17 WeakPolarHBondContact OD1-CA 3.32Å; D15-Y17 PolarHBondContact OD1-N 3.08Å; Y17-C19 PolarHBondContact O-N 3.42Å; Y17-C19 VanDerWaalsContact O-N 3.11Å; Y17-C19 PolarHBondContact O-SG 3.25Å
18D96.4Very high95.4Very high79 Ų7939.5 Ų39.542%0.42220%0.202SC..SBendtrans59.922.1178.7-48.9-32.2000114V14 D15 H45 L48 R84V14-D18 VanDerWaalsContact CG1-C 3.43Å; V14-D18 VanDerWaalsContact CG1-CA 3.46Å; D15-D18 PolarHBondContact O-N 3.13Å; D15-D18 PolarHBondContact OD1-N 3.35Å; D18-H45 PolarHBondContact O-CE1 2.95Å; D18-H45 VanDerWaalsContact O-CE1 3.25Å; D18-L48 HydrophobicContact CB-CD1 4Å; D18-R84 IonicContact OD1-CZ 2.84Å; D18-R84 IonicContact OD1-NH1 2.63Å; D18-R84 PolarHBondContact OD1-NH1 2.95Å; D18-R84 IonicContact OD1-NH2 3.96Å; D18-R84 PolarHBondContact OD1-NH2 3.37Å
19C96.1Very high94.8Very high62 Ų6241.7 Ų41.742%0.41922%0.218SC..  trans-88.4126.8178.2-63.80000110.7V14 D15 Y17 L21V14-C19 WeakPolarHBondContact CA-O 3.26Å; D15-C19 PolarHBondContact N-O 3.11Å; D15-C19 VanDerWaalsContact OD1-CB 3.32Å; D15-C19 WeakPolarHBondContact OD1-CB 3.43Å; D15-C19 PolarHBondContact OD1-N 3.47Å; Y17-C19 PolarHBondContact O-N 3.42Å; Y17-C19 VanDerWaalsContact O-N 3.11Å; Y17-C19 PolarHBondContact O-SG 3.25Å; C19-L21 PolarHBondContact O-N 3.25Å
20L96.7Very high93.5Very high55 Ų5550.4 Ų50.429%0.28826%0.259SS..EExtended strand (participates in β ladder)trans-67.1117.1176.4-176.964.2000110.9L12 V14 F22 A23L12-L20 HydrophobicContact CB-CD1 4.01Å; L12-L20 HydrophobicContact CD2-CD1 3.77Å; L12-L20 HydrophobicContact CG-CD1 4.37Å; V14-L20 HydrophobicContact CG2-CD1 4.47Å; L20-F22 WeakPolarHBondContact CD1-O 3.37Å; L20-A23 HydrophobicContact CD1-CB 4.4Å; L20-A23 HydrophobicContact CD2-CB 4.45Å
21L96.9Very high92.3Very high10 Ų1058.2 Ų58.25%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-94-35.3176.7-59-172.9000112.2I13 D15 C19 F108 P122 I123I13-L21 HydrophobicContact CB-CB 4.31Å; I13-L21 HydrophobicContact CG2-CB 4.1Å; I13-L21 HydrophobicContact CG2-CD1 4.07Å; I13-L21 HydrophobicContact CG2-CG 4.49Å; I13-L21 WeakPolarHBondContact O-CB 3.43Å; I13-L21 PolarHBondContact O-N 3.48Å; D15-L21 HydrophobicContact CB-CD1 3.91Å; D15-L21 HydrophobicContact CB-CD2 4.13Å; D15-L21 HydrophobicContact CB-CG 4.04Å; C19-L21 PolarHBondContact O-N 3.25Å; L21-F108 HydrophobicContact CD1-CE2 4.44Å; L21-P122 CarbonylContact O-C 3.49Å; L21-P122 VanDerWaalsContact O-CA 3.26Å; L21-P122 WeakPolarHBondContact O-CA 3.36Å; L21-I123 HydrophobicContact CB-CD1 4.3Å; L21-I123 HydrophobicContact CB-CG1 4.32Å; L21-I123 PolarHBondContact O-N 3.26Å
22F97.6Very high91Very high24 Ų2466.1 Ų66.111%0.10533%0.329CS..EExtended strand (participates in β ladder)trans-160.9147.7-176.9-175.3-90.7000110.5F11 L12 I13 L20 Q24 I123 F128 A129 V132F11-F22 HydrophobicContact CD1-CD1 4.31Å; F11-F22 HydrophobicContact CD1-CE1 4.3Å; F11-F22 HydrophobicContact CE1-CD1 4.24Å; F11-F22 HydrophobicContact CE1-CE1 4.47Å; L12-F22 CarbonylContact C-O 3.49Å; L12-F22 VanDerWaalsContact CA-O 3.26Å; L12-F22 WeakPolarHBondContact CA-O 3.38Å; I13-F22 HydrophobicContact CB-CB 4.23Å; I13-F22 HydrophobicContact CD1-CB 4.24Å; I13-F22 HydrophobicContact CG1-CB 4.32Å; I13-F22 PolarHBondContact N-O 2.89Å; I13-F22 PolarHBondContact O-N 3.16Å; L20-F22 WeakPolarHBondContact CD1-O 3.37Å; F22-Q24 HydrophobicContact CE1-CB 3.63Å; F22-Q24 HydrophobicContact CZ-CB 4.07Å; F22-I123 HydrophobicContact CB-CB 4.34Å; F22-I123 HydrophobicContact CB-CD1 4.2Å; F22-I123 HydrophobicContact CD2-CB 4.23Å; F22-F128 HydrophobicContact CD1-CE1 4.15Å; F22-F128 HydrophobicContact CD2-CD1 4.15Å; F22-F128 HydrophobicContact CD2-CE1 4.11Å; F22-F128 HydrophobicContact CE1-CE1 4.41Å; F22-F128 HydrophobicContact CE2-CD1 4.14Å; F22-F128 HydrophobicContact CE2-CE1 4.36Å; F22-F128 HydrophobicContact CG-CE1 4.01Å; F22-F128 HydrophobicContact CZ-CD1 4.5Å; F22-A129 HydrophobicContact CE2-CB 4.44Å; F22-V132 HydrophobicContact CE1-CB 4.29Å; F22-V132 HydrophobicContact CE1-CG1 3.91Å; F22-V132 HydrophobicContact CE1-CG2 3.79Å; F22-V132 HydrophobicContact CZ-CB 4.3Å; F22-V132 HydrophobicContact CZ-CG1 4.25Å; F22-V132 HydrophobicContact CZ-CG2 3.96Å
23A97Very high90.3Very high36 Ų3669.6 Ų69.630%0.29835%0.348SS..EExtended strand (participates in β ladder)trans-143.1144.2170.500000110.9Y10 F11 L12 L20Y10-A23 HydrophobicContact CE2-CB 3.97Å; Y10-A23 WeakPolarHBondContact OH-CB 3.45Å; F11-A23 CarbonylContact O-C 3.5Å; F11-A23 VanDerWaalsContact O-CA 3.24Å; F11-A23 WeakPolarHBondContact O-CA 3.45Å; L12-A23 HydrophobicContact CD2-CB 4.49Å; L12-A23 HydrophobicContact CG-CB 4.16Å; L20-A23 HydrophobicContact CD1-CB 4.4Å; L20-A23 HydrophobicContact CD2-CB 4.45Å
24Q95.8Very high89.6Confident47 Ų4773.5 Ų73.522%0.2237%0.373CS..EExtended strand (participates in β ladder)trans-148.9130.2173.6178.367.171.100110.6F11 F22 F26 V132F11-Q24 PolarHBondContact N-O 3.32Å; F11-Q24 PolarHBondContact O-N 3.32Å; F22-Q24 HydrophobicContact CE1-CB 3.63Å; F22-Q24 HydrophobicContact CZ-CB 4.07Å; Q24-F26 HydrophobicContact CB-CE2 4.39Å; Q24-F26 HydrophobicContact CB-CZ 4.44Å; Q24-F26 HydrophobicContact CG-CE1 4.05Å; Q24-F26 HydrophobicContact CG-CE2 3.94Å; Q24-F26 HydrophobicContact CG-CZ 3.69Å; Q24-V132 HydrophobicContact CB-CG1 3.83Å; Q24-V132 HydrophobicContact CG-CG1 3.83Å
25E94.3Very high89.1Confident51 Ų5179 Ų7924%0.23840%0.403CS..EExtended strand (participates in β ladder)trans-92.1143.7172.3-172.6173.9-168.200111.5Y10 K40Y10-E25 HydrophobicContact CD2-CB 4.07Å; E25-K40 IonicContact OE1-NZ 2.95Å; E25-K40 PolarHBondContact OE1-NZ 3.17Å
26F94.3Very high88.7Confident23 Ų2380.4 Ų80.410%0.10142%0.416CS..EExtended strand (participates in β ladder)trans-126.3104.3168.5-51.5-88.7000107.8E8 Y9 F11 Q24 F100 V132 L140E8-F26 WeakPolarHBondContact CA-O 3.38Å; Y9-F26 PolarHBondContact N-O 2.84Å; Y9-F26 PolarHBondContact O-N 2.78Å; F11-F26 HydrophobicContact CB-CE2 4.12Å; Q24-F26 HydrophobicContact CB-CE2 4.39Å; Q24-F26 HydrophobicContact CB-CZ 4.44Å; Q24-F26 HydrophobicContact CG-CE1 4.05Å; Q24-F26 HydrophobicContact CG-CE2 3.94Å; Q24-F26 HydrophobicContact CG-CZ 3.69Å; F26-F100 HydrophobicContact CE2-CE2 4.49Å; F26-F100 HydrophobicContact CE2-CZ 4.36Å; F26-F100 HydrophobicContact CZ-CE2 4.24Å; F26-F100 HydrophobicContact CZ-CZ 4.38Å; F26-V132 HydrophobicContact CE2-CG1 4.43Å; F26-V132 HydrophobicContact CZ-CG1 3.69Å; F26-L140 HydrophobicContact CD2-CD1 3.83Å; F26-L140 HydrophobicContact CE2-CD1 3.84Å; F26-L140 HydrophobicContact CG-CD1 4.42Å; F26-L140 HydrophobicContact CZ-CD1 4.46Å
27S90Very high88.4Confident34 Ų3475.7 Ų75.724%0.23841%0.405CS..EExtended strand (participates in β ladder)trans-139.7149.1176.3178.40000108.7V29S27-V29 PolarHBondContact OG-N 2.65Å; S27-V29 VanDerWaalsContact OG-N 3.08Å
28S83.6Confident88.3Confident81 Ų8175.1 Ų75.157%0.56641%0.406SS*.SBendtrans-73.1-21.116957.80000112Q30S28-Q30 PolarHBondContact O-N 3.16Å
29V80Confident88.2Confident78 Ų7874.5 Ų74.547%0.47340%0.403SS..  trans-84.8113.5178-176.60000108.8S27 K31S27-V29 PolarHBondContact OG-N 2.65Å; S27-V29 VanDerWaalsContact OG-N 3.08Å; V29-K31 HydrophobicContact CG1-CB 4.13Å; V29-K31 PolarHBondContact O-N 3.24Å
30Q68.6Low88.2Confident187 Ų18771.9 Ų71.987%0.87438%0.384SS*.  trans-76.9-6.4-178.5-66.1-175.1-2.200114.1S28 Q32S28-Q30 PolarHBondContact O-N 3.16Å; Q30-Q32 PolarHBondContact O-N 2.8Å
31K73.3Confident88.2Confident172 Ų17272.2 Ų72.275%0.74838%0.384SS*.  trans-76.5101.2-178.3-168.4-178.4179.1-170.30109.4V29 D33V29-K31 HydrophobicContact CG1-CB 4.13Å; V29-K31 PolarHBondContact O-N 3.24Å; K31-D33 PolarHBondContact O-N 2.95Å
32Q71.1Confident88.2Confident165 Ų16577.3 Ų77.377%0.77141%0.411SS*.  trans-74.9107.4170.3-69.5-176.6-20.300109.2Q30Q30-Q32 PolarHBondContact O-N 2.8Å
33D82.7Confident88.2Confident74 Ų7476.6 Ų76.640%0.39641%0.408SS..  trans-95.7118.8168.6-174.2-14.2000108.5K31 D35 A36 C37K31-D33 PolarHBondContact O-N 2.95Å; D33-D35 PolarHBondContact O-N 3.47Å; D33-D35 PolarHBondContact OD1-N 3.18Å; D33-A36 HydrophobicContact CB-CB 3.9Å; D33-A36 PolarHBondContact O-N 3.36Å; D33-C37 PolarHBondContact O-N 3.44Å; D33-C37 VanDerWaalsContact O-N 3.13Å
34P83.1Confident88.3Confident81 Ų8174.9 Ų74.953%0.52639%0.394SS..Hα-helixtrans-58.5-33.8178.824.7-34.6000112.7C37 H38P34-C37 WeakPolarHBondContact O-CB 3.34Å; P34-C37 PolarHBondContact O-N 2.86Å; P34-H38 PolarHBondContact O-N 2.92Å; P34-H38 PolarHBondContact O-ND1 2.97Å
35D87.8Confident88.4Confident117 Ų11775.4 Ų75.463%0.62640%0.396SS*.Hα-helixtrans-71.3-38.5-178.8-68.7-20.4000111.1D33 C37 H38 L39D33-D35 PolarHBondContact O-N 3.47Å; D33-D35 PolarHBondContact OD1-N 3.18Å; D35-C37 VanDerWaalsContact C-N 3.29Å; D35-C37 PolarHBondContact O-N 2.82Å; D35-H38 PolarHBondContact O-N 3.1Å; D35-L39 PolarHBondContact O-N 3.45Å
36A87.5Confident88.6Confident38 Ų3875.9 Ų75.931%0.31441%0.409SS..Hα-helixtrans-63-37.5173.100000111.6D33 L39 K40D33-A36 HydrophobicContact CB-CB 3.9Å; D33-A36 PolarHBondContact O-N 3.36Å; A36-L39 PolarHBondContact O-N 3.34Å; A36-K40 VanDerWaalsContact O-CG 3.29Å; A36-K40 WeakPolarHBondContact O-CG 3.43Å; A36-K40 PolarHBondContact O-N 3.29Å; A36-K40 VanDerWaalsContact O-N 3.12Å
37C88.4Confident88.7Confident48 Ų4874.8 Ų74.832%0.32440%0.404SS..Hα-helixtrans-64.4-47.2175.1-1730000111.7D33 P34 D35 L39 K40 Q41D33-C37 PolarHBondContact O-N 3.44Å; D33-C37 VanDerWaalsContact O-N 3.13Å; P34-C37 WeakPolarHBondContact O-CB 3.34Å; P34-C37 PolarHBondContact O-N 2.86Å; D35-C37 VanDerWaalsContact C-N 3.29Å; D35-C37 PolarHBondContact O-N 2.82Å; C37-L39 VanDerWaalsContact C-N 3.32Å; C37-L39 PolarHBondContact O-N 2.95Å; C37-K40 PolarHBondContact O-N 3.08Å; C37-Q41 PolarHBondContact O-N 3.07Å
38H92.7Very high89.1Confident115 Ų11573.5 Ų73.553%0.53239%0.394SS..Hα-helixtrans-62.1-38.1177-65.4141.4000112.5P34 D35 Q41 L42P34-H38 PolarHBondContact O-N 2.92Å; P34-H38 PolarHBondContact O-ND1 2.97Å; D35-H38 PolarHBondContact O-N 3.1Å; H38-Q41 PolarHBondContact O-N 3.35Å; H38-L42 WeakPolarHBondContact O-CB 3.39Å; H38-L42 PolarHBondContact O-N 3.49Å
39L95.7Very high89.8Confident67 Ų6774.6 Ų74.635%0.35139%0.394SS..Hα-helixtrans-61.3-47.5175179.562.3000111.6D35 A36 C37 Q41 L42 I43 F69D35-L39 PolarHBondContact O-N 3.45Å; A36-L39 PolarHBondContact O-N 3.34Å; C37-L39 VanDerWaalsContact C-N 3.32Å; C37-L39 PolarHBondContact O-N 2.95Å; L39-Q41 VanDerWaalsContact C-N 3.27Å; L39-Q41 PolarHBondContact O-N 3.32Å; L39-L42 WeakPolarHBondContact O-CB 3.42Å; L39-L42 PolarHBondContact O-N 2.87Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L39-I43 HydrophobicContact CD1-CD1 4.21Å; L39-I43 HydrophobicContact CD1-CG1 4.38Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 VanDerWaalsContact O-CG1 3.32Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 2.65Å; L39-F69 HydrophobicContact CD1-CE1 4.14Å
40K95.7Very high90.6Very high7 Ų773 Ų733%0.0338%0.384CS..Hα-helixtrans-61.1-38.7177.8-67.1171.9-167.9-163.70111.3E8 Y10 E25 A36 C37 A44 W72 L88E8-K40 IonicContact OE2-NZ 3.75Å; E8-K40 PolarHBondContact OE2-NZ 2.95Å; Y10-K40 HydrophobicContact CD1-CB 3.46Å; Y10-K40 VanDerWaalsContact CD1-CB 3.46Å; Y10-K40 HydrophobicContact CD1-CD 4.31Å; Y10-K40 HydrophobicContact CD1-CG 4.35Å; Y10-K40 HydrophobicContact CD2-CD 4.44Å; Y10-K40 HydrophobicContact CE1-CB 3.6Å; Y10-K40 HydrophobicContact CG-CB 4.08Å; Y10-K40 HydrophobicContact CG-CD 4.05Å; E25-K40 IonicContact OE1-NZ 2.95Å; E25-K40 PolarHBondContact OE1-NZ 3.17Å; A36-K40 VanDerWaalsContact O-CG 3.29Å; A36-K40 WeakPolarHBondContact O-CG 3.43Å; A36-K40 PolarHBondContact O-N 3.29Å; A36-K40 VanDerWaalsContact O-N 3.12Å; C37-K40 PolarHBondContact O-N 3.08Å; K40-A44 WeakPolarHBondContact O-CB 3.49Å; K40-A44 PolarHBondContact O-N 3.31Å; K40-W72 HydrophobicContact CD-CH2 4.1Å; K40-W72 HydrophobicContact CD-CZ2 4.21Å; K40-W72 VanDerWaalsContact CE-CH2 3.45Å; K40-W72 HydrophobicContact CG-CH2 4.5Å; K40-W72 HydrophobicContact CG-CZ2 4.3Å; K40-L88 HydrophobicContact CB-CD2 4.1Å; K40-L88 VanDerWaalsContact O-CD2 3.27Å; K40-L88 WeakPolarHBondContact O-CD2 3.48Å
41Q95.6Very high92Very high62 Ų6264.1 Ų64.129%0.2934%0.343SS..Hα-helixtrans-65-43.8173.9-175.5173.1-0.800112C37 H38 L39 I43 A44 H45C37-Q41 PolarHBondContact O-N 3.07Å; H38-Q41 PolarHBondContact O-N 3.35Å; L39-Q41 VanDerWaalsContact C-N 3.27Å; L39-Q41 PolarHBondContact O-N 3.32Å; Q41-I43 PolarHBondContact O-N 2.94Å; Q41-A44 PolarHBondContact O-N 3.32Å; Q41-H45 PolarHBondContact O-CD2 3.32Å; Q41-H45 VanDerWaalsContact O-CD2 3.28Å; Q41-H45 PolarHBondContact O-N 3.43Å
42L97.6Very high93.1Very high117 Ų11759.1 Ų59.161%0.61333%0.325SS*.Hα-helixtrans-58.9-48.3177.2179.966.9000111.5H38 L39 A44 H45 A46H38-L42 WeakPolarHBondContact O-CB 3.39Å; H38-L42 PolarHBondContact O-N 3.49Å; L39-L42 WeakPolarHBondContact O-CB 3.42Å; L39-L42 PolarHBondContact O-N 2.87Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L42-A44 PolarHBondContact O-N 3.5Å; L42-H45 PolarHBondContact O-N 3.15Å; L42-A46 VanDerWaalsContact O-CB 3.26Å; L42-A46 WeakPolarHBondContact O-CB 3.27Å; L42-A46 PolarHBondContact O-N 3.48Å
43I98.2Very high94.3Very high9 Ų957.1 Ų57.15%0.04632%0.315CS..Hα-helixtrans-59.4-46.9177.8-63.8162.1000110.4L39 Q41 H45 A46 S47 F69 W72 V74 L88L39-I43 HydrophobicContact CD1-CD1 4.21Å; L39-I43 HydrophobicContact CD1-CG1 4.38Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 VanDerWaalsContact O-CG1 3.32Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 2.65Å; Q41-I43 PolarHBondContact O-N 2.94Å; I43-H45 PolarHBondContact O-N 3Å; I43-A46 PolarHBondContact O-N 3.02Å; I43-S47 PolarHBondContact O-N 3.29Å; I43-F69 HydrophobicContact CD1-CB 4.27Å; I43-F69 HydrophobicContact CD1-CD1 3.4Å; I43-F69 HydrophobicContact CD1-CE1 4.06Å; I43-F69 HydrophobicContact CD1-CG 4.14Å; I43-F69 HydrophobicContact CG1-CB 4.12Å; I43-F69 HydrophobicContact CG1-CD1 3.63Å; I43-F69 HydrophobicContact CG1-CE1 4.25Å; I43-F69 HydrophobicContact CG1-CG 3.97Å; I43-F69 HydrophobicContact CG2-CB 4.01Å; I43-W72 HydrophobicContact CD1-CB 4.25Å; I43-W72 HydrophobicContact CD1-CG 4.13Å; I43-V74 HydrophobicContact CG2-CG2 4.05Å; I43-L88 HydrophobicContact CB-CD2 3.89Å; I43-L88 HydrophobicContact CG2-CD2 3.82Å; I43-L88 HydrophobicContact CG2-CG 4.38Å
44A98.1Very high94.9Very high0 Ų056.3 Ų56.30%031%0.31CS..Hα-helixtrans-59.2-47179.600000112.1L12 K40 Q41 L42 S47 L86 L88L12-A44 HydrophobicContact CD1-CB 4.05Å; L12-A44 HydrophobicContact CD2-CB 3.99Å; K40-A44 WeakPolarHBondContact O-CB 3.49Å; K40-A44 PolarHBondContact O-N 3.31Å; Q41-A44 PolarHBondContact O-N 3.32Å; L42-A44 PolarHBondContact O-N 3.5Å; A44-S47 PolarHBondContact O-N 3Å; A44-S47 PolarHBondContact O-OG 3.27Å; A44-L86 HydrophobicContact CB-CD1 3.93Å; A44-L86 WeakPolarHBondContact O-CD1 3.42Å; A44-L88 HydrophobicContact CB-CD1 3.71Å
45H98Very high95.4Very high57 Ų5754.5 Ų54.526%0.26430%0.299SS..Hα-helixtrans-70.1-35.3178.9-81.2-82.2000113D18 Q41 L42 I43 S47 L48D18-H45 PolarHBondContact O-CE1 2.95Å; D18-H45 VanDerWaalsContact O-CE1 3.25Å; Q41-H45 PolarHBondContact O-CD2 3.32Å; Q41-H45 VanDerWaalsContact O-CD2 3.28Å; Q41-H45 PolarHBondContact O-N 3.43Å; L42-H45 PolarHBondContact O-N 3.15Å; I43-H45 PolarHBondContact O-N 3Å; H45-S47 PolarHBondContact O-N 3.28Å; H45-L48 HydrophobicContact CB-CD1 4.42Å; H45-L48 WeakPolarHBondContact O-CB 3.26Å; H45-L48 PolarHBondContact O-N 2.84Å
46A98Very high95.7Very high61 Ų6153.9 Ų53.950%0.50430%0.304SS..Hα-helixtrans-64.8-22.9176.600000112.9L42 I43L42-A46 VanDerWaalsContact O-CB 3.26Å; L42-A46 WeakPolarHBondContact O-CB 3.27Å; L42-A46 PolarHBondContact O-N 3.48Å; I43-A46 PolarHBondContact O-N 3.02Å
47S98.2Very high95.9Very high0 Ų058 Ų580%032%0.317CS..THydrogen-bonded Turntrans-87.4-6.4178.571.10000114.9I43 A44 H45 D49 V50 V51I43-S47 PolarHBondContact O-N 3.29Å; A44-S47 PolarHBondContact O-N 3Å; A44-S47 PolarHBondContact O-OG 3.27Å; H45-S47 PolarHBondContact O-N 3.28Å; S47-D49 VanDerWaalsContact C-N 3.31Å; S47-D49 PolarHBondContact O-N 3.02Å; S47-V50 PolarHBondContact O-N 2.89Å; S47-V51 VanDerWaalsContact O-CG2 3.31Å; S47-V51 WeakPolarHBondContact O-CG2 3.46Å; S47-V51 PolarHBondContact O-N 3.28Å
48L98.2Very high96Very high7 Ų760.2 Ų60.24%0.03732%0.322CS..Hα-helixtrans-65.7-31.9-172.7-74173.4000113.2V14 D18 H45 V51 D52 L86V14-L48 HydrophobicContact CG1-CD1 4.19Å; D18-L48 HydrophobicContact CB-CD1 4Å; H45-L48 HydrophobicContact CB-CD1 4.42Å; H45-L48 WeakPolarHBondContact O-CB 3.26Å; H45-L48 PolarHBondContact O-N 2.84Å; L48-V51 WeakPolarHBondContact O-CB 3.36Å; L48-V51 PolarHBondContact O-N 3.13Å; L48-D52 WeakPolarHBondContact O-CB 3.44Å; L48-D52 PolarHBondContact O-N 3.26Å; L48-L86 HydrophobicContact CD2-CD1 3.84Å
49D96.6Very high95.8Very high105 Ų10561.1 Ų61.156%0.56134%0.341SS*.Hα-helixtrans-61.5-46.2174.761.3-24.9000111.7S47 D52 E53S47-D49 VanDerWaalsContact C-N 3.31Å; S47-D49 PolarHBondContact O-N 3.02Å; D49-D52 PolarHBondContact O-N 2.87Å; D49-E53 PolarHBondContact O-N 2.88Å
50V97.3Very high95.7Very high44 Ų4462.1 Ų62.127%0.26735%0.347SS..Hα-helixtrans-66.6-39176.5-179.90000111S47 D52 M54 I66S47-V50 PolarHBondContact O-N 2.89Å; V50-D52 VanDerWaalsContact C-N 3.31Å; V50-D52 PolarHBondContact O-N 2.9Å; V50-M54 HydrophobicContact CG1-CG 4.26Å; V50-M54 WeakPolarHBondContact O-CB 3.36Å; V50-M54 WeakPolarHBondContact O-CG 3.34Å; V50-M54 PolarHBondContact O-N 3.31Å; V50-I66 HydrophobicContact CG1-CB 4.39Å
51V97.8Very high95.8Very high0 Ų064.9 Ų64.90%036%0.361CS..Hα-helixtrans-56.2-49.3173.3176.80000110.2S47 L48 M54 S55 L63 I66 A76 V78 R84 L86S47-V51 VanDerWaalsContact O-CG2 3.31Å; S47-V51 WeakPolarHBondContact O-CG2 3.46Å; S47-V51 PolarHBondContact O-N 3.28Å; L48-V51 WeakPolarHBondContact O-CB 3.36Å; L48-V51 PolarHBondContact O-N 3.13Å; V51-M54 PolarHBondContact O-N 2.82Å; V51-S55 VanDerWaalsContact O-CB 3.3Å; V51-S55 WeakPolarHBondContact O-CB 3.44Å; V51-S55 PolarHBondContact O-N 2.85Å; V51-S55 PolarHBondContact O-OG 3.4Å; V51-L63 HydrophobicContact CG1-CD1 4.33Å; V51-I66 HydrophobicContact CB-CD1 4.17Å; V51-I66 HydrophobicContact CG2-CD1 3.14Å; V51-A76 HydrophobicContact CG1-CB 4.18Å; V51-A76 HydrophobicContact CG2-CB 3.97Å; V51-V78 HydrophobicContact CG1-CG2 3.57Å; V51-R84 HydrophobicContact CG1-CG 4Å; V51-L86 HydrophobicContact CG2-CD2 3.84Å
52D96.2Very high95.9Very high68 Ų6862.4 Ų62.436%0.36435%0.349SS..Hα-helixtrans-68.4-44.1-174.6-70.3-12.4000110.9L48 D49 V50 M54 S55 S56 R84L48-D52 WeakPolarHBondContact O-CB 3.44Å; L48-D52 PolarHBondContact O-N 3.26Å; D49-D52 PolarHBondContact O-N 2.87Å; V50-D52 VanDerWaalsContact C-N 3.31Å; V50-D52 PolarHBondContact O-N 2.9Å; D52-M54 PolarHBondContact O-N 3.03Å; D52-S55 PolarHBondContact O-N 3.26Å; D52-S55 PolarHBondContact O-OG 3.06Å; D52-S56 PolarHBondContact O-N 2.88Å; D52-R84 VanDerWaalsContact CG-NH1 3.27Å; D52-R84 WeakPolarHBondContact OD1-CD 3.08Å; D52-R84 IonicContact OD1-CZ 3.42Å; D52-R84 IonicContact OD1-NE 3.29Å; D52-R84 IonicContact OD1-NH1 2.65Å; D52-R84 PolarHBondContact OD1-NH1 3.47Å; D52-R84 IonicContact OD2-NH1 2.87Å; D52-R84 PolarHBondContact OD2-NH1 2.83Å
53E96.3Very high95.8Very high122 Ų12257 Ų5757%0.5732%0.321SS*.Hα-helixtrans-57.9-49.2175.2-175.7177.8176.600111.6D49 S55 S56 Q57D49-E53 PolarHBondContact O-N 2.88Å; E53-S55 PolarHBondContact O-N 3.23Å; E53-S56 PolarHBondContact O-N 3.31Å; E53-Q57 WeakPolarHBondContact O-CG 3.47Å; E53-Q57 PolarHBondContact O-N 3.31Å; E53-Q57 PolarHBondContact OE1-NE2 2.79Å
54M95.7Very high95.7Very high58 Ų5860.7 Ų60.729%0.28634%0.337SS..Hα-helixtrans-65.2-39.3-179.9-71.2-71.7-75.400112.2V50 V51 D52 S56 Q57 Q58 L63V50-M54 HydrophobicContact CG1-CG 4.26Å; V50-M54 WeakPolarHBondContact O-CB 3.36Å; V50-M54 WeakPolarHBondContact O-CG 3.34Å; V50-M54 PolarHBondContact O-N 3.31Å; V51-M54 PolarHBondContact O-N 2.82Å; D52-M54 PolarHBondContact O-N 3.03Å; M54-S56 VanDerWaalsContact C-N 3.27Å; M54-S56 PolarHBondContact O-N 3.33Å; M54-Q57 PolarHBondContact O-N 2.94Å; M54-Q58 PolarHBondContact O-N 3.48Å; M54-L63 HydrophobicContact CB-CD1 3.96Å; M54-L63 HydrophobicContact CB-CD2 4.49Å
55S94.6Very high95.6Very high43 Ų4364.6 Ų64.630%0.30136%0.355SS..Hα-helixtrans-67.6-27177.677.30000113.2V51 D52 E53 Q57V51-S55 VanDerWaalsContact O-CB 3.3Å; V51-S55 WeakPolarHBondContact O-CB 3.44Å; V51-S55 PolarHBondContact O-N 2.85Å; V51-S55 PolarHBondContact O-OG 3.4Å; D52-S55 PolarHBondContact O-N 3.26Å; D52-S55 PolarHBondContact O-OG 3.06Å; E53-S55 PolarHBondContact O-N 3.23Å; S55-Q57 VanDerWaalsContact C-N 3.33Å
56S92.3Very high95.5Very high104 Ų10463.1 Ų63.173%0.72735%0.349SS*.Hα-helixtrans-74.1-26.1173.8-174.30000112.4D52 E53 M54D52-S56 PolarHBondContact O-N 2.88Å; E53-S56 PolarHBondContact O-N 3.31Å; M54-S56 VanDerWaalsContact C-N 3.27Å; M54-S56 PolarHBondContact O-N 3.33Å
57Q92.7Very high95.5Very high125 Ų12562.8 Ų62.858%0.58434%0.339SS*.Hα-helixtrans-91.6-27.4-177.8-65.717611.700112.8E53 M54 S55E53-Q57 WeakPolarHBondContact O-CG 3.47Å; E53-Q57 PolarHBondContact O-N 3.31Å; E53-Q57 PolarHBondContact OE1-NE2 2.79Å; M54-Q57 PolarHBondContact O-N 2.94Å; S55-Q57 VanDerWaalsContact C-N 3.33Å
58Q90.9Very high95.5Very high94 Ų9469.6 Ų69.644%0.43937%0.368SS..  trans-126.4140.1-173.5-56.7-176.516.700111.4M54 N60M54-Q58 PolarHBondContact O-N 3.48Å; Q58-N60 VanDerWaalsContact C-N 3.32Å; Q58-N60 PolarHBondContact O-N 2.92Å
59S88.9Confident95.4Very high134 Ų13473.7 Ų73.794%0.93739%0.386SS*.  trans-83.1-6.5179.958.80000114.4
60N93.3Very high95.3Very high88 Ų8873.8 Ų73.847%0.47139%0.387SS..  trans-79129.1-178-176.912.3000110.6Q58 L62Q58-N60 VanDerWaalsContact C-N 3.32Å; Q58-N60 PolarHBondContact O-N 2.92Å; N60-L62 VanDerWaalsContact C-N 3.3Å; N60-L62 PolarHBondContact ND2-O 3.02Å; N60-L62 VanDerWaalsContact ND2-O 3.09Å; N60-L62 PolarHBondContact O-N 3.23Å; N60-L62 PolarHBondContact OD1-N 2.92Å; N60-L62 VanDerWaalsContact OD1-N 3.12Å
61M96.5Very high95.2Very high65 Ų6576.3 Ų76.332%0.3240%0.395SS..SBendtrans-63.3-35.7176-64.9-172-74.600112.2F77 V78M61-F77 HydrophobicContact CB-CD1 4.33Å; M61-F77 HydrophobicContact CB-CD2 4.22Å; M61-F77 HydrophobicContact CB-CE1 3.94Å; M61-F77 HydrophobicContact CB-CE2 3.84Å; M61-F77 HydrophobicContact CB-CG 4.45Å; M61-F77 HydrophobicContact CB-CZ 3.69Å; M61-F77 HydrophobicContact CE-CE1 4.29Å; M61-F77 HydrophobicContact CE-CZ 3.69Å; M61-F77 HydrophobicContact CG-CZ 4.41Å; M61-F77 CarbonylContact O-C 3.55Å; M61-F77 VanDerWaalsContact O-CA 3.23Å; M61-F77 WeakPolarHBondContact O-CA 3.4Å; M61-F77 HydrophobicContact SD-CE1 3.91Å; M61-F77 HydrophobicContact SD-CZ 3.89Å; M61-V78 VanDerWaalsContact CB-O 3.24Å; M61-V78 WeakPolarHBondContact CB-O 3.38Å; M61-V78 WeakPolarHBondContact CG-O 3.42Å; M61-V78 PolarHBondContact O-N 3.33Å
62L97.5Very high95.1Very high9 Ų976.8 Ų76.85%0.04740%0.397CS..EExtended strand (participates in β ladder)trans-87.3120.1-178.1179.972.8000111.7N60 K64 F77 R98 F101N60-L62 VanDerWaalsContact C-N 3.3Å; N60-L62 PolarHBondContact ND2-O 3.02Å; N60-L62 VanDerWaalsContact ND2-O 3.09Å; N60-L62 PolarHBondContact O-N 3.23Å; N60-L62 PolarHBondContact OD1-N 2.92Å; N60-L62 VanDerWaalsContact OD1-N 3.12Å; L62-K64 HydrophobicContact CD2-CG 4.14Å; L62-K64 HydrophobicContact CG-CG 4.17Å; L62-F77 HydrophobicContact CB-CD2 3.94Å; L62-F77 HydrophobicContact CB-CE2 4.34Å; L62-F77 HydrophobicContact CD1-CD2 4.07Å; L62-R98 HydrophobicContact CD2-CB 4.07Å; L62-R98 HydrophobicContact CD2-CG 3.95Å; L62-R98 VanDerWaalsContact CD2-NH1 3.33Å; L62-F101 HydrophobicContact CD1-CD2 3.73Å; L62-F101 HydrophobicContact CD1-CE2 4.16Å
63L97.1Very high95.2Very high5 Ų574.5 Ų74.53%0.02639%0.386CS..EExtended strand (participates in β ladder)trans-115.1117.7174-49.9176.1000109.2V51 M54 I66 A76 V78V51-L63 HydrophobicContact CG1-CD1 4.33Å; M54-L63 HydrophobicContact CB-CD1 3.96Å; M54-L63 HydrophobicContact CB-CD2 4.49Å; L63-I66 HydrophobicContact CB-CG2 3.46Å; L63-I66 VanDerWaalsContact CB-CG2 3.46Å; L63-I66 HydrophobicContact CD1-CG2 4.48Å; L63-A76 HydrophobicContact CB-CB 4.34Å; L63-A76 PolarHBondContact N-O 3.47Å; L63-A76 PolarHBondContact O-N 3.47Å; L63-A76 VanDerWaalsContact O-O 3.09Å; L63-V78 HydrophobicContact CD1-CG2 3.84Å; L63-V78 HydrophobicContact CG-CG2 4.46Å
64K96.4Very high95.3Very high86 Ų8668.7 Ų68.737%0.37436%0.359SS..EExtended strand (participates in β ladder)trans-98.9133.7-174.3-59.1-179.7-179.6-174.80110.6L62 I66 D94L62-K64 HydrophobicContact CD2-CG 4.14Å; L62-K64 HydrophobicContact CG-CG 4.17Å; K64-I66 VanDerWaalsContact C-N 3.3Å; K64-I66 PolarHBondContact O-N 3.44Å; K64-D94 HydrophobicContact CD-CB 4.34Å
65Q95.4Very high95.4Very high82 Ų8266.1 Ų66.138%0.38335%0.346SS..EExtended strand (participates in β ladder)trans4951.8170.4-51.8-177.532.800112.2D67 T73 V74 S75 D94Q65-D67 VanDerWaalsContact C-N 3.32Å; Q65-T73 HydrophobicContact CB-CG2 3.73Å; Q65-T73 HydrophobicContact CG-CG2 3.66Å; Q65-V74 CarbonylContact C-O 3.48Å; Q65-V74 WeakPolarHBondContact CA-O 3.45Å; Q65-V74 PolarHBondContact N-O 3.27Å; Q65-S75 PolarHBondContact N-OG 3.42Å; Q65-S75 VanDerWaalsContact N-OG 3.07Å; Q65-D94 PolarHBondContact NE2-OD1 2.86Å
66I96.6Very high95.6Very high26 Ų2664 Ų6413%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-74.7-25.2-175.155.4163.4000112.8V50 V51 L63 K64 V74 A76V50-I66 HydrophobicContact CG1-CB 4.39Å; V51-I66 HydrophobicContact CB-CD1 4.17Å; V51-I66 HydrophobicContact CG2-CD1 3.14Å; L63-I66 HydrophobicContact CB-CG2 3.46Å; L63-I66 VanDerWaalsContact CB-CG2 3.46Å; L63-I66 HydrophobicContact CD1-CG2 4.48Å; K64-I66 VanDerWaalsContact C-N 3.3Å; K64-I66 PolarHBondContact O-N 3.44Å; I66-V74 HydrophobicContact CD1-CG1 4.13Å; I66-V74 HydrophobicContact CG1-CB 4.19Å; I66-V74 HydrophobicContact CG1-CG1 4.06Å; I66-V74 WeakPolarHBondContact CG1-O 3.41Å; I66-V74 PolarHBondContact N-O 3.38Å; I66-A76 HydrophobicContact CD1-CB 3.94Å
67D97.3Very high95.9Very high54 Ų5459.8 Ų59.829%0.28930%0.3SS..EExtended strand (participates in β ladder)trans-151.6160-177.2-169.218.2000110.2Q65 V74Q65-D67 VanDerWaalsContact C-N 3.32Å; D67-V74 HydrophobicContact CB-CB 4.16Å; D67-V74 HydrophobicContact CB-CG2 4.25Å; D67-V74 PolarHBondContact O-N 2.86Å
68K97.5Very high96.2Very high143 Ų14354.8 Ų54.862%0.62228%0.278SS*.EExtended strand (participates in β ladder)trans-147.8128.5179.5-175.6178.5178.2179.60111.4N70 W72K68-N70 WeakPolarHBondContact CE-O 3.37Å; K68-W72 CarbonylContact C-O 3.56Å; K68-W72 VanDerWaalsContact CA-O 3.3Å; K68-W72 WeakPolarHBondContact CA-O 3.46Å
69F97.1Very high96.4Very high93 Ų9350.6 Ų50.641%0.40826%0.259SS..EExtended strand (participates in β ladder)trans-128.7116171.5-178.5-93.5000110L39 I43 E71 W72L39-F69 HydrophobicContact CD1-CE1 4.14Å; I43-F69 HydrophobicContact CD1-CB 4.27Å; I43-F69 HydrophobicContact CD1-CD1 3.4Å; I43-F69 HydrophobicContact CD1-CE1 4.06Å; I43-F69 HydrophobicContact CD1-CG 4.14Å; I43-F69 HydrophobicContact CG1-CB 4.12Å; I43-F69 HydrophobicContact CG1-CD1 3.63Å; I43-F69 HydrophobicContact CG1-CE1 4.25Å; I43-F69 HydrophobicContact CG1-CG 3.97Å; I43-F69 HydrophobicContact CG2-CB 4.01Å; F69-E71 PolarHBondContact O-N 3.09Å; F69-W72 PolarHBondContact N-O 2.82Å; F69-W72 WeakPolarHBondContact O-CA 3.49Å; F69-W72 WeakPolarHBondContact O-CB 3.45Å; F69-W72 PolarHBondContact O-N 2.77Å
70N94.8Very high96.7Very high107 Ų10749.6 Ų49.657%0.57225%0.249SC*.THydrogen-bonded Turntrans51.6-123.3-172.4-59.7-19.8000111.7K68 W72K68-N70 WeakPolarHBondContact CE-O 3.37Å; N70-W72 VanDerWaalsContact C-N 3.35Å
71E93.9Very high96.6Very high96 Ų9648.7 Ų48.745%0.44925%0.25SC..THydrogen-bonded Turntrans-78.5-13.4173.765.9-81.5175.500114.5F69 T90F69-E71 PolarHBondContact O-N 3.09Å; E71-T90 HydrophobicContact CG-CG2 3.98Å
72W96.8Very high96.5Very high10 Ų1046.8 Ų46.84%0.03825%0.246CC..EExtended strand (participates in β ladder)trans-84.5118.5-175.8-64.395.7000111.1E8 K40 I43 K68 F69 N70 L88 T90E8-W72 HydrophobicContact CB-CH2 3.54Å; E8-W72 HydrophobicContact CB-CZ2 4.5Å; E8-W72 HydrophobicContact CB-CZ3 4.06Å; E8-W72 HydrophobicContact CG-CH2 4.44Å; E8-W72 WeakPolarHBondContact OE2-CH2 3.24Å; K40-W72 HydrophobicContact CD-CH2 4.1Å; K40-W72 HydrophobicContact CD-CZ2 4.21Å; K40-W72 VanDerWaalsContact CE-CH2 3.45Å; K40-W72 HydrophobicContact CG-CH2 4.5Å; K40-W72 HydrophobicContact CG-CZ2 4.3Å; I43-W72 HydrophobicContact CD1-CB 4.25Å; I43-W72 HydrophobicContact CD1-CG 4.13Å; K68-W72 CarbonylContact C-O 3.56Å; K68-W72 VanDerWaalsContact CA-O 3.3Å; K68-W72 WeakPolarHBondContact CA-O 3.46Å; F69-W72 PolarHBondContact N-O 2.82Å; F69-W72 WeakPolarHBondContact O-CA 3.49Å; F69-W72 WeakPolarHBondContact O-CB 3.45Å; F69-W72 PolarHBondContact O-N 2.77Å; N70-W72 VanDerWaalsContact C-N 3.35Å; W72-L88 HydrophobicContact CE3-CB 3.8Å; W72-L88 HydrophobicContact CZ3-CB 4.27Å; W72-T90 HydrophobicContact CD2-CG2 4.14Å; W72-T90 HydrophobicContact CE3-CG2 3.93Å; W72-T90 HydrophobicContact CH2-CG2 3.77Å; W72-T90 HydrophobicContact CZ2-CG2 3.91Å; W72-T90 HydrophobicContact CZ3-CG2 3.77Å
73T98Very high96.5Very high21 Ų2147 Ų4713%0.12925%0.248CC..EExtended strand (participates in β ladder)trans-100.3139.5169.2-53.10000109.2Q65 L88 H89Q65-T73 HydrophobicContact CB-CG2 3.73Å; Q65-T73 HydrophobicContact CG-CG2 3.66Å; T73-L88 CarbonylContact O-C 3.46Å; T73-L88 WeakPolarHBondContact O-CA 3.38Å; T73-H89 PolarHBondContact N-O 3.32Å; T73-H89 PolarHBondContact O-CD2 3.29Å; T73-H89 PolarHBondContact O-N 2.88Å
74V98.5Very high96.5Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-105.5126.7178.8-174.30000109.9I43 Q65 I66 D67 L86 M87 L88I43-V74 HydrophobicContact CG2-CG2 4.05Å; Q65-V74 CarbonylContact C-O 3.48Å; Q65-V74 WeakPolarHBondContact CA-O 3.45Å; Q65-V74 PolarHBondContact N-O 3.27Å; I66-V74 HydrophobicContact CD1-CG1 4.13Å; I66-V74 HydrophobicContact CG1-CB 4.19Å; I66-V74 HydrophobicContact CG1-CG1 4.06Å; I66-V74 WeakPolarHBondContact CG1-O 3.41Å; I66-V74 PolarHBondContact N-O 3.38Å; D67-V74 HydrophobicContact CB-CB 4.16Å; D67-V74 HydrophobicContact CB-CG2 4.25Å; D67-V74 PolarHBondContact O-N 2.86Å; V74-L86 HydrophobicContact CG1-CD2 4.44Å; V74-M87 WeakPolarHBondContact CA-O 3.42Å; V74-L88 HydrophobicContact CG1-CD1 4.38Å; V74-L88 HydrophobicContact CG2-CD1 4.12Å; V74-L88 HydrophobicContact CG2-CG 4.15Å
75S98.5Very high96.6Very high3 Ų342.8 Ų42.82%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-120.1146.1166.4-64.50000109.6Q65 M87 H89Q65-S75 PolarHBondContact N-OG 3.42Å; Q65-S75 VanDerWaalsContact N-OG 3.07Å; S75-M87 PolarHBondContact N-O 3.37Å; S75-M87 PolarHBondContact O-N 2.99Å; S75-H89 PolarHBondContact OG-NE2 2.95Å; S75-H89 VanDerWaalsContact OG-NE2 3.12Å
76A98.5Very high96.8Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-127.9154.2-174.700000112.7V51 L63 I66 F85 L86V51-A76 HydrophobicContact CG1-CB 4.18Å; V51-A76 HydrophobicContact CG2-CB 3.97Å; L63-A76 HydrophobicContact CB-CB 4.34Å; L63-A76 PolarHBondContact N-O 3.47Å; L63-A76 PolarHBondContact O-N 3.47Å; L63-A76 VanDerWaalsContact O-O 3.09Å; I66-A76 HydrophobicContact CD1-CB 3.94Å; A76-F85 CarbonylContact C-O 3.53Å; A76-F85 WeakPolarHBondContact CA-O 3.26Å; A76-L86 HydrophobicContact CB-CD2 3.74Å
77F98.4Very high96.9Very high15 Ų1537.7 Ų37.77%0.06621%0.205CC..EExtended strand (participates in β ladder)trans-133.2109.2168.8-171.2-81.7000109.3M61 L62 L79 F85 F101 Y105M61-F77 HydrophobicContact CB-CD1 4.33Å; M61-F77 HydrophobicContact CB-CD2 4.22Å; M61-F77 HydrophobicContact CB-CE1 3.94Å; M61-F77 HydrophobicContact CB-CE2 3.84Å; M61-F77 HydrophobicContact CB-CG 4.45Å; M61-F77 HydrophobicContact CB-CZ 3.69Å; M61-F77 HydrophobicContact CE-CE1 4.29Å; M61-F77 HydrophobicContact CE-CZ 3.69Å; M61-F77 HydrophobicContact CG-CZ 4.41Å; M61-F77 CarbonylContact O-C 3.55Å; M61-F77 VanDerWaalsContact O-CA 3.23Å; M61-F77 WeakPolarHBondContact O-CA 3.4Å; M61-F77 HydrophobicContact SD-CE1 3.91Å; M61-F77 HydrophobicContact SD-CZ 3.89Å; L62-F77 HydrophobicContact CB-CD2 3.94Å; L62-F77 HydrophobicContact CB-CE2 4.34Å; L62-F77 HydrophobicContact CD1-CD2 4.07Å; F77-L79 HydrophobicContact CD1-CD1 3.68Å; F77-L79 HydrophobicContact CE1-CD1 4.01Å; F77-F85 HydrophobicContact CB-CB 4.05Å; F77-F85 HydrophobicContact CB-CD2 4.41Å; F77-F85 HydrophobicContact CD1-CD2 4.14Å; F77-F85 PolarHBondContact N-O 3.37Å; F77-F85 PolarHBondContact O-N 3.06Å; F77-F101 HydrophobicContact CB-CB 4Å; F77-F101 HydrophobicContact CB-CD1 4.23Å; F77-F101 HydrophobicContact CB-CD2 3.58Å; F77-F101 HydrophobicContact CB-CE2 3.93Å; F77-F101 HydrophobicContact CB-CG 3.71Å; F77-F101 HydrophobicContact CB-CZ 4.39Å; F77-F101 HydrophobicContact CD2-CB 3.92Å; F77-F101 HydrophobicContact CD2-CD2 4.34Å; F77-F101 HydrophobicContact CD2-CG 4.45Å; F77-F101 HydrophobicContact CG-CB 3.98Å; F77-F101 HydrophobicContact CG-CD2 4.33Å; F77-F101 HydrophobicContact CG-CG 4.26Å; F77-Y105 HydrophobicContact CE1-CD2 4.12Å; F77-Y105 HydrophobicContact CE1-CG 4Å; F77-Y105 HydrophobicContact CZ-CG 4.46Å
78V97.9Very high96.9Very high19 Ų1935.1 Ų35.112%0.11519%0.191CC..EExtended strand (participates in β ladder)trans-97.2120.6-171.4-171.40000109.7V51 M61 L63 R84V51-V78 HydrophobicContact CG1-CG2 3.57Å; M61-V78 VanDerWaalsContact CB-O 3.24Å; M61-V78 WeakPolarHBondContact CB-O 3.38Å; M61-V78 WeakPolarHBondContact CG-O 3.42Å; M61-V78 PolarHBondContact O-N 3.33Å; L63-V78 HydrophobicContact CD1-CG2 3.84Å; L63-V78 HydrophobicContact CG-CG2 4.46Å; V78-R84 HydrophobicContact CG1-CG 4.09Å; V78-R84 HydrophobicContact CG2-CG 4.24Å
79L96.4Very high96.9Very high6 Ų628.3 Ų28.33%0.03116%0.162CC..  trans-85.6154.7179.1-78.763.9000110.4F77 S81 G82 V83 F85 Y105 F108F77-L79 HydrophobicContact CD1-CD1 3.68Å; F77-L79 HydrophobicContact CE1-CD1 4.01Å; L79-S81 PolarHBondContact O-N 3.04Å; L79-G82 PolarHBondContact O-N 3.29Å; L79-V83 HydrophobicContact CB-CB 4.36Å; L79-V83 WeakPolarHBondContact CB-O 3.43Å; L79-V83 HydrophobicContact CD2-CB 4.27Å; L79-V83 HydrophobicContact CD2-CG1 4.43Å; L79-V83 PolarHBondContact N-O 2.96Å; L79-F85 HydrophobicContact CD1-CD1 4.18Å; L79-F85 HydrophobicContact CD1-CD2 4.19Å; L79-F85 HydrophobicContact CD1-CE1 4Å; L79-F85 HydrophobicContact CD1-CE2 4.02Å; L79-F85 HydrophobicContact CD1-CG 4.27Å; L79-F85 HydrophobicContact CD1-CZ 3.91Å; L79-F85 HydrophobicContact CD2-CE1 4.35Å; L79-F85 HydrophobicContact CD2-CZ 4.15Å; L79-Y105 HydrophobicContact CD1-CD2 4.07Å; L79-Y105 HydrophobicContact CD1-CE2 4.46Å; L79-Y105 HydrophobicContact CD2-CD2 3.65Å; L79-Y105 HydrophobicContact CD2-CE2 3.65Å; L79-Y105 HydrophobicContact CG-CD2 3.63Å; L79-Y105 HydrophobicContact CG-CE2 3.57Å; L79-F108 HydrophobicContact CD2-CD1 3.6Å; L79-F108 HydrophobicContact CD2-CE1 3.81Å
80P93.4Very high96.8Very high114 Ų11425.2 Ų25.274%0.7415%0.151SC*.THydrogen-bonded Turntrans-57.4-21.6173.7-26.535.2000114.6G82P80-G82 PolarHBondContact O-N 3.37Å
81S92.7Very high96.7Very high69 Ų6921.7 Ų21.748%0.48313%0.134SC..THydrogen-bonded Turntrans-75.3-6.7175.158.60000114.1L79 V83L79-S81 PolarHBondContact O-N 3.04Å; S81-V83 VanDerWaalsContact C-N 3.26Å; S81-V83 WeakPolarHBondContact OG-CG2 3.29Å; S81-V83 PolarHBondContact OG-N 2.84Å
82G94.2Very high96.7Very high24 Ų2426.3 Ų26.325%0.24715%0.147CC..SBendtrans80.12.3-17000000113.9R16 L79 P80 R84R16-G82 WeakPolarHBondContact CA-O 3.37Å; L79-G82 PolarHBondContact O-N 3.29Å; P80-G82 PolarHBondContact O-N 3.37Å; G82-R84 PolarHBondContact O-NE 3.41Å
83V97Very high96.6Very high14 Ų1427.8 Ų27.89%0.08516%0.156CC..  trans-70.8136168.8174.20000108.6I13 V14 L79 S81 F85 F108I13-V83 HydrophobicContact CG2-CG1 3.61Å; V14-V83 WeakPolarHBondContact O-CA 3.34Å; L79-V83 HydrophobicContact CB-CB 4.36Å; L79-V83 WeakPolarHBondContact CB-O 3.43Å; L79-V83 HydrophobicContact CD2-CB 4.27Å; L79-V83 HydrophobicContact CD2-CG1 4.43Å; L79-V83 PolarHBondContact N-O 2.96Å; S81-V83 VanDerWaalsContact C-N 3.26Å; S81-V83 WeakPolarHBondContact OG-CG2 3.29Å; S81-V83 PolarHBondContact OG-N 2.84Å; V83-F85 HydrophobicContact CG1-CD1 4.34Å; V83-F85 HydrophobicContact CG1-CE1 4.05Å; V83-F108 HydrophobicContact CB-CE1 4.42Å; V83-F108 HydrophobicContact CB-CZ 4.39Å; V83-F108 HydrophobicContact CG1-CE1 4.15Å; V83-F108 HydrophobicContact CG1-CE2 4.39Å; V83-F108 HydrophobicContact CG1-CZ 3.87Å; V83-F108 HydrophobicContact CG2-CE1 4.28Å; V83-F108 HydrophobicContact CG2-CZ 4.03Å
84R97.8Very high96.5Very high3 Ų328 Ų281%0.01116%0.156CC..EExtended strand (participates in β ladder)trans-120.1126.9-176.8-67.2154.1-67.1-179.510109.4I13 V14 D15 D18 V51 D52 V78 G82I13-R84 WeakPolarHBondContact CA-O 3.34Å; V14-R84 PolarHBondContact N-O 3.48Å; V14-R84 PolarHBondContact O-N 3.38Å; D15-R84 PolarHBondContact O-NH2 2.87Å; D18-R84 IonicContact OD1-CZ 2.84Å; D18-R84 IonicContact OD1-NH1 2.63Å; D18-R84 PolarHBondContact OD1-NH1 2.95Å; D18-R84 IonicContact OD1-NH2 3.96Å; D18-R84 PolarHBondContact OD1-NH2 3.37Å; V51-R84 HydrophobicContact CG1-CG 4Å; D52-R84 VanDerWaalsContact CG-NH1 3.27Å; D52-R84 WeakPolarHBondContact OD1-CD 3.08Å; D52-R84 IonicContact OD1-CZ 3.42Å; D52-R84 IonicContact OD1-NE 3.29Å; D52-R84 IonicContact OD1-NH1 2.65Å; D52-R84 PolarHBondContact OD1-NH1 3.47Å; D52-R84 IonicContact OD2-NH1 2.87Å; D52-R84 PolarHBondContact OD2-NH1 2.83Å; V78-R84 HydrophobicContact CG1-CG 4.09Å; V78-R84 HydrophobicContact CG2-CG 4.24Å; G82-R84 PolarHBondContact O-NE 3.41Å
85F98.7Very high96.4Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-91.2126.9166.9-67-3.8000107.7F11 L12 I13 A76 F77 L79 V83 F101 M104 F108F11-F85 HydrophobicContact CE2-CB 3.94Å; F11-F85 HydrophobicContact CE2-CD2 4.5Å; F11-F85 HydrophobicContact CE2-CG 4.11Å; F11-F85 HydrophobicContact CZ-CG 4.32Å; L12-F85 WeakPolarHBondContact O-CA 3.18Å; I13-F85 HydrophobicContact CB-CD1 4.23Å; I13-F85 HydrophobicContact CB-CE1 4.45Å; I13-F85 HydrophobicContact CD1-CD1 4.14Å; I13-F85 HydrophobicContact CD1-CE1 3.82Å; I13-F85 HydrophobicContact CD1-CZ 4.47Å; I13-F85 HydrophobicContact CG1-CD1 3.71Å; I13-F85 HydrophobicContact CG1-CE1 3.9Å; I13-F85 HydrophobicContact CG2-CD1 3.87Å; I13-F85 HydrophobicContact CG2-CE1 3.81Å; A76-F85 CarbonylContact C-O 3.53Å; A76-F85 WeakPolarHBondContact CA-O 3.26Å; F77-F85 HydrophobicContact CB-CB 4.05Å; F77-F85 HydrophobicContact CB-CD2 4.41Å; F77-F85 HydrophobicContact CD1-CD2 4.14Å; F77-F85 PolarHBondContact N-O 3.37Å; F77-F85 PolarHBondContact O-N 3.06Å; L79-F85 HydrophobicContact CD1-CD1 4.18Å; L79-F85 HydrophobicContact CD1-CD2 4.19Å; L79-F85 HydrophobicContact CD1-CE1 4Å; L79-F85 HydrophobicContact CD1-CE2 4.02Å; L79-F85 HydrophobicContact CD1-CG 4.27Å; L79-F85 HydrophobicContact CD1-CZ 3.91Å; L79-F85 HydrophobicContact CD2-CE1 4.35Å; L79-F85 HydrophobicContact CD2-CZ 4.15Å; V83-F85 HydrophobicContact CG1-CD1 4.34Å; V83-F85 HydrophobicContact CG1-CE1 4.05Å; F85-F101 HydrophobicContact CB-CD1 3.92Å; F85-F101 HydrophobicContact CB-CE1 3.71Å; F85-F101 HydrophobicContact CB-CZ 4.36Å; F85-F101 HydrophobicContact CD2-CD1 4.1Å; F85-F101 HydrophobicContact CG-CD1 4.5Å; F85-M104 HydrophobicContact CE2-CB 4.14Å; F85-F108 HydrophobicContact CE1-CB 4.4Å; F85-F108 HydrophobicContact CE1-CD1 4.49Å; F85-F108 HydrophobicContact CE1-CD2 4.25Å; F85-F108 HydrophobicContact CE1-CG 4.12Å; F85-F108 HydrophobicContact CZ-CB 3.71Å; F85-F108 HydrophobicContact CZ-CD1 4.3Å; F85-F108 HydrophobicContact CZ-CD2 4.39Å; F85-F108 AromaticContact CZ-CG 3.88Å; F85-F108 HydrophobicContact CZ-CG 3.88Å
86L98.6Very high96.3Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-115139.4176.5-60.7178000109.3F11 L12 V14 A44 L48 V51 V74 A76F11-L86 WeakPolarHBondContact CA-O 3.47Å; F11-L86 WeakPolarHBondContact CD2-O 3.29Å; L12-L86 HydrophobicContact CD1-CB 4.46Å; L12-L86 PolarHBondContact N-O 3.48Å; L12-L86 PolarHBondContact O-N 2.73Å; V14-L86 HydrophobicContact CG2-CD1 4.24Å; A44-L86 HydrophobicContact CB-CD1 3.93Å; A44-L86 WeakPolarHBondContact O-CD1 3.42Å; L48-L86 HydrophobicContact CD2-CD1 3.84Å; V51-L86 HydrophobicContact CG2-CD2 3.84Å; V74-L86 HydrophobicContact CG1-CD2 4.44Å; A76-L86 HydrophobicContact CB-CD2 3.74Å
87M98.6Very high96.3Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-126.5111.1172.4-1766669.400108.3Y9 F11 V74 S75 H89 I97 F100 F101 L140Y9-M87 HydrophobicContact CD1-CG 4.37Å; Y9-M87 HydrophobicContact CD1-SD 4.06Å; Y9-M87 HydrophobicContact CG-SD 4.42Å; F11-M87 HydrophobicContact CB-CE 3.81Å; F11-M87 HydrophobicContact CB-SD 4.18Å; F11-M87 HydrophobicContact CD2-CE 4.02Å; F11-M87 HydrophobicContact CG-CE 4.22Å; V74-M87 WeakPolarHBondContact CA-O 3.42Å; S75-M87 PolarHBondContact N-O 3.37Å; S75-M87 PolarHBondContact O-N 2.99Å; M87-H89 PolarHBondContact O-CD2 3.18Å; M87-I97 HydrophobicContact CB-CG2 4.2Å; M87-I97 HydrophobicContact CG-CD1 4.07Å; M87-I97 HydrophobicContact CG-CG1 4.11Å; M87-I97 HydrophobicContact CG-CG2 4.23Å; M87-F100 HydrophobicContact CE-CD1 3.64Å; M87-F100 HydrophobicContact CE-CE1 3.63Å; M87-F100 HydrophobicContact CE-CG 4.39Å; M87-F100 HydrophobicContact CE-CZ 4.37Å; M87-F101 HydrophobicContact CB-CE1 4.02Å; M87-F101 HydrophobicContact CB-CE2 4.3Å; M87-F101 HydrophobicContact CB-CZ 3.47Å; M87-F101 VanDerWaalsContact CB-CZ 3.47Å; M87-F101 HydrophobicContact CE-CE1 4.38Å; M87-L140 HydrophobicContact CE-CD1 3.55Å; M87-L140 HydrophobicContact CE-CD2 4.31Å; M87-L140 HydrophobicContact SD-CD1 4.23Å
88L97.9Very high96.3Very high0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-86132.5165-86.169.4000108Y9 Y10 L12 K40 I43 A44 W72 T73 V74Y9-L88 CarbonylContact C-O 3.37Å; Y9-L88 VanDerWaalsContact CA-O 3.26Å; Y9-L88 WeakPolarHBondContact CA-O 3.44Å; Y10-L88 HydrophobicContact CD1-CD2 4.36Å; Y10-L88 PolarHBondContact N-O 2.85Å; Y10-L88 PolarHBondContact O-N 3.36Å; L12-L88 HydrophobicContact CD1-CD1 4.27Å; K40-L88 HydrophobicContact CB-CD2 4.1Å; K40-L88 VanDerWaalsContact O-CD2 3.27Å; K40-L88 WeakPolarHBondContact O-CD2 3.48Å; I43-L88 HydrophobicContact CB-CD2 3.89Å; I43-L88 HydrophobicContact CG2-CD2 3.82Å; I43-L88 HydrophobicContact CG2-CG 4.38Å; A44-L88 HydrophobicContact CB-CD1 3.71Å; W72-L88 HydrophobicContact CE3-CB 3.8Å; W72-L88 HydrophobicContact CZ3-CB 4.27Å; T73-L88 CarbonylContact O-C 3.46Å; T73-L88 WeakPolarHBondContact O-CA 3.38Å; V74-L88 HydrophobicContact CG1-CD1 4.38Å; V74-L88 HydrophobicContact CG2-CD1 4.12Å; V74-L88 HydrophobicContact CG2-CG 4.15Å
89H96.9Very high96.3Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-148.4143.7-178.659.997.8000112.9E8 Y9 T73 S75 M87 C91 I97E8-H89 VanDerWaalsContact O-CA 3.31Å; E8-H89 WeakPolarHBondContact O-CA 3.32Å; Y9-H89 HydrophobicContact CD1-CB 3.6Å; Y9-H89 HydrophobicContact CE1-CB 3.87Å; Y9-H89 HydrophobicContact CG-CB 4.47Å; T73-H89 PolarHBondContact N-O 3.32Å; T73-H89 PolarHBondContact O-CD2 3.29Å; T73-H89 PolarHBondContact O-N 2.88Å; S75-H89 PolarHBondContact OG-NE2 2.95Å; S75-H89 VanDerWaalsContact OG-NE2 3.12Å; M87-H89 PolarHBondContact O-CD2 3.18Å; H89-C91 PolarHBondContact ND1-O 3.49Å; H89-I97 HydrophobicContact CB-CD1 4.34Å
90T95Very high96.4Very high29 Ų2939.4 Ų39.418%0.17821%0.212CC..SBendtrans-90.2-15.9179.658.80000113.7P6 E8 E71 W72P6-T90 PolarHBondContact O-OG1 3.06Å; E8-T90 HydrophobicContact CB-CG2 4.09Å; E8-T90 PolarHBondContact N-OG1 3.46Å; E8-T90 PolarHBondContact O-N 3.44Å; E8-T90 VanDerWaalsContact O-N 3.14Å; E71-T90 HydrophobicContact CG-CG2 3.98Å; W72-T90 HydrophobicContact CD2-CG2 4.14Å; W72-T90 HydrophobicContact CE3-CG2 3.93Å; W72-T90 HydrophobicContact CH2-CG2 3.77Å; W72-T90 HydrophobicContact CZ2-CG2 3.91Å; W72-T90 HydrophobicContact CZ3-CG2 3.77Å
91C93.4Very high96.7Very high32 Ų3234 Ų3422%0.21618%0.176CC..SBendtrans-126149.1179.463.80000111.4K7 Y9 H89 N93K7-C91 HydrophobicContact CG-CB 4.16Å; Y9-C91 PolarHBondContact OH-SG 3.36Å; H89-C91 PolarHBondContact ND1-O 3.49Å; C91-N93 PolarHBondContact O-N 2.93Å
92R92.8Very high96.9Very high193 Ų19333.6 Ų33.673%0.72817%0.172SC*.  trans-72.6120176-174.2174.3-179.2-178-1.7110.7D94R92-D94 IonicContact CZ-OD2 3.41Å; R92-D94 IonicContact NE-OD1 3.99Å; R92-D94 IonicContact NE-OD2 2.9Å; R92-D94 PolarHBondContact NE-OD2 2.81Å; R92-D94 IonicContact NH2-OD2 3.01Å; R92-D94 PolarHBondContact NH2-OD2 2.8Å
93N95Very high97.1Very high42 Ų4234.5 Ų34.523%0.22517%0.169CC..  trans-148.158177.5-176.413.3000110.6Y9 C91 D95 G96 I97 Y139Y9-N93 HydrophobicContact CE1-CB 4.28Å; Y9-N93 WeakPolarHBondContact OH-CB 3.46Å; Y9-N93 PolarHBondContact OH-ND2 3.13Å; C91-N93 PolarHBondContact O-N 2.93Å; N93-D95 VanDerWaalsContact C-N 3.27Å; N93-D95 PolarHBondContact O-N 2.63Å; N93-G96 PolarHBondContact O-N 3.38Å; N93-G96 WeakPolarHBondContact OD1-CA 3.45Å; N93-G96 PolarHBondContact OD1-N 3.12Å; N93-G96 VanDerWaalsContact OD1-N 3.11Å; N93-I97 WeakPolarHBondContact O-CB 3.49Å; N93-I97 VanDerWaalsContact O-CG1 3.23Å; N93-I97 WeakPolarHBondContact O-CG1 3.31Å; N93-I97 PolarHBondContact O-N 2.82Å; N93-Y139 PolarHBondContact ND2-O 3.41Å
94D95.7Very high97.2Very high24 Ų2433.9 Ų33.913%0.12817%0.165CC..Hα-helixtrans-59.2-36.6-170.5-59.6-27.9000112.7K64 Q65 R92 R98K64-D94 HydrophobicContact CD-CB 4.34Å; Q65-D94 PolarHBondContact NE2-OD1 2.86Å; R92-D94 IonicContact CZ-OD2 3.41Å; R92-D94 IonicContact NE-OD1 3.99Å; R92-D94 IonicContact NE-OD2 2.9Å; R92-D94 PolarHBondContact NE-OD2 2.81Å; R92-D94 IonicContact NH2-OD2 3.01Å; R92-D94 PolarHBondContact NH2-OD2 2.8Å; D94-R98 VanDerWaalsContact O-CB 3.32Å; D94-R98 WeakPolarHBondContact O-CB 3.3Å; D94-R98 PolarHBondContact O-N 3.33Å
95D96.6Very high97.2Very high108 Ų10836.8 Ų36.858%0.57818%0.177SC*.Hα-helixtrans-77.9-40.9-179-65.5-39.7000112.6N93 R98 N99N93-D95 VanDerWaalsContact C-N 3.27Å; N93-D95 PolarHBondContact O-N 2.63Å; D95-R98 PolarHBondContact O-N 3.5Å; D95-N99 WeakPolarHBondContact O-CB 3.29Å; D95-N99 VanDerWaalsContact O-CG 3.24Å; D95-N99 PolarHBondContact O-N 2.87Å; D95-N99 PolarHBondContact O-ND2 2.87Å
96G97.5Very high97.2Very high7 Ų741.3 Ų41.37%0.07220%0.198CC..Hα-helixtrans-62.4-44.7173.700000111.7N93 N99 F100 Y139N93-G96 PolarHBondContact O-N 3.38Å; N93-G96 WeakPolarHBondContact OD1-CA 3.45Å; N93-G96 PolarHBondContact OD1-N 3.12Å; N93-G96 VanDerWaalsContact OD1-N 3.11Å; G96-N99 PolarHBondContact O-N 2.91Å; G96-F100 VanDerWaalsContact O-CB 3.32Å; G96-F100 WeakPolarHBondContact O-CB 3.27Å; G96-F100 PolarHBondContact O-N 3.26Å; G96-Y139 WeakPolarHBondContact CA-O 3.09Å; G96-Y139 WeakPolarHBondContact O-CB 3.3Å
97I98.4Very high97.1Very high3 Ų342.1 Ų42.12%0.01520%0.203CC..Hα-helixtrans-63-44.2177-66.9169.5000110.9Y9 M87 H89 N93 N99 F100 F101 L140Y9-I97 HydrophobicContact CE1-CD1 4.35Å; Y9-I97 HydrophobicContact CE1-CG1 4.32Å; M87-I97 HydrophobicContact CB-CG2 4.2Å; M87-I97 HydrophobicContact CG-CD1 4.07Å; M87-I97 HydrophobicContact CG-CG1 4.11Å; M87-I97 HydrophobicContact CG-CG2 4.23Å; H89-I97 HydrophobicContact CB-CD1 4.34Å; N93-I97 WeakPolarHBondContact O-CB 3.49Å; N93-I97 VanDerWaalsContact O-CG1 3.23Å; N93-I97 WeakPolarHBondContact O-CG1 3.31Å; N93-I97 PolarHBondContact O-N 2.82Å; I97-N99 PolarHBondContact O-N 2.78Å; I97-F100 PolarHBondContact O-N 2.89Å; I97-F101 HydrophobicContact CG2-CD2 3.69Å; I97-F101 HydrophobicContact CG2-CE2 3.42Å; I97-F101 VanDerWaalsContact CG2-CE2 3.42Å; I97-F101 HydrophobicContact CG2-CZ 4.01Å; I97-F101 WeakPolarHBondContact O-CD2 3.21Å; I97-F101 WeakPolarHBondContact O-CG 3.4Å; I97-F101 PolarHBondContact O-N 3.05Å; I97-L140 HydrophobicContact CG1-CD2 4.08Å
98R98.1Very high97.1Very high92 Ų9242.7 Ų42.735%0.34721%0.205SC..Hα-helixtrans-56.3-52.3174.4178.2-165.8-56.6-94.816111.3L62 D94 D95 F100 F101 T102L62-R98 HydrophobicContact CD2-CB 4.07Å; L62-R98 HydrophobicContact CD2-CG 3.95Å; L62-R98 VanDerWaalsContact CD2-NH1 3.33Å; D94-R98 VanDerWaalsContact O-CB 3.32Å; D94-R98 WeakPolarHBondContact O-CB 3.3Å; D94-R98 PolarHBondContact O-N 3.33Å; D95-R98 PolarHBondContact O-N 3.5Å; R98-F100 VanDerWaalsContact C-N 3.32Å; R98-F100 PolarHBondContact O-N 3.08Å; R98-F101 PolarHBondContact O-N 3Å; R98-T102 PolarHBondContact O-N 3.44Å; R98-T102 PolarHBondContact O-OG1 2.84Å; R98-T102 VanDerWaalsContact O-OG1 3.05Å
99N98.4Very high97Very high73 Ų7345.5 Ų45.539%0.3922%0.22SC..Hα-helixtrans-63.6-39.5-177.6-69.3-26.4000111.8D95 G96 I97 T102 E103 Y139D95-N99 WeakPolarHBondContact O-CB 3.29Å; D95-N99 VanDerWaalsContact O-CG 3.24Å; D95-N99 PolarHBondContact O-N 2.87Å; D95-N99 PolarHBondContact O-ND2 2.87Å; G96-N99 PolarHBondContact O-N 2.91Å; I97-N99 PolarHBondContact O-N 2.78Å; N99-T102 PolarHBondContact O-N 3.49Å; N99-E103 WeakPolarHBondContact O-CG 3.23Å; N99-E103 PolarHBondContact O-N 3.33Å; N99-Y139 HydrophobicContact CB-CD1 3.62Å; N99-Y139 HydrophobicContact CB-CD2 4.41Å; N99-Y139 HydrophobicContact CB-CE1 3.62Å; N99-Y139 HydrophobicContact CB-CE2 4.41Å; N99-Y139 HydrophobicContact CB-CG 4.03Å
100F98.6Very high96.9Very high0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-59.5-50173.3178.2-90000111.7F11 F26 M87 G96 I97 R98 T102 E103 M104 V132 Y139 L140F11-F100 HydrophobicContact CB-CE1 4.32Å; F11-F100 HydrophobicContact CB-CZ 4.41Å; F11-F100 AromaticContact CD1-CE1 3.89Å; F11-F100 HydrophobicContact CD1-CE1 3.89Å; F11-F100 AromaticContact CD1-CZ 3.81Å; F11-F100 HydrophobicContact CD1-CZ 3.81Å; F11-F100 AromaticContact CD2-CE1 3.65Å; F11-F100 HydrophobicContact CD2-CE1 3.65Å; F11-F100 HydrophobicContact CD2-CZ 4.37Å; F11-F100 HydrophobicContact CE1-CE1 4.06Å; F11-F100 HydrophobicContact CE1-CZ 4.13Å; F11-F100 AromaticContact CE2-CE1 3.85Å; F11-F100 HydrophobicContact CE2-CE1 3.85Å; F11-F100 AromaticContact CG-CE1 3.67Å; F11-F100 HydrophobicContact CG-CE1 3.67Å; F11-F100 AromaticContact CG-CZ 3.93Å; F11-F100 HydrophobicContact CG-CZ 3.93Å; F11-F100 HydrophobicContact CZ-CE1 4.04Å; F26-F100 HydrophobicContact CE2-CE2 4.49Å; F26-F100 HydrophobicContact CE2-CZ 4.36Å; F26-F100 HydrophobicContact CZ-CE2 4.24Å; F26-F100 HydrophobicContact CZ-CZ 4.38Å; M87-F100 HydrophobicContact CE-CD1 3.64Å; M87-F100 HydrophobicContact CE-CE1 3.63Å; M87-F100 HydrophobicContact CE-CG 4.39Å; M87-F100 HydrophobicContact CE-CZ 4.37Å; G96-F100 VanDerWaalsContact O-CB 3.32Å; G96-F100 WeakPolarHBondContact O-CB 3.27Å; G96-F100 PolarHBondContact O-N 3.26Å; I97-F100 PolarHBondContact O-N 2.89Å; R98-F100 VanDerWaalsContact C-N 3.32Å; R98-F100 PolarHBondContact O-N 3.08Å; F100-T102 PolarHBondContact O-N 3.33Å; F100-E103 PolarHBondContact O-N 3.45Å; F100-M104 HydrophobicContact CD1-CG 4.04Å; F100-M104 HydrophobicContact CD2-CG 4.48Å; F100-M104 HydrophobicContact CE1-CB 4.49Å; F100-M104 HydrophobicContact CE1-CG 3.58Å; F100-M104 HydrophobicContact CE2-CG 4.07Å; F100-M104 HydrophobicContact CG-CG 4.47Å; F100-M104 HydrophobicContact CZ-CG 3.6Å; F100-M104 HydrophobicContact CZ-SD 4.31Å; F100-M104 WeakPolarHBondContact O-CB 3.19Å; F100-M104 WeakPolarHBondContact O-CG 3.24Å; F100-M104 PolarHBondContact O-N 2.92Å; F100-V132 HydrophobicContact CZ-CG1 4.39Å; F100-Y139 HydrophobicContact CB-CD2 4.16Å; F100-L140 HydrophobicContact CB-CD2 4.19Å; F100-L140 HydrophobicContact CB-CG 4.47Å; F100-L140 HydrophobicContact CD1-CD1 4.43Å; F100-L140 HydrophobicContact CD2-CD1 3.81Å; F100-L140 HydrophobicContact CD2-CG 4.06Å; F100-L140 HydrophobicContact CE2-CD1 3.94Å; F100-L140 HydrophobicContact CG-CD1 4.07Å; F100-L140 HydrophobicContact CG-CD2 4.38Å; F100-L140 HydrophobicContact CG-CG 4.28Å; F100-L140 HydrophobicContact CZ-CD1 4.32Å
101F98.7Very high96.9Very high0 Ų051.2 Ų51.20%024%0.243CC..Hα-helixtrans-61.8-41.3179.4-75.3-32.9000112.8F11 L62 F77 F85 M87 I97 R98 E103 M104 Y105F11-F101 HydrophobicContact CD2-CE1 4.03Å; F11-F101 HydrophobicContact CE2-CD1 4.2Å; F11-F101 AromaticContact CE2-CE1 3.87Å; F11-F101 HydrophobicContact CE2-CE1 3.87Å; L62-F101 HydrophobicContact CD1-CD2 3.73Å; L62-F101 HydrophobicContact CD1-CE2 4.16Å; F77-F101 HydrophobicContact CB-CB 4Å; F77-F101 HydrophobicContact CB-CD1 4.23Å; F77-F101 HydrophobicContact CB-CD2 3.58Å; F77-F101 HydrophobicContact CB-CE2 3.93Å; F77-F101 HydrophobicContact CB-CG 3.71Å; F77-F101 HydrophobicContact CB-CZ 4.39Å; F77-F101 HydrophobicContact CD2-CB 3.92Å; F77-F101 HydrophobicContact CD2-CD2 4.34Å; F77-F101 HydrophobicContact CD2-CG 4.45Å; F77-F101 HydrophobicContact CG-CB 3.98Å; F77-F101 HydrophobicContact CG-CD2 4.33Å; F77-F101 HydrophobicContact CG-CG 4.26Å; F85-F101 HydrophobicContact CB-CD1 3.92Å; F85-F101 HydrophobicContact CB-CE1 3.71Å; F85-F101 HydrophobicContact CB-CZ 4.36Å; F85-F101 HydrophobicContact CD2-CD1 4.1Å; F85-F101 HydrophobicContact CG-CD1 4.5Å; M87-F101 HydrophobicContact CB-CE1 4.02Å; M87-F101 HydrophobicContact CB-CE2 4.3Å; M87-F101 HydrophobicContact CB-CZ 3.47Å; M87-F101 VanDerWaalsContact CB-CZ 3.47Å; M87-F101 HydrophobicContact CE-CE1 4.38Å; I97-F101 HydrophobicContact CG2-CD2 3.69Å; I97-F101 HydrophobicContact CG2-CE2 3.42Å; I97-F101 VanDerWaalsContact CG2-CE2 3.42Å; I97-F101 HydrophobicContact CG2-CZ 4.01Å; I97-F101 WeakPolarHBondContact O-CD2 3.21Å; I97-F101 WeakPolarHBondContact O-CG 3.4Å; I97-F101 PolarHBondContact O-N 3.05Å; R98-F101 PolarHBondContact O-N 3Å; F101-E103 PolarHBondContact O-N 3.48Å; F101-M104 PolarHBondContact O-N 3.19Å; F101-Y105 VanDerWaalsContact O-CB 3.29Å; F101-Y105 WeakPolarHBondContact O-CB 3.4Å; F101-Y105 PolarHBondContact O-N 3.21Å
102T98.1Very high96.8Very high62 Ų6252.3 Ų52.338%0.3825%0.251SS..Hα-helixtrans-58.6-46.1176.9-58.10000111.8R98 N99 F100 Y105 E106R98-T102 PolarHBondContact O-N 3.44Å; R98-T102 PolarHBondContact O-OG1 2.84Å; R98-T102 VanDerWaalsContact O-OG1 3.05Å; N99-T102 PolarHBondContact O-N 3.49Å; F100-T102 PolarHBondContact O-N 3.33Å; T102-Y105 WeakPolarHBondContact O-CB 3.5Å; T102-Y105 PolarHBondContact O-N 3.12Å; T102-E106 PolarHBondContact O-N 3.28Å
103E98.4Very high96.8Very high43 Ų4349.6 Ų49.620%0.20125%0.248CC..Hα-helixtrans-70.1-37.3180-67.5-94.7-159.100112.3N99 F100 F101 Y105 T107 Y135 Y139N99-E103 WeakPolarHBondContact O-CG 3.23Å; N99-E103 PolarHBondContact O-N 3.33Å; F100-E103 PolarHBondContact O-N 3.45Å; F101-E103 PolarHBondContact O-N 3.48Å; E103-Y105 VanDerWaalsContact C-N 3.32Å; E103-T107 WeakPolarHBondContact O-CB 3.43Å; E103-T107 PolarHBondContact O-N 3.48Å; E103-T107 VanDerWaalsContact O-N 3.09Å; E103-T107 PolarHBondContact O-OG1 3.34Å; E103-Y135 HydrophobicContact CB-CD1 3.97Å; E103-Y135 HydrophobicContact CB-CD2 3.89Å; E103-Y135 HydrophobicContact CB-CE1 3.89Å; E103-Y135 HydrophobicContact CB-CE2 3.82Å; E103-Y135 HydrophobicContact CB-CG 3.96Å; E103-Y135 HydrophobicContact CG-CD1 4.17Å; E103-Y135 HydrophobicContact CG-CE1 3.98Å; E103-Y135 WeakPolarHBondContact OE2-CE1 3.46Å; E103-Y135 PolarHBondContact OE2-OH 3.34Å; E103-Y139 HydrophobicContact CB-CE2 4.46Å; E103-Y139 HydrophobicContact CG-CE2 3.82Å; E103-Y139 PolarHBondContact OE1-OH 3.01Å
104M98.6Very high96.6Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-68.6-32.6174.3-74.2-49.5-48.100112.3F11 F85 F100 F101 T107 F108 F128 V132 Y135F11-M104 HydrophobicContact CE1-CE 4.28Å; F11-M104 HydrophobicContact CE1-CG 4.39Å; F11-M104 HydrophobicContact CZ-CB 4.38Å; F11-M104 HydrophobicContact CZ-CG 4.3Å; F85-M104 HydrophobicContact CE2-CB 4.14Å; F100-M104 HydrophobicContact CD1-CG 4.04Å; F100-M104 HydrophobicContact CD2-CG 4.48Å; F100-M104 HydrophobicContact CE1-CB 4.49Å; F100-M104 HydrophobicContact CE1-CG 3.58Å; F100-M104 HydrophobicContact CE2-CG 4.07Å; F100-M104 HydrophobicContact CG-CG 4.47Å; F100-M104 HydrophobicContact CZ-CG 3.6Å; F100-M104 HydrophobicContact CZ-SD 4.31Å; F100-M104 WeakPolarHBondContact O-CB 3.19Å; F100-M104 WeakPolarHBondContact O-CG 3.24Å; F100-M104 PolarHBondContact O-N 2.92Å; F101-M104 PolarHBondContact O-N 3.19Å; M104-T107 HydrophobicContact CE-CG2 4.34Å; M104-T107 PolarHBondContact O-N 2.88Å; M104-F108 VanDerWaalsContact O-CB 3.27Å; M104-F108 WeakPolarHBondContact O-CB 3.32Å; M104-F108 PolarHBondContact O-N 3.47Å; M104-F128 HydrophobicContact CE-CE1 3.82Å; M104-F128 HydrophobicContact CE-CE2 3.74Å; M104-F128 HydrophobicContact CE-CZ 3.31Å; M104-V132 HydrophobicContact CE-CG2 3.34Å; M104-V132 HydrophobicContact SD-CB 4.33Å; M104-V132 HydrophobicContact SD-CG2 3.71Å; M104-Y135 HydrophobicContact SD-CD2 3.9Å
105Y98.2Very high96.4Very high64 Ų6455.4 Ų55.425%0.25129%0.286SS..Hα-helixtrans-62.4-50.9175.2175.2-120.8000110.7F77 L79 F101 T102 E103 T107 F108 I109F77-Y105 HydrophobicContact CE1-CD2 4.12Å; F77-Y105 HydrophobicContact CE1-CG 4Å; F77-Y105 HydrophobicContact CZ-CG 4.46Å; L79-Y105 HydrophobicContact CD1-CD2 4.07Å; L79-Y105 HydrophobicContact CD1-CE2 4.46Å; L79-Y105 HydrophobicContact CD2-CD2 3.65Å; L79-Y105 HydrophobicContact CD2-CE2 3.65Å; L79-Y105 HydrophobicContact CG-CD2 3.63Å; L79-Y105 HydrophobicContact CG-CE2 3.57Å; F101-Y105 VanDerWaalsContact O-CB 3.29Å; F101-Y105 WeakPolarHBondContact O-CB 3.4Å; F101-Y105 PolarHBondContact O-N 3.21Å; T102-Y105 WeakPolarHBondContact O-CB 3.5Å; T102-Y105 PolarHBondContact O-N 3.12Å; E103-Y105 VanDerWaalsContact C-N 3.32Å; Y105-T107 VanDerWaalsContact C-N 3.27Å; Y105-T107 PolarHBondContact O-N 2.87Å; Y105-F108 PolarHBondContact O-N 3.25Å; Y105-I109 HydrophobicContact CD2-CD1 4.48Å; Y105-I109 HydrophobicContact CD2-CG1 4.09Å; Y105-I109 HydrophobicContact CE1-CG1 4.49Å; Y105-I109 HydrophobicContact CE2-CD1 3.74Å; Y105-I109 HydrophobicContact CE2-CG1 3.68Å; Y105-I109 WeakPolarHBondContact O-CG1 3.25Å; Y105-I109 PolarHBondContact O-N 3.03Å
106E97.7Very high96Very high96 Ų9659 Ų5945%0.44930%0.297SS..Hα-helixtrans-58.5-40.9174.7-68.4-171.2-168.300112.7T102 F108 I109 K110T102-E106 PolarHBondContact O-N 3.28Å; E106-F108 VanDerWaalsContact C-N 3.34Å; E106-I109 PolarHBondContact O-N 3.48Å; E106-K110 WeakPolarHBondContact O-CG 3.45Å; E106-K110 PolarHBondContact O-N 3.03Å; E106-K110 VanDerWaalsContact O-N 3.1Å; E106-K110 IonicContact OE2-NZ 3.75Å
107T97.6Very high95.5Very high17 Ų1760.9 Ų60.910%0.10430%0.303CS..Hα-helixtrans-64.9-40.4179.1-58.20000111.2E103 M104 Y105 L111 F128 K131E103-T107 WeakPolarHBondContact O-CB 3.43Å; E103-T107 PolarHBondContact O-N 3.48Å; E103-T107 VanDerWaalsContact O-N 3.09Å; E103-T107 PolarHBondContact O-OG1 3.34Å; M104-T107 HydrophobicContact CE-CG2 4.34Å; M104-T107 PolarHBondContact O-N 2.88Å; Y105-T107 VanDerWaalsContact C-N 3.27Å; Y105-T107 PolarHBondContact O-N 2.87Å; T107-L111 PolarHBondContact O-N 3.17Å; T107-L111 VanDerWaalsContact O-N 3.13Å; T107-F128 HydrophobicContact CG2-CD2 3.73Å; T107-F128 HydrophobicContact CG2-CE2 3.93Å; T107-K131 HydrophobicContact CG2-CB 3.93Å; T107-K131 HydrophobicContact CG2-CG 4.17Å
108F96.9Very high94.9Very high11 Ų1168.9 Ų68.95%0.04833%0.334CS..Hα-helixtrans-69.8-38.7177.9-177.6-94.4000112.6I13 L21 L79 V83 F85 M104 Y105 E106 L111 S112 I123 F128I13-F108 HydrophobicContact CD1-CD2 4.26Å; I13-F108 HydrophobicContact CG2-CE2 4.2Å; L21-F108 HydrophobicContact CD1-CE2 4.44Å; L79-F108 HydrophobicContact CD2-CD1 3.6Å; L79-F108 HydrophobicContact CD2-CE1 3.81Å; V83-F108 HydrophobicContact CB-CE1 4.42Å; V83-F108 HydrophobicContact CB-CZ 4.39Å; V83-F108 HydrophobicContact CG1-CE1 4.15Å; V83-F108 HydrophobicContact CG1-CE2 4.39Å; V83-F108 HydrophobicContact CG1-CZ 3.87Å; V83-F108 HydrophobicContact CG2-CE1 4.28Å; V83-F108 HydrophobicContact CG2-CZ 4.03Å; F85-F108 HydrophobicContact CE1-CB 4.4Å; F85-F108 HydrophobicContact CE1-CD1 4.49Å; F85-F108 HydrophobicContact CE1-CD2 4.25Å; F85-F108 HydrophobicContact CE1-CG 4.12Å; F85-F108 HydrophobicContact CZ-CB 3.71Å; F85-F108 HydrophobicContact CZ-CD1 4.3Å; F85-F108 HydrophobicContact CZ-CD2 4.39Å; F85-F108 AromaticContact CZ-CG 3.88Å; F85-F108 HydrophobicContact CZ-CG 3.88Å; M104-F108 VanDerWaalsContact O-CB 3.27Å; M104-F108 WeakPolarHBondContact O-CB 3.32Å; M104-F108 PolarHBondContact O-N 3.47Å; Y105-F108 PolarHBondContact O-N 3.25Å; E106-F108 VanDerWaalsContact C-N 3.34Å; F108-L111 WeakPolarHBondContact O-CB 3.3Å; F108-L111 PolarHBondContact O-N 3.2Å; F108-S112 WeakPolarHBondContact CE1-OG 3.32Å; F108-S112 WeakPolarHBondContact O-CB 3.31Å; F108-S112 PolarHBondContact O-N 2.79Å; F108-S112 PolarHBondContact O-OG 3.38Å; F108-I123 HydrophobicContact CD2-CD1 4.12Å; F108-I123 HydrophobicContact CE2-CD1 3.97Å; F108-F128 HydrophobicContact CB-CE2 4.35Å; F108-F128 HydrophobicContact CD2-CE2 4.43Å
109I95.7Very high94.3Very high59 Ų5969.3 Ų69.330%0.30335%0.348SS..Hα-helixtrans-62.9-44.1174.6-66.4-61.3000110.8Y105 E106 L111 S112 M113Y105-I109 HydrophobicContact CD2-CD1 4.48Å; Y105-I109 HydrophobicContact CD2-CG1 4.09Å; Y105-I109 HydrophobicContact CE1-CG1 4.49Å; Y105-I109 HydrophobicContact CE2-CD1 3.74Å; Y105-I109 HydrophobicContact CE2-CG1 3.68Å; Y105-I109 WeakPolarHBondContact O-CG1 3.25Å; Y105-I109 PolarHBondContact O-N 3.03Å; E106-I109 PolarHBondContact O-N 3.48Å; I109-L111 VanDerWaalsContact C-N 3.29Å; I109-L111 PolarHBondContact O-N 2.89Å; I109-S112 PolarHBondContact O-N 2.89Å; I109-S112 VanDerWaalsContact O-N 3.08Å; I109-M113 HydrophobicContact CG2-CE 4.04Å; I109-M113 HydrophobicContact CG2-CG 4.41Å; I109-M113 HydrophobicContact CG2-SD 4.25Å; I109-M113 WeakPolarHBondContact O-CG 3.45Å; I109-M113 PolarHBondContact O-N 2.83Å
110K95.4Very high93.8Very high129 Ų12974.1 Ų74.156%0.56136%0.361SS*.Hα-helixtrans-58.9-39.4174.7-72165.2-174.9157.90112.4E106 M113E106-K110 WeakPolarHBondContact O-CG 3.45Å; E106-K110 PolarHBondContact O-N 3.03Å; E106-K110 VanDerWaalsContact O-N 3.1Å; E106-K110 IonicContact OE2-NZ 3.75Å; K110-M113 HydrophobicContact CG-CE 4.41Å
111L94.4Very high93.4Very high21 Ų2178.6 Ų78.611%0.1138%0.382CS..Hα-helixtrans-65.2-43.8173.7-178.969.9000111.4T107 F108 I109 M113 N114 H117 I123 C125 F128T107-L111 PolarHBondContact O-N 3.17Å; T107-L111 VanDerWaalsContact O-N 3.13Å; F108-L111 WeakPolarHBondContact O-CB 3.3Å; F108-L111 PolarHBondContact O-N 3.2Å; I109-L111 VanDerWaalsContact C-N 3.29Å; I109-L111 PolarHBondContact O-N 2.89Å; L111-M113 VanDerWaalsContact C-N 3.31Å; L111-M113 PolarHBondContact O-N 2.82Å; L111-N114 VanDerWaalsContact O-CB 3.29Å; L111-N114 WeakPolarHBondContact O-CB 3.44Å; L111-N114 PolarHBondContact O-N 3.41Å; L111-N114 VanDerWaalsContact O-N 3.15Å; L111-H117 WeakPolarHBondContact O-CB 3.49Å; L111-I123 HydrophobicContact CD2-CB 4.36Å; L111-I123 HydrophobicContact CD2-CD1 3.78Å; L111-I123 HydrophobicContact CD2-CG1 3.88Å; L111-I123 HydrophobicContact CD2-CG2 3.58Å; L111-C125 HydrophobicContact CD1-CB 4.29Å; L111-F128 HydrophobicContact CB-CD2 4.5Å; L111-F128 HydrophobicContact CD2-CD2 3.96Å; L111-F128 HydrophobicContact CD2-CE2 4.25Å
112S92.5Very high93.3Very high55 Ų5582.4 Ų82.439%0.38541%0.406SS..Hα-helixtrans-68-28.9-177.1-58.90000113.3F108 I109 N114F108-S112 WeakPolarHBondContact CE1-OG 3.32Å; F108-S112 WeakPolarHBondContact O-CB 3.31Å; F108-S112 PolarHBondContact O-N 2.79Å; F108-S112 PolarHBondContact O-OG 3.38Å; I109-S112 PolarHBondContact O-N 2.89Å; I109-S112 VanDerWaalsContact O-N 3.08Å; S112-N114 VanDerWaalsContact C-N 3.26Å; S112-N114 PolarHBondContact O-N 2.84Å
113M92.5Very high93.1Very high135 Ų13580.1 Ų80.167%0.66539%0.392SS*.THydrogen-bonded Turntrans-78-8.5175-68.1-173.3-59.200113.5I109 K110 L111 P115I109-M113 HydrophobicContact CG2-CE 4.04Å; I109-M113 HydrophobicContact CG2-CG 4.41Å; I109-M113 HydrophobicContact CG2-SD 4.25Å; I109-M113 WeakPolarHBondContact O-CG 3.45Å; I109-M113 PolarHBondContact O-N 2.83Å; K110-M113 HydrophobicContact CG-CE 4.41Å; L111-M113 VanDerWaalsContact C-N 3.31Å; L111-M113 PolarHBondContact O-N 2.82Å; M113-P115 WeakPolarHBondContact O-CD 3.34Å
114N91.3Very high92.8Very high71 Ų7187.1 Ų87.138%0.3842%0.422SS..  trans-75118.3176.5-175.5-23000109.5L111 S112 F116 H117L111-N114 VanDerWaalsContact O-CB 3.29Å; L111-N114 WeakPolarHBondContact O-CB 3.44Å; L111-N114 PolarHBondContact O-N 3.41Å; L111-N114 VanDerWaalsContact O-N 3.15Å; S112-N114 VanDerWaalsContact C-N 3.26Å; S112-N114 PolarHBondContact O-N 2.84Å; N114-F116 PolarHBondContact O-N 3.14Å; N114-F116 WeakPolarHBondContact OD1-CB 3.21Å; N114-F116 WeakPolarHBondContact OD1-CD2 3.33Å; N114-F116 PolarHBondContact OD1-N 3.48Å; N114-H117 HydrophobicContact CB-CB 4.19Å; N114-H117 VanDerWaalsContact O-CB 3.29Å; N114-H117 WeakPolarHBondContact O-CB 3.34Å; N114-H117 PolarHBondContact O-N 3.12Å
115P90.5Very high92.5Very high118 Ų11889.6 Ų89.677%0.76644%0.438SS*.THydrogen-bonded Turntrans-63.8-15.9-177.925.4-33.9000113.9M113M113-P115 WeakPolarHBondContact O-CD 3.34Å
116F88.9Confident92.4Very high184 Ų18490.2 Ų90.281%0.80745%0.452SS*.THydrogen-bonded Turntrans-91.1-5.4174.8-55.3-68.9000113.3N114N114-F116 PolarHBondContact O-N 3.14Å; N114-F116 WeakPolarHBondContact OD1-CB 3.21Å; N114-F116 WeakPolarHBondContact OD1-CD2 3.33Å; N114-F116 PolarHBondContact OD1-N 3.48Å
117H87Confident92.3Very high45 Ų4590.8 Ų90.821%0.20846%0.458CS..PPolyproline II helixtrans-77.1124.1172-177.161.3000109.6L111 N114 P119L111-H117 WeakPolarHBondContact O-CB 3.49Å; N114-H117 HydrophobicContact CB-CB 4.19Å; N114-H117 VanDerWaalsContact O-CB 3.29Å; N114-H117 WeakPolarHBondContact O-CB 3.34Å; N114-H117 PolarHBondContact O-N 3.12Å; H117-P119 WeakPolarHBondContact O-CD 3.16Å
118R86.3Confident92.2Very high172 Ų17290.2 Ų90.265%0.64945%0.454SS*.PPolyproline II helixtrans-90.3118.9176.1-68.1-177.3179.6169.6-1.1109.3Q121R118-Q121 HydrophobicContact CB-CG 4Å
119P84.3Confident92.2Very high100 Ų10091.3 Ų91.365%0.64947%0.465SS*.THydrogen-bonded Turntrans-58.1152.7174.5-22.733.3000111.7H117 Q121H117-P119 WeakPolarHBondContact O-CD 3.16Å; P119-Q121 PolarHBondContact O-N 3.09Å
120R87.2Confident92.4Very high174 Ų17495.3 Ų95.366%0.65748%0.48SS*.THydrogen-bonded Turntrans63.815.9177.7-49.3-178.7-71.7177.5-3.5115.4D15D15-R120 WeakPolarHBondContact OD2-CG 3.29Å
121Q91.5Very high92.5Very high95 Ų9593.1 Ų93.144%0.44447%0.471SS..SBendtrans-107148.2172.3-62.7-162.7-16.700110.6R118 P119 I123R118-Q121 HydrophobicContact CB-CG 4Å; P119-Q121 PolarHBondContact O-N 3.09Å; Q121-I123 PolarHBondContact O-N 3.25Å
122P95.4Very high92.7Very high80 Ų8092.1 Ų92.152%0.51947%0.465SS..  trans-53.1134.6172.4-27.435.1000111.9L21 K124L21-P122 CarbonylContact O-C 3.49Å; L21-P122 VanDerWaalsContact O-CA 3.26Å; L21-P122 WeakPolarHBondContact O-CA 3.36Å; P122-K124 PolarHBondContact O-N 3.12Å; P122-K124 VanDerWaalsContact O-N 3.13Å
123I95.2Very high92.9Very high14 Ų1493.2 Ų93.27%0.07246%0.464CS..  trans-75.8103.2-179.4-57.9171.3000108.5I13 L21 F22 F108 L111 Q121 C125 F128I13-I123 HydrophobicContact CD1-CD1 4.26Å; L21-I123 HydrophobicContact CB-CD1 4.3Å; L21-I123 HydrophobicContact CB-CG1 4.32Å; L21-I123 PolarHBondContact O-N 3.26Å; F22-I123 HydrophobicContact CB-CB 4.34Å; F22-I123 HydrophobicContact CB-CD1 4.2Å; F22-I123 HydrophobicContact CD2-CB 4.23Å; F108-I123 HydrophobicContact CD2-CD1 4.12Å; F108-I123 HydrophobicContact CE2-CD1 3.97Å; L111-I123 HydrophobicContact CD2-CB 4.36Å; L111-I123 HydrophobicContact CD2-CD1 3.78Å; L111-I123 HydrophobicContact CD2-CG1 3.88Å; L111-I123 HydrophobicContact CD2-CG2 3.58Å; Q121-I123 PolarHBondContact O-N 3.25Å; I123-C125 HydrophobicContact CG2-CB 4.36Å; I123-F128 HydrophobicContact CD1-CE1 4.14Å; I123-F128 HydrophobicContact CD1-CE2 4.46Å; I123-F128 HydrophobicContact CD1-CZ 4.05Å; I123-F128 HydrophobicContact CG2-CB 4.01Å; I123-F128 HydrophobicContact CG2-CD1 3.66Å; I123-F128 HydrophobicContact CG2-CD2 4.32Å; I123-F128 HydrophobicContact CG2-CE1 4.21Å; I123-F128 HydrophobicContact CG2-CG 3.73Å
124K92.4Very high93.1Very high190 Ų19091.3 Ų91.383%0.82646%0.456SS*.  trans-98.94.5179.3-61.4-179.7-177-176.60113.8P122 S126P122-K124 PolarHBondContact O-N 3.12Å; P122-K124 VanDerWaalsContact O-N 3.13Å; K124-S126 PolarHBondContact O-N 3.03Å
125C92.3Very high93.4Very high52 Ų5289 Ų8935%0.35144%0.442SS..  trans-69.3121.1-175.4-1790000111.4L111 I123 N127 F128 A129L111-C125 HydrophobicContact CD1-CB 4.29Å; I123-C125 HydrophobicContact CG2-CB 4.36Å; C125-N127 VanDerWaalsContact C-N 3.33Å; C125-N127 PolarHBondContact O-N 3.22Å; C125-F128 HydrophobicContact CB-CB 3.98Å; C125-F128 WeakPolarHBondContact O-CB 3.31Å; C125-F128 PolarHBondContact O-N 3.05Å; C125-F128 VanDerWaalsContact O-N 3.17Å; C125-A129 PolarHBondContact O-N 3.41Å; C125-A129 VanDerWaalsContact O-N 3.16Å
126S94.8Very high93.8Very high77 Ų7783.4 Ų83.454%0.53841%0.406SS..Hα-helixtrans-63.3-36.3-179610000113.2K124 F128 A129 K130K124-S126 PolarHBondContact O-N 3.03Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 3.38Å; S126-A129 PolarHBondContact O-N 3.49Å; S126-K130 WeakPolarHBondContact O-CG 3.26Å; S126-K130 PolarHBondContact O-N 2.95Å
127N95.3Very high94Very high107 Ų10783.4 Ų83.457%0.57240%0.401SS*.Hα-helixtrans-66-35.5176.6-72.1-21.2000112C125 K130 K131C125-N127 VanDerWaalsContact C-N 3.33Å; C125-N127 PolarHBondContact O-N 3.22Å; N127-K130 PolarHBondContact O-N 3.01Å; N127-K131 WeakPolarHBondContact O-CG 3.41Å; N127-K131 PolarHBondContact O-N 2.87Å
128F97Very high94.5Very high6 Ų687.2 Ų87.23%0.02642%0.417CS..Hα-helixtrans-64-50174.3-172.4-88.1000110.6I13 F22 M104 T107 F108 L111 I123 C125 S126 K130 K131 V132I13-F128 HydrophobicContact CD1-CE1 4.02Å; I13-F128 HydrophobicContact CD1-CZ 3.57Å; F22-F128 HydrophobicContact CD1-CE1 4.15Å; F22-F128 HydrophobicContact CD2-CD1 4.15Å; F22-F128 HydrophobicContact CD2-CE1 4.11Å; F22-F128 HydrophobicContact CE1-CE1 4.41Å; F22-F128 HydrophobicContact CE2-CD1 4.14Å; F22-F128 HydrophobicContact CE2-CE1 4.36Å; F22-F128 HydrophobicContact CG-CE1 4.01Å; F22-F128 HydrophobicContact CZ-CD1 4.5Å; M104-F128 HydrophobicContact CE-CE1 3.82Å; M104-F128 HydrophobicContact CE-CE2 3.74Å; M104-F128 HydrophobicContact CE-CZ 3.31Å; T107-F128 HydrophobicContact CG2-CD2 3.73Å; T107-F128 HydrophobicContact CG2-CE2 3.93Å; F108-F128 HydrophobicContact CB-CE2 4.35Å; F108-F128 HydrophobicContact CD2-CE2 4.43Å; L111-F128 HydrophobicContact CB-CD2 4.5Å; L111-F128 HydrophobicContact CD2-CD2 3.96Å; L111-F128 HydrophobicContact CD2-CE2 4.25Å; I123-F128 HydrophobicContact CD1-CE1 4.14Å; I123-F128 HydrophobicContact CD1-CE2 4.46Å; I123-F128 HydrophobicContact CD1-CZ 4.05Å; I123-F128 HydrophobicContact CG2-CB 4.01Å; I123-F128 HydrophobicContact CG2-CD1 3.66Å; I123-F128 HydrophobicContact CG2-CD2 4.32Å; I123-F128 HydrophobicContact CG2-CE1 4.21Å; I123-F128 HydrophobicContact CG2-CG 3.73Å; C125-F128 HydrophobicContact CB-CB 3.98Å; C125-F128 WeakPolarHBondContact O-CB 3.31Å; C125-F128 PolarHBondContact O-N 3.05Å; C125-F128 VanDerWaalsContact O-N 3.17Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 3.38Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.2Å; F128-K131 WeakPolarHBondContact O-CB 3.38Å; F128-K131 PolarHBondContact O-N 3.27Å; F128-K131 VanDerWaalsContact O-N 3.08Å; F128-V132 HydrophobicContact CD1-CG2 3.92Å; F128-V132 HydrophobicContact CE1-CG2 3.66Å; F128-V132 HydrophobicContact CZ-CG2 4.38Å; F128-V132 WeakPolarHBondContact O-CG2 3.32Å; F128-V132 PolarHBondContact O-N 3.34Å
129A97.4Very high95Very high33 Ų3380.8 Ų80.827%0.27339%0.393SS..Hα-helixtrans-59.1-40.3177.200000112.7F22 C125 S126 K131 V132 Q133F22-A129 HydrophobicContact CE2-CB 4.44Å; C125-A129 PolarHBondContact O-N 3.41Å; C125-A129 VanDerWaalsContact O-N 3.16Å; S126-A129 PolarHBondContact O-N 3.49Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 2.86Å; A129-V132 PolarHBondContact O-N 2.97Å; A129-Q133 PolarHBondContact O-N 3.44Å
130K97.9Very high95.5Very high144 Ų14476.1 Ų76.163%0.62636%0.363SS*.Hα-helixtrans-60.9-40.9174.1-74.6174.6-178.2177.80112.3S126 N127 F128 Q133 L134S126-K130 WeakPolarHBondContact O-CG 3.26Å; S126-K130 PolarHBondContact O-N 2.95Å; N127-K130 PolarHBondContact O-N 3.01Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.2Å; K130-Q133 PolarHBondContact O-N 3.3Å; K130-L134 WeakPolarHBondContact O-CB 3.23Å; K130-L134 PolarHBondContact O-N 2.76Å
131K98.2Very high95.2Very high82 Ų8272.2 Ų72.236%0.35736%0.358SS..Hα-helixtrans-65.9-44176.1-77.6-70.4-167.4168.10111.8T107 N127 F128 A129 Q133 L134 Y135T107-K131 HydrophobicContact CG2-CB 3.93Å; T107-K131 HydrophobicContact CG2-CG 4.17Å; N127-K131 WeakPolarHBondContact O-CG 3.41Å; N127-K131 PolarHBondContact O-N 2.87Å; F128-K131 WeakPolarHBondContact O-CB 3.38Å; F128-K131 PolarHBondContact O-N 3.27Å; F128-K131 VanDerWaalsContact O-N 3.08Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 2.86Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; K131-Q133 PolarHBondContact O-N 3.07Å; K131-L134 HydrophobicContact CD-CD2 4.34Å; K131-L134 PolarHBondContact O-N 3.34Å; K131-Y135 HydrophobicContact CB-CD2 4.32Å; K131-Y135 HydrophobicContact CB-CE2 4.08Å; K131-Y135 HydrophobicContact CD-CE2 3.74Å; K131-Y135 HydrophobicContact CG-CE2 4.47Å; K131-Y135 PolarHBondContact NZ-OH 2.85Å; K131-Y135 WeakPolarHBondContact O-CD2 3.4Å; K131-Y135 PolarHBondContact O-N 2.94Å
132V98.1Very high93.8Very high0 Ų071.3 Ų71.30%036%0.362CS..Hα-helixtrans-55-49.2173.1172.50000110.8F11 F22 Q24 F26 F100 M104 F128 A129 Y135 G136F11-V132 HydrophobicContact CD1-CG1 4.16Å; F11-V132 HydrophobicContact CE1-CG2 4.31Å; F22-V132 HydrophobicContact CE1-CB 4.29Å; F22-V132 HydrophobicContact CE1-CG1 3.91Å; F22-V132 HydrophobicContact CE1-CG2 3.79Å; F22-V132 HydrophobicContact CZ-CB 4.3Å; F22-V132 HydrophobicContact CZ-CG1 4.25Å; F22-V132 HydrophobicContact CZ-CG2 3.96Å; Q24-V132 HydrophobicContact CB-CG1 3.83Å; Q24-V132 HydrophobicContact CG-CG1 3.83Å; F26-V132 HydrophobicContact CE2-CG1 4.43Å; F26-V132 HydrophobicContact CZ-CG1 3.69Å; F100-V132 HydrophobicContact CZ-CG1 4.39Å; M104-V132 HydrophobicContact CE-CG2 3.34Å; M104-V132 HydrophobicContact SD-CB 4.33Å; M104-V132 HydrophobicContact SD-CG2 3.71Å; F128-V132 HydrophobicContact CD1-CG2 3.92Å; F128-V132 HydrophobicContact CE1-CG2 3.66Å; F128-V132 HydrophobicContact CZ-CG2 4.38Å; F128-V132 WeakPolarHBondContact O-CG2 3.32Å; F128-V132 PolarHBondContact O-N 3.34Å; A129-V132 PolarHBondContact O-N 2.97Å; V132-Y135 PolarHBondContact O-N 3.32Å; V132-G136 PolarHBondContact O-N 2.91Å
133Q96.9Very high93.7Very high78 Ų7870.9 Ų70.936%0.36435%0.354SS..Hα-helixtrans-64.5-41.8178.3-71.9-142.1-1.800113.1A129 K130 K131 G136 R137A129-Q133 PolarHBondContact O-N 3.44Å; K130-Q133 PolarHBondContact O-N 3.3Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; K131-Q133 PolarHBondContact O-N 3.07Å; Q133-G136 PolarHBondContact O-N 2.87Å; Q133-R137 WeakPolarHBondContact O-CG 3.5Å; Q133-R137 PolarHBondContact O-N 3Å
134L97.4Very high93.6Very high95 Ų9573.9 Ų73.950%0.49737%0.369SS..Hα-helixtrans-58.5-50.7177.1176.266.7000111.3K130 K131 R137 K138K130-L134 WeakPolarHBondContact O-CB 3.23Å; K130-L134 PolarHBondContact O-N 2.76Å; K131-L134 HydrophobicContact CD-CD2 4.34Å; K131-L134 PolarHBondContact O-N 3.34Å; L134-R137 PolarHBondContact O-N 2.9Å; L134-K138 WeakPolarHBondContact O-CB 3.48Å; L134-K138 PolarHBondContact O-N 2.95Å; L134-K138 VanDerWaalsContact O-N 3.12Å
135Y98.3Very high93.7Very high22 Ų2267.4 Ų67.49%0.08634%0.343CS..Hα-helixtrans-73.3-32.4-178.2-63.3-50.4000112.5E103 M104 K131 V132 K138 Y139E103-Y135 HydrophobicContact CB-CD1 3.97Å; E103-Y135 HydrophobicContact CB-CD2 3.89Å; E103-Y135 HydrophobicContact CB-CE1 3.89Å; E103-Y135 HydrophobicContact CB-CE2 3.82Å; E103-Y135 HydrophobicContact CB-CG 3.96Å; E103-Y135 HydrophobicContact CG-CD1 4.17Å; E103-Y135 HydrophobicContact CG-CE1 3.98Å; E103-Y135 WeakPolarHBondContact OE2-CE1 3.46Å; E103-Y135 PolarHBondContact OE2-OH 3.34Å; M104-Y135 HydrophobicContact SD-CD2 3.9Å; K131-Y135 HydrophobicContact CB-CD2 4.32Å; K131-Y135 HydrophobicContact CB-CE2 4.08Å; K131-Y135 HydrophobicContact CD-CE2 3.74Å; K131-Y135 HydrophobicContact CG-CE2 4.47Å; K131-Y135 PolarHBondContact NZ-OH 2.85Å; K131-Y135 WeakPolarHBondContact O-CD2 3.4Å; K131-Y135 PolarHBondContact O-N 2.94Å; V132-Y135 PolarHBondContact O-N 3.32Å; Y135-K138 PolarHBondContact O-N 3.01Å; Y135-Y139 HydrophobicContact CD1-CD2 4.48Å; Y135-Y139 AromaticContact CD1-CE2 3.82Å; Y135-Y139 HydrophobicContact CD1-CE2 3.82Å; Y135-Y139 HydrophobicContact CG-CE2 4.38Å; Y135-Y139 VanDerWaalsContact O-CD2 3.31Å; Y135-Y139 WeakPolarHBondContact O-CD2 3.4Å; Y135-Y139 PolarHBondContact O-N 3.24Å
136G97.1Very high93.8Very high1 Ų168.4 Ų68.41%0.0134%0.343CS..Hα-helixtrans-61.6-46.417300000111.7V132 Q133 K138 L140V132-G136 PolarHBondContact O-N 2.91Å; Q133-G136 PolarHBondContact O-N 2.87Å; G136-K138 VanDerWaalsContact C-N 3.26Å; G136-K138 PolarHBondContact O-N 3.11Å; G136-L140 CarbonylContact O-C 3.48Å; G136-L140 VanDerWaalsContact O-CA 3.3Å; G136-L140 WeakPolarHBondContact O-CA 3.37Å; G136-L140 VanDerWaalsContact O-CB 3.25Å; G136-L140 WeakPolarHBondContact O-CB 3.36Å; G136-L140 PolarHBondContact O-N 3.01Å
137R94.8Very high93.7Very high185 Ų18567.8 Ų67.870%0.69833%0.331SS*.Hα-helixtrans-63.2-31.7173.9-69.3176.6-171.3-1764.1113.2Q133 L134Q133-R137 WeakPolarHBondContact O-CG 3.5Å; Q133-R137 PolarHBondContact O-N 3Å; L134-R137 PolarHBondContact O-N 2.9Å
138K96.8Very high93.6Very high124 Ų12465.2 Ų65.254%0.53931%0.314SS..Hα-helixtrans-76.9-39.4-177.6-172.9179.1176.9-164.90112.9L134 Y135 G136L134-K138 WeakPolarHBondContact O-CB 3.48Å; L134-K138 PolarHBondContact O-N 2.95Å; L134-K138 VanDerWaalsContact O-N 3.12Å; Y135-K138 PolarHBondContact O-N 3.01Å; G136-K138 VanDerWaalsContact C-N 3.26Å; G136-K138 PolarHBondContact O-N 3.11Å
139Y97.5Very high93.4Very high37 Ų3769.4 Ų69.415%0.14534%0.335CS..Hα-helixtrans-118.8-20.9-168.7-58-61.7000114.6N93 G96 N99 F100 E103 Y135N93-Y139 PolarHBondContact ND2-O 3.41Å; G96-Y139 WeakPolarHBondContact CA-O 3.09Å; G96-Y139 WeakPolarHBondContact O-CB 3.3Å; N99-Y139 HydrophobicContact CB-CD1 3.62Å; N99-Y139 HydrophobicContact CB-CD2 4.41Å; N99-Y139 HydrophobicContact CB-CE1 3.62Å; N99-Y139 HydrophobicContact CB-CE2 4.41Å; N99-Y139 HydrophobicContact CB-CG 4.03Å; F100-Y139 HydrophobicContact CB-CD2 4.16Å; E103-Y139 HydrophobicContact CB-CE2 4.46Å; E103-Y139 HydrophobicContact CG-CE2 3.82Å; E103-Y139 PolarHBondContact OE1-OH 3.01Å; Y135-Y139 HydrophobicContact CD1-CD2 4.48Å; Y135-Y139 AromaticContact CD1-CE2 3.82Å; Y135-Y139 HydrophobicContact CD1-CE2 3.82Å; Y135-Y139 HydrophobicContact CG-CE2 4.38Å; Y135-Y139 VanDerWaalsContact O-CD2 3.31Å; Y135-Y139 WeakPolarHBondContact O-CD2 3.4Å; Y135-Y139 PolarHBondContact O-N 3.24Å
140L95Very high93.1Very high3 Ų372.2 Ų72.22%0.01634%0.34CS..SBendtrans-110.539.5-175.9-48.5179000110.9Y9 F26 M87 I97 F100 G136 C142Y9-L140 HydrophobicContact CD1-CB 4.29Å; Y9-L140 HydrophobicContact CD1-CD1 4.44Å; Y9-L140 HydrophobicContact CD1-CD2 3.97Å; Y9-L140 HydrophobicContact CD1-CG 4.46Å; Y9-L140 HydrophobicContact CD2-CB 3.85Å; Y9-L140 HydrophobicContact CE1-CB 4.4Å; Y9-L140 HydrophobicContact CE1-CD2 3.99Å; Y9-L140 HydrophobicContact CE2-CB 3.97Å; Y9-L140 WeakPolarHBondContact CE2-O 3.4Å; Y9-L140 HydrophobicContact CG-CB 4.02Å; Y9-L140 HydrophobicContact CG-CD1 4.28Å; Y9-L140 HydrophobicContact CG-CD2 4.48Å; Y9-L140 HydrophobicContact CG-CG 4.49Å; F26-L140 HydrophobicContact CD2-CD1 3.83Å; F26-L140 HydrophobicContact CE2-CD1 3.84Å; F26-L140 HydrophobicContact CG-CD1 4.42Å; F26-L140 HydrophobicContact CZ-CD1 4.46Å; M87-L140 HydrophobicContact CE-CD1 3.55Å; M87-L140 HydrophobicContact CE-CD2 4.31Å; M87-L140 HydrophobicContact SD-CD1 4.23Å; I97-L140 HydrophobicContact CG1-CD2 4.08Å; F100-L140 HydrophobicContact CB-CD2 4.19Å; F100-L140 HydrophobicContact CB-CG 4.47Å; F100-L140 HydrophobicContact CD1-CD1 4.43Å; F100-L140 HydrophobicContact CD2-CD1 3.81Å; F100-L140 HydrophobicContact CD2-CG 4.06Å; F100-L140 HydrophobicContact CE2-CD1 3.94Å; F100-L140 HydrophobicContact CG-CD1 4.07Å; F100-L140 HydrophobicContact CG-CD2 4.38Å; F100-L140 HydrophobicContact CG-CG 4.28Å; F100-L140 HydrophobicContact CZ-CD1 4.32Å; G136-L140 CarbonylContact O-C 3.48Å; G136-L140 VanDerWaalsContact O-CA 3.3Å; G136-L140 WeakPolarHBondContact O-CA 3.37Å; G136-L140 VanDerWaalsContact O-CB 3.25Å; G136-L140 WeakPolarHBondContact O-CB 3.36Å; G136-L140 PolarHBondContact O-N 3.01Å; L140-C142 PolarHBondContact O-N 3.07Å
141T79.4Confident92.7Very high91 Ų9166.3 Ų66.356%0.55832%0.316SS*.  trans-55113.4-175.8-400000110.5
142C62.5Low92.2Very high77 Ų7764.8 Ų64.852%0.5231%0.312SS..  trans-77.30168.5-58.80000108.9K7 L140K7-C142 HydrophobicContact CB-CB 4.27Å; K7-C142 PolarHBondContact O-SG 2.89Å; L140-C142 PolarHBondContact O-N 3.07Å

Retrieved 142 of 142 residues in 31.3 ms (Link to these results)

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