A0A077Z2R1_TRITR Loading...

Alpha:beta hydrolase fold protein

AlphaFold DB , UniProt , Accession A0A077Z2R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 349 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
1M45.6Very low83.3Confident220 Ų220100.4 Ų100.4100%1.08449%0.49SS*.  0124.20-75.8168.8171.200108.1
2K52.5Low84.5Confident184 Ų18498.3 Ų98.380%0.848%0.482SS*.  trans-82.2111.5-179.6-68.8174.7179176.90107.5L4 K22K2-L4 PolarHBondContact O-N 3.27Å; K2-K22 HydrophobicContact CB-CD 4.47Å
3F59.9Low85.6Confident173 Ų17394.2 Ų94.276%0.75948%0.481SS*.PPolyproline II helixtrans-69.4128.8-172-60.3-76.7000112.2
4L78.8Confident86.5Confident36 Ų3687.4 Ų87.419%0.18845%0.447CS..PPolyproline II helixtrans-87.4144.9162.8-62.4163.4000107.3K2 P21 R51 A55K2-L4 PolarHBondContact O-N 3.27Å; L4-P21 HydrophobicContact CD2-CB 4.16Å; L4-R51 HydrophobicContact CD1-CB 4.47Å; L4-R51 HydrophobicContact CD1-CG 3.28Å; L4-A55 HydrophobicContact CD1-CB 4.38Å
5Q92.1Very high87.3Confident118 Ų11885.4 Ų85.455%0.55144%0.442SS*.EExtended strand (participates in β ladder)trans-83.7131.2168.4179.9171.5-8.600108.3T7 E20Q5-T7 HydrophobicContact CG-CG2 4.19Å; Q5-E20 HydrophobicContact CB-CB 4.31Å; Q5-E20 PolarHBondContact N-O 3Å; Q5-E20 PolarHBondContact O-N 2.8Å
6T96.1Very high88Confident48 Ų4880.3 Ų80.329%0.29442%0.415SS..EExtended strand (participates in β ladder)trans-120.9127.2176.1-60.80000108R17 V18 Y19 R51T6-R17 VanDerWaalsContact CG2-CD 3.5Å; T6-R17 HydrophobicContact CG2-CG 3.56Å; T6-V18 VanDerWaalsContact CA-O 3.29Å; T6-V18 WeakPolarHBondContact CA-O 3.46Å; T6-Y19 HydrophobicContact CG2-CD1 4.15Å; T6-Y19 HydrophobicContact CG2-CE1 3.97Å; T6-R51 PolarHBondContact OG1-NH1 3.33Å; T6-R51 PolarHBondContact OG1-NH2 3.27Å
7T97.3Very high88.7Confident39 Ų3977.3 Ų77.324%0.23940%0.397CS..EExtended strand (participates in β ladder)trans-135135.8179.846.50000110Q5 V18Q5-T7 HydrophobicContact CG-CG2 4.19Å; T7-V18 PolarHBondContact N-O 2.98Å; T7-V18 PolarHBondContact O-N 2.7Å
8D98.4Very high89.2Confident101 Ų10173 Ų7354%0.5438%0.375SS..EExtended strand (participates in β ladder)trans-95.3126.4172.4-67.7-18.1000108.4V16 R17D8-V16 WeakPolarHBondContact CA-O 3.49Å; D8-R17 VanDerWaalsContact OD1-CB 3.25Å; D8-R17 WeakPolarHBondContact OD1-CB 3.45Å; D8-R17 WeakPolarHBondContact OD1-CG 3.26Å; D8-R17 IonicContact OD1-CZ 3.27Å; D8-R17 IonicContact OD1-NE 3.57Å; D8-R17 PolarHBondContact OD1-NE 2.87Å; D8-R17 IonicContact OD1-NH2 2.7Å; D8-R17 IonicContact OD2-CZ 3.69Å; D8-R17 IonicContact OD2-NE 3.65Å; D8-R17 IonicContact OD2-NH2 3Å; D8-R17 PolarHBondContact OD2-NH2 3Å
9V98.2Very high89.7Confident49 Ų4969.2 Ų69.230%0.29736%0.355SS..EExtended strand (participates in β ladder)trans-139.9177.3-178.8-58.30000109.9F11 V16 V18 F96V9-F11 HydrophobicContact CG2-CD1 4.21Å; V9-F11 HydrophobicContact CG2-CE1 3.78Å; V9-V16 HydrophobicContact CG2-CG2 3.49Å; V9-V16 VanDerWaalsContact CG2-CG2 3.49Å; V9-V16 PolarHBondContact N-O 2.97Å; V9-V16 PolarHBondContact O-N 3.2Å; V9-V16 VanDerWaalsContact O-O 3.09Å; V9-V18 HydrophobicContact CG2-CG2 3.83Å; V9-F96 HydrophobicContact CG2-CZ 4.21Å
10E98.5Very high90Very high132 Ų13267.9 Ų67.962%0.61735%0.348SS*.EExtended strand (participates in β ladder)trans-118.7131.3175.1-68-176.1179.800111.9V14E10-V14 CarbonylContact C-O 3.58Å; E10-V14 WeakPolarHBondContact CA-O 3.29Å
11F98.6Very high90.2Very high4 Ų465.2 Ų65.22%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-104.5101.7170.8-74.5-0.1000109.3V9 G13 V14 V16 V18 V62 A84 H87 F88 F96V9-F11 HydrophobicContact CG2-CD1 4.21Å; V9-F11 HydrophobicContact CG2-CE1 3.78Å; F11-G13 VanDerWaalsContact C-N 3.3Å; F11-G13 PolarHBondContact O-N 3.36Å; F11-V14 PolarHBondContact N-O 3.27Å; F11-V14 WeakPolarHBondContact O-CB 3.32Å; F11-V14 PolarHBondContact O-N 3.45Å; F11-V14 VanDerWaalsContact O-N 3.07Å; F11-V16 HydrophobicContact CB-CG1 4.26Å; F11-V16 HydrophobicContact CD1-CG2 3.97Å; F11-V16 HydrophobicContact CD2-CG1 4.13Å; F11-V16 HydrophobicContact CD2-CG2 4.04Å; F11-V16 HydrophobicContact CE1-CG2 4.05Å; F11-V16 HydrophobicContact CE2-CG2 4.12Å; F11-V16 HydrophobicContact CG-CG1 4.24Å; F11-V16 HydrophobicContact CG-CG2 3.95Å; F11-V16 HydrophobicContact CZ-CG2 4.11Å; F11-V18 HydrophobicContact CZ-CG2 4.5Å; F11-V62 HydrophobicContact CD2-CG1 4.26Å; F11-V62 HydrophobicContact CE2-CB 4.47Å; F11-V62 HydrophobicContact CE2-CG1 3.66Å; F11-V62 HydrophobicContact CE2-CG2 4.11Å; F11-V62 HydrophobicContact CZ-CG1 4.32Å; F11-V62 HydrophobicContact CZ-CG2 4.37Å; F11-A84 HydrophobicContact CB-CB 4.37Å; F11-H87 HydrophobicContact CB-CB 3.99Å; F11-H87 AromaticContact CD1-CD2 3.63Å; F11-H87 AromaticContact CD1-NE2 3.78Å; F11-H87 AromaticContact CG-CD2 3.58Å; F11-F88 HydrophobicContact CD2-CB 4.15Å; F11-F88 HydrophobicContact CD2-CD2 4.43Å; F11-F88 HydrophobicContact CE2-CB 3.96Å; F11-F88 AromaticContact CE2-CD2 3.45Å; F11-F88 HydrophobicContact CE2-CD2 3.45Å; F11-F88 VanDerWaalsContact CE2-CD2 3.45Å; F11-F88 HydrophobicContact CE2-CE2 4.39Å; F11-F88 HydrophobicContact CE2-CG 4.14Å; F11-F88 AromaticContact CZ-CD2 3.76Å; F11-F88 HydrophobicContact CZ-CD2 3.76Å; F11-F88 HydrophobicContact CZ-CE2 4.41Å; F11-F96 AromaticContact CE1-CE2 3.92Å; F11-F96 HydrophobicContact CE1-CE2 3.92Å; F11-F96 AromaticContact CZ-CE2 3.86Å; F11-F96 HydrophobicContact CZ-CE2 3.86Å
12D98.1Very high92.2Very high75 Ų7562.4 Ų62.440%0.40132%0.317SS..THydrogen-bonded Turntrans54.246.8-176.4-17152.8000111.4V14 R83 H87D12-V14 PolarHBondContact O-N 3.47Å; D12-R83 PolarHBondContact O-NE 3.14Å; D12-R83 PolarHBondContact O-NH2 3.45Å; D12-R83 IonicContact OD2-CZ 3.56Å; D12-R83 IonicContact OD2-NE 3.54Å; D12-R83 PolarHBondContact OD2-NE 3.28Å; D12-R83 IonicContact OD2-NH2 2.89Å; D12-H87 HydrophobicContact CB-CB 3.97Å; D12-H87 PolarHBondContact N-CE1 3.25Å; D12-H87 PolarHBondContact N-ND1 3.15Å
13G98.3Very high93.9Very high45 Ų4560.3 Ų60.346%0.46431%0.31SS..THydrogen-bonded Turntrans73.94.7-17900000115.4F11F11-G13 VanDerWaalsContact C-N 3.3Å; F11-G13 PolarHBondContact O-N 3.36Å
14V98.8Very high95.5Very high0 Ų055.8 Ų55.80%029%0.288CS..EExtended strand (participates in β ladder)trans-95120.1170.3-1770000108.6E10 F11 D12 V16 V64 D80 R83 A84E10-V14 CarbonylContact C-O 3.58Å; E10-V14 WeakPolarHBondContact CA-O 3.29Å; F11-V14 PolarHBondContact N-O 3.27Å; F11-V14 WeakPolarHBondContact O-CB 3.32Å; F11-V14 PolarHBondContact O-N 3.45Å; F11-V14 VanDerWaalsContact O-N 3.07Å; D12-V14 PolarHBondContact O-N 3.47Å; V14-V16 PolarHBondContact O-N 2.79Å; V14-V64 HydrophobicContact CG1-CG1 3.75Å; V14-D80 HydrophobicContact CG1-CB 3.96Å; V14-D80 HydrophobicContact CG2-CB 4Å; V14-R83 HydrophobicContact CG2-CB 3.92Å; V14-A84 HydrophobicContact CB-CB 4.44Å; V14-A84 HydrophobicContact CG1-CB 4.31Å
15P98.8Very high96.3Very high57 Ų5758.2 Ų58.237%0.3730%0.3SS..EExtended strand (participates in β ladder)trans-64.7135.2176.7-17.630.3000110.9N65P15-N65 HydrophobicContact CB-CB 4.19Å; P15-N65 WeakPolarHBondContact O-CA 3.27Å; P15-N65 VanDerWaalsContact O-CB 3.23Å; P15-N65 WeakPolarHBondContact O-CB 3.22Å; P15-N65 PolarHBondContact O-N 2.75Å
16V98.8Very high96.4Very high3 Ų353 Ų532%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-138.1147.7176.9-54.70000110.2D8 V9 F11 V14 V18 V62 S63 V64 A84D8-V16 WeakPolarHBondContact CA-O 3.49Å; V9-V16 HydrophobicContact CG2-CG2 3.49Å; V9-V16 VanDerWaalsContact CG2-CG2 3.49Å; V9-V16 PolarHBondContact N-O 2.97Å; V9-V16 PolarHBondContact O-N 3.2Å; V9-V16 VanDerWaalsContact O-O 3.09Å; F11-V16 HydrophobicContact CB-CG1 4.26Å; F11-V16 HydrophobicContact CD1-CG2 3.97Å; F11-V16 HydrophobicContact CD2-CG1 4.13Å; F11-V16 HydrophobicContact CD2-CG2 4.04Å; F11-V16 HydrophobicContact CE1-CG2 4.05Å; F11-V16 HydrophobicContact CE2-CG2 4.12Å; F11-V16 HydrophobicContact CG-CG1 4.24Å; F11-V16 HydrophobicContact CG-CG2 3.95Å; F11-V16 HydrophobicContact CZ-CG2 4.11Å; V14-V16 PolarHBondContact O-N 2.79Å; V16-V18 HydrophobicContact CG2-CG2 4.15Å; V16-V62 HydrophobicContact CB-CG1 3.74Å; V16-V62 HydrophobicContact CG1-CG1 4.11Å; V16-V62 HydrophobicContact CG2-CG1 3.91Å; V16-S63 WeakPolarHBondContact CA-O 3.39Å; V16-V64 HydrophobicContact CG1-CB 4.43Å; V16-V64 HydrophobicContact CG1-CG1 4.36Å; V16-V64 HydrophobicContact CG1-CG2 4.13Å; V16-A84 HydrophobicContact CG1-CB 4.4Å
17R98.7Very high96.5Very high30 Ų3053.7 Ų53.711%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-104124.3169.4179.8165.1-75.8160.711.5109.7T6 D8 Y19 V43 D44 D47 V62 S63T6-R17 VanDerWaalsContact CG2-CD 3.5Å; T6-R17 HydrophobicContact CG2-CG 3.56Å; D8-R17 VanDerWaalsContact OD1-CB 3.25Å; D8-R17 WeakPolarHBondContact OD1-CB 3.45Å; D8-R17 WeakPolarHBondContact OD1-CG 3.26Å; D8-R17 IonicContact OD1-CZ 3.27Å; D8-R17 IonicContact OD1-NE 3.57Å; D8-R17 PolarHBondContact OD1-NE 2.87Å; D8-R17 IonicContact OD1-NH2 2.7Å; D8-R17 IonicContact OD2-CZ 3.69Å; D8-R17 IonicContact OD2-NE 3.65Å; D8-R17 IonicContact OD2-NH2 3Å; D8-R17 PolarHBondContact OD2-NH2 3Å; R17-Y19 HydrophobicContact CB-CE2 4.25Å; R17-Y19 VanDerWaalsContact CD-CZ 3.47Å; R17-Y19 WeakPolarHBondContact CD-OH 3.07Å; R17-Y19 HydrophobicContact CG-CD2 4.39Å; R17-Y19 HydrophobicContact CG-CE1 4.21Å; R17-Y19 HydrophobicContact CG-CE2 3.71Å; R17-V43 HydrophobicContact CB-CB 4.13Å; R17-V43 HydrophobicContact CB-CG1 4.25Å; R17-V43 HydrophobicContact CB-CG2 4.34Å; R17-D44 IonicContact CZ-OD1 2.7Å; R17-D44 VanDerWaalsContact CZ-OD1 3.27Å; R17-D44 IonicContact NH1-OD1 2.66Å; R17-D44 PolarHBondContact NH1-OD1 2.95Å; R17-D44 IonicContact NH2-OD1 3.15Å; R17-D44 PolarHBondContact NH2-OD1 3.03Å; R17-D47 IonicContact NH1-OD1 3.88Å; R17-V62 CarbonylContact O-C 3.56Å; R17-S63 PolarHBondContact N-O 3.18Å; R17-S63 PolarHBondContact O-N 3.06Å
18V98.5Very high96.5Very high0 Ų051.8 Ų51.80%027%0.267CS..EExtended strand (participates in β ladder)trans-104.5130.4-179.4-175.20000109.5T6 T7 V9 F11 V16 E20 L60 T61 V62 F96T6-V18 VanDerWaalsContact CA-O 3.29Å; T6-V18 WeakPolarHBondContact CA-O 3.46Å; T7-V18 PolarHBondContact N-O 2.98Å; T7-V18 PolarHBondContact O-N 2.7Å; V9-V18 HydrophobicContact CG2-CG2 3.83Å; F11-V18 HydrophobicContact CZ-CG2 4.5Å; V16-V18 HydrophobicContact CG2-CG2 4.15Å; V18-E20 HydrophobicContact CG1-CG 4.26Å; V18-L60 HydrophobicContact CG1-CD1 3.45Å; V18-L60 VanDerWaalsContact CG1-CD1 3.45Å; V18-L60 HydrophobicContact CG1-CG 4.23Å; V18-T61 CarbonylContact C-O 3.58Å; V18-T61 WeakPolarHBondContact CA-O 3.21Å; V18-V62 HydrophobicContact CG2-CG1 4.43Å; V18-V62 HydrophobicContact CG2-CG2 4.24Å; V18-F96 HydrophobicContact CB-CE1 4.18Å; V18-F96 HydrophobicContact CB-CZ 4.29Å; V18-F96 HydrophobicContact CG1-CD1 3.93Å; V18-F96 HydrophobicContact CG1-CE1 3.72Å; V18-F96 HydrophobicContact CG1-CG 4.47Å; V18-F96 HydrophobicContact CG1-CZ 4.11Å; V18-F96 HydrophobicContact CG2-CE1 4.23Å; V18-F96 HydrophobicContact CG2-CE2 4.31Å; V18-F96 HydrophobicContact CG2-CZ 3.83Å
19Y98Very high96.5Very high0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-112.1114.1175.4-55.6-93.8000108.7T6 R17 D47 T50 R51 T61T6-Y19 HydrophobicContact CG2-CD1 4.15Å; T6-Y19 HydrophobicContact CG2-CE1 3.97Å; R17-Y19 HydrophobicContact CB-CE2 4.25Å; R17-Y19 VanDerWaalsContact CD-CZ 3.47Å; R17-Y19 WeakPolarHBondContact CD-OH 3.07Å; R17-Y19 HydrophobicContact CG-CD2 4.39Å; R17-Y19 HydrophobicContact CG-CE1 4.21Å; R17-Y19 HydrophobicContact CG-CE2 3.71Å; Y19-D47 WeakPolarHBondContact CE1-OD1 3.45Å; Y19-D47 WeakPolarHBondContact OH-CA 3.44Å; Y19-D47 PolarHBondContact OH-OD1 3.27Å; Y19-T50 VanDerWaalsContact CE2-OG1 3.27Å; Y19-T50 WeakPolarHBondContact CE2-OG1 3.27Å; Y19-T50 PolarHBondContact OH-OG1 3.5Å; Y19-T50 VanDerWaalsContact OH-OG1 3.05Å; Y19-R51 HydrophobicContact CD1-CB 4.27Å; Y19-R51 HydrophobicContact CE1-CB 4.24Å; Y19-T61 HydrophobicContact CD2-CG2 4.36Å; Y19-T61 WeakPolarHBondContact CD2-O 3.25Å; Y19-T61 PolarHBondContact N-O 2.89Å; Y19-T61 PolarHBondContact O-N 2.73Å
20E97.1Very high96.6Very high44 Ų4444.7 Ų44.721%0.20623%0.227CC..EExtended strand (participates in β ladder)trans-98.6116.7176.3-63.8-162.9-106.900110.4Q5 V18 R24 L60Q5-E20 HydrophobicContact CB-CB 4.31Å; Q5-E20 PolarHBondContact N-O 3Å; Q5-E20 PolarHBondContact O-N 2.8Å; V18-E20 HydrophobicContact CG1-CG 4.26Å; E20-R24 IonicContact OE2-NH2 3.33Å; E20-R24 PolarHBondContact OE2-NH2 3.02Å; E20-L60 HydrophobicContact CG-CD1 3.68Å
21P94Very high96.6Very high11 Ų1138.4 Ų38.47%0.07120%0.198CC..  trans-66.7135.2176.929.5-35.1000111.5L4 Q23 R24 M59L4-P21 HydrophobicContact CD2-CB 4.16Å; P21-Q23 PolarHBondContact O-N 2.77Å; P21-R24 HydrophobicContact CG-CG 3.91Å; P21-M59 WeakPolarHBondContact CD-O 3.36Å; P21-M59 WeakPolarHBondContact CG-O 3.47Å
22K86.5Confident96.6Very high161 Ų16138.2 Ų38.270%0.720%0.197SC*.SBendtrans-56.7-40.1176.8-177.9178.8178.5178.30111.9K2K2-K22 HydrophobicContact CB-CD 4.47Å
23Q89.4Confident96.6Very high141 Ų14134.7 Ų34.766%0.65918%0.178SC*.SBendtrans-116.6112.3173-179.9177.71.500107.3P21 L25P21-Q23 PolarHBondContact O-N 2.77Å; Q23-L25 HydrophobicContact CG-CD2 4.25Å; Q23-L25 PolarHBondContact O-N 2.74Å
24R93Very high96.7Very high78 Ų7832.5 Ų32.529%0.29416%0.156SC..  trans-74.3123169.7-73.9-174.7-177-154.54.2109.2E20 P21 G58 F96 N97E20-R24 IonicContact OE2-NH2 3.33Å; E20-R24 PolarHBondContact OE2-NH2 3.02Å; P21-R24 HydrophobicContact CG-CG 3.91Å; R24-G58 CarbonylContact C-O 3.58Å; R24-G58 VanDerWaalsContact CA-O 3.26Å; R24-G58 WeakPolarHBondContact CA-O 3.35Å; R24-F96 VanDerWaalsContact CZ-O 3.22Å; R24-F96 PolarHBondContact NH1-O 3.21Å; R24-F96 PolarHBondContact NH2-O 3.32Å; R24-N97 PolarHBondContact NH1-O 2.84Å
25L94.5Very high96.6Very high86 Ų8632.5 Ų32.545%0.4516%0.156SC..SBendtrans-92.4-16.4169.3-59179.8000111Q23 G58 L325Q23-L25 HydrophobicContact CG-CD2 4.25Å; Q23-L25 PolarHBondContact O-N 2.74Å; L25-G58 PolarHBondContact N-O 2.78Å; L25-L325 HydrophobicContact CB-CD1 4.27Å; L25-L325 HydrophobicContact CB-CD2 4.25Å; L25-L325 HydrophobicContact CD1-CD2 4.19Å
26S95.9Very high96.6Very high8 Ų830.2 Ų30.26%0.05614%0.143CC..  trans-147.6151.8177.1176.50000109.7G28 G58 E329S26-G28 PolarHBondContact OG-N 2.85Å; S26-G58 PolarHBondContact N-O 2.76Å; S26-E329 VanDerWaalsContact CB-OE1 3.24Å; S26-E329 WeakPolarHBondContact CB-OE1 3.26Å; S26-E329 PolarHBondContact OG-OE1 3.1Å
27D96.8Very high96.5Very high63 Ų6330.3 Ų30.334%0.33715%0.145SC..SBendtrans-81.91.716763.4-31.5000112.5A98 N99 K102D27-A98 CarbonylContact O-C 3.57Å; D27-A98 VanDerWaalsContact O-CA 3.27Å; D27-A98 WeakPolarHBondContact O-CA 3.35Å; D27-N99 HydrophobicContact CB-CB 4.29Å; D27-N99 WeakPolarHBondContact O-CB 3.33Å; D27-N99 PolarHBondContact O-N 3.06Å; D27-N99 VanDerWaalsContact OD2-CB 3.24Å; D27-N99 WeakPolarHBondContact OD2-CB 3.38Å; D27-N99 PolarHBondContact OD2-ND2 3.48Å; D27-K102 WeakPolarHBondContact OD1-CD 3.25Å; D27-K102 WeakPolarHBondContact OD1-CE 3.17Å; D27-K102 IonicContact OD1-NZ 2.95Å; D27-K102 PolarHBondContact OD1-NZ 3.42Å
28G98Very high96.5Very high0 Ų028.9 Ų28.90%014%0.139CC..  trans-74.5173.4175.900000114.6S26 L60 K102S26-G28 PolarHBondContact OG-N 2.85Å; G28-L60 PolarHBondContact O-N 2.57Å; G28-K102 VanDerWaalsContact CA-O 3.3Å; G28-K102 WeakPolarHBondContact CA-O 3.44Å
29A98.7Very high96.5Very high0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-134.1143.9-179.900000113M59 L60 F88 A98 K102 V103 V104A29-M59 VanDerWaalsContact N-CE 3.33Å; A29-L60 CarbonylContact C-O 3.59Å; A29-L60 WeakPolarHBondContact CA-O 3.31Å; A29-L60 HydrophobicContact CB-CB 4.11Å; A29-L60 HydrophobicContact CB-CD2 4.21Å; A29-F88 HydrophobicContact CB-CE1 3.66Å; A29-F88 HydrophobicContact CB-CZ 3.44Å; A29-F88 VanDerWaalsContact CB-CZ 3.44Å; A29-A98 HydrophobicContact CB-CB 4.36Å; A29-K102 PolarHBondContact N-O 2.88Å; A29-V103 CarbonylContact O-C 3.51Å; A29-V103 WeakPolarHBondContact O-CA 3.39Å; A29-V104 PolarHBondContact O-N 2.67Å
30L98.8Very high96.4Very high0 Ų033.9 Ų33.90%017%0.166CC..EExtended strand (participates in β ladder)trans-99133.8166.3-51.2-174.6000108.6L53 T57 M59 L60 T61 V62 V104 I106 I324L30-L53 HydrophobicContact CD1-CB 4.25Å; L30-T57 HydrophobicContact CD1-CG2 3.99Å; L30-M59 HydrophobicContact CD2-CE 3.53Å; L30-M59 HydrophobicContact CD2-SD 3.84Å; L30-M59 HydrophobicContact CG-CB 4.26Å; L30-M59 HydrophobicContact CG-CE 4.25Å; L30-M59 HydrophobicContact CG-SD 4.43Å; L30-L60 PolarHBondContact N-O 2.71Å; L30-T61 HydrophobicContact CB-CG2 4.1Å; L30-T61 HydrophobicContact CD1-CG2 4.46Å; L30-T61 CarbonylContact O-C 3.59Å; L30-T61 WeakPolarHBondContact O-CA 3.44Å; L30-V62 PolarHBondContact O-N 2.82Å; L30-V104 CarbonylContact C-O 3.41Å; L30-V104 WeakPolarHBondContact CA-O 3.43Å; L30-V104 HydrophobicContact CD2-CB 3.8Å; L30-V104 HydrophobicContact CD2-CG1 4.19Å; L30-V104 HydrophobicContact CD2-CG2 4.43Å; L30-I106 HydrophobicContact CB-CG2 4.28Å; L30-I324 HydrophobicContact CD2-CD1 4.31Å; L30-I324 HydrophobicContact CD2-CG2 3.86Å
31I98.9Very high96.4Very high1 Ų135 Ų351%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-111.7115.4163.9-56.3176.8000106.7F33 V62 V64 V85 F88 V103 V104 L105 I106I31-F33 HydrophobicContact CG2-CD1 4.42Å; I31-F33 HydrophobicContact CG2-CE1 3.69Å; I31-F33 HydrophobicContact CG2-CZ 4.16Å; I31-V62 CarbonylContact C-O 3.43Å; I31-V62 WeakPolarHBondContact CA-O 3.23Å; I31-V62 HydrophobicContact CG1-CB 4.44Å; I31-V64 HydrophobicContact CG2-CG2 3.71Å; I31-V85 HydrophobicContact CD1-CB 4.38Å; I31-V85 HydrophobicContact CD1-CG1 4.38Å; I31-V85 HydrophobicContact CD1-CG2 3.96Å; I31-V85 HydrophobicContact CG2-CG2 4.08Å; I31-F88 HydrophobicContact CD1-CB 3.91Å; I31-F88 HydrophobicContact CD1-CD1 3.83Å; I31-F88 HydrophobicContact CD1-CG 3.95Å; I31-V103 HydrophobicContact CD1-CG1 3.85Å; I31-V103 HydrophobicContact CG1-CG1 4.12Å; I31-V104 PolarHBondContact N-O 2.82Å; I31-L105 HydrophobicContact CB-CD2 3.71Å; I31-L105 HydrophobicContact CD1-CD2 4.07Å; I31-L105 HydrophobicContact CG1-CD2 4.27Å; I31-L105 HydrophobicContact CG2-CD2 4.34Å; I31-L105 WeakPolarHBondContact O-CA 2.97Å; I31-I106 PolarHBondContact O-N 2.88Å
32F98.9Very high96.6Very high0 Ų037.3 Ų37.30%018%0.182CC..EExtended strand (participates in β ladder)trans-102.1129-173.8-173.4-86000111.1H34 Y46 L49 T50 L53 V62 V64 I106F32-H34 HydrophobicContact CE1-CB 3.97Å; F32-Y46 AromaticContact CE1-CD1 3.39Å; F32-Y46 HydrophobicContact CE1-CD1 3.39Å; F32-Y46 AromaticContact CE1-CE1 3.9Å; F32-Y46 HydrophobicContact CE1-CE1 3.9Å; F32-Y46 HydrophobicContact CE1-CG 4.1Å; F32-Y46 AromaticContact CZ-CD1 3.59Å; F32-Y46 HydrophobicContact CZ-CD1 3.59Å; F32-Y46 AromaticContact CZ-CE1 3.81Å; F32-Y46 HydrophobicContact CZ-CE1 3.81Å; F32-L49 HydrophobicContact CE2-CD2 4.14Å; F32-L49 HydrophobicContact CZ-CD2 3.87Å; F32-T50 HydrophobicContact CB-CG2 4.17Å; F32-T50 HydrophobicContact CD1-CG2 3.44Å; F32-T50 VanDerWaalsContact CD1-CG2 3.44Å; F32-T50 HydrophobicContact CD2-CG2 4.21Å; F32-T50 HydrophobicContact CE1-CG2 3.84Å; F32-T50 HydrophobicContact CG-CG2 3.67Å; F32-T50 HydrophobicContact CZ-CG2 4.41Å; F32-L53 HydrophobicContact CD2-CD1 3.83Å; F32-L53 HydrophobicContact CE2-CD1 3.89Å; F32-V62 PolarHBondContact N-O 2.81Å; F32-V64 PolarHBondContact O-N 2.89Å; F32-I106 CarbonylContact C-O 3.55Å; F32-I106 VanDerWaalsContact CA-O 3.23Å; F32-I106 WeakPolarHBondContact CA-O 3.46Å; F32-I106 HydrophobicContact CB-CG2 4.17Å; F32-I106 HydrophobicContact CD2-CB 4.5Å; F32-I106 HydrophobicContact CD2-CG1 4.21Å; F32-I106 HydrophobicContact CD2-CG2 3.79Å; F32-I106 HydrophobicContact CE2-CG1 4.39Å; F32-I106 HydrophobicContact CG-CG2 4.44Å
33F98.9Very high97.2Very high0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans-110.6123.6170.1-53.2-36.5000109I31 V64 C81 V85 L105 I106 G107 G111 L114 V115 A118I31-F33 HydrophobicContact CG2-CD1 4.42Å; I31-F33 HydrophobicContact CG2-CE1 3.69Å; I31-F33 HydrophobicContact CG2-CZ 4.16Å; F33-V64 HydrophobicContact CD1-CB 3.94Å; F33-V64 HydrophobicContact CD1-CG2 3.94Å; F33-V64 HydrophobicContact CE1-CB 4.1Å; F33-V64 HydrophobicContact CE1-CG2 3.69Å; F33-C81 HydrophobicContact CD1-CB 4.18Å; F33-C81 HydrophobicContact CE1-CB 3.7Å; F33-C81 HydrophobicContact CE2-CB 4.12Å; F33-C81 HydrophobicContact CZ-CB 3.66Å; F33-V85 HydrophobicContact CE1-CG2 4.27Å; F33-V85 HydrophobicContact CZ-CG2 3.63Å; F33-L105 HydrophobicContact CE2-CD1 4.5Å; F33-I106 PolarHBondContact N-O 2.86Å; F33-G107 WeakPolarHBondContact O-CA 3.49Å; F33-G111 WeakPolarHBondContact O-CA 3.42Å; F33-L114 HydrophobicContact CB-CB 4.15Å; F33-L114 HydrophobicContact CB-CD1 4.4Å; F33-L114 HydrophobicContact CD2-CB 3.63Å; F33-L114 HydrophobicContact CE2-CB 4.29Å; F33-L114 HydrophobicContact CG-CB 4.09Å; F33-V115 HydrophobicContact CD2-CB 4.45Å; F33-V115 HydrophobicContact CD2-CG2 3.66Å; F33-V115 HydrophobicContact CE2-CG2 4.17Å; F33-A118 HydrophobicContact CE2-CB 4.04Å; F33-A118 HydrophobicContact CZ-CB 4.43Å
34H98.8Very high97.6Very high0 Ų027.9 Ų27.90%014%0.144CC..  trans-76.1152.8-178.864.883.9000112.7F32 F41 Y46 V64 Y66 G111F32-H34 HydrophobicContact CE1-CB 3.97Å; H34-F41 PolarHBondContact CE1-O 3.07Å; H34-Y46 HydrophobicContact CB-CD1 3.94Å; H34-Y46 HydrophobicContact CB-CD2 3.45Å; H34-Y46 VanDerWaalsContact CB-CD2 3.45Å; H34-Y46 HydrophobicContact CB-CE1 4.01Å; H34-Y46 HydrophobicContact CB-CE2 3.53Å; H34-Y46 HydrophobicContact CB-CG 3.65Å; H34-V64 PolarHBondContact CD2-O 2.93Å; H34-Y66 AromaticContact CD2-CE1 3.63Å; H34-Y66 AromaticContact CE1-CE1 3.68Å; H34-Y66 AromaticContact CE1-CE2 3.98Å; H34-Y66 AromaticContact CE1-CZ 3.38Å; H34-Y66 PolarHBondContact CE1-OH 2.95Å; H34-Y66 VanDerWaalsContact CE1-OH 3.28Å; H34-Y66 AromaticContact CG-CE1 3.88Å; H34-Y66 AromaticContact ND1-CE1 3.91Å; H34-Y66 AromaticContact ND1-CZ 3.7Å; H34-Y66 PolarHBondContact ND1-OH 3.14Å; H34-Y66 AromaticContact NE2-CD1 3.95Å; H34-Y66 AromaticContact NE2-CE1 3.52Å; H34-Y66 AromaticContact NE2-CZ 3.68Å; H34-Y66 PolarHBondContact O-OH 3.02Å; H34-G111 VanDerWaalsContact O-CA 3.24Å; H34-G111 WeakPolarHBondContact O-CA 3.33Å; H34-G111 PolarHBondContact O-N 2.93Å
35G98.3Very high97.8Very high0 Ų027.3 Ų27.30%015%0.152CC..  trans-74.3-166.5165.400000113.3Y46 D108G35-Y46 VanDerWaalsContact CA-OH 3.26Å; G35-Y46 WeakPolarHBondContact CA-OH 3.24Å; G35-Y46 PolarHBondContact N-OH 2.98Å; G35-D108 WeakPolarHBondContact CA-O 3.27Å; G35-D108 PolarHBondContact N-O 3.12Å; G35-D108 PolarHBondContact N-OD1 2.84Å; G35-D108 VanDerWaalsContact N-OD1 3.12Å
36G97.2Very high98Very high9 Ų923.4 Ų23.49%0.09313%0.132CC..SBendtrans116.318.8-176.900000114.3F38 V39 L40G36-F38 PolarHBondContact O-N 3.07Å; G36-F38 VanDerWaalsContact O-N 3.13Å; G36-V39 PolarHBondContact O-N 3.12Å; G36-L40 WeakPolarHBondContact O-CB 3.37Å; G36-L40 PolarHBondContact O-N 3.27Å
37G97.4Very high98Very high5 Ų525 Ų255%0.05214%0.139CC..THydrogen-bonded Turntrans59.528.3176.100000114V39G37-V39 WeakPolarHBondContact O-CG2 3.44Å; G37-V39 PolarHBondContact O-N 3.03Å; G37-V39 VanDerWaalsContact O-N 3.11Å
38F98.6Very high98Very high0 Ų023.6 Ų23.60%014%0.137CC..THydrogen-bonded Turntrans62.97.7-175.6-40.2-84.2000115.5G36 V68 A69 A77 A110 N113 L114 F140 M173 Y176 F249G36-F38 PolarHBondContact O-N 3.07Å; G36-F38 VanDerWaalsContact O-N 3.13Å; F38-V68 WeakPolarHBondContact O-CA 3.32Å; F38-V68 WeakPolarHBondContact O-CB 3.38Å; F38-A69 PolarHBondContact O-N 3.44Å; F38-A77 HydrophobicContact CD1-CB 4.45Å; F38-A110 HydrophobicContact CD1-CB 3.86Å; F38-A110 HydrophobicContact CD2-CB 3.98Å; F38-A110 HydrophobicContact CE1-CB 3.72Å; F38-A110 HydrophobicContact CE2-CB 3.82Å; F38-A110 HydrophobicContact CG-CB 3.99Å; F38-A110 HydrophobicContact CZ-CB 3.69Å; F38-N113 HydrophobicContact CE1-CB 4.21Å; F38-N113 HydrophobicContact CZ-CB 3.72Å; F38-L114 HydrophobicContact CD1-CD1 4.32Å; F38-L114 HydrophobicContact CD1-CG 4.45Å; F38-L114 HydrophobicContact CE1-CD1 4.24Å; F38-L114 HydrophobicContact CE1-CD2 4.18Å; F38-L114 HydrophobicContact CE1-CG 3.94Å; F38-F140 AromaticContact CE2-CD1 3.93Å; F38-F140 HydrophobicContact CE2-CD1 3.93Å; F38-F140 HydrophobicContact CE2-CE1 4.3Å; F38-F140 HydrophobicContact CZ-CD1 4.17Å; F38-M173 HydrophobicContact CD2-CE 3.68Å; F38-M173 HydrophobicContact CD2-SD 3.99Å; F38-M173 HydrophobicContact CE2-CE 3.73Å; F38-M173 HydrophobicContact CE2-SD 3.74Å; F38-Y176 HydrophobicContact CB-CD1 3.86Å; F38-Y176 HydrophobicContact CB-CD2 3.35Å; F38-Y176 HydrophobicContact CB-CE1 4.07Å; F38-Y176 HydrophobicContact CB-CE2 3.61Å; F38-Y176 HydrophobicContact CB-CG 3.49Å; F38-Y176 VanDerWaalsContact CB-CG 3.49Å; F38-Y176 HydrophobicContact CD1-CD1 4.39Å; F38-Y176 AromaticContact CD1-CE1 3.91Å; F38-Y176 HydrophobicContact CD1-CE1 3.91Å; F38-Y176 HydrophobicContact CD1-CE2 4.36Å; F38-Y176 AromaticContact CD1-CZ 3.89Å; F38-Y176 AromaticContact CD2-CD1 3.48Å; F38-Y176 HydrophobicContact CD2-CD1 3.48Å; F38-Y176 VanDerWaalsContact CD2-CD1 3.48Å; F38-Y176 AromaticContact CD2-CE1 3.76Å; F38-Y176 HydrophobicContact CD2-CE1 3.76Å; F38-Y176 AromaticContact CD2-CG 3.91Å; F38-Y176 HydrophobicContact CD2-CG 3.91Å; F38-Y176 HydrophobicContact CE1-CE1 4.26Å; F38-Y176 HydrophobicContact CE2-CD1 4.1Å; F38-Y176 HydrophobicContact CE2-CE1 4.16Å; F38-Y176 AromaticContact CG-CD1 3.66Å; F38-Y176 HydrophobicContact CG-CD1 3.66Å; F38-Y176 HydrophobicContact CG-CD2 4.04Å; F38-Y176 AromaticContact CG-CE1 3.64Å; F38-Y176 HydrophobicContact CG-CE1 3.64Å; F38-Y176 HydrophobicContact CG-CE2 4.06Å; F38-Y176 AromaticContact CG-CG 3.86Å; F38-Y176 HydrophobicContact CG-CG 3.86Å; F38-Y176 AromaticContact CG-CZ 3.85Å; F38-Y176 HydrophobicContact CZ-CE1 4.38Å; F38-F249 HydrophobicContact CE2-CE2 4.41Å
39V98.3Very high98Very high27 Ų2723.9 Ų23.916%0.16414%0.138CC..THydrogen-bonded Turntrans-123.5-30.1-172.8174.80000111.5G36 G37 A69 L172 T175G36-V39 PolarHBondContact O-N 3.12Å; G37-V39 WeakPolarHBondContact O-CG2 3.44Å; G37-V39 PolarHBondContact O-N 3.03Å; G37-V39 VanDerWaalsContact O-N 3.11Å; V39-A69 WeakPolarHBondContact CA-O 3.4Å; V39-A69 WeakPolarHBondContact CG1-O 3.23Å; V39-A69 HydrophobicContact CG2-CB 4.06Å; V39-L172 HydrophobicContact CB-CD2 3.8Å; V39-L172 HydrophobicContact CG1-CD2 4.19Å; V39-L172 HydrophobicContact CG2-CD2 4.11Å; V39-T175 HydrophobicContact CG1-CG2 4.16Å; V39-T175 HydrophobicContact CG2-CG2 3.88Å
40L96.6Very high98Very high78 Ų7823.9 Ų23.941%0.40814%0.138SC..SBendtrans-114.4162.8-173.7-57.3174.7000111.7G36 L172G36-L40 WeakPolarHBondContact O-CB 3.37Å; G36-L40 PolarHBondContact O-N 3.27Å; L40-L172 HydrophobicContact CD1-CD2 4.3Å; L40-L172 HydrophobicContact CG-CD2 4.38Å
41F97.6Very high97.8Very high68 Ų6826.7 Ų26.730%0.29815%0.149SC..  trans66.2176.3173.6-50.7-49.6000114.6H34 Y46 F163H34-F41 PolarHBondContact CE1-O 3.07Å; F41-Y46 HydrophobicContact CB-CD2 4.12Å; F41-Y46 HydrophobicContact CB-CE2 3.8Å; F41-Y46 AromaticContact CD2-CE2 3.82Å; F41-Y46 HydrophobicContact CD2-CE2 3.82Å; F41-Y46 AromaticContact CG-CE2 3.96Å; F41-Y46 HydrophobicContact CG-CE2 3.96Å; F41-F163 HydrophobicContact CZ-CZ 4.32Å
42N98.3Very high97.7Very high58 Ų5828.5 Ų28.531%0.3116%0.159SC..  trans-167.2-176.3-175.152.834000108D44 S45 Y46 N65N42-D44 VanDerWaalsContact C-N 3.26Å; N42-D44 PolarHBondContact O-N 3.03Å; N42-D44 WeakPolarHBondContact OD1-CB 3.37Å; N42-D44 PolarHBondContact OD1-N 3.22Å; N42-D44 VanDerWaalsContact OD1-N 3.1Å; N42-S45 PolarHBondContact O-N 2.72Å; N42-S45 PolarHBondContact OD1-N 2.9Å; N42-S45 PolarHBondContact OD1-OG 3.39Å; N42-S45 VanDerWaalsContact OD1-OG 3.06Å; N42-Y46 PolarHBondContact O-N 3.38Å; N42-N65 VanDerWaalsContact CB-OD1 3.32Å; N42-N65 WeakPolarHBondContact CB-OD1 3.37Å
43V98.2Very high97.6Very high7 Ų728.7 Ų28.74%0.04216%0.16CC..THydrogen-bonded Turntrans-58.8-31.9177.7-650000114.2R17 Y46 D47 N65R17-V43 HydrophobicContact CB-CB 4.13Å; R17-V43 HydrophobicContact CB-CG1 4.25Å; R17-V43 HydrophobicContact CB-CG2 4.34Å; V43-Y46 CarbonylContact O-C 3.53Å; V43-Y46 PolarHBondContact O-N 3.45Å; V43-D47 PolarHBondContact O-N 3.25Å; V43-D47 VanDerWaalsContact O-N 3.08Å; V43-N65 HydrophobicContact CG1-CB 3.57Å; V43-N65 HydrophobicContact CG2-CB 4.26Å; V43-N65 PolarHBondContact N-OD1 2.6Å
44D98.1Very high97.5Very high97 Ų9728.7 Ų28.752%0.51916%0.16SC..THydrogen-bonded Turntrans-69.2-41.1178.2-63.1-41.7000111.3R17 N42 Y46 D47R17-D44 IonicContact CZ-OD1 2.7Å; R17-D44 VanDerWaalsContact CZ-OD1 3.27Å; R17-D44 IonicContact NH1-OD1 2.66Å; R17-D44 PolarHBondContact NH1-OD1 2.95Å; R17-D44 IonicContact NH2-OD1 3.15Å; R17-D44 PolarHBondContact NH2-OD1 3.03Å; N42-D44 VanDerWaalsContact C-N 3.26Å; N42-D44 PolarHBondContact O-N 3.03Å; N42-D44 WeakPolarHBondContact OD1-CB 3.37Å; N42-D44 PolarHBondContact OD1-N 3.22Å; N42-D44 VanDerWaalsContact OD1-N 3.1Å; D44-Y46 PolarHBondContact O-N 3.02Å; D44-D47 PolarHBondContact O-N 3.37Å
45S97Very high97.4Very high66 Ų6631.1 Ų31.146%0.46218%0.18SC..THydrogen-bonded Turntrans-65-23.6177.1-53.40000112.6N42N42-S45 PolarHBondContact O-N 2.72Å; N42-S45 PolarHBondContact OD1-N 2.9Å; N42-S45 PolarHBondContact OD1-OG 3.39Å; N42-S45 VanDerWaalsContact OD1-OG 3.06Å
46Y98Very high97.2Very high5 Ų536.2 Ų36.22%0.0220%0.204CC..THydrogen-bonded Turntrans-106.26.7-179.1-86.2-101.8000114.2F32 H34 G35 F41 N42 V43 D44 A48 L49 T50 D108 N305F32-Y46 AromaticContact CE1-CD1 3.39Å; F32-Y46 HydrophobicContact CE1-CD1 3.39Å; F32-Y46 AromaticContact CE1-CE1 3.9Å; F32-Y46 HydrophobicContact CE1-CE1 3.9Å; F32-Y46 HydrophobicContact CE1-CG 4.1Å; F32-Y46 AromaticContact CZ-CD1 3.59Å; F32-Y46 HydrophobicContact CZ-CD1 3.59Å; F32-Y46 AromaticContact CZ-CE1 3.81Å; F32-Y46 HydrophobicContact CZ-CE1 3.81Å; H34-Y46 HydrophobicContact CB-CD1 3.94Å; H34-Y46 HydrophobicContact CB-CD2 3.45Å; H34-Y46 VanDerWaalsContact CB-CD2 3.45Å; H34-Y46 HydrophobicContact CB-CE1 4.01Å; H34-Y46 HydrophobicContact CB-CE2 3.53Å; H34-Y46 HydrophobicContact CB-CG 3.65Å; G35-Y46 VanDerWaalsContact CA-OH 3.26Å; G35-Y46 WeakPolarHBondContact CA-OH 3.24Å; G35-Y46 PolarHBondContact N-OH 2.98Å; F41-Y46 HydrophobicContact CB-CD2 4.12Å; F41-Y46 HydrophobicContact CB-CE2 3.8Å; F41-Y46 AromaticContact CD2-CE2 3.82Å; F41-Y46 HydrophobicContact CD2-CE2 3.82Å; F41-Y46 AromaticContact CG-CE2 3.96Å; F41-Y46 HydrophobicContact CG-CE2 3.96Å; N42-Y46 PolarHBondContact O-N 3.38Å; V43-Y46 CarbonylContact O-C 3.53Å; V43-Y46 PolarHBondContact O-N 3.45Å; D44-Y46 PolarHBondContact O-N 3.02Å; Y46-A48 VanDerWaalsContact C-N 3.31Å; Y46-A48 PolarHBondContact O-N 3.25Å; Y46-L49 HydrophobicContact CD1-CD2 4.04Å; Y46-L49 HydrophobicContact CE1-CD2 4.14Å; Y46-L49 PolarHBondContact O-N 3.43Å; Y46-T50 WeakPolarHBondContact O-CG2 3.35Å; Y46-T50 PolarHBondContact O-N 3.43Å; Y46-T50 PolarHBondContact O-OG1 2.78Å; Y46-D108 WeakPolarHBondContact CE1-OD1 3.34Å; Y46-D108 PolarHBondContact OH-OD1 3.19Å; Y46-D108 PolarHBondContact OH-OD2 3.18Å; Y46-N305 PolarHBondContact OH-ND2 2.79Å
47D97Very high97.2Very high40 Ų4035.8 Ų35.821%0.21420%0.199CC..Hα-helixtrans-54.7-46.7-175.8-177.592.6000111.7R17 Y19 V43 D44 L49 T50 R51R17-D47 IonicContact NH1-OD1 3.88Å; Y19-D47 WeakPolarHBondContact CE1-OD1 3.45Å; Y19-D47 WeakPolarHBondContact OH-CA 3.44Å; Y19-D47 PolarHBondContact OH-OD1 3.27Å; V43-D47 PolarHBondContact O-N 3.25Å; V43-D47 VanDerWaalsContact O-N 3.08Å; D44-D47 PolarHBondContact O-N 3.37Å; D47-L49 PolarHBondContact O-N 3.46Å; D47-T50 PolarHBondContact O-OG1 3.25Å; D47-R51 WeakPolarHBondContact O-CB 3.5Å; D47-R51 PolarHBondContact O-N 3.3Å; D47-R51 IonicContact OD1-CZ 3.49Å; D47-R51 IonicContact OD1-NE 3.59Å; D47-R51 IonicContact OD1-NH2 3.2Å; D47-R51 PolarHBondContact OD1-NH2 3.27Å; D47-R51 IonicContact OD2-CZ 2.79Å; D47-R51 IonicContact OD2-NE 2.73Å; D47-R51 PolarHBondContact OD2-NE 2.98Å; D47-R51 IonicContact OD2-NH2 2.98Å; D47-R51 PolarHBondContact OD2-NH2 3.31Å
48A96.6Very high97.1Very high35 Ų3535.6 Ų35.629%0.28920%0.197SC..Hα-helixtrans-60.3-47.9-177.900000113Y46 D52Y46-A48 VanDerWaalsContact C-N 3.31Å; Y46-A48 PolarHBondContact O-N 3.25Å; A48-D52 WeakPolarHBondContact O-CB 3.41Å; A48-D52 VanDerWaalsContact O-CG 3.24Å; A48-D52 PolarHBondContact O-N 3.41Å
49L97.8Very high97.1Very high5 Ų535.6 Ų35.63%0.02620%0.197CC..Hα-helixtrans-68.4-46.4-177.517661.2000111.3F32 Y46 D47 R51 D52 L53 F304 H307 V317F32-L49 HydrophobicContact CE2-CD2 4.14Å; F32-L49 HydrophobicContact CZ-CD2 3.87Å; Y46-L49 HydrophobicContact CD1-CD2 4.04Å; Y46-L49 HydrophobicContact CE1-CD2 4.14Å; Y46-L49 PolarHBondContact O-N 3.43Å; D47-L49 PolarHBondContact O-N 3.46Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-R51 PolarHBondContact O-N 3.05Å; L49-D52 PolarHBondContact O-N 2.93Å; L49-L53 HydrophobicContact CD1-CD1 4.28Å; L49-L53 HydrophobicContact CD1-CG 4.32Å; L49-L53 HydrophobicContact CG-CD1 4.14Å; L49-L53 WeakPolarHBondContact O-CB 3.16Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 2.88Å; L49-F304 HydrophobicContact CD1-CD1 4.4Å; L49-F304 HydrophobicContact CD2-CB 4.11Å; L49-H307 WeakPolarHBondContact CA-CE1 3.26Å; L49-H307 PolarHBondContact N-CE1 2.92Å; L49-V317 HydrophobicContact CD1-CG1 4.5Å; L49-V317 HydrophobicContact CD1-CG2 3.8Å
50T97.9Very high97.1Very high0 Ų034.3 Ų34.30%019%0.189CC..Hα-helixtrans-66.9-38.2-178.751.70000111.7Y19 F32 Y46 D47 L53 A54Y19-T50 VanDerWaalsContact CE2-OG1 3.27Å; Y19-T50 WeakPolarHBondContact CE2-OG1 3.27Å; Y19-T50 PolarHBondContact OH-OG1 3.5Å; Y19-T50 VanDerWaalsContact OH-OG1 3.05Å; F32-T50 HydrophobicContact CB-CG2 4.17Å; F32-T50 HydrophobicContact CD1-CG2 3.44Å; F32-T50 VanDerWaalsContact CD1-CG2 3.44Å; F32-T50 HydrophobicContact CD2-CG2 4.21Å; F32-T50 HydrophobicContact CE1-CG2 3.84Å; F32-T50 HydrophobicContact CG-CG2 3.67Å; F32-T50 HydrophobicContact CZ-CG2 4.41Å; Y46-T50 WeakPolarHBondContact O-CG2 3.35Å; Y46-T50 PolarHBondContact O-N 3.43Å; Y46-T50 PolarHBondContact O-OG1 2.78Å; D47-T50 PolarHBondContact O-OG1 3.25Å; T50-L53 PolarHBondContact O-N 3.16Å; T50-A54 WeakPolarHBondContact O-CB 3.49Å; T50-A54 PolarHBondContact O-N 3.08Å
51R96.4Very high97.2Very high60 Ų6030.6 Ų30.623%0.22617%0.17CC..Hα-helixtrans-62.8-43172.8-172.8178-62.5-72-3.5112.5L4 T6 Y19 D47 L49 A54 A55L4-R51 HydrophobicContact CD1-CB 4.47Å; L4-R51 HydrophobicContact CD1-CG 3.28Å; T6-R51 PolarHBondContact OG1-NH1 3.33Å; T6-R51 PolarHBondContact OG1-NH2 3.27Å; Y19-R51 HydrophobicContact CD1-CB 4.27Å; Y19-R51 HydrophobicContact CE1-CB 4.24Å; D47-R51 WeakPolarHBondContact O-CB 3.5Å; D47-R51 PolarHBondContact O-N 3.3Å; D47-R51 IonicContact OD1-CZ 3.49Å; D47-R51 IonicContact OD1-NE 3.59Å; D47-R51 IonicContact OD1-NH2 3.2Å; D47-R51 PolarHBondContact OD1-NH2 3.27Å; D47-R51 IonicContact OD2-CZ 2.79Å; D47-R51 IonicContact OD2-NE 2.73Å; D47-R51 PolarHBondContact OD2-NE 2.98Å; D47-R51 IonicContact OD2-NH2 2.98Å; D47-R51 PolarHBondContact OD2-NH2 3.31Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-R51 PolarHBondContact O-N 3.05Å; R51-A54 PolarHBondContact O-N 2.96Å; R51-A55 WeakPolarHBondContact O-CB 3.24Å; R51-A55 PolarHBondContact O-N 3.48Å
52D96Very high97.3Very high39 Ų3927.4 Ų27.421%0.20916%0.156CC..Hα-helixtrans-70.8-39.3179.2-72.3-2.8000111A48 L49 A54 A55 E56 H307 R308A48-D52 WeakPolarHBondContact O-CB 3.41Å; A48-D52 VanDerWaalsContact O-CG 3.24Å; A48-D52 PolarHBondContact O-N 3.41Å; L49-D52 PolarHBondContact O-N 2.93Å; D52-A54 PolarHBondContact O-N 2.97Å; D52-A55 PolarHBondContact O-N 3.23Å; D52-E56 WeakPolarHBondContact O-CB 3.39Å; D52-E56 VanDerWaalsContact O-CG 3.23Å; D52-E56 WeakPolarHBondContact O-CG 3.39Å; D52-E56 PolarHBondContact O-N 3.34Å; D52-H307 IonicContact OD2-CD2 3.47Å; D52-H307 IonicContact OD2-NE2 3.22Å; D52-H307 PolarHBondContact OD2-NE2 3.4Å; D52-H307 VanDerWaalsContact OD2-NE2 3.07Å; D52-R308 IonicContact OD1-CZ 3.65Å; D52-R308 IonicContact OD1-NE 2.8Å; D52-R308 IonicContact OD1-NH2 3.56Å; D52-R308 PolarHBondContact OD1-NH2 3.2Å; D52-R308 IonicContact OD2-CZ 2.81Å; D52-R308 VanDerWaalsContact OD2-CZ 3.32Å; D52-R308 IonicContact OD2-NE 3.37Å; D52-R308 PolarHBondContact OD2-NE 3.45Å; D52-R308 IonicContact OD2-NH2 3.56Å; D52-R308 PolarHBondContact OD2-NH2 3.23Å
53L97.2Very high97.3Very high4 Ų424.6 Ų24.62%0.02114%0.141CC..Hα-helixtrans-58.2-45.9170.9-75.2169.9000112L30 F32 L49 T50 A55 E56 T57 I106 V317L30-L53 HydrophobicContact CD1-CB 4.25Å; F32-L53 HydrophobicContact CD2-CD1 3.83Å; F32-L53 HydrophobicContact CE2-CD1 3.89Å; L49-L53 HydrophobicContact CD1-CD1 4.28Å; L49-L53 HydrophobicContact CD1-CG 4.32Å; L49-L53 HydrophobicContact CG-CD1 4.14Å; L49-L53 WeakPolarHBondContact O-CB 3.16Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 2.88Å; T50-L53 PolarHBondContact O-N 3.16Å; L53-A55 VanDerWaalsContact C-N 3.34Å; L53-A55 PolarHBondContact O-N 3.06Å; L53-E56 PolarHBondContact O-N 2.79Å; L53-T57 WeakPolarHBondContact O-CB 3.15Å; L53-T57 WeakPolarHBondContact O-CG2 3.32Å; L53-T57 PolarHBondContact O-N 3.2Å; L53-T57 PolarHBondContact O-OG1 3.1Å; L53-I106 HydrophobicContact CD1-CD1 4.18Å; L53-I106 HydrophobicContact CD2-CD1 4.35Å; L53-V317 HydrophobicContact CD2-CG1 4.01Å; L53-V317 HydrophobicContact CG-CG1 4.45Å
54A97.3Very high97.3Very high0 Ų024.3 Ų24.30%014%0.139CC..Hα-helixtrans-60.9-42.7176.600000112T50 R51 D52 G58 T61T50-A54 WeakPolarHBondContact O-CB 3.49Å; T50-A54 PolarHBondContact O-N 3.08Å; R51-A54 PolarHBondContact O-N 2.96Å; D52-A54 PolarHBondContact O-N 2.97Å; A54-G58 WeakPolarHBondContact O-CA 3.37Å; A54-G58 PolarHBondContact O-N 3.27Å; A54-T61 WeakPolarHBondContact CA-OG1 3.23Å; A54-T61 HydrophobicContact CB-CG2 4.47Å; A54-T61 WeakPolarHBondContact CB-OG1 3.48Å
55A95.4Very high97.4Very high51 Ų5122.1 Ų22.142%0.42113%0.127SC..Hα-helixtrans-67.8-43.9179.300000112.7L4 R51 D52 L53L4-A55 HydrophobicContact CD1-CB 4.38Å; R51-A55 WeakPolarHBondContact O-CB 3.24Å; R51-A55 PolarHBondContact O-N 3.48Å; D52-A55 PolarHBondContact O-N 3.23Å; L53-A55 VanDerWaalsContact C-N 3.34Å; L53-A55 PolarHBondContact O-N 3.06Å
56E95.3Very high97.4Very high107 Ų10719.2 Ų19.250%0.511%0.106SC..Hα-helixtrans-75.2-37-176.5-68.8-67.1159.500112.3D52 L53 S321D52-E56 WeakPolarHBondContact O-CB 3.39Å; D52-E56 VanDerWaalsContact O-CG 3.23Å; D52-E56 WeakPolarHBondContact O-CG 3.39Å; D52-E56 PolarHBondContact O-N 3.34Å; L53-E56 PolarHBondContact O-N 2.79Å; E56-S321 WeakPolarHBondContact CB-OG 3.39Å
57T96.5Very high97.5Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-80.6-26.3175.656.50000113.1L30 L53 M59 I324L30-T57 HydrophobicContact CD1-CG2 3.99Å; L53-T57 WeakPolarHBondContact O-CB 3.15Å; L53-T57 WeakPolarHBondContact O-CG2 3.32Å; L53-T57 PolarHBondContact O-N 3.2Å; L53-T57 PolarHBondContact O-OG1 3.1Å; T57-M59 HydrophobicContact CG2-SD 4.48Å; T57-M59 PolarHBondContact O-N 3.25Å; T57-M59 PolarHBondContact OG1-N 3.04Å; T57-I324 HydrophobicContact CG2-CB 4.5Å; T57-I324 HydrophobicContact CG2-CG2 4.3Å
58G96.1Very high97.6Very high1 Ų122.6 Ų22.61%0.0112%0.119CC..  trans59.827.9-168.300000112.7R24 L25 S26 A54R24-G58 CarbonylContact C-O 3.58Å; R24-G58 VanDerWaalsContact CA-O 3.26Å; R24-G58 WeakPolarHBondContact CA-O 3.35Å; L25-G58 PolarHBondContact N-O 2.78Å; S26-G58 PolarHBondContact N-O 2.76Å; A54-G58 WeakPolarHBondContact O-CA 3.37Å; A54-G58 PolarHBondContact O-N 3.27Å
59M97.8Very high97.7Very high0 Ų020.9 Ų20.90%011%0.106CC..SBendtrans-105.5152.7176-70.716968.500110.8P21 A29 L30 T57 T61 V104 I324 V328P21-M59 WeakPolarHBondContact CD-O 3.36Å; P21-M59 WeakPolarHBondContact CG-O 3.47Å; A29-M59 VanDerWaalsContact N-CE 3.33Å; L30-M59 HydrophobicContact CD2-CE 3.53Å; L30-M59 HydrophobicContact CD2-SD 3.84Å; L30-M59 HydrophobicContact CG-CB 4.26Å; L30-M59 HydrophobicContact CG-CE 4.25Å; L30-M59 HydrophobicContact CG-SD 4.43Å; T57-M59 HydrophobicContact CG2-SD 4.48Å; T57-M59 PolarHBondContact O-N 3.25Å; T57-M59 PolarHBondContact OG1-N 3.04Å; M59-T61 PolarHBondContact O-N 2.98Å; M59-T61 PolarHBondContact O-OG1 2.77Å; M59-V104 HydrophobicContact CE-CG2 4.37Å; M59-I324 HydrophobicContact CE-CG2 4.32Å; M59-I324 HydrophobicContact SD-CG2 3.69Å; M59-V328 HydrophobicContact CE-CG1 4.41Å; M59-V328 HydrophobicContact CE-CG2 4.02Å; M59-V328 HydrophobicContact SD-CG2 4.4Å
60L98.2Very high97.7Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-55.8128.1166.1-179.674.2000108.3V18 E20 G28 A29 L30 V62 F88 F96 A98V18-L60 HydrophobicContact CG1-CD1 3.45Å; V18-L60 VanDerWaalsContact CG1-CD1 3.45Å; V18-L60 HydrophobicContact CG1-CG 4.23Å; E20-L60 HydrophobicContact CG-CD1 3.68Å; G28-L60 PolarHBondContact O-N 2.57Å; A29-L60 CarbonylContact C-O 3.59Å; A29-L60 WeakPolarHBondContact CA-O 3.31Å; A29-L60 HydrophobicContact CB-CB 4.11Å; A29-L60 HydrophobicContact CB-CD2 4.21Å; L30-L60 PolarHBondContact N-O 2.71Å; L60-V62 HydrophobicContact CD2-CG2 4.42Å; L60-V62 HydrophobicContact CG-CG2 4.49Å; L60-F88 HydrophobicContact CD2-CE2 3.77Å; L60-F88 HydrophobicContact CD2-CZ 3.85Å; L60-F96 HydrophobicContact CD1-CB 3.87Å; L60-F96 HydrophobicContact CD1-CD1 4.15Å; L60-F96 HydrophobicContact CD1-CG 4.08Å; L60-F96 HydrophobicContact CD2-CB 3.45Å; L60-F96 VanDerWaalsContact CD2-CB 3.45Å; L60-F96 HydrophobicContact CD2-CD2 4.19Å; L60-F96 HydrophobicContact CD2-CG 3.9Å; L60-F96 HydrophobicContact CG-CB 4.3Å; L60-A98 HydrophobicContact CD2-CB 3.81Å
61T98.6Very high97.7Very high0 Ų031.1 Ų31.10%016%0.16CC..EExtended strand (participates in β ladder)trans-121.5124179.4-60.90000109.9V18 Y19 L30 A54 M59V18-T61 CarbonylContact C-O 3.58Å; V18-T61 WeakPolarHBondContact CA-O 3.21Å; Y19-T61 HydrophobicContact CD2-CG2 4.36Å; Y19-T61 WeakPolarHBondContact CD2-O 3.25Å; Y19-T61 PolarHBondContact N-O 2.89Å; Y19-T61 PolarHBondContact O-N 2.73Å; L30-T61 HydrophobicContact CB-CG2 4.1Å; L30-T61 HydrophobicContact CD1-CG2 4.46Å; L30-T61 CarbonylContact O-C 3.59Å; L30-T61 WeakPolarHBondContact O-CA 3.44Å; A54-T61 WeakPolarHBondContact CA-OG1 3.23Å; A54-T61 HydrophobicContact CB-CG2 4.47Å; A54-T61 WeakPolarHBondContact CB-OG1 3.48Å; M59-T61 PolarHBondContact O-N 2.98Å; M59-T61 PolarHBondContact O-OG1 2.77Å
62V98.8Very high97.8Very high0 Ų032.1 Ų32.10%017%0.167CC..EExtended strand (participates in β ladder)trans-111113179.5-1780000107.9F11 V16 R17 V18 L30 I31 F32 L60 F88F11-V62 HydrophobicContact CD2-CG1 4.26Å; F11-V62 HydrophobicContact CE2-CB 4.47Å; F11-V62 HydrophobicContact CE2-CG1 3.66Å; F11-V62 HydrophobicContact CE2-CG2 4.11Å; F11-V62 HydrophobicContact CZ-CG1 4.32Å; F11-V62 HydrophobicContact CZ-CG2 4.37Å; V16-V62 HydrophobicContact CB-CG1 3.74Å; V16-V62 HydrophobicContact CG1-CG1 4.11Å; V16-V62 HydrophobicContact CG2-CG1 3.91Å; R17-V62 CarbonylContact O-C 3.56Å; V18-V62 HydrophobicContact CG2-CG1 4.43Å; V18-V62 HydrophobicContact CG2-CG2 4.24Å; L30-V62 PolarHBondContact O-N 2.82Å; I31-V62 CarbonylContact C-O 3.43Å; I31-V62 WeakPolarHBondContact CA-O 3.23Å; I31-V62 HydrophobicContact CG1-CB 4.44Å; F32-V62 PolarHBondContact N-O 2.81Å; L60-V62 HydrophobicContact CD2-CG2 4.42Å; L60-V62 HydrophobicContact CG-CG2 4.49Å; V62-F88 HydrophobicContact CG2-CD2 4.42Å; V62-F88 HydrophobicContact CG2-CE2 4.21Å
63S98.9Very high97.9Very high0 Ų033.9 Ų33.90%018%0.176CC..EExtended strand (participates in β ladder)trans-92.6120.2171.4-167.10000109.5V16 R17V16-S63 WeakPolarHBondContact CA-O 3.39Å; R17-S63 PolarHBondContact N-O 3.18Å; R17-S63 PolarHBondContact O-N 3.06Å
64V98.9Very high98Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-84.2129-178.6-177.40000110.2V14 V16 I31 F32 F33 H34 Y66 A84V14-V64 HydrophobicContact CG1-CG1 3.75Å; V16-V64 HydrophobicContact CG1-CB 4.43Å; V16-V64 HydrophobicContact CG1-CG1 4.36Å; V16-V64 HydrophobicContact CG1-CG2 4.13Å; I31-V64 HydrophobicContact CG2-CG2 3.71Å; F32-V64 PolarHBondContact O-N 2.89Å; F33-V64 HydrophobicContact CD1-CB 3.94Å; F33-V64 HydrophobicContact CD1-CG2 3.94Å; F33-V64 HydrophobicContact CE1-CB 4.1Å; F33-V64 HydrophobicContact CE1-CG2 3.69Å; H34-V64 PolarHBondContact CD2-O 2.93Å; V64-Y66 PolarHBondContact O-N 2.98Å; V64-A84 HydrophobicContact CG1-CB 3.93Å; V64-A84 HydrophobicContact CG2-CB 3.82Å
65N98.8Very high98Very high51 Ų5137.7 Ų37.727%0.27320%0.197SC..  trans-97.766.6176.3-158.642.2000109.5P15 N42 V43P15-N65 HydrophobicContact CB-CB 4.19Å; P15-N65 WeakPolarHBondContact O-CA 3.27Å; P15-N65 VanDerWaalsContact O-CB 3.23Å; P15-N65 WeakPolarHBondContact O-CB 3.22Å; P15-N65 PolarHBondContact O-N 2.75Å; N42-N65 VanDerWaalsContact CB-OD1 3.32Å; N42-N65 WeakPolarHBondContact CB-OD1 3.37Å; V43-N65 HydrophobicContact CG1-CB 3.57Å; V43-N65 HydrophobicContact CG2-CB 4.26Å; V43-N65 PolarHBondContact N-OD1 2.6Å
66Y98.9Very high98.2Very high5 Ų535.6 Ų35.62%0.0218%0.181CC..  trans-68.1154.2-176.862-100.7000111.2H34 V64 V68 A77 C81 L114H34-Y66 AromaticContact CD2-CE1 3.63Å; H34-Y66 AromaticContact CE1-CE1 3.68Å; H34-Y66 AromaticContact CE1-CE2 3.98Å; H34-Y66 AromaticContact CE1-CZ 3.38Å; H34-Y66 PolarHBondContact CE1-OH 2.95Å; H34-Y66 VanDerWaalsContact CE1-OH 3.28Å; H34-Y66 AromaticContact CG-CE1 3.88Å; H34-Y66 AromaticContact ND1-CE1 3.91Å; H34-Y66 AromaticContact ND1-CZ 3.7Å; H34-Y66 PolarHBondContact ND1-OH 3.14Å; H34-Y66 AromaticContact NE2-CD1 3.95Å; H34-Y66 AromaticContact NE2-CE1 3.52Å; H34-Y66 AromaticContact NE2-CZ 3.68Å; H34-Y66 PolarHBondContact O-OH 3.02Å; V64-Y66 PolarHBondContact O-N 2.98Å; Y66-V68 HydrophobicContact CD2-CG1 4.27Å; Y66-V68 HydrophobicContact CE2-CG1 3.85Å; Y66-A77 HydrophobicContact CD2-CB 3.46Å; Y66-A77 VanDerWaalsContact CD2-CB 3.46Å; Y66-A77 HydrophobicContact CE2-CB 3.88Å; Y66-A77 HydrophobicContact CG-CB 4.21Å; Y66-C81 VanDerWaalsContact CD1-SG 3.6Å; Y66-L114 HydrophobicContact CD1-CD1 3.94Å; Y66-L114 HydrophobicContact CD2-CD1 4.45Å; Y66-L114 HydrophobicContact CE1-CD1 3.52Å; Y66-L114 HydrophobicContact CE2-CD1 4.11Å; Y66-L114 HydrophobicContact CG-CD1 4.39Å
67R98.8Very high98.4Very high83 Ų8330.5 Ų30.531%0.31316%0.157SC..  trans-65.8134.4176.9-74.9173.7-68.6156.63.5111.9H72 A76 E79 D80R67-H72 HydrophobicContact CB-CB 3.64Å; R67-H72 HydrophobicContact CG-CB 4.41Å; R67-A76 HydrophobicContact CB-CB 4.34Å; R67-E79 IonicContact NH2-OE2 2.71Å; R67-D80 VanDerWaalsContact CB-OD2 3.27Å; R67-D80 WeakPolarHBondContact CB-OD2 3.48Å; R67-D80 VanDerWaalsContact CG-OD2 3.23Å; R67-D80 WeakPolarHBondContact CG-OD2 3.42Å; R67-D80 IonicContact CZ-OD1 2.9Å; R67-D80 IonicContact CZ-OD2 2.72Å; R67-D80 PolarHBondContact N-OD2 3.12Å; R67-D80 IonicContact NE-OD1 3.92Å; R67-D80 PolarHBondContact NE-OD1 3.03Å; R67-D80 IonicContact NE-OD2 3.83Å; R67-D80 PolarHBondContact NE-OD2 3.21Å; R67-D80 IonicContact NH2-OD1 2.84Å; R67-D80 PolarHBondContact NH2-OD1 3.31Å; R67-D80 IonicContact NH2-OD2 3.99Å
68V98.7Very high98.5Very high33 Ų3330.7 Ų30.720%0.216%0.158CC..  trans-106.8157.6180-63.10000112F38 Y66 H72F38-V68 WeakPolarHBondContact O-CA 3.32Å; F38-V68 WeakPolarHBondContact O-CB 3.38Å; Y66-V68 HydrophobicContact CD2-CG1 4.27Å; Y66-V68 HydrophobicContact CE2-CG1 3.85Å; V68-H72 CarbonylContact C-O 3.56Å; V68-H72 PolarHBondContact O-N 2.96Å
69A98.7Very high98.6Very high0 Ų034.6 Ų34.60%018%0.176CC..THydrogen-bonded Turntrans-80.4157.6169.900000111.2F38 V39 H72 L73 Y176F38-A69 PolarHBondContact O-N 3.44Å; V39-A69 WeakPolarHBondContact CA-O 3.4Å; V39-A69 WeakPolarHBondContact CG1-O 3.23Å; V39-A69 HydrophobicContact CG2-CB 4.06Å; A69-H72 PolarHBondContact N-O 2.89Å; A69-L73 HydrophobicContact CB-CD2 4.22Å; A69-Y176 HydrophobicContact CB-CD2 3.96Å
70P97.9Very high98.7Very high80 Ų8034.8 Ų34.852%0.51918%0.177SC..THydrogen-bonded Turncis-81.8-105.433.7-37.6000115.4H72 T175P70-H72 PolarHBondContact O-N 3.18Å; P70-T175 HydrophobicContact CB-CG2 4.25Å
71E98.4Very high98.7Very high139 Ų13934.9 Ų34.965%0.6518%0.177SC*.THydrogen-bonded Turntrans-62.7-34.3-177.9-66.476.4-170.300111.8
72H98.7Very high98.7Very high82 Ų8235.7 Ų35.738%0.3818%0.181SC..SBendtrans-13699.4178.2-57.6-66.1000110.9R67 V68 A69 P70 A76R67-H72 HydrophobicContact CB-CB 3.64Å; R67-H72 HydrophobicContact CG-CB 4.41Å; V68-H72 CarbonylContact C-O 3.56Å; V68-H72 PolarHBondContact O-N 2.96Å; A69-H72 PolarHBondContact N-O 2.89Å; P70-H72 PolarHBondContact O-N 3.18Å; H72-A76 HydrophobicContact CB-CB 3.73Å
73L98.5Very high98.7Very high75 Ų7540 Ų4039%0.39320%0.197SC..  trans-70168.1-178.9-54179000112.4A69 A76 T175 Y176A69-L73 HydrophobicContact CB-CD2 4.22Å; L73-A76 VanDerWaalsContact O-CB 3.24Å; L73-A76 WeakPolarHBondContact O-CB 3.34Å; L73-A76 PolarHBondContact O-N 3.07Å; L73-T175 WeakPolarHBondContact CD2-O 3.47Å; L73-Y176 WeakPolarHBondContact CA-O 3.32Å
74F98.5Very high98.7Very high37 Ų3740 Ų4016%0.16220%0.197CC..THydrogen-bonded Turntrans-48132.7167.3173.1-98.7000111.3V78 Y176 L177 L243 N248 F249F74-V78 HydrophobicContact CE2-CG2 4.36Å; F74-Y176 HydrophobicContact CB-CD1 4.24Å; F74-Y176 HydrophobicContact CB-CD2 4.37Å; F74-Y176 HydrophobicContact CB-CE1 3.87Å; F74-Y176 HydrophobicContact CB-CE2 3.99Å; F74-Y176 HydrophobicContact CB-CG 4.49Å; F74-Y176 AromaticContact CD2-CE1 3.84Å; F74-Y176 HydrophobicContact CD2-CE1 3.84Å; F74-Y176 AromaticContact CD2-CZ 3.87Å; F74-Y176 HydrophobicContact CG-CE1 4.3Å; F74-Y176 PolarHBondContact N-O 3.41Å; F74-L177 HydrophobicContact CB-CD2 3.94Å; F74-L177 HydrophobicContact CD1-CD2 4.22Å; F74-L177 HydrophobicContact CG-CD2 4.08Å; F74-L243 HydrophobicContact CD1-CD2 4.06Å; F74-L243 HydrophobicContact CE1-CD2 3.98Å; F74-N248 HydrophobicContact CE2-CB 4.02Å; F74-N248 HydrophobicContact CZ-CB 4.02Å; F74-F249 HydrophobicContact CD2-CB 4.22Å; F74-F249 HydrophobicContact CE2-CB 3.71Å; F74-F249 HydrophobicContact CZ-CB 4.01Å
75P98.3Very high98.7Very high47 Ų4740 Ų4031%0.30520%0.197SC..THydrogen-bonded Turncis-100.826.78.739.9-36.5000115.5A77 V78 E79P75-A77 PolarHBondContact O-N 3.48Å; P75-V78 HydrophobicContact CB-CB 4.33Å; P75-V78 WeakPolarHBondContact O-CA 3.39Å; P75-V78 WeakPolarHBondContact O-CB 3.49Å; P75-V78 PolarHBondContact O-N 3.48Å; P75-E79 HydrophobicContact CG-CG 4.35Å; P75-E79 PolarHBondContact O-N 2.8Å
76A98.8Very high98.7Very high8 Ų838.3 Ų38.37%0.06619%0.189CC..Hα-helixtrans-54.7-44.6-171.200000114.6R67 H72 L73 V78 E79 D80R67-A76 HydrophobicContact CB-CB 4.34Å; H72-A76 HydrophobicContact CB-CB 3.73Å; L73-A76 VanDerWaalsContact O-CB 3.24Å; L73-A76 WeakPolarHBondContact O-CB 3.34Å; L73-A76 PolarHBondContact O-N 3.07Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 3.49Å; A76-E79 PolarHBondContact O-N 3.22Å; A76-D80 PolarHBondContact O-N 2.72Å
77A98.9Very high98.7Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-62.4-38.2177.500000112.5F38 Y66 P75 C81 L114 Y176F38-A77 HydrophobicContact CD1-CB 4.45Å; Y66-A77 HydrophobicContact CD2-CB 3.46Å; Y66-A77 VanDerWaalsContact CD2-CB 3.46Å; Y66-A77 HydrophobicContact CE2-CB 3.88Å; Y66-A77 HydrophobicContact CG-CB 4.21Å; P75-A77 PolarHBondContact O-N 3.48Å; A77-C81 WeakPolarHBondContact O-CB 3.46Å; A77-C81 PolarHBondContact O-N 3.41Å; A77-C81 PolarHBondContact O-SG 3.44Å; A77-L114 HydrophobicContact CB-CD1 4.49Å; A77-L114 HydrophobicContact CB-CD2 4.17Å; A77-Y176 HydrophobicContact CB-CE2 4.28Å
78V98.9Very high98.7Very high3 Ų335 Ų352%0.01818%0.177CC..Hα-helixtrans-64.6-46.4177172.70000110.5F74 P75 A76 E82 L114 V117 N248F74-V78 HydrophobicContact CE2-CG2 4.36Å; P75-V78 HydrophobicContact CB-CB 4.33Å; P75-V78 WeakPolarHBondContact O-CA 3.39Å; P75-V78 WeakPolarHBondContact O-CB 3.49Å; P75-V78 PolarHBondContact O-N 3.48Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 3.49Å; V78-E82 WeakPolarHBondContact O-CB 3.44Å; V78-E82 PolarHBondContact O-N 2.86Å; V78-L114 HydrophobicContact CG2-CD2 3.98Å; V78-V117 HydrophobicContact CB-CG1 4.45Å; V78-V117 HydrophobicContact CG1-CG1 3.53Å; V78-V117 HydrophobicContact CG2-CG1 4.13Å; V78-N248 HydrophobicContact CG1-CB 4.44Å; V78-N248 WeakPolarHBondContact CG2-O 3.35Å
79E98.8Very high98.7Very high84 Ų8433.6 Ų33.639%0.39317%0.168SC..Hα-helixtrans-62.5-43.7178.7-67.4175.516500111.7R67 P75 A76 R83R67-E79 IonicContact NH2-OE2 2.71Å; P75-E79 HydrophobicContact CG-CG 4.35Å; P75-E79 PolarHBondContact O-N 2.8Å; A76-E79 PolarHBondContact O-N 3.22Å; E79-R83 WeakPolarHBondContact O-CB 3.43Å; E79-R83 VanDerWaalsContact O-CG 3.22Å; E79-R83 WeakPolarHBondContact O-CG 3.43Å; E79-R83 PolarHBondContact O-N 3Å
80D98.9Very high98.7Very high4 Ų439.5 Ų39.52%0.02119%0.19CC..Hα-helixtrans-66.9-45.6180-73.4-8.6000112.1V14 R67 A76 E82 R83 A84V14-D80 HydrophobicContact CG1-CB 3.96Å; V14-D80 HydrophobicContact CG2-CB 4Å; R67-D80 VanDerWaalsContact CB-OD2 3.27Å; R67-D80 WeakPolarHBondContact CB-OD2 3.48Å; R67-D80 VanDerWaalsContact CG-OD2 3.23Å; R67-D80 WeakPolarHBondContact CG-OD2 3.42Å; R67-D80 IonicContact CZ-OD1 2.9Å; R67-D80 IonicContact CZ-OD2 2.72Å; R67-D80 PolarHBondContact N-OD2 3.12Å; R67-D80 IonicContact NE-OD1 3.92Å; R67-D80 PolarHBondContact NE-OD1 3.03Å; R67-D80 IonicContact NE-OD2 3.83Å; R67-D80 PolarHBondContact NE-OD2 3.21Å; R67-D80 IonicContact NH2-OD1 2.84Å; R67-D80 PolarHBondContact NH2-OD1 3.31Å; R67-D80 IonicContact NH2-OD2 3.99Å; A76-D80 PolarHBondContact O-N 2.72Å; D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 2.92Å; D80-R83 PolarHBondContact O-N 3.38Å; D80-R83 IonicContact OD1-NH1 2.88Å; D80-A84 WeakPolarHBondContact O-CB 3.4Å; D80-A84 PolarHBondContact O-N 3.01Å
81C98.9Very high98.7Very high1 Ų142.3 Ų42.31%0.00719%0.191CC..Hα-helixtrans-62.1-42.1178-70.90000111.6F33 Y66 A77 V85 L114F33-C81 HydrophobicContact CD1-CB 4.18Å; F33-C81 HydrophobicContact CE1-CB 3.7Å; F33-C81 HydrophobicContact CE2-CB 4.12Å; F33-C81 HydrophobicContact CZ-CB 3.66Å; Y66-C81 VanDerWaalsContact CD1-SG 3.6Å; A77-C81 WeakPolarHBondContact O-CB 3.46Å; A77-C81 PolarHBondContact O-N 3.41Å; A77-C81 PolarHBondContact O-SG 3.44Å; C81-V85 VanDerWaalsContact O-CG2 3.28Å; C81-V85 WeakPolarHBondContact O-CG2 3.39Å; C81-V85 PolarHBondContact O-N 3.49Å; C81-V85 VanDerWaalsContact O-N 3.07Å; C81-L114 HydrophobicContact CB-CD2 4.49Å
82E98.8Very high98.6Very high18 Ų1835.7 Ų35.78%0.08416%0.16CC..Hα-helixtrans-63.5-48.5174.3174175.586.500112.4V78 D80 A84 V85 V86 R121 R124V78-E82 WeakPolarHBondContact O-CB 3.44Å; V78-E82 PolarHBondContact O-N 2.86Å; D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 2.92Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.78Å; E82-V85 PolarHBondContact O-N 3.07Å; E82-V86 HydrophobicContact CG-CG2 3.97Å; E82-V86 WeakPolarHBondContact O-CB 3.23Å; E82-V86 VanDerWaalsContact O-CG2 3.3Å; E82-V86 WeakPolarHBondContact O-CG2 3.5Å; E82-V86 PolarHBondContact O-N 2.86Å; E82-R121 VanDerWaalsContact CD-NE 3.34Å; E82-R121 IonicContact OE1-CZ 3.49Å; E82-R121 IonicContact OE1-NE 3.94Å; E82-R121 IonicContact OE1-NH2 3.49Å; E82-R121 PolarHBondContact OE1-NH2 3.49Å; E82-R121 WeakPolarHBondContact OE2-CB 3.47Å; E82-R121 IonicContact OE2-CZ 2.72Å; E82-R121 IonicContact OE2-NE 3.93Å; E82-R121 PolarHBondContact OE2-NE 2.86Å; E82-R121 IonicContact OE2-NH2 3.85Å; E82-R121 PolarHBondContact OE2-NH2 2.96Å; E82-R124 IonicContact OE1-CZ 3.65Å; E82-R124 IonicContact OE1-NH1 2.98Å; E82-R124 IonicContact OE1-NH2 3.16Å; E82-R124 PolarHBondContact OE1-NH2 2.82Å; E82-R124 IonicContact OE2-CZ 3.77Å; E82-R124 IonicContact OE2-NH1 3.01Å; E82-R124 PolarHBondContact OE2-NH1 3.34Å; E82-R124 IonicContact OE2-NH2 3.66Å; E82-R124 PolarHBondContact OE2-NH2 2.83Å
83R98.8Very high98.6Very high91 Ų9134.4 Ų34.434%0.34315%0.152SC..Hα-helixtrans-57.6-44.5179.3-77.5170.669.3-165.311.5111.2D12 V14 E79 D80 V86 H87D12-R83 PolarHBondContact O-NE 3.14Å; D12-R83 PolarHBondContact O-NH2 3.45Å; D12-R83 IonicContact OD2-CZ 3.56Å; D12-R83 IonicContact OD2-NE 3.54Å; D12-R83 PolarHBondContact OD2-NE 3.28Å; D12-R83 IonicContact OD2-NH2 2.89Å; V14-R83 HydrophobicContact CG2-CB 3.92Å; E79-R83 WeakPolarHBondContact O-CB 3.43Å; E79-R83 VanDerWaalsContact O-CG 3.22Å; E79-R83 WeakPolarHBondContact O-CG 3.43Å; E79-R83 PolarHBondContact O-N 3Å; D80-R83 PolarHBondContact O-N 3.38Å; D80-R83 IonicContact OD1-NH1 2.88Å; R83-V86 PolarHBondContact O-N 3.47Å; R83-H87 WeakPolarHBondContact O-CB 3.38Å; R83-H87 PolarHBondContact O-N 3.45Å
84A98.9Very high98.5Very high0 Ų036.7 Ų36.70%016%0.159CC..Hα-helixtrans-59.9-46.6176.200000112F11 V14 V16 V64 D80 E82 F88F11-A84 HydrophobicContact CB-CB 4.37Å; V14-A84 HydrophobicContact CB-CB 4.44Å; V14-A84 HydrophobicContact CG1-CB 4.31Å; V16-A84 HydrophobicContact CG1-CB 4.4Å; V64-A84 HydrophobicContact CG1-CB 3.93Å; V64-A84 HydrophobicContact CG2-CB 3.82Å; D80-A84 WeakPolarHBondContact O-CB 3.4Å; D80-A84 PolarHBondContact O-N 3.01Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.78Å; A84-F88 WeakPolarHBondContact O-CB 3.49Å; A84-F88 PolarHBondContact O-N 3.03Å
85V98.9Very high98.5Very high0 Ų040.5 Ų40.50%018%0.181CC..Hα-helixtrans-65.9-48.2178.5175.90000111.7I31 F33 C81 E82 H87 F88 L89 L105 L122 I131I31-V85 HydrophobicContact CD1-CB 4.38Å; I31-V85 HydrophobicContact CD1-CG1 4.38Å; I31-V85 HydrophobicContact CD1-CG2 3.96Å; I31-V85 HydrophobicContact CG2-CG2 4.08Å; F33-V85 HydrophobicContact CE1-CG2 4.27Å; F33-V85 HydrophobicContact CZ-CG2 3.63Å; C81-V85 VanDerWaalsContact O-CG2 3.28Å; C81-V85 WeakPolarHBondContact O-CG2 3.39Å; C81-V85 PolarHBondContact O-N 3.49Å; C81-V85 VanDerWaalsContact O-N 3.07Å; E82-V85 PolarHBondContact O-N 3.07Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 3.04Å; V85-F88 PolarHBondContact O-N 2.89Å; V85-L89 HydrophobicContact CG1-CD1 3.71Å; V85-L89 HydrophobicContact CG1-CG 4.16Å; V85-L89 WeakPolarHBondContact O-CB 3.33Å; V85-L89 VanDerWaalsContact O-CG 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.3Å; V85-L105 HydrophobicContact CG1-CD2 4.25Å; V85-L105 HydrophobicContact CG2-CD1 4.31Å; V85-L105 HydrophobicContact CG2-CD2 3.77Å; V85-L122 HydrophobicContact CG1-CD1 3.78Å; V85-L122 HydrophobicContact CG1-CD2 4.35Å; V85-I131 HydrophobicContact CG1-CD1 4.18Å
86V98.8Very high98.4Very high15 Ų1539.2 Ų39.29%0.09117%0.171CC..Hα-helixtrans-61.7-43179.7171.80000110.7E82 R83 L89 R90 L122 F125 L128E82-V86 HydrophobicContact CG-CG2 3.97Å; E82-V86 WeakPolarHBondContact O-CB 3.23Å; E82-V86 VanDerWaalsContact O-CG2 3.3Å; E82-V86 WeakPolarHBondContact O-CG2 3.5Å; E82-V86 PolarHBondContact O-N 2.86Å; R83-V86 PolarHBondContact O-N 3.47Å; V86-L89 PolarHBondContact O-N 3.31Å; V86-R90 HydrophobicContact CG1-CG 4.45Å; V86-R90 WeakPolarHBondContact O-CB 3.36Å; V86-R90 VanDerWaalsContact O-CG 3.32Å; V86-R90 WeakPolarHBondContact O-CG 3.36Å; V86-R90 PolarHBondContact O-N 3.45Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; V86-F125 HydrophobicContact CG2-CE2 3.95Å; V86-F125 HydrophobicContact CG2-CZ 3.98Å; V86-L128 HydrophobicContact CG1-CD1 4.34Å; V86-L128 HydrophobicContact CG2-CD1 3.95Å
87H98.8Very high98.2Very high19 Ų1945.3 Ų45.39%0.08820%0.202CC..Hα-helixtrans-59.8-48.8174.5179.5107.8000111.3F11 D12 R83 V85 L89 R90 R91 G92F11-H87 HydrophobicContact CB-CB 3.99Å; F11-H87 AromaticContact CD1-CD2 3.63Å; F11-H87 AromaticContact CD1-NE2 3.78Å; F11-H87 AromaticContact CG-CD2 3.58Å; D12-H87 HydrophobicContact CB-CB 3.97Å; D12-H87 PolarHBondContact N-CE1 3.25Å; D12-H87 PolarHBondContact N-ND1 3.15Å; R83-H87 WeakPolarHBondContact O-CB 3.38Å; R83-H87 PolarHBondContact O-N 3.45Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 3.04Å; H87-L89 PolarHBondContact O-N 3.26Å; H87-R90 PolarHBondContact O-N 3.26Å; H87-R91 PolarHBondContact CE1-NE 3.23Å; H87-R91 PolarHBondContact CE1-NH2 3.49Å; H87-R91 PolarHBondContact O-N 3.28Å; H87-G92 PolarHBondContact O-N 3.41Å
88F98.8Very high98.2Very high0 Ų045.9 Ų45.90%021%0.206CC..Iπ-helixtrans-59-49.6-180-173.9-96.3000110.9F11 A29 I31 L60 V62 A84 V85 R90 R91 G92 Y93 A98 V103F11-F88 HydrophobicContact CD2-CB 4.15Å; F11-F88 HydrophobicContact CD2-CD2 4.43Å; F11-F88 HydrophobicContact CE2-CB 3.96Å; F11-F88 AromaticContact CE2-CD2 3.45Å; F11-F88 HydrophobicContact CE2-CD2 3.45Å; F11-F88 VanDerWaalsContact CE2-CD2 3.45Å; F11-F88 HydrophobicContact CE2-CE2 4.39Å; F11-F88 HydrophobicContact CE2-CG 4.14Å; F11-F88 AromaticContact CZ-CD2 3.76Å; F11-F88 HydrophobicContact CZ-CD2 3.76Å; F11-F88 HydrophobicContact CZ-CE2 4.41Å; A29-F88 HydrophobicContact CB-CE1 3.66Å; A29-F88 HydrophobicContact CB-CZ 3.44Å; A29-F88 VanDerWaalsContact CB-CZ 3.44Å; I31-F88 HydrophobicContact CD1-CB 3.91Å; I31-F88 HydrophobicContact CD1-CD1 3.83Å; I31-F88 HydrophobicContact CD1-CG 3.95Å; L60-F88 HydrophobicContact CD2-CE2 3.77Å; L60-F88 HydrophobicContact CD2-CZ 3.85Å; V62-F88 HydrophobicContact CG2-CD2 4.42Å; V62-F88 HydrophobicContact CG2-CE2 4.21Å; A84-F88 WeakPolarHBondContact O-CB 3.49Å; A84-F88 PolarHBondContact O-N 3.03Å; V85-F88 PolarHBondContact O-N 2.89Å; F88-R90 VanDerWaalsContact C-N 3.35Å; F88-R90 PolarHBondContact O-N 2.68Å; F88-R91 PolarHBondContact O-N 2.94Å; F88-G92 PolarHBondContact O-N 2.89Å; F88-G92 VanDerWaalsContact O-N 3.12Å; F88-Y93 VanDerWaalsContact O-CD1 3.25Å; F88-Y93 WeakPolarHBondContact O-CD1 3.36Å; F88-Y93 PolarHBondContact O-N 2.87Å; F88-A98 HydrophobicContact CZ-CB 4.09Å; F88-V103 HydrophobicContact CD1-CG1 4.48Å; F88-V103 HydrophobicContact CD1-CG2 4.03Å; F88-V103 HydrophobicContact CE1-CG2 3.64Å
89L98.6Very high98.1Very high2 Ų247.9 Ų47.91%0.0122%0.217CC..Iπ-helixtrans-64.7-32.8-178.9-70.3176.1000113.7V85 V86 H87 Y93 V103 L122 L128 P129 I131V85-L89 HydrophobicContact CG1-CD1 3.71Å; V85-L89 HydrophobicContact CG1-CG 4.16Å; V85-L89 WeakPolarHBondContact O-CB 3.33Å; V85-L89 VanDerWaalsContact O-CG 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.3Å; V86-L89 PolarHBondContact O-N 3.31Å; H87-L89 PolarHBondContact O-N 3.26Å; L89-Y93 WeakPolarHBondContact O-CE1 3.35Å; L89-V103 HydrophobicContact CD2-CB 4.08Å; L89-V103 HydrophobicContact CD2-CG1 4.34Å; L89-V103 HydrophobicContact CD2-CG2 3.78Å; L89-L122 HydrophobicContact CD1-CD2 4.46Å; L89-L128 HydrophobicContact CB-CD2 4.33Å; L89-L128 HydrophobicContact CD1-CB 4.4Å; L89-L128 HydrophobicContact CD1-CD1 4.35Å; L89-P129 HydrophobicContact CD2-CB 4.43Å; L89-I131 HydrophobicContact CD1-CD1 3.97Å; L89-I131 HydrophobicContact CD2-CD1 4.35Å
90R98.3Very high98Very high124 Ų12444 Ų4447%0.46820%0.2SC..Iπ-helixtrans-77.4-41.9178.3-75.8-179.3166.9165.2-2.3112.9V86 H87 F88 D127 L128V86-R90 HydrophobicContact CG1-CG 4.45Å; V86-R90 WeakPolarHBondContact O-CB 3.36Å; V86-R90 VanDerWaalsContact O-CG 3.32Å; V86-R90 WeakPolarHBondContact O-CG 3.36Å; V86-R90 PolarHBondContact O-N 3.45Å; H87-R90 PolarHBondContact O-N 3.26Å; F88-R90 VanDerWaalsContact C-N 3.35Å; F88-R90 PolarHBondContact O-N 2.68Å; R90-D127 IonicContact CZ-OD2 3.93Å; R90-D127 IonicContact NE-OD2 2.69Å; R90-D127 IonicContact NH2-OD1 2.82Å; R90-D127 IonicContact NH2-OD2 2.9Å; R90-D127 PolarHBondContact NH2-OD2 3.08Å; R90-L128 HydrophobicContact CG-CD2 3.49Å; R90-L128 VanDerWaalsContact CG-CD2 3.49Å
91R97.9Very high98Very high139 Ų13948.2 Ų48.253%0.52522%0.222SC..Iπ-helixtrans-151.1-34.4-171.362.2-178.6-177.3-179.3-0115.4H87 F88 Y93 K94H87-R91 PolarHBondContact CE1-NE 3.23Å; H87-R91 PolarHBondContact CE1-NH2 3.49Å; H87-R91 PolarHBondContact O-N 3.28Å; F88-R91 PolarHBondContact O-N 2.94Å; R91-Y93 PolarHBondContact O-N 2.95Å; R91-Y93 VanDerWaalsContact O-N 3.12Å; R91-K94 VanDerWaalsContact O-CB 3.32Å; R91-K94 WeakPolarHBondContact O-CB 3.28Å; R91-K94 WeakPolarHBondContact O-CG 3.39Å; R91-K94 PolarHBondContact O-N 2.77Å
92G97.1Very high97.9Very high0 Ų049.9 Ų49.90%023%0.229CC..Iπ-helixtrans-58.9-30.7-171.200000113.6H87 F88 K94 D95 F96H87-G92 PolarHBondContact O-N 3.41Å; F88-G92 PolarHBondContact O-N 2.89Å; F88-G92 VanDerWaalsContact O-N 3.12Å; G92-K94 PolarHBondContact O-N 2.91Å; G92-K94 VanDerWaalsContact O-N 3.14Å; G92-D95 PolarHBondContact O-N 3.35Å; G92-F96 WeakPolarHBondContact O-CD2 3.36Å
93Y97.7Very high97.9Very high56 Ų5649 Ų4922%0.2223%0.225CC..Hα-helixtrans-57.1-29.217572.3-95.3000113.9F88 L89 R91 F96 N97 A98 A100F88-Y93 VanDerWaalsContact O-CD1 3.25Å; F88-Y93 WeakPolarHBondContact O-CD1 3.36Å; F88-Y93 PolarHBondContact O-N 2.87Å; L89-Y93 WeakPolarHBondContact O-CE1 3.35Å; R91-Y93 PolarHBondContact O-N 2.95Å; R91-Y93 VanDerWaalsContact O-N 3.12Å; Y93-F96 PolarHBondContact O-N 2.99Å; Y93-N97 PolarHBondContact O-N 2.98Å; Y93-A98 VanDerWaalsContact CD2-O 3.26Å; Y93-A98 WeakPolarHBondContact CD2-O 3.24Å; Y93-A98 PolarHBondContact O-N 2.87Å; Y93-A100 HydrophobicContact CD1-CB 3.5Å; Y93-A100 HydrophobicContact CD2-CB 4.22Å; Y93-A100 HydrophobicContact CE1-CB 3.58Å; Y93-A100 HydrophobicContact CE2-CB 4.27Å; Y93-A100 HydrophobicContact CG-CB 3.85Å
94K97.9Very high97.9Very high122 Ų12244.7 Ų44.753%0.5321%0.209SC..Hα-helixtrans-69.7-39.5-176.7-62.3178.8-178175.70111.6R91 G92 F96 N97R91-K94 VanDerWaalsContact O-CB 3.32Å; R91-K94 WeakPolarHBondContact O-CB 3.28Å; R91-K94 WeakPolarHBondContact O-CG 3.39Å; R91-K94 PolarHBondContact O-N 2.77Å; G92-K94 PolarHBondContact O-N 2.91Å; G92-K94 VanDerWaalsContact O-N 3.14Å; K94-F96 PolarHBondContact O-N 2.93Å; K94-F96 VanDerWaalsContact O-N 3.14Å; K94-N97 PolarHBondContact O-N 3.32Å; K94-N97 VanDerWaalsContact O-N 3.15Å
95D97Very high97.9Very high118 Ų11844.7 Ų44.763%0.63121%0.209SC*.Hα-helixtrans-63.8-22.9-177.7-58.7-28.6000111.8G92G92-D95 PolarHBondContact O-N 3.35Å
96F96.4Very high97.9Very high20 Ų2044.7 Ų44.79%0.08821%0.209CC..THydrogen-bonded Turntrans-11414.2-179.7-57.9-78000113.5V9 F11 V18 R24 L60 G92 Y93 K94 A98V9-F96 HydrophobicContact CG2-CZ 4.21Å; F11-F96 AromaticContact CE1-CE2 3.92Å; F11-F96 HydrophobicContact CE1-CE2 3.92Å; F11-F96 AromaticContact CZ-CE2 3.86Å; F11-F96 HydrophobicContact CZ-CE2 3.86Å; V18-F96 HydrophobicContact CB-CE1 4.18Å; V18-F96 HydrophobicContact CB-CZ 4.29Å; V18-F96 HydrophobicContact CG1-CD1 3.93Å; V18-F96 HydrophobicContact CG1-CE1 3.72Å; V18-F96 HydrophobicContact CG1-CG 4.47Å; V18-F96 HydrophobicContact CG1-CZ 4.11Å; V18-F96 HydrophobicContact CG2-CE1 4.23Å; V18-F96 HydrophobicContact CG2-CE2 4.31Å; V18-F96 HydrophobicContact CG2-CZ 3.83Å; R24-F96 VanDerWaalsContact CZ-O 3.22Å; R24-F96 PolarHBondContact NH1-O 3.21Å; R24-F96 PolarHBondContact NH2-O 3.32Å; L60-F96 HydrophobicContact CD1-CB 3.87Å; L60-F96 HydrophobicContact CD1-CD1 4.15Å; L60-F96 HydrophobicContact CD1-CG 4.08Å; L60-F96 HydrophobicContact CD2-CB 3.45Å; L60-F96 VanDerWaalsContact CD2-CB 3.45Å; L60-F96 HydrophobicContact CD2-CD2 4.19Å; L60-F96 HydrophobicContact CD2-CG 3.9Å; L60-F96 HydrophobicContact CG-CB 4.3Å; G92-F96 WeakPolarHBondContact O-CD2 3.36Å; Y93-F96 PolarHBondContact O-N 2.99Å; K94-F96 PolarHBondContact O-N 2.93Å; K94-F96 VanDerWaalsContact O-N 3.14Å; F96-A98 PolarHBondContact O-N 2.94Å; F96-A98 VanDerWaalsContact O-N 3.1Å
97N95.5Very high97.9Very high136 Ų13644 Ų4473%0.72720%0.204SC*.THydrogen-bonded Turntrans48.339.6-177.1-60.5-59.5000113.4R24 Y93 K94R24-N97 PolarHBondContact NH1-O 2.84Å; Y93-N97 PolarHBondContact O-N 2.98Å; K94-N97 PolarHBondContact O-N 3.32Å; K94-N97 VanDerWaalsContact O-N 3.15Å
98A97.7Very high97.9Very high11 Ų1143 Ų439%0.09120%0.2CC..  trans-96.9173175.500000110.8D27 A29 L60 F88 Y93 F96D27-A98 CarbonylContact O-C 3.57Å; D27-A98 VanDerWaalsContact O-CA 3.27Å; D27-A98 WeakPolarHBondContact O-CA 3.35Å; A29-A98 HydrophobicContact CB-CB 4.36Å; L60-A98 HydrophobicContact CD2-CB 3.81Å; F88-A98 HydrophobicContact CZ-CB 4.09Å; Y93-A98 VanDerWaalsContact CD2-O 3.26Å; Y93-A98 WeakPolarHBondContact CD2-O 3.24Å; Y93-A98 PolarHBondContact O-N 2.87Å; F96-A98 PolarHBondContact O-N 2.94Å; F96-A98 VanDerWaalsContact O-N 3.1Å
99N97.7Very high97.9Very high45 Ų4543.5 Ų43.524%0.24120%0.203CC..  trans-113.5115.7-177.8-173.9-21.8000111D27 N101 K102D27-N99 HydrophobicContact CB-CB 4.29Å; D27-N99 WeakPolarHBondContact O-CB 3.33Å; D27-N99 PolarHBondContact O-N 3.06Å; D27-N99 VanDerWaalsContact OD2-CB 3.24Å; D27-N99 WeakPolarHBondContact OD2-CB 3.38Å; D27-N99 PolarHBondContact OD2-ND2 3.48Å; N99-N101 PolarHBondContact O-N 3.01Å; N99-N101 VanDerWaalsContact O-N 3.12Å; N99-N101 PolarHBondContact OD1-N 3.23Å; N99-K102 HydrophobicContact CB-CB 4.24Å; N99-K102 HydrophobicContact CB-CD 4.34Å; N99-K102 HydrophobicContact CB-CG 4.46Å; N99-K102 PolarHBondContact O-N 3.02Å
100A97.4Very high97.9Very high3 Ų343.4 Ų43.43%0.02520%0.203CC..THydrogen-bonded Turntrans-62.7-18.7-177.500000114.4Y93 K102 V103 P129Y93-A100 HydrophobicContact CD1-CB 3.5Å; Y93-A100 HydrophobicContact CD2-CB 4.22Å; Y93-A100 HydrophobicContact CE1-CB 3.58Å; Y93-A100 HydrophobicContact CE2-CB 4.27Å; Y93-A100 HydrophobicContact CG-CB 3.85Å; A100-K102 VanDerWaalsContact C-N 3.33Å; A100-V103 WeakPolarHBondContact O-CG2 3.43Å; A100-P129 HydrophobicContact CB-CB 4Å; A100-P129 HydrophobicContact CB-CG 3.73Å; A100-P129 WeakPolarHBondContact O-CB 3.45Å
101N97.3Very high97.9Very high92 Ų9237.5 Ų37.549%0.49218%0.18SC..THydrogen-bonded Turntrans-88.8-0.1177.2-61-72.8000113.3N99N99-N101 PolarHBondContact O-N 3.01Å; N99-N101 VanDerWaalsContact O-N 3.12Å; N99-N101 PolarHBondContact OD1-N 3.23Å
102K97.8Very high98Very high36 Ų3630.9 Ų30.916%0.15716%0.155CC..SBendtrans-123.436.2-176.9-72.7-175.2171-170.20111.2D27 G28 A29 N99 A100 V328 E329D27-K102 WeakPolarHBondContact OD1-CD 3.25Å; D27-K102 WeakPolarHBondContact OD1-CE 3.17Å; D27-K102 IonicContact OD1-NZ 2.95Å; D27-K102 PolarHBondContact OD1-NZ 3.42Å; G28-K102 VanDerWaalsContact CA-O 3.3Å; G28-K102 WeakPolarHBondContact CA-O 3.44Å; A29-K102 PolarHBondContact N-O 2.88Å; N99-K102 HydrophobicContact CB-CB 4.24Å; N99-K102 HydrophobicContact CB-CD 4.34Å; N99-K102 HydrophobicContact CB-CG 4.46Å; N99-K102 PolarHBondContact O-N 3.02Å; A100-K102 VanDerWaalsContact C-N 3.33Å; K102-V328 HydrophobicContact CB-CG1 3.68Å; K102-V328 HydrophobicContact CD-CG1 3.73Å; K102-V328 HydrophobicContact CG-CG1 3.76Å; K102-E329 IonicContact NZ-OE1 3.03Å; K102-E329 PolarHBondContact NZ-OE1 2.91Å; K102-E329 IonicContact NZ-OE2 3.71Å; K102-E329 PolarHBondContact NZ-OE2 3.05Å
103V98.7Very high98Very high0 Ų030.9 Ų30.90%016%0.155CC..EExtended strand (participates in β ladder)trans-92.7128.9-179.3-178.50000110.6A29 I31 F88 L89 A100 L105 I131 K132A29-V103 CarbonylContact O-C 3.51Å; A29-V103 WeakPolarHBondContact O-CA 3.39Å; I31-V103 HydrophobicContact CD1-CG1 3.85Å; I31-V103 HydrophobicContact CG1-CG1 4.12Å; F88-V103 HydrophobicContact CD1-CG1 4.48Å; F88-V103 HydrophobicContact CD1-CG2 4.03Å; F88-V103 HydrophobicContact CE1-CG2 3.64Å; L89-V103 HydrophobicContact CD2-CB 4.08Å; L89-V103 HydrophobicContact CD2-CG1 4.34Å; L89-V103 HydrophobicContact CD2-CG2 3.78Å; A100-V103 WeakPolarHBondContact O-CG2 3.43Å; V103-L105 HydrophobicContact CG1-CD2 4.32Å; V103-I131 HydrophobicContact CB-CD1 4.37Å; V103-I131 HydrophobicContact CG1-CD1 4.04Å; V103-K132 WeakPolarHBondContact O-CB 3.3Å; V103-K132 PolarHBondContact O-N 2.8Å
104V98.9Very high98.1Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-115.1130.5175.4175.60000108.7A29 L30 I31 M59 K132 L133 V135 I324 V328A29-V104 PolarHBondContact O-N 2.67Å; L30-V104 CarbonylContact C-O 3.41Å; L30-V104 WeakPolarHBondContact CA-O 3.43Å; L30-V104 HydrophobicContact CD2-CB 3.8Å; L30-V104 HydrophobicContact CD2-CG1 4.19Å; L30-V104 HydrophobicContact CD2-CG2 4.43Å; I31-V104 PolarHBondContact N-O 2.82Å; M59-V104 HydrophobicContact CE-CG2 4.37Å; V104-K132 HydrophobicContact CG2-CB 4.45Å; V104-L133 WeakPolarHBondContact CA-O 3.45Å; V104-L133 HydrophobicContact CB-CB 4.43Å; V104-L133 HydrophobicContact CG1-CB 3.98Å; V104-L133 HydrophobicContact CG1-CD2 4.12Å; V104-L133 HydrophobicContact CG1-CG 4.32Å; V104-L133 WeakPolarHBondContact CG1-O 3.36Å; V104-L133 HydrophobicContact CG2-CB 3.87Å; V104-V135 HydrophobicContact CG1-CG2 3.9Å; V104-I324 HydrophobicContact CG1-CD1 4.42Å; V104-I324 HydrophobicContact CG1-CG1 4.43Å; V104-I324 HydrophobicContact CG2-CG2 4.16Å; V104-V328 HydrophobicContact CG2-CG2 3.56Å
105L99Very high98.2Very high0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-93132.1169.8-56.6-168.3000108.6I31 F33 V85 V103 V115 A118 T119 L122 I131 L133 Q134 V135I31-L105 HydrophobicContact CB-CD2 3.71Å; I31-L105 HydrophobicContact CD1-CD2 4.07Å; I31-L105 HydrophobicContact CG1-CD2 4.27Å; I31-L105 HydrophobicContact CG2-CD2 4.34Å; I31-L105 WeakPolarHBondContact O-CA 2.97Å; F33-L105 HydrophobicContact CE2-CD1 4.5Å; V85-L105 HydrophobicContact CG1-CD2 4.25Å; V85-L105 HydrophobicContact CG2-CD1 4.31Å; V85-L105 HydrophobicContact CG2-CD2 3.77Å; V103-L105 HydrophobicContact CG1-CD2 4.32Å; L105-V115 HydrophobicContact CB-CG1 3.96Å; L105-V115 HydrophobicContact CB-CG2 4.13Å; L105-A118 HydrophobicContact CD1-CB 3.99Å; L105-T119 HydrophobicContact CD1-CG2 3.84Å; L105-L122 HydrophobicContact CD1-CD1 4.45Å; L105-I131 HydrophobicContact CD1-CD1 4.21Å; L105-I131 HydrophobicContact CD1-CG1 4.25Å; L105-I131 HydrophobicContact CD2-CD1 4.04Å; L105-I131 HydrophobicContact CG-CD1 3.96Å; L105-I131 HydrophobicContact CG-CG1 4.28Å; L105-I131 HydrophobicContact CG-CG2 3.99Å; L105-L133 PolarHBondContact N-O 3.43Å; L105-Q134 CarbonylContact O-C 3.54Å; L105-Q134 WeakPolarHBondContact O-CA 3.32Å; L105-V135 PolarHBondContact O-N 2.85Å
106I98.9Very high98.2Very high0 Ų016.9 Ų16.90%09%0.09CC..EExtended strand (participates in β ladder)trans-138.7142.2-179.1178.1162.7000110.4L30 I31 F32 F33 L53 V115 V135 I137 I320 I324L30-I106 HydrophobicContact CB-CG2 4.28Å; I31-I106 PolarHBondContact O-N 2.88Å; F32-I106 CarbonylContact C-O 3.55Å; F32-I106 VanDerWaalsContact CA-O 3.23Å; F32-I106 WeakPolarHBondContact CA-O 3.46Å; F32-I106 HydrophobicContact CB-CG2 4.17Å; F32-I106 HydrophobicContact CD2-CB 4.5Å; F32-I106 HydrophobicContact CD2-CG1 4.21Å; F32-I106 HydrophobicContact CD2-CG2 3.79Å; F32-I106 HydrophobicContact CE2-CG1 4.39Å; F32-I106 HydrophobicContact CG-CG2 4.44Å; F33-I106 PolarHBondContact N-O 2.86Å; L53-I106 HydrophobicContact CD1-CD1 4.18Å; L53-I106 HydrophobicContact CD2-CD1 4.35Å; I106-V115 VanDerWaalsContact C-CG2 3.42Å; I106-V135 WeakPolarHBondContact CA-O 3.44Å; I106-V135 HydrophobicContact CB-CB 3.92Å; I106-V135 HydrophobicContact CD1-CB 4.05Å; I106-V135 HydrophobicContact CD1-CG1 3.8Å; I106-V135 HydrophobicContact CG1-CB 3.83Å; I106-V135 HydrophobicContact CG1-CG1 3.92Å; I106-I137 HydrophobicContact CD1-CD1 4.39Å; I106-I137 HydrophobicContact CG1-CD1 4.47Å; I106-I320 HydrophobicContact CD1-CG2 4.05Å; I106-I324 HydrophobicContact CD1-CD1 4.2Å
107G98.9Very high98.4Very high0 Ų016 Ų160%09%0.087CC..EExtended strand (participates in β ladder)trans-171.7161.217500000112.4F33 G112 V135 I137F33-G107 WeakPolarHBondContact O-CA 3.49Å; G107-G112 VanDerWaalsContact C-N 3.33Å; G107-G112 WeakPolarHBondContact O-CA 3.22Å; G107-V135 PolarHBondContact N-O 3.32Å; G107-V135 VanDerWaalsContact N-O 3.08Å; G107-I137 PolarHBondContact O-N 3.48Å
108D98.6Very high98.5Very high0 Ų09.7 Ų9.70%05%0.053CC..EExtended strand (participates in β ladder)trans-120.9144.1-177.479.7-63.6000112G35 Y46 A110 G111 G112 I137 Y138G35-D108 WeakPolarHBondContact CA-O 3.27Å; G35-D108 PolarHBondContact N-O 3.12Å; G35-D108 PolarHBondContact N-OD1 2.84Å; G35-D108 VanDerWaalsContact N-OD1 3.12Å; Y46-D108 WeakPolarHBondContact CE1-OD1 3.34Å; Y46-D108 PolarHBondContact OH-OD1 3.19Å; Y46-D108 PolarHBondContact OH-OD2 3.18Å; D108-A110 PolarHBondContact O-N 3.38Å; D108-G111 WeakPolarHBondContact O-CA 3.35Å; D108-G111 PolarHBondContact O-N 2.95Å; D108-G112 PolarHBondContact O-N 3.04Å; D108-I137 CarbonylContact C-O 3.56Å; D108-I137 VanDerWaalsContact CA-O 3.24Å; D108-I137 WeakPolarHBondContact CA-O 3.13Å; D108-I137 HydrophobicContact CB-CB 3.77Å; D108-I137 HydrophobicContact CB-CD1 4.45Å; D108-I137 HydrophobicContact CB-CG2 4.09Å; D108-Y138 HydrophobicContact CB-CD2 4.34Å; D108-Y138 HydrophobicContact CB-CE2 3.51Å; D108-Y138 WeakPolarHBondContact OD2-CE2 3.44Å; D108-Y138 PolarHBondContact OD2-OH 3.11Å
109S98.4Very high98.6Very high9 Ų99.4 Ų9.46%0.0635%0.05CC..THydrogen-bonded Turntrans56.5-119.9-179.7-172.60000111.6G111 G112 N113 I137 Y138 F140 H301S109-G111 PolarHBondContact O-N 3.39Å; S109-G112 WeakPolarHBondContact O-CA 3.47Å; S109-G112 PolarHBondContact O-N 3.23Å; S109-N113 PolarHBondContact O-N 3.2Å; S109-I137 PolarHBondContact N-O 3.44Å; S109-Y138 WeakPolarHBondContact CA-O 3.22Å; S109-F140 PolarHBondContact O-N 3.3Å; S109-H301 VanDerWaalsContact CB-NE2 3.31Å; S109-H301 WeakPolarHBondContact CB-NE2 3.47Å; S109-H301 PolarHBondContact OG-CE1 2.77Å; S109-H301 PolarHBondContact OG-NE2 2.72Å
110A98.7Very high98.6Very high0 Ų07.5 Ų7.50%04%0.04CC..Hα-helixtrans-57.3-31.9169.900000113.5F38 D108 G112 N113 L114F38-A110 HydrophobicContact CD1-CB 3.86Å; F38-A110 HydrophobicContact CD2-CB 3.98Å; F38-A110 HydrophobicContact CE1-CB 3.72Å; F38-A110 HydrophobicContact CE2-CB 3.82Å; F38-A110 HydrophobicContact CG-CB 3.99Å; F38-A110 HydrophobicContact CZ-CB 3.69Å; D108-A110 PolarHBondContact O-N 3.38Å; A110-G112 VanDerWaalsContact C-N 3.32Å; A110-N113 WeakPolarHBondContact O-CB 3.26Å; A110-N113 PolarHBondContact O-N 3.32Å; A110-L114 WeakPolarHBondContact O-CG 3.44Å; A110-L114 PolarHBondContact O-N 3.14Å
111G98.8Very high98.7Very high0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-65.7-36.9171.500000112.3F33 H34 D108 S109 N113 L114 V115F33-G111 WeakPolarHBondContact O-CA 3.42Å; H34-G111 VanDerWaalsContact O-CA 3.24Å; H34-G111 WeakPolarHBondContact O-CA 3.33Å; H34-G111 PolarHBondContact O-N 2.93Å; D108-G111 WeakPolarHBondContact O-CA 3.35Å; D108-G111 PolarHBondContact O-N 2.95Å; S109-G111 PolarHBondContact O-N 3.39Å; G111-N113 VanDerWaalsContact C-N 3.34Å; G111-L114 PolarHBondContact O-N 3.37Å; G111-V115 WeakPolarHBondContact O-CG2 3.34Å; G111-V115 PolarHBondContact O-N 3.45Å
112G98.9Very high98.7Very high0 Ų06.6 Ų6.60%03%0.03CC..Hα-helixtrans-64.7-37.3172.300000112.3G107 D108 S109 A110 V115 A116 L136G107-G112 VanDerWaalsContact C-N 3.33Å; G107-G112 WeakPolarHBondContact O-CA 3.22Å; D108-G112 PolarHBondContact O-N 3.04Å; S109-G112 WeakPolarHBondContact O-CA 3.47Å; S109-G112 PolarHBondContact O-N 3.23Å; A110-G112 VanDerWaalsContact C-N 3.32Å; G112-V115 PolarHBondContact O-N 3.08Å; G112-A116 PolarHBondContact O-N 3.16Å; G112-A116 VanDerWaalsContact O-N 3.15Å; G112-L136 WeakPolarHBondContact O-CD2 3.1Å
113N98.9Very high98.7Very high0 Ų08.2 Ų8.20%04%0.037CC..Hα-helixtrans-57.3-51.3168.6-176.1-86.5000111F38 S109 A110 G111 V115 A116 V117 F140 F249 P251F38-N113 HydrophobicContact CE1-CB 4.21Å; F38-N113 HydrophobicContact CZ-CB 3.72Å; S109-N113 PolarHBondContact O-N 3.2Å; A110-N113 WeakPolarHBondContact O-CB 3.26Å; A110-N113 PolarHBondContact O-N 3.32Å; G111-N113 VanDerWaalsContact C-N 3.34Å; N113-V115 VanDerWaalsContact C-N 3.26Å; N113-V115 PolarHBondContact O-N 2.84Å; N113-A116 WeakPolarHBondContact O-CB 3.06Å; N113-A116 PolarHBondContact O-N 2.97Å; N113-V117 WeakPolarHBondContact O-CG2 3.09Å; N113-V117 PolarHBondContact O-N 3.3Å; N113-F140 WeakPolarHBondContact CA-O 3.26Å; N113-F140 HydrophobicContact CB-CD1 4.46Å; N113-F140 WeakPolarHBondContact CB-O 3.5Å; N113-F140 PolarHBondContact ND2-O 2.86Å; N113-F249 PolarHBondContact ND2-O 3.01Å; N113-P251 WeakPolarHBondContact ND2-CD 3.24Å; N113-P251 WeakPolarHBondContact ND2-CG 3.44Å
114L99Very high98.6Very high2 Ų214 Ų141%0.016%0.059CC..Hα-helixtrans-62.3-32.2-178.9-67.9163.4000112.2F33 F38 Y66 A77 V78 C81 A110 G111 A118F33-L114 HydrophobicContact CB-CB 4.15Å; F33-L114 HydrophobicContact CB-CD1 4.4Å; F33-L114 HydrophobicContact CD2-CB 3.63Å; F33-L114 HydrophobicContact CE2-CB 4.29Å; F33-L114 HydrophobicContact CG-CB 4.09Å; F38-L114 HydrophobicContact CD1-CD1 4.32Å; F38-L114 HydrophobicContact CD1-CG 4.45Å; F38-L114 HydrophobicContact CE1-CD1 4.24Å; F38-L114 HydrophobicContact CE1-CD2 4.18Å; F38-L114 HydrophobicContact CE1-CG 3.94Å; Y66-L114 HydrophobicContact CD1-CD1 3.94Å; Y66-L114 HydrophobicContact CD2-CD1 4.45Å; Y66-L114 HydrophobicContact CE1-CD1 3.52Å; Y66-L114 HydrophobicContact CE2-CD1 4.11Å; Y66-L114 HydrophobicContact CG-CD1 4.39Å; A77-L114 HydrophobicContact CB-CD1 4.49Å; A77-L114 HydrophobicContact CB-CD2 4.17Å; V78-L114 HydrophobicContact CG2-CD2 3.98Å; C81-L114 HydrophobicContact CB-CD2 4.49Å; A110-L114 WeakPolarHBondContact O-CG 3.44Å; A110-L114 PolarHBondContact O-N 3.14Å; G111-L114 PolarHBondContact O-N 3.37Å; L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.47Å
115V99Very high98.6Very high0 Ų016.3 Ų16.30%07%0.069CC..Hα-helixtrans-63-48.7170.9169.20000111F33 L105 I106 G111 G112 N113 A118 T119 Q134 L136F33-V115 HydrophobicContact CD2-CB 4.45Å; F33-V115 HydrophobicContact CD2-CG2 3.66Å; F33-V115 HydrophobicContact CE2-CG2 4.17Å; L105-V115 HydrophobicContact CB-CG1 3.96Å; L105-V115 HydrophobicContact CB-CG2 4.13Å; I106-V115 VanDerWaalsContact C-CG2 3.42Å; G111-V115 WeakPolarHBondContact O-CG2 3.34Å; G111-V115 PolarHBondContact O-N 3.45Å; G112-V115 PolarHBondContact O-N 3.08Å; N113-V115 VanDerWaalsContact C-N 3.26Å; N113-V115 PolarHBondContact O-N 2.84Å; V115-A118 PolarHBondContact O-N 3.15Å; V115-T119 WeakPolarHBondContact O-CG2 3.33Å; V115-T119 PolarHBondContact O-N 3.41Å; V115-T119 PolarHBondContact O-OG1 3.19Å; V115-T119 VanDerWaalsContact O-OG1 3.1Å; V115-Q134 HydrophobicContact CG1-CB 3.74Å; V115-L136 HydrophobicContact CB-CG 4.31Å; V115-L136 HydrophobicContact CG1-CD1 4.09Å; V115-L136 HydrophobicContact CG1-CG 3.96Å
116A98.9Very high98.3Very high0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-59.3-51.3177.800000110.7G112 N113 A118 T119 Q120 L136 L141 P251 Y280G112-A116 PolarHBondContact O-N 3.16Å; G112-A116 VanDerWaalsContact O-N 3.15Å; N113-A116 WeakPolarHBondContact O-CB 3.06Å; N113-A116 PolarHBondContact O-N 2.97Å; A116-A118 PolarHBondContact O-N 3.43Å; A116-T119 PolarHBondContact O-N 3.04Å; A116-T119 PolarHBondContact O-OG1 3.12Å; A116-Q120 WeakPolarHBondContact O-CB 3.43Å; A116-Q120 WeakPolarHBondContact O-CG 3.09Å; A116-Q120 PolarHBondContact O-N 3.05Å; A116-L136 HydrophobicContact CB-CD2 3.82Å; A116-L141 HydrophobicContact CB-CD2 4.14Å; A116-P251 HydrophobicContact CB-CB 3.8Å; A116-P251 HydrophobicContact CB-CG 3.81Å; A116-Y280 HydrophobicContact CB-CE1 4.17Å
117V98.9Very high98.2Very high2 Ų229 Ų291%0.01214%0.137CC..Hα-helixtrans-60.9-47.2-179.6175.20000111.2V78 N113 T119 Q120 R121 N248 P251V78-V117 HydrophobicContact CB-CG1 4.45Å; V78-V117 HydrophobicContact CG1-CG1 3.53Å; V78-V117 HydrophobicContact CG2-CG1 4.13Å; N113-V117 WeakPolarHBondContact O-CG2 3.09Å; N113-V117 PolarHBondContact O-N 3.3Å; V117-T119 PolarHBondContact O-N 3.23Å; V117-Q120 PolarHBondContact O-N 3.49Å; V117-R121 HydrophobicContact CG1-CG 4.09Å; V117-R121 WeakPolarHBondContact O-CB 3.35Å; V117-R121 VanDerWaalsContact O-CG 3.25Å; V117-R121 WeakPolarHBondContact O-CG 3.32Å; V117-R121 PolarHBondContact O-N 3.05Å; V117-N248 HydrophobicContact CG1-CB 4.31Å; V117-N248 WeakPolarHBondContact CG2-O 3.34Å; V117-P251 HydrophobicContact CG2-CB 3.84Å; V117-P251 HydrophobicContact CG2-CG 3.89Å
118A98.9Very high98.2Very high3 Ų330.3 Ų30.33%0.02514%0.144CC..Hα-helixtrans-60.6-46.7179.900000111.5F33 L105 L114 V115 A116 Q120 R121 L122F33-A118 HydrophobicContact CE2-CB 4.04Å; F33-A118 HydrophobicContact CZ-CB 4.43Å; L105-A118 HydrophobicContact CD1-CB 3.99Å; L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.47Å; V115-A118 PolarHBondContact O-N 3.15Å; A116-A118 PolarHBondContact O-N 3.43Å; A118-Q120 PolarHBondContact O-N 3.42Å; A118-R121 PolarHBondContact O-N 3.04Å; A118-L122 WeakPolarHBondContact O-CB 3.49Å; A118-L122 WeakPolarHBondContact O-CG 3.42Å; A118-L122 PolarHBondContact O-N 3.33Å
119T98.7Very high98.2Very high5 Ų531.9 Ų31.93%0.03115%0.154CC..Hα-helixtrans-64.6-38.4178.955.80000113.1L105 V115 A116 V117 L122 I131 Q134 P261L105-T119 HydrophobicContact CD1-CG2 3.84Å; V115-T119 WeakPolarHBondContact O-CG2 3.33Å; V115-T119 PolarHBondContact O-N 3.41Å; V115-T119 PolarHBondContact O-OG1 3.19Å; V115-T119 VanDerWaalsContact O-OG1 3.1Å; A116-T119 PolarHBondContact O-N 3.04Å; A116-T119 PolarHBondContact O-OG1 3.12Å; V117-T119 PolarHBondContact O-N 3.23Å; T119-L122 PolarHBondContact O-N 2.85Å; T119-I131 HydrophobicContact CG2-CG2 4.4Å; T119-Q134 HydrophobicContact CG2-CB 4Å; T119-P261 HydrophobicContact CG2-CG 3.7Å
120Q98.7Very high98.1Very high5 Ų535.5 Ų35.52%0.02318%0.178CC..Hα-helixtrans-64.9-47.7175.3-69.2168.98.100111.7A116 V117 A118 L122 K123 P251 F254 L260 Y280A116-Q120 WeakPolarHBondContact O-CB 3.43Å; A116-Q120 WeakPolarHBondContact O-CG 3.09Å; A116-Q120 PolarHBondContact O-N 3.05Å; V117-Q120 PolarHBondContact O-N 3.49Å; A118-Q120 PolarHBondContact O-N 3.42Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.06Å; Q120-K123 WeakPolarHBondContact O-CB 3.45Å; Q120-K123 PolarHBondContact O-N 3.13Å; Q120-P251 PolarHBondContact NE2-O 3.31Å; Q120-F254 HydrophobicContact CB-CD1 3.98Å; Q120-F254 HydrophobicContact CB-CD2 4.22Å; Q120-F254 HydrophobicContact CB-CE1 3.9Å; Q120-F254 HydrophobicContact CB-CE2 4.17Å; Q120-F254 HydrophobicContact CB-CG 4.12Å; Q120-F254 HydrophobicContact CB-CZ 4Å; Q120-F254 VanDerWaalsContact CD-CB 3.47Å; Q120-F254 HydrophobicContact CG-CB 4.25Å; Q120-F254 HydrophobicContact CG-CD1 3.66Å; Q120-F254 HydrophobicContact CG-CD2 4.47Å; Q120-F254 HydrophobicContact CG-CE1 4.02Å; Q120-F254 HydrophobicContact CG-CG 3.89Å; Q120-F254 VanDerWaalsContact OE1-CB 3.31Å; Q120-L260 HydrophobicContact CG-CD1 4.06Å; Q120-L260 HydrophobicContact CG-CD2 4.32Å; Q120-Y280 PolarHBondContact NE2-OH 3.38Å
121R98.5Very high98.1Very high56 Ų5636.4 Ų36.421%0.21118%0.182CC..Hα-helixtrans-62.5-35.8177.5-78.9-179.671.493.3-4.9112.5E82 V117 A118 K123 R124 N248E82-R121 VanDerWaalsContact CD-NE 3.34Å; E82-R121 IonicContact OE1-CZ 3.49Å; E82-R121 IonicContact OE1-NE 3.94Å; E82-R121 IonicContact OE1-NH2 3.49Å; E82-R121 PolarHBondContact OE1-NH2 3.49Å; E82-R121 WeakPolarHBondContact OE2-CB 3.47Å; E82-R121 IonicContact OE2-CZ 2.72Å; E82-R121 IonicContact OE2-NE 3.93Å; E82-R121 PolarHBondContact OE2-NE 2.86Å; E82-R121 IonicContact OE2-NH2 3.85Å; E82-R121 PolarHBondContact OE2-NH2 2.96Å; V117-R121 HydrophobicContact CG1-CG 4.09Å; V117-R121 WeakPolarHBondContact O-CB 3.35Å; V117-R121 VanDerWaalsContact O-CG 3.25Å; V117-R121 WeakPolarHBondContact O-CG 3.32Å; V117-R121 PolarHBondContact O-N 3.05Å; A118-R121 PolarHBondContact O-N 3.04Å; R121-K123 PolarHBondContact O-N 3Å; R121-R124 VanDerWaalsContact O-CG 3.32Å; R121-R124 WeakPolarHBondContact O-CG 3.32Å; R121-R124 PolarHBondContact O-N 3.27Å; R121-R124 PolarHBondContact O-NH1 2.78Å; R121-N248 VanDerWaalsContact CD-OD1 3.27Å; R121-N248 WeakPolarHBondContact CD-OD1 3.1Å; R121-N248 WeakPolarHBondContact CG-OD1 3.41Å; R121-N248 PolarHBondContact NH1-OD1 3.07Å
122L98.5Very high98Very high20 Ų2039 Ų3911%0.10519%0.193CC..Hα-helixtrans-63.5-21.9179.8-77.4168.4000113.3V85 V86 L89 L105 A118 T119 Q120 R124 F125 L128 I131V85-L122 HydrophobicContact CG1-CD1 3.78Å; V85-L122 HydrophobicContact CG1-CD2 4.35Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; L89-L122 HydrophobicContact CD1-CD2 4.46Å; L105-L122 HydrophobicContact CD1-CD1 4.45Å; A118-L122 WeakPolarHBondContact O-CB 3.49Å; A118-L122 WeakPolarHBondContact O-CG 3.42Å; A118-L122 PolarHBondContact O-N 3.33Å; T119-L122 PolarHBondContact O-N 2.85Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.06Å; L122-R124 PolarHBondContact O-N 3.18Å; L122-F125 HydrophobicContact CD2-CD2 4.04Å; L122-F125 HydrophobicContact CD2-CE2 4.32Å; L122-F125 PolarHBondContact O-N 3.22Å; L122-L128 HydrophobicContact CD2-CD1 3.68Å; L122-I131 HydrophobicContact CD1-CD1 4.06Å; L122-I131 HydrophobicContact CD1-CG1 3.7Å
123K97.2Very high98Very high70 Ų7039 Ų3930%0.30419%0.194SC..THydrogen-bonded Turntrans-56.2-23.1176.1-69.8-174.859.5166.30113.9Q120 R121 F125 F254 D256 S258 L260Q120-K123 WeakPolarHBondContact O-CB 3.45Å; Q120-K123 PolarHBondContact O-N 3.13Å; R121-K123 PolarHBondContact O-N 3Å; K123-F125 VanDerWaalsContact C-N 3.27Å; K123-F125 PolarHBondContact O-N 2.95Å; K123-F254 HydrophobicContact CD-CE1 4.13Å; K123-D256 PolarHBondContact NZ-O 3.13Å; K123-D256 IonicContact NZ-OD1 3.43Å; K123-D256 PolarHBondContact NZ-OD1 2.97Å; K123-D256 IonicContact NZ-OD2 3.63Å; K123-D256 PolarHBondContact NZ-OD2 3.27Å; K123-S258 PolarHBondContact NZ-O 3.13Å; K123-L260 HydrophobicContact CD-CD2 3.69Å; K123-L260 HydrophobicContact CD-CG 4.37Å; K123-L260 HydrophobicContact CG-CD2 3.96Å
124R97Very high98Very high123 Ų12339 Ų3946%0.46419%0.194SC..THydrogen-bonded Turntrans-76.9-12.8178.581.8-173.7-179.6-91.77.5113.9E82 R121 L122E82-R124 IonicContact OE1-CZ 3.65Å; E82-R124 IonicContact OE1-NH1 2.98Å; E82-R124 IonicContact OE1-NH2 3.16Å; E82-R124 PolarHBondContact OE1-NH2 2.82Å; E82-R124 IonicContact OE2-CZ 3.77Å; E82-R124 IonicContact OE2-NH1 3.01Å; E82-R124 PolarHBondContact OE2-NH1 3.34Å; E82-R124 IonicContact OE2-NH2 3.66Å; E82-R124 PolarHBondContact OE2-NH2 2.83Å; R121-R124 VanDerWaalsContact O-CG 3.32Å; R121-R124 WeakPolarHBondContact O-CG 3.32Å; R121-R124 PolarHBondContact O-N 3.27Å; R121-R124 PolarHBondContact O-NH1 2.78Å; L122-R124 PolarHBondContact O-N 3.18Å
125F97.6Very high98Very high47 Ų4738.9 Ų38.921%0.20619%0.193CC..  trans-98116.9178.6-60.9-85.7000109.7V86 L122 K123 L128V86-F125 HydrophobicContact CG2-CE2 3.95Å; V86-F125 HydrophobicContact CG2-CZ 3.98Å; L122-F125 HydrophobicContact CD2-CD2 4.04Å; L122-F125 HydrophobicContact CD2-CE2 4.32Å; L122-F125 PolarHBondContact O-N 3.22Å; K123-F125 VanDerWaalsContact C-N 3.27Å; K123-F125 PolarHBondContact O-N 2.95Å; F125-L128 HydrophobicContact CB-CB 4.27Å; F125-L128 HydrophobicContact CB-CD1 3.54Å; F125-L128 HydrophobicContact CB-CG 3.69Å; F125-L128 HydrophobicContact CD1-CD1 4.1Å; F125-L128 HydrophobicContact CD2-CD1 3.84Å; F125-L128 HydrophobicContact CG-CD1 3.57Å; F125-L128 HydrophobicContact CG-CG 4.15Å
126N94.4Very high98Very high163 Ų16338.9 Ų38.987%0.87219%0.193SC*.SBendtrans-91.4-9177.4-62.4-44.7000112.6
127D96.7Very high98Very high104 Ų10439 Ų3956%0.55619%0.194SC*.SBendtrans-100-6.2-174.762.4-51000113.8R90R90-D127 IonicContact CZ-OD2 3.93Å; R90-D127 IonicContact NE-OD2 2.69Å; R90-D127 IonicContact NH2-OD1 2.82Å; R90-D127 IonicContact NH2-OD2 2.9Å; R90-D127 PolarHBondContact NH2-OD2 3.08Å
128L98.2Very high98Very high27 Ų2738.9 Ų38.914%0.14119%0.193CC..SBendtrans-93142.8-175.9-63.2-178.8000112.1V86 L89 R90 L122 F125V86-L128 HydrophobicContact CG1-CD1 4.34Å; V86-L128 HydrophobicContact CG2-CD1 3.95Å; L89-L128 HydrophobicContact CB-CD2 4.33Å; L89-L128 HydrophobicContact CD1-CB 4.4Å; L89-L128 HydrophobicContact CD1-CD1 4.35Å; R90-L128 HydrophobicContact CG-CD2 3.49Å; R90-L128 VanDerWaalsContact CG-CD2 3.49Å; L122-L128 HydrophobicContact CD2-CD1 3.68Å; F125-L128 HydrophobicContact CB-CB 4.27Å; F125-L128 HydrophobicContact CB-CD1 3.54Å; F125-L128 HydrophobicContact CB-CG 3.69Å; F125-L128 HydrophobicContact CD1-CD1 4.1Å; F125-L128 HydrophobicContact CD2-CD1 3.84Å; F125-L128 HydrophobicContact CG-CD1 3.57Å; F125-L128 HydrophobicContact CG-CG 4.15Å
129P97.6Very high97.9Very high33 Ų3338.8 Ų38.821%0.21419%0.192CC..PPolyproline II helixtrans-54.7147.2165.3-25.435.3000111.7L89 A100L89-P129 HydrophobicContact CD2-CB 4.43Å; A100-P129 HydrophobicContact CB-CB 4Å; A100-P129 HydrophobicContact CB-CG 3.73Å; A100-P129 WeakPolarHBondContact O-CB 3.45Å
130P96.5Very high97.9Very high86 Ų8638.6 Ų38.656%0.55819%0.191SC*.PPolyproline II helixtrans-71.5144.7-177.530-35.1000111.6K132P130-K132 PolarHBondContact O-N 2.79Å
131I98.5Very high97.9Very high18 Ų1838.3 Ų38.39%0.09219%0.19CC..EExtended strand (participates in β ladder)trans-66.5131161.7-60.3-56000108.1V85 L89 V103 L105 T119 L122 L133 P261V85-I131 HydrophobicContact CG1-CD1 4.18Å; L89-I131 HydrophobicContact CD1-CD1 3.97Å; L89-I131 HydrophobicContact CD2-CD1 4.35Å; V103-I131 HydrophobicContact CB-CD1 4.37Å; V103-I131 HydrophobicContact CG1-CD1 4.04Å; L105-I131 HydrophobicContact CD1-CD1 4.21Å; L105-I131 HydrophobicContact CD1-CG1 4.25Å; L105-I131 HydrophobicContact CD2-CD1 4.04Å; L105-I131 HydrophobicContact CG-CD1 3.96Å; L105-I131 HydrophobicContact CG-CG1 4.28Å; L105-I131 HydrophobicContact CG-CG2 3.99Å; T119-I131 HydrophobicContact CG2-CG2 4.4Å; L122-I131 HydrophobicContact CD1-CD1 4.06Å; L122-I131 HydrophobicContact CD1-CG1 3.7Å; I131-L133 WeakPolarHBondContact CG2-O 3.33Å; I131-P261 HydrophobicContact CB-CB 4.19Å; I131-P261 HydrophobicContact CB-CG 4.07Å; I131-P261 HydrophobicContact CG2-CB 4.08Å; I131-P261 HydrophobicContact CG2-CG 3.94Å; I131-P261 WeakPolarHBondContact O-CB 3.48Å
132K98Very high97.9Very high54 Ų5435.7 Ų35.724%0.23518%0.179CC..EExtended strand (participates in β ladder)trans-80.2-36.4-175.9-173.664.2174.7-174.10112.3V103 V104 P130 H327 V328V103-K132 WeakPolarHBondContact O-CB 3.3Å; V103-K132 PolarHBondContact O-N 2.8Å; V104-K132 HydrophobicContact CG2-CB 4.45Å; P130-K132 PolarHBondContact O-N 2.79Å; K132-H327 WeakPolarHBondContact CE-O 3.5Å; K132-H327 PolarHBondContact O-NE2 3.04Å; K132-V328 HydrophobicContact CG-CG2 4.2Å
133L98.7Very high97.7Very high1 Ų134.7 Ų34.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-155.9144.3-178.8-177.676.3000109.7V104 L105 I131 V135 P262 F323 I324V104-L133 WeakPolarHBondContact CA-O 3.45Å; V104-L133 HydrophobicContact CB-CB 4.43Å; V104-L133 HydrophobicContact CG1-CB 3.98Å; V104-L133 HydrophobicContact CG1-CD2 4.12Å; V104-L133 HydrophobicContact CG1-CG 4.32Å; V104-L133 WeakPolarHBondContact CG1-O 3.36Å; V104-L133 HydrophobicContact CG2-CB 3.87Å; L105-L133 PolarHBondContact N-O 3.43Å; I131-L133 WeakPolarHBondContact CG2-O 3.33Å; L133-V135 HydrophobicContact CD2-CG2 3.59Å; L133-V135 HydrophobicContact CG-CG2 3.95Å; L133-P262 WeakPolarHBondContact CA-O 3.32Å; L133-P262 HydrophobicContact CD1-CB 4.06Å; L133-P262 VanDerWaalsContact CD1-O 3.28Å; L133-P262 WeakPolarHBondContact CD1-O 3.5Å; L133-F323 HydrophobicContact CD1-CE1 3.99Å; L133-F323 HydrophobicContact CD2-CD1 4.1Å; L133-F323 HydrophobicContact CD2-CE1 3.9Å; L133-I324 HydrophobicContact CD2-CG1 3.89Å
134Q98.8Very high97.5Very high0 Ų031.4 Ų31.40%016%0.16CC..EExtended strand (participates in β ladder)trans-109.2128.7166.565.3-178.3-69.500109.9L105 V115 T119 L136 P261 P262 A263 L264L105-Q134 CarbonylContact O-C 3.54Å; L105-Q134 WeakPolarHBondContact O-CA 3.32Å; V115-Q134 HydrophobicContact CG1-CB 3.74Å; T119-Q134 HydrophobicContact CG2-CB 4Å; Q134-L136 HydrophobicContact CB-CD1 4.02Å; Q134-L136 HydrophobicContact CG-CD1 3.74Å; Q134-P261 HydrophobicContact CB-CG 4.19Å; Q134-P261 HydrophobicContact CG-CG 4.25Å; Q134-P261 PolarHBondContact NE2-O 3.23Å; Q134-P262 WeakPolarHBondContact CG-O 3.4Å; Q134-P262 PolarHBondContact N-O 3.49Å; Q134-A263 HydrophobicContact CG-CB 3.54Å; Q134-A263 CarbonylContact O-C 3.58Å; Q134-A263 VanDerWaalsContact O-CA 3.29Å; Q134-A263 WeakPolarHBondContact O-CA 3.32Å; Q134-L264 PolarHBondContact O-N 2.93Å
135V98.9Very high97.3Very high0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-119.8115.2-180-175.20000109.1V104 L105 I106 G107 L133 I137 L264 I320 I324V104-V135 HydrophobicContact CG1-CG2 3.9Å; L105-V135 PolarHBondContact O-N 2.85Å; I106-V135 WeakPolarHBondContact CA-O 3.44Å; I106-V135 HydrophobicContact CB-CB 3.92Å; I106-V135 HydrophobicContact CD1-CB 4.05Å; I106-V135 HydrophobicContact CD1-CG1 3.8Å; I106-V135 HydrophobicContact CG1-CB 3.83Å; I106-V135 HydrophobicContact CG1-CG1 3.92Å; G107-V135 PolarHBondContact N-O 3.32Å; G107-V135 VanDerWaalsContact N-O 3.08Å; L133-V135 HydrophobicContact CD2-CG2 3.59Å; L133-V135 HydrophobicContact CG-CG2 3.95Å; V135-I137 HydrophobicContact CG1-CG1 4.38Å; V135-L264 CarbonylContact C-O 3.56Å; V135-L264 WeakPolarHBondContact CA-O 3.12Å; V135-L264 HydrophobicContact CG1-CB 4.31Å; V135-L264 HydrophobicContact CG1-CD2 4.12Å; V135-L264 HydrophobicContact CG1-CG 4.27Å; V135-L264 HydrophobicContact CG2-CB 4.27Å; V135-I320 HydrophobicContact CG1-CG2 4.18Å; V135-I324 HydrophobicContact CG2-CD1 4.19Å; V135-I324 HydrophobicContact CG2-CG1 4.18Å
136L98.9Very high97Very high0 Ų023.7 Ų23.70%013%0.13CC..EExtended strand (participates in β ladder)trans-119.4113.8-174.6-58.387.2000108.9G112 V115 A116 Q134 P139 L264 I265 V266 Y280G112-L136 WeakPolarHBondContact O-CD2 3.1Å; V115-L136 HydrophobicContact CB-CG 4.31Å; V115-L136 HydrophobicContact CG1-CD1 4.09Å; V115-L136 HydrophobicContact CG1-CG 3.96Å; A116-L136 HydrophobicContact CB-CD2 3.82Å; Q134-L136 HydrophobicContact CB-CD1 4.02Å; Q134-L136 HydrophobicContact CG-CD1 3.74Å; L136-P139 HydrophobicContact CB-CB 4.07Å; L136-P139 HydrophobicContact CB-CG 3.91Å; L136-P139 HydrophobicContact CD2-CB 4.22Å; L136-P139 HydrophobicContact CD2-CG 4.32Å; L136-L264 PolarHBondContact N-O 3.45Å; L136-I265 HydrophobicContact CB-CG1 4.3Å; L136-I265 HydrophobicContact CD1-CG1 4.13Å; L136-I265 CarbonylContact O-C 3.54Å; L136-I265 WeakPolarHBondContact O-CA 3.27Å; L136-V266 PolarHBondContact O-N 3.36Å; L136-Y280 HydrophobicContact CD2-CD1 4.09Å; L136-Y280 HydrophobicContact CD2-CE1 3.68Å
137I98.7Very high96.8Very high2 Ų218.8 Ų18.81%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-103.2120.2-179-56.9165.2000108.1I106 G107 D108 S109 V135 P139 V266 F304 I320I106-I137 HydrophobicContact CD1-CD1 4.39Å; I106-I137 HydrophobicContact CG1-CD1 4.47Å; G107-I137 PolarHBondContact O-N 3.48Å; D108-I137 CarbonylContact C-O 3.56Å; D108-I137 VanDerWaalsContact CA-O 3.24Å; D108-I137 WeakPolarHBondContact CA-O 3.13Å; D108-I137 HydrophobicContact CB-CB 3.77Å; D108-I137 HydrophobicContact CB-CD1 4.45Å; D108-I137 HydrophobicContact CB-CG2 4.09Å; S109-I137 PolarHBondContact N-O 3.44Å; V135-I137 HydrophobicContact CG1-CG1 4.38Å; I137-P139 VanDerWaalsContact C-N 3.29Å; I137-P139 VanDerWaalsContact O-N 3.12Å; I137-V266 HydrophobicContact CG1-CB 4.44Å; I137-V266 HydrophobicContact CG1-CG2 4.41Å; I137-V266 HydrophobicContact CG2-CB 4.4Å; I137-F304 HydrophobicContact CD1-CD1 3.9Å; I137-F304 HydrophobicContact CD1-CE1 3.74Å; I137-F304 HydrophobicContact CD1-CZ 4.29Å; I137-F304 HydrophobicContact CG2-CD1 4.42Å; I137-F304 HydrophobicContact CG2-CD2 3.8Å; I137-F304 HydrophobicContact CG2-CE1 4.31Å; I137-F304 HydrophobicContact CG2-CE2 3.68Å; I137-F304 HydrophobicContact CG2-CG 4.17Å; I137-F304 HydrophobicContact CG2-CZ 3.94Å; I137-I320 HydrophobicContact CD1-CD1 4.12Å; I137-I320 HydrophobicContact CG1-CD1 4.41Å
138Y98.1Very high96.6Very high0 Ų013.9 Ų13.90%08%0.075CC..SBendtrans33.455.1-173.841.4-118.7000113.7D108 S109 V266 D271 L273 H301 I303 F304D108-Y138 HydrophobicContact CB-CD2 4.34Å; D108-Y138 HydrophobicContact CB-CE2 3.51Å; D108-Y138 WeakPolarHBondContact OD2-CE2 3.44Å; D108-Y138 PolarHBondContact OD2-OH 3.11Å; S109-Y138 WeakPolarHBondContact CA-O 3.22Å; Y138-V266 WeakPolarHBondContact CA-O 3.32Å; Y138-V266 PolarHBondContact N-O 3.35Å; Y138-D271 WeakPolarHBondContact CB-OD2 3.42Å; Y138-L273 WeakPolarHBondContact O-CD1 3.36Å; Y138-H301 AromaticContact CD2-CE1 3.49Å; Y138-H301 VanDerWaalsContact CD2-CE1 3.49Å; Y138-H301 WeakPolarHBondContact CD2-CE1 3.36Å; Y138-H301 AromaticContact CD2-ND1 3.95Å; Y138-H301 AromaticContact CD2-NE2 3.95Å; Y138-I303 HydrophobicContact CE1-CG2 4.28Å; Y138-F304 AromaticContact CE1-CD2 3.74Å; Y138-F304 HydrophobicContact CE1-CD2 3.74Å; Y138-F304 HydrophobicContact CE1-CE2 4.31Å; Y138-F304 WeakPolarHBondContact OH-CB 3.39Å
139P98.7Very high96.4Very high0 Ų012.8 Ų12.80%07%0.069CC..  trans-68.8141.4-166.730.2-37.4000112.4L136 I137 L141L136-P139 HydrophobicContact CB-CB 4.07Å; L136-P139 HydrophobicContact CB-CG 3.91Å; L136-P139 HydrophobicContact CD2-CB 4.22Å; L136-P139 HydrophobicContact CD2-CG 4.32Å; I137-P139 VanDerWaalsContact C-N 3.29Å; I137-P139 VanDerWaalsContact O-N 3.12Å; P139-L141 HydrophobicContact CB-CD1 4.11Å; P139-L141 HydrophobicContact CB-CD2 3.98Å; P139-L141 HydrophobicContact CB-CG 3.88Å; P139-L141 HydrophobicContact CG-CD1 3.65Å; P139-L141 HydrophobicContact CG-CD2 4.35Å; P139-L141 HydrophobicContact CG-CG 4Å
140F98.5Very high96.2Very high1 Ų111.3 Ų11.30%0.0046%0.059CC..  trans-77.7134.8162.9174-95.9000110F38 S109 N113 Q142 M143 I169 M173 F249 L273F38-F140 AromaticContact CE2-CD1 3.93Å; F38-F140 HydrophobicContact CE2-CD1 3.93Å; F38-F140 HydrophobicContact CE2-CE1 4.3Å; F38-F140 HydrophobicContact CZ-CD1 4.17Å; S109-F140 PolarHBondContact O-N 3.3Å; N113-F140 WeakPolarHBondContact CA-O 3.26Å; N113-F140 HydrophobicContact CB-CD1 4.46Å; N113-F140 WeakPolarHBondContact CB-O 3.5Å; N113-F140 PolarHBondContact ND2-O 2.86Å; F140-Q142 WeakPolarHBondContact CE2-O 3.25Å; F140-M143 HydrophobicContact CE2-CG 4.4Å; F140-M143 HydrophobicContact CE2-SD 3.99Å; F140-M143 HydrophobicContact CZ-CG 3.68Å; F140-M143 HydrophobicContact CZ-SD 3.67Å; F140-I169 HydrophobicContact CD2-CG2 4.33Å; F140-I169 HydrophobicContact CE2-CG2 4Å; F140-M173 HydrophobicContact CD1-SD 3.94Å; F140-M173 HydrophobicContact CD2-SD 4.35Å; F140-M173 HydrophobicContact CE1-CG 4.3Å; F140-M173 HydrophobicContact CE1-SD 3.39Å; F140-M173 WeakPolarHBondContact CE1-SD 3.42Å; F140-M173 HydrophobicContact CE2-CG 3.84Å; F140-M173 HydrophobicContact CE2-SD 3.84Å; F140-M173 HydrophobicContact CG-SD 4.38Å; F140-M173 HydrophobicContact CZ-CG 3.6Å; F140-M173 HydrophobicContact CZ-SD 3.32Å; F140-M173 WeakPolarHBondContact CZ-SD 3.19Å; F140-F249 HydrophobicContact CE1-CD2 4.37Å; F140-F249 AromaticContact CE1-CE2 3.72Å; F140-F249 HydrophobicContact CE1-CE2 3.72Å; F140-F249 AromaticContact CE1-CZ 3.98Å; F140-F249 HydrophobicContact CE1-CZ 3.98Å; F140-F249 HydrophobicContact CZ-CE2 4.27Å; F140-F249 HydrophobicContact CZ-CZ 4.07Å; F140-L273 HydrophobicContact CB-CD1 3.85Å; F140-L273 HydrophobicContact CD2-CD2 4.08Å
141L98.6Very high96Very high0 Ų07.3 Ų7.30%03%0.033CC..  trans-150.3-17.7-165.4-62.4170.3000114.8A116 P139 C250 P251 L252 E276 Y280A116-L141 HydrophobicContact CB-CD2 4.14Å; P139-L141 HydrophobicContact CB-CD1 4.11Å; P139-L141 HydrophobicContact CB-CD2 3.98Å; P139-L141 HydrophobicContact CB-CG 3.88Å; P139-L141 HydrophobicContact CG-CD1 3.65Å; P139-L141 HydrophobicContact CG-CD2 4.35Å; P139-L141 HydrophobicContact CG-CG 4Å; L141-C250 CarbonylContact O-C 3.38Å; L141-C250 VanDerWaalsContact O-C 3.3Å; L141-C250 WeakPolarHBondContact O-CA 3.32Å; L141-P251 HydrophobicContact CD2-CG 3.66Å; L141-L252 HydrophobicContact CB-CB 4.04Å; L141-L252 HydrophobicContact CB-CD1 4.32Å; L141-L252 VanDerWaalsContact O-CB 3.29Å; L141-L252 WeakPolarHBondContact O-CB 3.21Å; L141-L252 PolarHBondContact O-N 2.84Å; L141-E276 WeakPolarHBondContact CA-OE2 3.48Å; L141-E276 HydrophobicContact CB-CB 4.3Å; L141-E276 HydrophobicContact CB-CG 4.36Å; L141-E276 WeakPolarHBondContact CD1-O 3.37Å; L141-E276 PolarHBondContact N-OE2 3.29Å; L141-Y280 VanDerWaalsContact CD1-CB 3.47Å; L141-Y280 HydrophobicContact CD1-CD1 4.21Å; L141-Y280 HydrophobicContact CD1-CG 3.9Å; L141-Y280 HydrophobicContact CD2-CD1 4.49Å; L141-Y280 HydrophobicContact CD2-CG 4.47Å
142Q97Very high95.7Very high0 Ų07.5 Ų7.50%04%0.036CC..  trans-151.7158.5-177.969.683.828.400114.9F140 D145 L252 F253 E276F140-Q142 WeakPolarHBondContact CE2-O 3.25Å; Q142-D145 PolarHBondContact NE2-O 3.03Å; Q142-L252 HydrophobicContact CB-CB 4.3Å; Q142-L252 HydrophobicContact CB-CD1 4.38Å; Q142-L252 HydrophobicContact CG-CD1 4.39Å; Q142-F253 HydrophobicContact CB-CE2 3.75Å; Q142-F253 HydrophobicContact CB-CZ 3.79Å; Q142-E276 HydrophobicContact CG-CB 3.9Å; Q142-E276 PolarHBondContact N-OE2 3.37Å; Q142-E276 VanDerWaalsContact N-OE2 3.07Å
143M95Very high95.3Very high0 Ų05.8 Ų5.80%03%0.03CC..SBendtrans-1319.2176.8-70.8-77.4-76.500113.7F140 F146 M173 L187 H192 F244 F249F140-M143 HydrophobicContact CE2-CG 4.4Å; F140-M143 HydrophobicContact CE2-SD 3.99Å; F140-M143 HydrophobicContact CZ-CG 3.68Å; F140-M143 HydrophobicContact CZ-SD 3.67Å; M143-F146 HydrophobicContact CB-CZ 4.12Å; M143-F146 HydrophobicContact CE-CE1 4.21Å; M143-F146 HydrophobicContact CE-CZ 3.53Å; M143-F146 HydrophobicContact CG-CZ 4.38Å; M143-F146 WeakPolarHBondContact O-CE2 3.26Å; M143-F146 HydrophobicContact SD-CE1 3.69Å; M143-F146 HydrophobicContact SD-CZ 3.39Å; M143-F146 WeakPolarHBondContact SD-CZ 3.39Å; M143-M173 HydrophobicContact CE-CB 3.5Å; M143-M173 HydrophobicContact CE-CG 4.07Å; M143-M173 HydrophobicContact SD-CB 3.75Å; M143-M173 HydrophobicContact SD-CG 3.57Å; M143-M173 VanDerWaalsContact SD-CG 3.57Å; M143-L187 HydrophobicContact CE-CD1 4.19Å; M143-H192 PolarHBondContact O-NE2 3.46Å; M143-F244 HydrophobicContact CB-CB 4.49Å; M143-F244 HydrophobicContact CB-CD1 3.53Å; M143-F244 HydrophobicContact CB-CD2 3.94Å; M143-F244 HydrophobicContact CB-CE1 3.57Å; M143-F244 HydrophobicContact CB-CE2 3.96Å; M143-F244 HydrophobicContact CB-CG 3.74Å; M143-F244 HydrophobicContact CB-CZ 3.78Å; M143-F244 HydrophobicContact CE-CE1 3.66Å; M143-F244 HydrophobicContact CE-CZ 3.76Å; M143-F244 HydrophobicContact CG-CD1 4.15Å; M143-F244 HydrophobicContact CG-CE1 4Å; M143-F244 HydrophobicContact CG-CZ 4.49Å; M143-F244 WeakPolarHBondContact O-CD2 3.37Å; M143-F244 VanDerWaalsContact O-CE2 3.26Å; M143-F244 WeakPolarHBondContact O-CE2 3.47Å; M143-F249 HydrophobicContact CG-CE1 3.66Å; M143-F249 HydrophobicContact CG-CZ 3.9Å; M143-F249 HydrophobicContact SD-CZ 4.42Å
144L92.8Very high94.9Very high0 Ų05.8 Ų5.80%03%0.03CC..SBendtrans-77.7-28.8-178.5-64.9-172.2000112.3H192 L196 F203 Y204 I207 F244 F245 F253L144-H192 PolarHBondContact O-NE2 2.8Å; L144-L196 HydrophobicContact CD2-CD1 3.61Å; L144-F203 HydrophobicContact CD1-CB 3.96Å; L144-Y204 HydrophobicContact CB-CE1 4.12Å; L144-Y204 HydrophobicContact CD1-CD2 4.41Å; L144-Y204 HydrophobicContact CD1-CE2 4.15Å; L144-I207 HydrophobicContact CB-CD1 3.59Å; L144-I207 HydrophobicContact CD1-CD1 4.22Å; L144-I207 HydrophobicContact CG-CD1 4.48Å; L144-F244 HydrophobicContact CD2-CB 3.78Å; L144-F244 HydrophobicContact CD2-CD2 4.2Å; L144-F244 HydrophobicContact CD2-CG 4.49Å; L144-F245 HydrophobicContact CD1-CD1 4.45Å; L144-F245 HydrophobicContact CD1-CE1 3.78Å; L144-F245 HydrophobicContact CD2-CD1 4.4Å; L144-F245 HydrophobicContact CD2-CE1 3.81Å; L144-F245 HydrophobicContact CD2-CZ 4.12Å; L144-F245 HydrophobicContact CG-CE1 4.43Å; L144-F253 HydrophobicContact CB-CZ 4.19Å; L144-F253 HydrophobicContact CD1-CE1 3.68Å; L144-F253 HydrophobicContact CD1-CE2 3.7Å; L144-F253 HydrophobicContact CD1-CZ 3.22Å; L144-F253 HydrophobicContact CG-CE1 4.48Å; L144-F253 HydrophobicContact CG-CE2 3.71Å; L144-F253 HydrophobicContact CG-CZ 3.56Å
145D92.4Very high94.2Very high2 Ų28.7 Ų8.71%0.0115%0.053CC..  trans-138.2112.6-174.9-168-3.2000112.6Q142 K147 T148 N190 I207 H209Q142-D145 PolarHBondContact NE2-O 3.03Å; D145-K147 VanDerWaalsContact OD1-C 3.27Å; D145-K147 WeakPolarHBondContact OD1-CA 3.46Å; D145-K147 PolarHBondContact OD1-N 3.17Å; D145-T148 HydrophobicContact CB-CG2 3.97Å; D145-T148 WeakPolarHBondContact O-CG2 3.32Å; D145-T148 PolarHBondContact OD1-N 3Å; D145-N190 PolarHBondContact OD1-ND2 2.93Å; D145-I207 HydrophobicContact CB-CD1 3.93Å; D145-H209 IonicContact OD2-CD2 3.4Å; D145-H209 IonicContact OD2-CE1 2.67Å; D145-H209 IonicContact OD2-NE2 2.82Å; D145-H209 PolarHBondContact OD2-NE2 3.41Å
146F92Very high93.6Very high7 Ų714.4 Ų14.43%0.0318%0.08CC..SBendtrans-10113.3172.5-57.5-86.4000112.5M143 Y151 V170 L187 N190 H192M143-F146 HydrophobicContact CB-CZ 4.12Å; M143-F146 HydrophobicContact CE-CE1 4.21Å; M143-F146 HydrophobicContact CE-CZ 3.53Å; M143-F146 HydrophobicContact CG-CZ 4.38Å; M143-F146 WeakPolarHBondContact O-CE2 3.26Å; M143-F146 HydrophobicContact SD-CE1 3.69Å; M143-F146 HydrophobicContact SD-CZ 3.39Å; M143-F146 WeakPolarHBondContact SD-CZ 3.39Å; F146-Y151 HydrophobicContact CB-CD1 4.07Å; F146-Y151 HydrophobicContact CB-CE1 4.22Å; F146-Y151 HydrophobicContact CD1-CD1 4.4Å; F146-Y151 AromaticContact CD1-CE1 3.7Å; F146-Y151 HydrophobicContact CD1-CE1 3.7Å; F146-Y151 HydrophobicContact CG-CE1 4.43Å; F146-Y151 WeakPolarHBondContact O-CB 3.37Å; F146-Y151 WeakPolarHBondContact O-CD1 3.49Å; F146-V170 HydrophobicContact CD1-CG2 3.53Å; F146-V170 HydrophobicContact CE1-CG2 3.38Å; F146-V170 HydrophobicContact CG-CG2 4.26Å; F146-V170 HydrophobicContact CZ-CG2 3.98Å; F146-L187 HydrophobicContact CD2-CB 4.34Å; F146-L187 WeakPolarHBondContact CD2-O 3.28Å; F146-L187 HydrophobicContact CE2-CB 3.92Å; F146-L187 HydrophobicContact CE2-CD2 4.48Å; F146-L187 HydrophobicContact CZ-CB 4.32Å; F146-N190 WeakPolarHBondContact CD2-OD1 3.44Å; F146-N190 PolarHBondContact N-OD1 2.96Å; F146-H192 AromaticContact CD2-CE1 3.69Å; F146-H192 AromaticContact CE2-CE1 3.61Å
147K90.6Very high92.9Very high59 Ų5920 Ų2026%0.25710%0.104SC..  trans-126.632.9176.7-63.2-178.4175.4-73.80110.5D145 C152 N189 N190 H209 C220 L226D145-K147 VanDerWaalsContact OD1-C 3.27Å; D145-K147 WeakPolarHBondContact OD1-CA 3.46Å; D145-K147 PolarHBondContact OD1-N 3.17Å; K147-C152 PolarHBondContact O-SG 2.66Å; K147-C152 VanDerWaalsContact O-SG 3.41Å; K147-N189 WeakPolarHBondContact CE-O 3.12Å; K147-N190 WeakPolarHBondContact CB-ND2 3.42Å; K147-N190 HydrophobicContact CD-CB 4.39Å; K147-H209 PolarHBondContact O-CE1 3.38Å; K147-H209 VanDerWaalsContact O-CE1 3.25Å; K147-C220 PolarHBondContact O-SG 3.17Å; K147-L226 HydrophobicContact CB-CD1 4.16Å; K147-L226 HydrophobicContact CB-CD2 3.94Å; K147-L226 HydrophobicContact CD-CD2 3.41Å; K147-L226 VanDerWaalsContact CD-CD2 3.41Å; K147-L226 HydrophobicContact CG-CD2 4.32Å
148T92.9Very high92.2Very high2 Ų222 Ų221%0.01211%0.113CC..SBendtrans-65.1157166.471.70000109.6D145 S150 Y151 C152 D275 W279D145-T148 HydrophobicContact CB-CG2 3.97Å; D145-T148 WeakPolarHBondContact O-CG2 3.32Å; D145-T148 PolarHBondContact OD1-N 3Å; T148-S150 PolarHBondContact O-N 3.4Å; T148-S150 VanDerWaalsContact O-N 3.14Å; T148-S150 PolarHBondContact OG1-OG 3.38Å; T148-S150 VanDerWaalsContact OG1-OG 3.07Å; T148-Y151 WeakPolarHBondContact O-CB 3.31Å; T148-Y151 PolarHBondContact O-N 3.33Å; T148-Y151 WeakPolarHBondContact OG1-CD2 3.24Å; T148-Y151 PolarHBondContact OG1-N 3.33Å; T148-C152 PolarHBondContact O-N 2.7Å; T148-C152 PolarHBondContact O-SG 2.88Å; T148-D275 WeakPolarHBondContact CB-OD2 3.45Å; T148-D275 PolarHBondContact OG1-OD2 2.95Å; T148-W279 HydrophobicContact CG2-CH2 3.5Å; T148-W279 HydrophobicContact CG2-CZ3 3.78Å
149P93Very high91.5Very high3 Ų329.7 Ų29.72%0.01915%0.149CC..Hα-helixtrans-50.6-39.2178.2-30.337000115.1C152 D153 L212 F216 D275P149-C152 PolarHBondContact O-N 2.83Å; P149-D153 WeakPolarHBondContact O-CB 3.35Å; P149-D153 VanDerWaalsContact O-CG 3.23Å; P149-D153 PolarHBondContact O-N 3.31Å; P149-L212 HydrophobicContact CG-CD1 3.7Å; P149-F216 WeakPolarHBondContact CB-O 3.22Å; P149-D275 WeakPolarHBondContact CD-OD2 3.42Å
150S94.1Very high90.6Very high2 Ų232 Ų321%0.01417%0.173CC..Hα-helixtrans-67.6-35.2175.549.10000114T148 A154 D271 V272 D275T148-S150 PolarHBondContact O-N 3.4Å; T148-S150 VanDerWaalsContact O-N 3.14Å; T148-S150 PolarHBondContact OG1-OG 3.38Å; T148-S150 VanDerWaalsContact OG1-OG 3.07Å; S150-A154 WeakPolarHBondContact O-CB 3.21Å; S150-A154 PolarHBondContact O-N 2.98Å; S150-D271 WeakPolarHBondContact CB-O 3.22Å; S150-V272 PolarHBondContact OG-O 3.45Å; S150-D275 VanDerWaalsContact CB-OD2 3.28Å; S150-D275 WeakPolarHBondContact CB-OD2 3.41Å; S150-D275 PolarHBondContact N-OD2 3.48Å; S150-D275 WeakPolarHBondContact OG-CB 3.4Å; S150-D275 PolarHBondContact OG-OD2 2.87Å
151Y92.7Very high89.8Confident3 Ų337.7 Ų37.71%0.01221%0.208CC..Hα-helixtrans-67.3-39.2171.1-84.3-115.2000111.3F146 T148 A154 A155 P166 V272 L273F146-Y151 HydrophobicContact CB-CD1 4.07Å; F146-Y151 HydrophobicContact CB-CE1 4.22Å; F146-Y151 HydrophobicContact CD1-CD1 4.4Å; F146-Y151 AromaticContact CD1-CE1 3.7Å; F146-Y151 HydrophobicContact CD1-CE1 3.7Å; F146-Y151 HydrophobicContact CG-CE1 4.43Å; F146-Y151 WeakPolarHBondContact O-CB 3.37Å; F146-Y151 WeakPolarHBondContact O-CD1 3.49Å; T148-Y151 WeakPolarHBondContact O-CB 3.31Å; T148-Y151 PolarHBondContact O-N 3.33Å; T148-Y151 WeakPolarHBondContact OG1-CD2 3.24Å; T148-Y151 PolarHBondContact OG1-N 3.33Å; Y151-A154 PolarHBondContact O-N 2.82Å; Y151-A155 PolarHBondContact O-N 3.26Å; Y151-P166 HydrophobicContact CD1-CB 3.64Å; Y151-P166 HydrophobicContact CD1-CG 3.6Å; Y151-P166 HydrophobicContact CE1-CB 4.01Å; Y151-P166 HydrophobicContact CE1-CG 4.26Å; Y151-P166 HydrophobicContact CG-CG 4.26Å; Y151-V272 HydrophobicContact CD2-CB 3.84Å; Y151-V272 WeakPolarHBondContact CD2-O 3.49Å; Y151-V272 HydrophobicContact CE1-CB 4.38Å; Y151-V272 HydrophobicContact CE2-CB 3.8Å; Y151-V272 HydrophobicContact CE2-CG2 4.45Å; Y151-V272 WeakPolarHBondContact CE2-O 3.34Å; Y151-V272 HydrophobicContact CG-CB 4.24Å; Y151-L273 HydrophobicContact CE2-CD2 4.5Å
152C90.9Very high89Confident22 Ų2238.8 Ų38.815%0.14922%0.217CC..Hα-helixtrans-69.5-42177.6-49.10000111.2K147 T148 P149 A154 A155 Q156 C220K147-C152 PolarHBondContact O-SG 2.66Å; K147-C152 VanDerWaalsContact O-SG 3.41Å; T148-C152 PolarHBondContact O-N 2.7Å; T148-C152 PolarHBondContact O-SG 2.88Å; P149-C152 PolarHBondContact O-N 2.83Å; C152-A154 PolarHBondContact O-N 3.04Å; C152-A155 PolarHBondContact O-N 2.93Å; C152-Q156 WeakPolarHBondContact O-CB 3.37Å; C152-Q156 PolarHBondContact O-N 3.1Å; C152-C220 HydrophobicContact CB-CB 3.65Å; C152-C220 WeakPolarHBondContact CB-SG 3.38Å; C152-C220 WeakPolarHBondContact SG-CB 3.29Å; C152-C220 CovalentContact SG-SG 2.05Å; C152-C220 PolarHBondContact SG-SG 3.36Å
153D90.3Very high88Confident18 Ų1845.8 Ų45.810%0.09625%0.248CC..Hα-helixtrans-52.2-53.3169.6-79-33.9000110.2P149 A155 Q156 F157 S219 R274P149-D153 WeakPolarHBondContact O-CB 3.35Å; P149-D153 VanDerWaalsContact O-CG 3.23Å; P149-D153 PolarHBondContact O-N 3.31Å; D153-A155 PolarHBondContact O-N 3.23Å; D153-Q156 PolarHBondContact O-N 3.14Å; D153-Q156 VanDerWaalsContact O-N 3.15Å; D153-F157 HydrophobicContact CB-CD2 3.92Å; D153-F157 HydrophobicContact CB-CE2 3.91Å; D153-F157 WeakPolarHBondContact O-CB 3.21Å; D153-F157 WeakPolarHBondContact O-CD2 3.47Å; D153-F157 WeakPolarHBondContact O-CG 3.28Å; D153-F157 PolarHBondContact O-N 3.01Å; D153-F157 WeakPolarHBondContact OD1-CE2 3.37Å; D153-S219 WeakPolarHBondContact OD1-CB 3.47Å; D153-S219 PolarHBondContact OD1-OG 2.8Å; D153-R274 IonicContact OD2-CZ 3.36Å; D153-R274 IonicContact OD2-NH1 3.93Å; D153-R274 PolarHBondContact OD2-NH1 3.32Å; D153-R274 IonicContact OD2-NH2 2.71Å; D153-R274 PolarHBondContact OD2-NH2 3.47Å
154A89.9Confident87.6Confident1 Ų146.6 Ų46.61%0.00825%0.253CS..Hα-helixtrans-61.8-42.4-177.900000113S150 Y151 C152 Q156 F158 V272S150-A154 WeakPolarHBondContact O-CB 3.21Å; S150-A154 PolarHBondContact O-N 2.98Å; Y151-A154 PolarHBondContact O-N 2.82Å; C152-A154 PolarHBondContact O-N 3.04Å; A154-Q156 VanDerWaalsContact C-N 3.29Å; A154-Q156 PolarHBondContact O-N 3.44Å; A154-F158 VanDerWaalsContact CA-CD2 3.43Å; A154-F158 HydrophobicContact CB-CD2 3.65Å; A154-F158 HydrophobicContact CB-CE2 3.84Å; A154-F158 WeakPolarHBondContact O-CB 3.42Å; A154-F158 WeakPolarHBondContact O-CD2 3.36Å; A154-F158 PolarHBondContact O-N 3.39Å; A154-V272 HydrophobicContact CB-CG1 3.3Å
155A85.1Confident87.4Confident60 Ų6047.1 Ų47.150%0.49626%0.256SS..Hα-helixtrans-61.2-39.3175.800000111.7Y151 C152 D153 Q159Y151-A155 PolarHBondContact O-N 3.26Å; C152-A155 PolarHBondContact O-N 2.93Å; D153-A155 PolarHBondContact O-N 3.23Å; A155-Q159 PolarHBondContact O-N 3.19Å
156Q84.7Confident87.3Confident120 Ų12047.9 Ų47.956%0.56126%0.261SS*.Hα-helixtrans-74.4-46.2179.3-177.2176.9-15.900113C152 D153 A154C152-Q156 WeakPolarHBondContact O-CB 3.37Å; C152-Q156 PolarHBondContact O-N 3.1Å; D153-Q156 PolarHBondContact O-N 3.14Å; D153-Q156 VanDerWaalsContact O-N 3.15Å; A154-Q156 VanDerWaalsContact C-N 3.29Å; A154-Q156 PolarHBondContact O-N 3.44Å
157F84.6Confident87.3Confident117 Ų11751.6 Ų51.651%0.51328%0.278SS..Hα-helixtrans-83.3-38.3-172.7-66.9-56.7000113.5D153D153-F157 HydrophobicContact CB-CD2 3.92Å; D153-F157 HydrophobicContact CB-CE2 3.91Å; D153-F157 WeakPolarHBondContact O-CB 3.21Å; D153-F157 WeakPolarHBondContact O-CD2 3.47Å; D153-F157 WeakPolarHBondContact O-CG 3.28Å; D153-F157 PolarHBondContact O-N 3.01Å; D153-F157 WeakPolarHBondContact OD1-CE2 3.37Å
158F83.4Confident87.4Confident45 Ų4551.6 Ų51.620%0.19728%0.281CS..Hα-helixtrans-101.7-20.1-173.3-48.4-52.9000113.2A154 G160 T161 A162 F270A154-F158 VanDerWaalsContact CA-CD2 3.43Å; A154-F158 HydrophobicContact CB-CD2 3.65Å; A154-F158 HydrophobicContact CB-CE2 3.84Å; A154-F158 WeakPolarHBondContact O-CB 3.42Å; A154-F158 WeakPolarHBondContact O-CD2 3.36Å; A154-F158 PolarHBondContact O-N 3.39Å; F158-G160 PolarHBondContact O-N 2.93Å; F158-G160 VanDerWaalsContact O-N 3.07Å; F158-T161 WeakPolarHBondContact O-CB 3.29Å; F158-T161 WeakPolarHBondContact O-CG2 3.45Å; F158-T161 PolarHBondContact O-N 3.43Å; F158-T161 PolarHBondContact O-OG1 2.84Å; F158-A162 HydrophobicContact CB-CB 3.66Å; F158-A162 HydrophobicContact CD1-CB 4.33Å; F158-A162 HydrophobicContact CD2-CB 3.67Å; F158-A162 HydrophobicContact CE2-CB 4.47Å; F158-A162 HydrophobicContact CG-CB 3.62Å; F158-F270 HydrophobicContact CE1-CD1 4.5Å; F158-F270 HydrophobicContact CZ-CB 3.78Å; F158-F270 HydrophobicContact CZ-CD1 4.02Å; F158-F270 HydrophobicContact CZ-CG 4.34Å
159Q83.2Confident87.4Confident161 Ų16151.7 Ų51.775%0.75228%0.281SS*.THydrogen-bonded Turntrans48.740.6175.6-56.8-175.6-12.800113.4A155A155-Q159 PolarHBondContact O-N 3.19Å
160G81.2Confident87.5Confident49 Ų4951.5 Ų51.551%0.50528%0.28SS..THydrogen-bonded Turntrans80.69-178.900000115.9F158 D165F158-G160 PolarHBondContact O-N 2.93Å; F158-G160 VanDerWaalsContact O-N 3.07Å; G160-D165 WeakPolarHBondContact CA-OD2 3.42Å
161T82.1Confident87.6Confident121 Ų12156 Ų5674%0.74230%0.297SS*.  trans-101.2-7.1-177.867.50000114.5F158F158-T161 WeakPolarHBondContact O-CB 3.29Å; F158-T161 WeakPolarHBondContact O-CG2 3.45Å; F158-T161 PolarHBondContact O-N 3.43Å; F158-T161 PolarHBondContact O-OG1 2.84Å
162A81.2Confident87.8Confident23 Ų2357.3 Ų57.319%0.1930%0.304CS..SBendtrans-70148175.800000111F158 V164 D165F158-A162 HydrophobicContact CB-CB 3.66Å; F158-A162 HydrophobicContact CD1-CB 4.33Å; F158-A162 HydrophobicContact CD2-CB 3.67Å; F158-A162 HydrophobicContact CE2-CB 4.47Å; F158-A162 HydrophobicContact CG-CB 3.62Å; A162-V164 WeakPolarHBondContact CB-O 3.27Å; A162-V164 PolarHBondContact O-N 3.22Å; A162-D165 HydrophobicContact CB-CB 4.39Å
163F75.7Confident88.1Confident147 Ų14756.3 Ų56.365%0.64530%0.297SS*.SBendtrans-59.2-34175.2-175.4-106.4000112.1F41F41-F163 HydrophobicContact CZ-CZ 4.32Å
164V86.1Confident88.4Confident16 Ų1655.5 Ų55.510%0.09729%0.293CS..SBendtrans-127.2115.1169.7179.40000108.4A162 I169 V272 H301A162-V164 WeakPolarHBondContact CB-O 3.27Å; A162-V164 PolarHBondContact O-N 3.22Å; V164-I169 HydrophobicContact CG1-CD1 3.44Å; V164-I169 VanDerWaalsContact CG1-CD1 3.44Å; V164-I169 HydrophobicContact CG1-CG1 3.64Å; V164-V272 HydrophobicContact CG1-CG2 3.84Å; V164-H301 HydrophobicContact CB-CB 3.95Å; V164-H301 HydrophobicContact CG2-CB 4.28Å; V164-H301 WeakPolarHBondContact CG2-CD2 3.47Å
165D89.4Confident88.8Confident11 Ų1157 Ų576%0.05930%0.302CS..  trans-128.2173.6176.176.8-21.5000109.4G160 A162 E167 N168 I169G160-D165 WeakPolarHBondContact CA-OD2 3.42Å; A162-D165 HydrophobicContact CB-CB 4.39Å; D165-E167 VanDerWaalsContact C-N 3.26Å; D165-E167 PolarHBondContact O-N 2.88Å; D165-E167 PolarHBondContact OD1-N 3.31Å; D165-N168 PolarHBondContact O-N 3.07Å; D165-N168 WeakPolarHBondContact OD1-CB 3.38Å; D165-N168 VanDerWaalsContact OD1-CG 3.26Å; D165-N168 PolarHBondContact OD1-N 3.27Å; D165-N168 PolarHBondContact OD1-ND2 3.41Å; D165-I169 PolarHBondContact O-N 2.94Å
166P90Very high89.4Confident18 Ų1854.2 Ų54.212%0.11728%0.279CS..Hα-helixtrans-54.9-40.5179.6-30.839.7000113.6Y151 I169 V170 L188 V272Y151-P166 HydrophobicContact CD1-CB 3.64Å; Y151-P166 HydrophobicContact CD1-CG 3.6Å; Y151-P166 HydrophobicContact CE1-CB 4.01Å; Y151-P166 HydrophobicContact CE1-CG 4.26Å; Y151-P166 HydrophobicContact CG-CG 4.26Å; P166-I169 PolarHBondContact O-N 2.93Å; P166-V170 WeakPolarHBondContact O-CG2 3.32Å; P166-V170 PolarHBondContact O-N 2.89Å; P166-L188 HydrophobicContact CB-CD2 3.81Å; P166-V272 HydrophobicContact CG-CG1 4.1Å
167E92.2Very high90Very high86 Ų8649.5 Ų49.540%0.40226%0.257SS..Hα-helixtrans-64.2-47-179.2-170.4-177.4149.300111.5D165 V170 R171 M184 L188D165-E167 VanDerWaalsContact C-N 3.26Å; D165-E167 PolarHBondContact O-N 2.88Å; D165-E167 PolarHBondContact OD1-N 3.31Å; E167-V170 PolarHBondContact O-N 2.82Å; E167-R171 WeakPolarHBondContact O-CB 3.38Å; E167-R171 PolarHBondContact O-N 2.85Å; E167-R171 IonicContact OE1-CZ 3.07Å; E167-R171 IonicContact OE1-NH2 3.89Å; E167-R171 PolarHBondContact OE1-NH2 2.87Å; E167-M184 HydrophobicContact CG-CE 3.26Å; E167-M184 WeakPolarHBondContact O-CE 3.39Å; E167-L188 HydrophobicContact CG-CD1 4.39Å
168N92.4Very high90.5Very high58 Ų5846.2 Ų46.231%0.3126%0.256SS..Hα-helixtrans-66.6-38.1179.5-75-57.1000112.2D165 R171 L172D165-N168 PolarHBondContact O-N 3.07Å; D165-N168 WeakPolarHBondContact OD1-CB 3.38Å; D165-N168 VanDerWaalsContact OD1-CG 3.26Å; D165-N168 PolarHBondContact OD1-N 3.27Å; D165-N168 PolarHBondContact OD1-ND2 3.41Å; N168-R171 PolarHBondContact O-N 3.24Å; N168-L172 WeakPolarHBondContact O-CB 3.39Å; N168-L172 WeakPolarHBondContact O-CD1 3.19Å; N168-L172 WeakPolarHBondContact O-CG 3.46Å; N168-L172 PolarHBondContact O-N 3.5Å
169I94.3Very high91.1Very high4 Ų445.9 Ų45.92%0.02126%0.256CS..Hα-helixtrans-58.5-52.7172.4-69.7-63.3000110F140 V164 D165 P166 R171 L172 M173 V272 L273F140-I169 HydrophobicContact CD2-CG2 4.33Å; F140-I169 HydrophobicContact CE2-CG2 4Å; V164-I169 HydrophobicContact CG1-CD1 3.44Å; V164-I169 VanDerWaalsContact CG1-CD1 3.44Å; V164-I169 HydrophobicContact CG1-CG1 3.64Å; D165-I169 PolarHBondContact O-N 2.94Å; P166-I169 PolarHBondContact O-N 2.93Å; I169-R171 VanDerWaalsContact C-N 3.3Å; I169-R171 PolarHBondContact O-N 2.82Å; I169-L172 PolarHBondContact O-N 2.86Å; I169-M173 HydrophobicContact CG2-CG 4.17Å; I169-M173 WeakPolarHBondContact O-CB 3.48Å; I169-M173 VanDerWaalsContact O-CG 3.24Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 3.05Å; I169-V272 HydrophobicContact CG1-CG2 3.88Å; I169-L273 HydrophobicContact CD1-CD1 4.4Å; I169-L273 HydrophobicContact CD1-CD2 4.02Å; I169-L273 HydrophobicContact CG1-CD2 4.27Å
170V94.8Very high91.6Very high0 Ų041.4 Ų41.40%024%0.24CC..Hα-helixtrans-59.5-42.7-179.7177.40000111.1F146 P166 E167 M173 L174 M184 L187 L188F146-V170 HydrophobicContact CD1-CG2 3.53Å; F146-V170 HydrophobicContact CE1-CG2 3.38Å; F146-V170 HydrophobicContact CG-CG2 4.26Å; F146-V170 HydrophobicContact CZ-CG2 3.98Å; P166-V170 WeakPolarHBondContact O-CG2 3.32Å; P166-V170 PolarHBondContact O-N 2.89Å; E167-V170 PolarHBondContact O-N 2.82Å; V170-M173 PolarHBondContact O-N 3.33Å; V170-L174 HydrophobicContact CG1-CD1 3.83Å; V170-L174 HydrophobicContact CG1-CG 4.23Å; V170-L174 WeakPolarHBondContact O-CB 3.18Å; V170-L174 VanDerWaalsContact O-CG 3.27Å; V170-L174 WeakPolarHBondContact O-CG 3.07Å; V170-L174 PolarHBondContact O-N 2.99Å; V170-M184 HydrophobicContact CG1-CB 4.12Å; V170-M184 HydrophobicContact CG1-CG 3.85Å; V170-L187 HydrophobicContact CG1-CB 3.83Å; V170-L187 HydrophobicContact CG1-CD1 3.74Å; V170-L187 HydrophobicContact CG1-CG 4.35Å; V170-L187 HydrophobicContact CG2-CB 4.3Å; V170-L188 HydrophobicContact CB-CD2 4.35Å; V170-L188 HydrophobicContact CG2-CD2 3.67Å; V170-L188 HydrophobicContact CG2-CG 4.06Å
171R95.5Very high92.3Very high96 Ų9642.1 Ų42.136%0.36223%0.232SC..Hα-helixtrans-60.8-47.7177.7-173.7-178.3-66.4-91-0.9112.3E167 N168 I169 T175 L181 M184E167-R171 WeakPolarHBondContact O-CB 3.38Å; E167-R171 PolarHBondContact O-N 2.85Å; E167-R171 IonicContact OE1-CZ 3.07Å; E167-R171 IonicContact OE1-NH2 3.89Å; E167-R171 PolarHBondContact OE1-NH2 2.87Å; N168-R171 PolarHBondContact O-N 3.24Å; I169-R171 VanDerWaalsContact C-N 3.3Å; I169-R171 PolarHBondContact O-N 2.82Å; R171-T175 WeakPolarHBondContact O-CB 3.45Å; R171-T175 PolarHBondContact O-N 2.93Å; R171-T175 PolarHBondContact O-OG1 3.06Å; R171-L181 HydrophobicContact CG-CD1 4.26Å; R171-L181 HydrophobicContact CG-CD2 4.15Å; R171-M184 HydrophobicContact CB-CE 3.81Å; R171-M184 HydrophobicContact CB-SD 4.1Å; R171-M184 HydrophobicContact CG-SD 4.35Å
172L96.7Very high92.9Very high30 Ų3042.4 Ų42.416%0.15723%0.229CC..Hα-helixtrans-63.5-44.4178.7-71.8165.4000110.8V39 L40 N168 I169 T175 Y176V39-L172 HydrophobicContact CB-CD2 3.8Å; V39-L172 HydrophobicContact CG1-CD2 4.19Å; V39-L172 HydrophobicContact CG2-CD2 4.11Å; L40-L172 HydrophobicContact CD1-CD2 4.3Å; L40-L172 HydrophobicContact CG-CD2 4.38Å; N168-L172 WeakPolarHBondContact O-CB 3.39Å; N168-L172 WeakPolarHBondContact O-CD1 3.19Å; N168-L172 WeakPolarHBondContact O-CG 3.46Å; N168-L172 PolarHBondContact O-N 3.5Å; I169-L172 PolarHBondContact O-N 2.86Å; L172-T175 PolarHBondContact O-N 3Å; L172-Y176 WeakPolarHBondContact O-CB 3.26Å; L172-Y176 PolarHBondContact O-N 2.87Å
173M96.9Very high93.5Very high2 Ų245.4 Ų45.41%0.0124%0.235CC..Hα-helixtrans-66.6-43.8179.8-65.3-50.3109.300112.3F38 F140 M143 I169 V170 T175 Y176 L177 F249F38-M173 HydrophobicContact CD2-CE 3.68Å; F38-M173 HydrophobicContact CD2-SD 3.99Å; F38-M173 HydrophobicContact CE2-CE 3.73Å; F38-M173 HydrophobicContact CE2-SD 3.74Å; F140-M173 HydrophobicContact CD1-SD 3.94Å; F140-M173 HydrophobicContact CD2-SD 4.35Å; F140-M173 HydrophobicContact CE1-CG 4.3Å; F140-M173 HydrophobicContact CE1-SD 3.39Å; F140-M173 WeakPolarHBondContact CE1-SD 3.42Å; F140-M173 HydrophobicContact CE2-CG 3.84Å; F140-M173 HydrophobicContact CE2-SD 3.84Å; F140-M173 HydrophobicContact CG-SD 4.38Å; F140-M173 HydrophobicContact CZ-CG 3.6Å; F140-M173 HydrophobicContact CZ-SD 3.32Å; F140-M173 WeakPolarHBondContact CZ-SD 3.19Å; M143-M173 HydrophobicContact CE-CB 3.5Å; M143-M173 HydrophobicContact CE-CG 4.07Å; M143-M173 HydrophobicContact SD-CB 3.75Å; M143-M173 HydrophobicContact SD-CG 3.57Å; M143-M173 VanDerWaalsContact SD-CG 3.57Å; I169-M173 HydrophobicContact CG2-CG 4.17Å; I169-M173 WeakPolarHBondContact O-CB 3.48Å; I169-M173 VanDerWaalsContact O-CG 3.24Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 3.05Å; V170-M173 PolarHBondContact O-N 3.33Å; M173-T175 VanDerWaalsContact C-N 3.31Å; M173-T175 PolarHBondContact O-N 3.26Å; M173-Y176 PolarHBondContact O-N 3.02Å; M173-L177 WeakPolarHBondContact O-CB 3.27Å; M173-L177 WeakPolarHBondContact O-CG 3.42Å; M173-L177 PolarHBondContact O-N 3.15Å; M173-F249 HydrophobicContact CB-CZ 4.13Å; M173-F249 HydrophobicContact CG-CZ 4.19Å; M173-F249 HydrophobicContact SD-CE2 3.67Å; M173-F249 HydrophobicContact SD-CZ 3.77Å
174L96.7Very high94.3Very high1 Ų139 Ų391%0.00521%0.207CC..Hα-helixtrans-62.2-40174.6-71.4174.3000111.8V170 L177 G178 L179 L181 M184 L187 F236V170-L174 HydrophobicContact CG1-CD1 3.83Å; V170-L174 HydrophobicContact CG1-CG 4.23Å; V170-L174 WeakPolarHBondContact O-CB 3.18Å; V170-L174 VanDerWaalsContact O-CG 3.27Å; V170-L174 WeakPolarHBondContact O-CG 3.07Å; V170-L174 PolarHBondContact O-N 2.99Å; L174-L177 PolarHBondContact O-N 3.38Å; L174-G178 PolarHBondContact O-N 2.86Å; L174-L179 HydrophobicContact CB-CB 4.37Å; L174-L179 HydrophobicContact CD2-CB 3.57Å; L174-L179 HydrophobicContact CD2-CD1 3.87Å; L174-L179 HydrophobicContact CD2-CG 4.39Å; L174-L179 PolarHBondContact O-N 2.88Å; L174-L181 HydrophobicContact CB-CD2 3.72Å; L174-L181 HydrophobicContact CD1-CD2 4.12Å; L174-M184 HydrophobicContact CD1-CB 4.37Å; L174-M184 HydrophobicContact CD1-CG 3.4Å; L174-M184 VanDerWaalsContact CD1-CG 3.4Å; L174-L187 HydrophobicContact CD1-CD1 4.22Å; L174-L187 HydrophobicContact CD2-CD1 3.69Å; L174-L187 HydrophobicContact CG-CD1 4.03Å; L174-F236 HydrophobicContact CD2-CE2 4.48Å; L174-F236 HydrophobicContact CD2-CZ 3.92Å
175T97.8Very high94.6Very high33 Ų3341.8 Ų41.820%0.20223%0.226CC..Hα-helixtrans-62.5-45.5175.1-560000111.1V39 P70 L73 R171 L172 M173 L177 G178V39-T175 HydrophobicContact CG1-CG2 4.16Å; V39-T175 HydrophobicContact CG2-CG2 3.88Å; P70-T175 HydrophobicContact CB-CG2 4.25Å; L73-T175 WeakPolarHBondContact CD2-O 3.47Å; R171-T175 WeakPolarHBondContact O-CB 3.45Å; R171-T175 PolarHBondContact O-N 2.93Å; R171-T175 PolarHBondContact O-OG1 3.06Å; L172-T175 PolarHBondContact O-N 3Å; M173-T175 VanDerWaalsContact C-N 3.31Å; M173-T175 PolarHBondContact O-N 3.26Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.2Å; T175-G178 PolarHBondContact O-N 3.22Å; T175-G178 VanDerWaalsContact O-N 3.17Å
176Y98.3Very high94.7Very high1 Ų143.1 Ų43.10%0.00423%0.233CC..Hα-helixtrans-61.6-36.4177.4179.5-133.5000113.2F38 A69 L73 F74 A77 L172 M173 F249F38-Y176 HydrophobicContact CB-CD1 3.86Å; F38-Y176 HydrophobicContact CB-CD2 3.35Å; F38-Y176 HydrophobicContact CB-CE1 4.07Å; F38-Y176 HydrophobicContact CB-CE2 3.61Å; F38-Y176 HydrophobicContact CB-CG 3.49Å; F38-Y176 VanDerWaalsContact CB-CG 3.49Å; F38-Y176 HydrophobicContact CD1-CD1 4.39Å; F38-Y176 AromaticContact CD1-CE1 3.91Å; F38-Y176 HydrophobicContact CD1-CE1 3.91Å; F38-Y176 HydrophobicContact CD1-CE2 4.36Å; F38-Y176 AromaticContact CD1-CZ 3.89Å; F38-Y176 AromaticContact CD2-CD1 3.48Å; F38-Y176 HydrophobicContact CD2-CD1 3.48Å; F38-Y176 VanDerWaalsContact CD2-CD1 3.48Å; F38-Y176 AromaticContact CD2-CE1 3.76Å; F38-Y176 HydrophobicContact CD2-CE1 3.76Å; F38-Y176 AromaticContact CD2-CG 3.91Å; F38-Y176 HydrophobicContact CD2-CG 3.91Å; F38-Y176 HydrophobicContact CE1-CE1 4.26Å; F38-Y176 HydrophobicContact CE2-CD1 4.1Å; F38-Y176 HydrophobicContact CE2-CE1 4.16Å; F38-Y176 AromaticContact CG-CD1 3.66Å; F38-Y176 HydrophobicContact CG-CD1 3.66Å; F38-Y176 HydrophobicContact CG-CD2 4.04Å; F38-Y176 AromaticContact CG-CE1 3.64Å; F38-Y176 HydrophobicContact CG-CE1 3.64Å; F38-Y176 HydrophobicContact CG-CE2 4.06Å; F38-Y176 AromaticContact CG-CG 3.86Å; F38-Y176 HydrophobicContact CG-CG 3.86Å; F38-Y176 AromaticContact CG-CZ 3.85Å; F38-Y176 HydrophobicContact CZ-CE1 4.38Å; A69-Y176 HydrophobicContact CB-CD2 3.96Å; L73-Y176 WeakPolarHBondContact CA-O 3.32Å; F74-Y176 HydrophobicContact CB-CD1 4.24Å; F74-Y176 HydrophobicContact CB-CD2 4.37Å; F74-Y176 HydrophobicContact CB-CE1 3.87Å; F74-Y176 HydrophobicContact CB-CE2 3.99Å; F74-Y176 HydrophobicContact CB-CG 4.49Å; F74-Y176 AromaticContact CD2-CE1 3.84Å; F74-Y176 HydrophobicContact CD2-CE1 3.84Å; F74-Y176 AromaticContact CD2-CZ 3.87Å; F74-Y176 HydrophobicContact CG-CE1 4.3Å; F74-Y176 PolarHBondContact N-O 3.41Å; A77-Y176 HydrophobicContact CB-CE2 4.28Å; L172-Y176 WeakPolarHBondContact O-CB 3.26Å; L172-Y176 PolarHBondContact O-N 2.87Å; M173-Y176 PolarHBondContact O-N 3.02Å; Y176-F249 HydrophobicContact CD1-CD2 4.08Å; Y176-F249 AromaticContact CD1-CE2 3.77Å; Y176-F249 HydrophobicContact CD1-CE2 3.77Å; Y176-F249 AromaticContact CE1-CD2 3.88Å; Y176-F249 HydrophobicContact CE1-CD2 3.88Å; Y176-F249 HydrophobicContact CE1-CE2 4.05Å
177L97.3Very high94.8Very high20 Ų2042.3 Ų42.311%0.10523%0.227CC..Hα-helixtrans-85-5.4178.9-62.6171.8000113.7F74 M173 L174 T175 L179 L243 F249F74-L177 HydrophobicContact CB-CD2 3.94Å; F74-L177 HydrophobicContact CD1-CD2 4.22Å; F74-L177 HydrophobicContact CG-CD2 4.08Å; M173-L177 WeakPolarHBondContact O-CB 3.27Å; M173-L177 WeakPolarHBondContact O-CG 3.42Å; M173-L177 PolarHBondContact O-N 3.15Å; L174-L177 PolarHBondContact O-N 3.38Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.2Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 HydrophobicContact CB-CD1 3.81Å; L177-L179 HydrophobicContact CB-CG 3.83Å; L177-L179 HydrophobicContact CD1-CD1 3.89Å; L177-L179 PolarHBondContact O-N 2.73Å; L177-L243 HydrophobicContact CB-CD1 4.36Å; L177-L243 HydrophobicContact CD1-CD1 4.11Å; L177-L243 HydrophobicContact CD2-CB 4.5Å; L177-L243 HydrophobicContact CD2-CD1 4.09Å; L177-L243 HydrophobicContact CD2-CD2 4.11Å; L177-L243 HydrophobicContact CD2-CG 4.46Å; L177-L243 HydrophobicContact CG-CD1 4.41Å; L177-F249 HydrophobicContact CD1-CD1 4.4Å; L177-F249 HydrophobicContact CD1-CE1 3.62Å; L177-F249 HydrophobicContact CD1-CZ 3.83Å; L177-F249 HydrophobicContact CD2-CD1 4.06Å; L177-F249 HydrophobicContact CD2-CD2 4.4Å; L177-F249 HydrophobicContact CD2-CE1 3.99Å; L177-F249 HydrophobicContact CD2-CE2 4.33Å; L177-F249 HydrophobicContact CD2-CG 4.28Å; L177-F249 HydrophobicContact CD2-CZ 4.13Å; L177-F249 HydrophobicContact CG-CE1 4.18Å; L177-F249 HydrophobicContact CG-CZ 4.11Å
178G96.6Very high94.7Very high48 Ų4840.2 Ų40.250%0.49522%0.219SC..THydrogen-bonded Turntrans66.329.3-175.300000114L174 T175L174-G178 PolarHBondContact O-N 2.86Å; T175-G178 PolarHBondContact O-N 3.22Å; T175-G178 VanDerWaalsContact O-N 3.17Å
179L95.2Very high94.6Very high39 Ų3941.5 Ų41.520%0.20423%0.226CC..  trans-98.5154.7-178.8-64.2175.6000111.4L174 L177 F236 V240 L243L174-L179 HydrophobicContact CB-CB 4.37Å; L174-L179 HydrophobicContact CD2-CB 3.57Å; L174-L179 HydrophobicContact CD2-CD1 3.87Å; L174-L179 HydrophobicContact CD2-CG 4.39Å; L174-L179 PolarHBondContact O-N 2.88Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 HydrophobicContact CB-CD1 3.81Å; L177-L179 HydrophobicContact CB-CG 3.83Å; L177-L179 HydrophobicContact CD1-CD1 3.89Å; L177-L179 PolarHBondContact O-N 2.73Å; L179-F236 HydrophobicContact CB-CE2 4.33Å; L179-F236 HydrophobicContact CD1-CE2 4.19Å; L179-F236 HydrophobicContact CD1-CZ 4.42Å; L179-F236 HydrophobicContact CD2-CE2 4.44Å; L179-V240 HydrophobicContact CD1-CG1 3.71Å; L179-L243 HydrophobicContact CD1-CD1 4.07Å
180T94Very high94.4Very high66 Ų6641.4 Ų41.441%0.40523%0.225SC..  trans-68.4134.8-178.6178.40000112.5D182 R183T180-D182 PolarHBondContact O-N 3.42Å; T180-D182 PolarHBondContact OG1-N 2.91Å; T180-D182 PolarHBondContact OG1-OD2 2.86Å; T180-R183 HydrophobicContact CG2-CB 4.37Å; T180-R183 HydrophobicContact CG2-CG 3.64Å; T180-R183 PolarHBondContact O-N 3Å
181L95.3Very high94.1Very high64 Ų6442.7 Ų42.734%0.33523%0.234SC..G310 helixtrans-70.2-17.9175.7-59.3-174.9000113R171 L174 R183 M184R171-L181 HydrophobicContact CG-CD1 4.26Å; R171-L181 HydrophobicContact CG-CD2 4.15Å; L174-L181 HydrophobicContact CB-CD2 3.72Å; L174-L181 HydrophobicContact CD1-CD2 4.12Å; L181-R183 PolarHBondContact O-N 3.32Å; L181-M184 HydrophobicContact CB-CG 4.46Å; L181-M184 HydrophobicContact CB-SD 3.98Å; L181-M184 HydrophobicContact CD2-SD 4.13Å; L181-M184 WeakPolarHBondContact O-CB 3.34Å; L181-M184 WeakPolarHBondContact O-CG 3.28Å; L181-M184 PolarHBondContact O-N 3.43Å
182D95.5Very high93.7Very high127 Ų12738.1 Ų38.168%0.67922%0.217SC*.G310 helixtrans-63.1-13.5176.9-62.9-28.5000113T180T180-D182 PolarHBondContact O-N 3.42Å; T180-D182 PolarHBondContact OG1-N 2.91Å; T180-D182 PolarHBondContact OG1-OD2 2.86Å
183R92.4Very high93.3Very high86 Ų8636.7 Ų36.733%0.32521%0.21SC..G310 helixtrans-98.30.9179.4-62.6-70.3179.6-76-1.8113.2T180 L181 P185 L186 L187 D234 F236T180-R183 HydrophobicContact CG2-CB 4.37Å; T180-R183 HydrophobicContact CG2-CG 3.64Å; T180-R183 PolarHBondContact O-N 3Å; L181-R183 PolarHBondContact O-N 3.32Å; R183-P185 VanDerWaalsContact C-CD 3.43Å; R183-P185 VanDerWaalsContact C-N 3.31Å; R183-L186 HydrophobicContact CB-CD1 4.49Å; R183-L186 WeakPolarHBondContact O-CB 3.27Å; R183-L186 PolarHBondContact O-N 3.25Å; R183-L187 PolarHBondContact O-N 3.1Å; R183-D234 IonicContact NE-OD1 3.58Å; R183-D234 IonicContact NE-OD2 2.8Å; R183-D234 PolarHBondContact NE-OD2 2.81Å; R183-F236 HydrophobicContact CB-CD1 3.86Å; R183-F236 HydrophobicContact CB-CD2 4.11Å; R183-F236 HydrophobicContact CB-CE1 3.65Å; R183-F236 HydrophobicContact CB-CE2 3.91Å; R183-F236 HydrophobicContact CB-CG 4.09Å; R183-F236 HydrophobicContact CB-CZ 3.67Å; R183-F236 HydrophobicContact CG-CB 4.36Å; R183-F236 HydrophobicContact CG-CD1 4.06Å; R183-F236 HydrophobicContact CG-CD2 3.81Å; R183-F236 HydrophobicContact CG-CE1 4.31Å; R183-F236 HydrophobicContact CG-CE2 4.07Å; R183-F236 HydrophobicContact CG-CG 3.81Å; R183-F236 HydrophobicContact CG-CZ 4.31Å
184M93.8Very high92.8Very high13 Ų1337.3 Ų37.36%0.06422%0.215CC..Hα-helixtrans-49.1-44.6174.4-72172.362.900113.4E167 V170 R171 L174 L181 L186 L187 L188E167-M184 HydrophobicContact CG-CE 3.26Å; E167-M184 WeakPolarHBondContact O-CE 3.39Å; V170-M184 HydrophobicContact CG1-CB 4.12Å; V170-M184 HydrophobicContact CG1-CG 3.85Å; R171-M184 HydrophobicContact CB-CE 3.81Å; R171-M184 HydrophobicContact CB-SD 4.1Å; R171-M184 HydrophobicContact CG-SD 4.35Å; L174-M184 HydrophobicContact CD1-CB 4.37Å; L174-M184 HydrophobicContact CD1-CG 3.4Å; L174-M184 VanDerWaalsContact CD1-CG 3.4Å; L181-M184 HydrophobicContact CB-CG 4.46Å; L181-M184 HydrophobicContact CB-SD 3.98Å; L181-M184 HydrophobicContact CD2-SD 4.13Å; L181-M184 WeakPolarHBondContact O-CB 3.34Å; L181-M184 WeakPolarHBondContact O-CG 3.28Å; L181-M184 PolarHBondContact O-N 3.43Å; M184-L186 PolarHBondContact O-N 2.93Å; M184-L187 PolarHBondContact O-N 2.89Å; M184-L187 VanDerWaalsContact O-N 3.13Å; M184-L188 WeakPolarHBondContact O-CG 3.28Å; M184-L188 PolarHBondContact O-N 3.03Å
185P92.2Very high92.3Very high75 Ų7539.2 Ų39.249%0.48722%0.222SC..Hα-helixtrans-61.1-29.6179.6-25.136.2000114.2R183 N189R183-P185 VanDerWaalsContact C-CD 3.43Å; R183-P185 VanDerWaalsContact C-N 3.31Å; P185-N189 VanDerWaalsContact O-CB 3.26Å; P185-N189 WeakPolarHBondContact O-CB 3.4Å; P185-N189 VanDerWaalsContact O-CG 3.29Å; P185-N189 PolarHBondContact O-N 3.04Å; P185-N189 VanDerWaalsContact O-N 3.15Å; P185-N189 PolarHBondContact O-ND2 2.86Å; P185-N189 VanDerWaalsContact O-ND2 3.15Å
186L91Very high91.8Very high39 Ų3937.6 Ų37.620%0.20421%0.213CC..Hα-helixtrans-67.8-44176.1-65.7179.7000111R183 M184 N189 N190 S191 D234 F236R183-L186 HydrophobicContact CB-CD1 4.49Å; R183-L186 WeakPolarHBondContact O-CB 3.27Å; R183-L186 PolarHBondContact O-N 3.25Å; M184-L186 PolarHBondContact O-N 2.93Å; L186-N189 PolarHBondContact O-N 3.47Å; L186-N190 PolarHBondContact O-N 3.01Å; L186-S191 WeakPolarHBondContact O-CB 3.39Å; L186-S191 PolarHBondContact O-N 2.95Å; L186-S191 PolarHBondContact O-OG 3.27Å; L186-D234 HydrophobicContact CD1-CB 4.29Å; L186-D234 WeakPolarHBondContact CD1-OD2 3.33Å; L186-F236 HydrophobicContact CD1-CD1 4.07Å
187L91.7Very high91.2Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-68.3-48180-63.5-174.2000111.1M143 F146 V170 L174 R183 M184 N189 N190 F236 F244M143-L187 HydrophobicContact CE-CD1 4.19Å; F146-L187 HydrophobicContact CD2-CB 4.34Å; F146-L187 WeakPolarHBondContact CD2-O 3.28Å; F146-L187 HydrophobicContact CE2-CB 3.92Å; F146-L187 HydrophobicContact CE2-CD2 4.48Å; F146-L187 HydrophobicContact CZ-CB 4.32Å; V170-L187 HydrophobicContact CG1-CB 3.83Å; V170-L187 HydrophobicContact CG1-CD1 3.74Å; V170-L187 HydrophobicContact CG1-CG 4.35Å; V170-L187 HydrophobicContact CG2-CB 4.3Å; L174-L187 HydrophobicContact CD1-CD1 4.22Å; L174-L187 HydrophobicContact CD2-CD1 3.69Å; L174-L187 HydrophobicContact CG-CD1 4.03Å; R183-L187 PolarHBondContact O-N 3.1Å; M184-L187 PolarHBondContact O-N 2.89Å; M184-L187 VanDerWaalsContact O-N 3.13Å; L187-N189 PolarHBondContact O-N 3.49Å; L187-N190 WeakPolarHBondContact O-CA 3.19Å; L187-N190 PolarHBondContact O-N 3.34Å; L187-F236 HydrophobicContact CD1-CE1 4.47Å; L187-F236 HydrophobicContact CD1-CZ 4.41Å; L187-F236 HydrophobicContact CD2-CE1 3.97Å; L187-F236 HydrophobicContact CG-CE1 4.14Å; L187-F244 HydrophobicContact CD1-CZ 4.2Å; L187-F244 HydrophobicContact CD2-CE2 3.85Å; L187-F244 HydrophobicContact CD2-CZ 3.67Å
188L90.8Very high90.5Very high42 Ų4244.2 Ų44.222%0.2224%0.243CC..Hα-helixtrans-59.6-29.5177.8-69.2168.8000113.1P166 E167 V170 M184 N190P166-L188 HydrophobicContact CB-CD2 3.81Å; E167-L188 HydrophobicContact CG-CD1 4.39Å; V170-L188 HydrophobicContact CB-CD2 4.35Å; V170-L188 HydrophobicContact CG2-CD2 3.67Å; V170-L188 HydrophobicContact CG2-CG 4.06Å; M184-L188 WeakPolarHBondContact O-CG 3.28Å; M184-L188 PolarHBondContact O-N 3.03Å; L188-N190 VanDerWaalsContact C-N 3.31Å
189N89Confident89.7Confident85 Ų8544.7 Ų44.746%0.45524%0.237SC..THydrogen-bonded Turntrans-86.81.9175.6-74.1-27.8000114K147 P185 L186 L187 S191 Q229K147-N189 WeakPolarHBondContact CE-O 3.12Å; P185-N189 VanDerWaalsContact O-CB 3.26Å; P185-N189 WeakPolarHBondContact O-CB 3.4Å; P185-N189 VanDerWaalsContact O-CG 3.29Å; P185-N189 PolarHBondContact O-N 3.04Å; P185-N189 VanDerWaalsContact O-N 3.15Å; P185-N189 PolarHBondContact O-ND2 2.86Å; P185-N189 VanDerWaalsContact O-ND2 3.15Å; L186-N189 PolarHBondContact O-N 3.47Å; L187-N189 PolarHBondContact O-N 3.49Å; N189-S191 PolarHBondContact O-N 2.87Å; N189-Q229 PolarHBondContact O-NE2 3.46Å
190N90.9Very high89.2Confident2 Ų246.3 Ų46.31%0.01124%0.242CC..THydrogen-bonded Turntrans54.427.6-169.6-77.9-7.6000113.3D145 F146 K147 L186 L187 L188 H192 A193 Q229D145-N190 PolarHBondContact OD1-ND2 2.93Å; F146-N190 WeakPolarHBondContact CD2-OD1 3.44Å; F146-N190 PolarHBondContact N-OD1 2.96Å; K147-N190 WeakPolarHBondContact CB-ND2 3.42Å; K147-N190 HydrophobicContact CD-CB 4.39Å; L186-N190 PolarHBondContact O-N 3.01Å; L187-N190 WeakPolarHBondContact O-CA 3.19Å; L187-N190 PolarHBondContact O-N 3.34Å; L188-N190 VanDerWaalsContact C-N 3.31Å; N190-H192 PolarHBondContact O-N 2.95Å; N190-A193 HydrophobicContact CB-CB 4.12Å; N190-A193 WeakPolarHBondContact O-CB 3.5Å; N190-A193 PolarHBondContact O-N 2.85Å; N190-Q229 PolarHBondContact O-OE1 2.57Å
191S88.8Confident88.6Confident27 Ų2746.8 Ų46.819%0.18925%0.248CC..THydrogen-bonded Turntrans-62-12.7-175.5-570000113.9L186 N189L186-S191 WeakPolarHBondContact O-CB 3.39Å; L186-S191 PolarHBondContact O-N 2.95Å; L186-S191 PolarHBondContact O-OG 3.27Å; N189-S191 PolarHBondContact O-N 2.87Å
192H87.8Confident88.2Confident0 Ų046.6 Ų46.60%025%0.252CS..THydrogen-bonded Turntrans-78.7-20.1170.153.5-82.9000114.1M143 L144 F146 N190 A194 Y195 L196 L237M143-H192 PolarHBondContact O-NE2 3.46Å; L144-H192 PolarHBondContact O-NE2 2.8Å; F146-H192 AromaticContact CD2-CE1 3.69Å; F146-H192 AromaticContact CE2-CE1 3.61Å; N190-H192 PolarHBondContact O-N 2.95Å; H192-A194 PolarHBondContact O-N 3.38Å; H192-Y195 PolarHBondContact O-N 3.1Å; H192-L196 HydrophobicContact CB-CD1 4.14Å; H192-L196 HydrophobicContact CB-CG 4.33Å; H192-L196 WeakPolarHBondContact O-CG 3.32Å; H192-L196 PolarHBondContact O-N 2.85Å; H192-L237 HydrophobicContact CB-CD2 3.56Å
193A88.4Confident87.8Confident1 Ų142 Ų421%0.00823%0.226CC..Hα-helixtrans-66.4-43.9-163.900000113.5N190 Y195 L196 R197 Y204N190-A193 HydrophobicContact CB-CB 4.12Å; N190-A193 WeakPolarHBondContact O-CB 3.5Å; N190-A193 PolarHBondContact O-N 2.85Å; A193-Y195 VanDerWaalsContact C-N 3.32Å; A193-Y195 PolarHBondContact O-N 3.41Å; A193-L196 PolarHBondContact O-N 2.85Å; A193-R197 WeakPolarHBondContact O-CB 3.32Å; A193-R197 VanDerWaalsContact O-CG 3.27Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 2.84Å; A193-Y204 WeakPolarHBondContact CA-OH 3.35Å; A193-Y204 HydrophobicContact CB-CE1 4.39Å
194A86.1Confident87.7Confident14 Ų1438.5 Ų38.512%0.11621%0.213CC..Hα-helixtrans-60.2-41.9176.200000112.2H192 M198 Q229 I231H192-A194 PolarHBondContact O-N 3.38Å; A194-M198 PolarHBondContact O-N 3.14Å; A194-Q229 HydrophobicContact CB-CB 4.17Å; A194-Q229 WeakPolarHBondContact CB-O 3.41Å; A194-I231 HydrophobicContact CB-CG1 4.02Å
195Y85.6Confident87.5Confident41 Ų4143 Ų4316%0.16123%0.234CC..Hα-helixtrans-64.2-51.9176.2172.5-104000111.6H192 A193 R197 M198 T199 I231 L237 E241H192-Y195 PolarHBondContact O-N 3.1Å; A193-Y195 VanDerWaalsContact C-N 3.32Å; A193-Y195 PolarHBondContact O-N 3.41Å; Y195-R197 PolarHBondContact O-N 2.88Å; Y195-M198 WeakPolarHBondContact O-CB 3.46Å; Y195-M198 PolarHBondContact O-N 2.9Å; Y195-T199 HydrophobicContact CE2-CG2 4.4Å; Y195-T199 PolarHBondContact O-N 3.28Å; Y195-I231 HydrophobicContact CD2-CG2 4.46Å; Y195-L237 HydrophobicContact CD1-CB 4.02Å; Y195-L237 HydrophobicContact CE1-CB 4.3Å; Y195-L237 HydrophobicContact CG-CD1 4.44Å; Y195-E241 HydrophobicContact CE1-CB 4.36Å; Y195-E241 PolarHBondContact OH-OE2 3.28Å
196L87Confident87.5Confident0 Ų041.9 Ų41.90%022%0.222CC..Hα-helixtrans-69.2-30.1-176.2-64.2-174.2000113.2L144 H192 A193 M198 T199 K200 Y204 E241 F244 F245L144-L196 HydrophobicContact CD2-CD1 3.61Å; H192-L196 HydrophobicContact CB-CD1 4.14Å; H192-L196 HydrophobicContact CB-CG 4.33Å; H192-L196 WeakPolarHBondContact O-CG 3.32Å; H192-L196 PolarHBondContact O-N 2.85Å; A193-L196 PolarHBondContact O-N 2.85Å; L196-M198 VanDerWaalsContact C-N 3.28Å; L196-M198 PolarHBondContact O-N 2.74Å; L196-T199 PolarHBondContact O-N 3.43Å; L196-T199 PolarHBondContact O-OG1 2.81Å; L196-K200 PolarHBondContact O-N 3.38Å; L196-Y204 HydrophobicContact CB-CE2 3.95Å; L196-E241 HydrophobicContact CD2-CB 3.69Å; L196-E241 HydrophobicContact CD2-CG 3.7Å; L196-F244 HydrophobicContact CD1-CD2 3.92Å; L196-F245 HydrophobicContact CB-CE2 4.47Å; L196-F245 HydrophobicContact CB-CZ 4.08Å; L196-F245 HydrophobicContact CD1-CZ 4.44Å; L196-F245 HydrophobicContact CD2-CE2 3.9Å; L196-F245 HydrophobicContact CD2-CZ 4.34Å
197R86Confident87.6Confident30 Ų3040.1 Ų40.111%0.11321%0.213CC..Hα-helixtrans-64.9-33.2173.1-78.2178.5-174.8123.9-4.5112.2A193 Y195 S201 Y204 L226 H227A193-R197 WeakPolarHBondContact O-CB 3.32Å; A193-R197 VanDerWaalsContact O-CG 3.27Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 2.84Å; Y195-R197 PolarHBondContact O-N 2.88Å; R197-S201 WeakPolarHBondContact O-CA 3.13Å; R197-S201 VanDerWaalsContact O-CB 3.32Å; R197-S201 WeakPolarHBondContact O-CB 3.35Å; R197-S201 PolarHBondContact O-N 3.02Å; R197-Y204 HydrophobicContact CB-CD2 4.31Å; R197-Y204 HydrophobicContact CB-CE2 4.3Å; R197-Y204 HydrophobicContact CG-CD1 3.96Å; R197-Y204 HydrophobicContact CG-CD2 3.37Å; R197-Y204 HydrophobicContact CG-CE1 4.03Å; R197-Y204 HydrophobicContact CG-CE2 3.45Å; R197-Y204 VanDerWaalsContact CG-CE2 3.45Å; R197-Y204 HydrophobicContact CG-CG 3.63Å; R197-L226 PolarHBondContact NH1-O 2.86Å; R197-H227 VanDerWaalsContact CD-CD2 3.5Å; R197-H227 WeakPolarHBondContact CD-CD2 3.44Å; R197-H227 PolarHBondContact NE-CD2 2.88Å; R197-H227 PolarHBondContact NE-NE2 2.72Å; R197-H227 PolarHBondContact NH2-CE1 2.79Å
198M82.7Confident87.6Confident129 Ų12941 Ų4164%0.63522%0.219SC*.Hα-helixtrans-70.5-35.2176.9-173178.463.300111.9A194 Y195 L196 I231A194-M198 PolarHBondContact O-N 3.14Å; Y195-M198 WeakPolarHBondContact O-CB 3.46Å; Y195-M198 PolarHBondContact O-N 2.9Å; L196-M198 VanDerWaalsContact C-N 3.28Å; L196-M198 PolarHBondContact O-N 2.74Å; M198-I231 HydrophobicContact SD-CD1 4.24Å
199T79.9Confident87.6Confident59 Ų5939.6 Ų39.636%0.36221%0.211SC..Hα-helixtrans-86.7-36.4-177.163.90000112.8Y195 L196 E241Y195-T199 HydrophobicContact CE2-CG2 4.4Å; Y195-T199 PolarHBondContact O-N 3.28Å; L196-T199 PolarHBondContact O-N 3.43Å; L196-T199 PolarHBondContact O-OG1 2.81Å; T199-E241 WeakPolarHBondContact CB-OE1 3.42Å; T199-E241 PolarHBondContact OG1-OE1 3.39Å
200K84.2Confident87.6Confident73 Ų7341.2 Ų41.232%0.31722%0.22SC..Hα-helixtrans-146.260.9-175.2-55.2-161.8-164.9175.20113.5L196 S202 F203 F245L196-K200 PolarHBondContact O-N 3.38Å; K200-S202 VanDerWaalsContact C-N 3.28Å; K200-S202 PolarHBondContact O-N 2.88Å; K200-F203 HydrophobicContact CB-CD2 3.73Å; K200-F203 HydrophobicContact CB-CE2 4.17Å; K200-F203 HydrophobicContact CB-CG 4.48Å; K200-F203 HydrophobicContact CD-CD2 4.23Å; K200-F203 HydrophobicContact CD-CE2 3.91Å; K200-F203 HydrophobicContact CD-CZ 4.39Å; K200-F203 PolarHBondContact O-N 3.33Å; K200-F245 HydrophobicContact CB-CE1 3.96Å; K200-F245 HydrophobicContact CB-CE2 3.93Å; K200-F245 HydrophobicContact CB-CZ 3.56Å; K200-F245 HydrophobicContact CD-CB 4.37Å; K200-F245 HydrophobicContact CD-CD1 4.04Å; K200-F245 HydrophobicContact CD-CD2 3.42Å; K200-F245 VanDerWaalsContact CD-CD2 3.42Å; K200-F245 HydrophobicContact CD-CE1 4.12Å; K200-F245 HydrophobicContact CD-CE2 3.5Å; K200-F245 VanDerWaalsContact CD-CE2 3.5Å; K200-F245 HydrophobicContact CD-CG 3.7Å; K200-F245 HydrophobicContact CD-CZ 3.87Å; K200-F245 VanDerWaalsContact CE-CD2 3.44Å; K200-F245 HydrophobicContact CG-CD2 4.22Å; K200-F245 HydrophobicContact CG-CE2 3.78Å; K200-F245 HydrophobicContact CG-CZ 3.97Å; K200-F245 VanDerWaalsContact NZ-CD2 3.34Å
201S82.2Confident87.6Confident76 Ų7645.2 Ų45.253%0.53124%0.235SC..Hα-helixtrans-53.5-36.8-177.957.40000115R197 F203 Y204R197-S201 WeakPolarHBondContact O-CA 3.13Å; R197-S201 VanDerWaalsContact O-CB 3.32Å; R197-S201 WeakPolarHBondContact O-CB 3.35Å; R197-S201 PolarHBondContact O-N 3.02Å; S201-F203 PolarHBondContact O-N 3.48Å; S201-F203 VanDerWaalsContact O-N 3.11Å; S201-Y204 PolarHBondContact O-N 2.89Å
202S86.7Confident87.8Confident59 Ų5944.2 Ų44.241%0.41323%0.227SC..Hα-helixtrans-58.5-27-177.657.30000113.7K200 E205K200-S202 VanDerWaalsContact C-N 3.28Å; K200-S202 PolarHBondContact O-N 2.88Å; S202-E205 WeakPolarHBondContact O-CB 3.37Å; S202-E205 PolarHBondContact O-N 3.28Å
203F87.9Confident87.9Confident32 Ų3245.5 Ų45.514%0.1424%0.235CC..Hα-helixtrans-70.3-34.8178.1-73.5-110.7000111.8L144 K200 S201 E205 H206 F245 F253L144-F203 HydrophobicContact CD1-CB 3.96Å; K200-F203 HydrophobicContact CB-CD2 3.73Å; K200-F203 HydrophobicContact CB-CE2 4.17Å; K200-F203 HydrophobicContact CB-CG 4.48Å; K200-F203 HydrophobicContact CD-CD2 4.23Å; K200-F203 HydrophobicContact CD-CE2 3.91Å; K200-F203 HydrophobicContact CD-CZ 4.39Å; K200-F203 PolarHBondContact O-N 3.33Å; S201-F203 PolarHBondContact O-N 3.48Å; S201-F203 VanDerWaalsContact O-N 3.11Å; F203-E205 VanDerWaalsContact C-N 3.29Å; F203-E205 PolarHBondContact O-N 3.38Å; F203-H206 WeakPolarHBondContact O-CB 3.13Å; F203-H206 PolarHBondContact O-N 3.23Å; F203-F245 HydrophobicContact CB-CD1 4.18Å; F203-F245 HydrophobicContact CB-CE1 3.68Å; F203-F245 AromaticContact CD1-CD1 3.35Å; F203-F245 HydrophobicContact CD1-CD1 3.35Å; F203-F245 AromaticContact CD1-CE1 3.77Å; F203-F245 HydrophobicContact CD1-CE1 3.77Å; F203-F245 HydrophobicContact CD1-CG 4.41Å; F203-F245 HydrophobicContact CD2-CD1 4.26Å; F203-F245 HydrophobicContact CD2-CE1 4.18Å; F203-F245 HydrophobicContact CE1-CB 4.29Å; F203-F245 AromaticContact CE1-CD1 3.7Å; F203-F245 HydrophobicContact CE1-CD1 3.7Å; F203-F245 HydrophobicContact CE1-CE1 4.48Å; F203-F245 HydrophobicContact CE1-CG 4.38Å; F203-F245 AromaticContact CG-CD1 3.68Å; F203-F245 HydrophobicContact CG-CD1 3.68Å; F203-F245 AromaticContact CG-CE1 3.61Å; F203-F245 HydrophobicContact CG-CE1 3.61Å; F203-F245 HydrophobicContact CZ-CD1 4.31Å; F203-F253 HydrophobicContact CB-CD1 4.17Å; F203-F253 HydrophobicContact CB-CE1 4.33Å; F203-F253 HydrophobicContact CD1-CB 3.49Å; F203-F253 VanDerWaalsContact CD1-CB 3.49Å; F203-F253 AromaticContact CD1-CD1 3.68Å; F203-F253 HydrophobicContact CD1-CD1 3.68Å; F203-F253 HydrophobicContact CD1-CD2 4.33Å; F203-F253 AromaticContact CD1-CG 3.58Å; F203-F253 HydrophobicContact CD1-CG 3.58Å; F203-F253 HydrophobicContact CE1-CB 3.56Å; F203-F253 HydrophobicContact CE1-CG 4.17Å; F203-F253 HydrophobicContact CG-CD1 4.38Å; F203-F253 WeakPolarHBondContact O-CE1 3.38Å
204Y88.8Confident87.9Confident11 Ų1152.5 Ų52.54%0.04327%0.268CS..Hα-helixtrans-68.5-28.9177.7-80.4-90.1000112.4L144 A193 L196 R197 S201 H206 I207 S208L144-Y204 HydrophobicContact CB-CE1 4.12Å; L144-Y204 HydrophobicContact CD1-CD2 4.41Å; L144-Y204 HydrophobicContact CD1-CE2 4.15Å; A193-Y204 WeakPolarHBondContact CA-OH 3.35Å; A193-Y204 HydrophobicContact CB-CE1 4.39Å; L196-Y204 HydrophobicContact CB-CE2 3.95Å; R197-Y204 HydrophobicContact CB-CD2 4.31Å; R197-Y204 HydrophobicContact CB-CE2 4.3Å; R197-Y204 HydrophobicContact CG-CD1 3.96Å; R197-Y204 HydrophobicContact CG-CD2 3.37Å; R197-Y204 HydrophobicContact CG-CE1 4.03Å; R197-Y204 HydrophobicContact CG-CE2 3.45Å; R197-Y204 VanDerWaalsContact CG-CE2 3.45Å; R197-Y204 HydrophobicContact CG-CG 3.63Å; S201-Y204 PolarHBondContact O-N 2.89Å; Y204-H206 PolarHBondContact O-N 3Å; Y204-I207 HydrophobicContact CD1-CD1 4.1Å; Y204-I207 HydrophobicContact CD1-CG1 4.44Å; Y204-I207 HydrophobicContact CE1-CD1 4.4Å; Y204-I207 CarbonylContact O-C 3.42Å; Y204-I207 WeakPolarHBondContact O-CG1 3.46Å; Y204-I207 PolarHBondContact O-N 3.03Å; Y204-S208 PolarHBondContact O-N 3.07Å
205E90.1Very high87.8Confident109 Ų10955.2 Ų55.251%0.50928%0.28SS..Hα-helixtrans-58.3-37.9174.8-60.5-177-175.400111.1S202 F203 I207 S208 R211S202-E205 WeakPolarHBondContact O-CB 3.37Å; S202-E205 PolarHBondContact O-N 3.28Å; F203-E205 VanDerWaalsContact C-N 3.29Å; F203-E205 PolarHBondContact O-N 3.38Å; E205-I207 PolarHBondContact O-N 2.9Å; E205-S208 PolarHBondContact O-N 3.3Å; E205-R211 VanDerWaalsContact C-NH1 3.33Å; E205-R211 WeakPolarHBondContact O-CD 3.24Å; E205-R211 PolarHBondContact O-NE 3.44Å; E205-R211 PolarHBondContact O-NH1 3.27Å; E205-R211 PolarHBondContact O-NH2 3.33Å
206H92.5Very high88Confident51 Ų5153.4 Ų53.424%0.23627%0.273CS..THydrogen-bonded Turntrans-63-23.7178.8-66.1-41.3000114.2F203 Y204 L252 R283F203-H206 WeakPolarHBondContact O-CB 3.13Å; F203-H206 PolarHBondContact O-N 3.23Å; Y204-H206 PolarHBondContact O-N 3Å; H206-L252 HydrophobicContact CB-CD2 4.06Å; H206-R283 PolarHBondContact ND1-NE 2.98Å; H206-R283 PolarHBondContact NE2-NH2 3.43Å
207I93.1Very high87.9Confident2 Ų258.2 Ų58.21%0.0129%0.292CS..THydrogen-bonded Turntrans-118.421.1-178.960166.7000112.5L144 D145 Y204 E205 H209 L252 F253 W279L144-I207 HydrophobicContact CB-CD1 3.59Å; L144-I207 HydrophobicContact CD1-CD1 4.22Å; L144-I207 HydrophobicContact CG-CD1 4.48Å; D145-I207 HydrophobicContact CB-CD1 3.93Å; Y204-I207 HydrophobicContact CD1-CD1 4.1Å; Y204-I207 HydrophobicContact CD1-CG1 4.44Å; Y204-I207 HydrophobicContact CE1-CD1 4.4Å; Y204-I207 CarbonylContact O-C 3.42Å; Y204-I207 WeakPolarHBondContact O-CG1 3.46Å; Y204-I207 PolarHBondContact O-N 3.03Å; E205-I207 PolarHBondContact O-N 2.9Å; I207-H209 PolarHBondContact O-N 3.33Å; I207-L252 HydrophobicContact CG2-CD1 4.06Å; I207-L252 HydrophobicContact CG2-CD2 3.33Å; I207-L252 HydrophobicContact CG2-CG 4.38Å; I207-F253 HydrophobicContact CD1-CZ 4.4Å; I207-F253 HydrophobicContact CG2-CE1 3.9Å; I207-F253 HydrophobicContact CG2-CZ 4.08Å; I207-W279 HydrophobicContact CB-CD2 4.06Å; I207-W279 HydrophobicContact CB-CE3 3.68Å; I207-W279 HydrophobicContact CB-CH2 3.87Å; I207-W279 HydrophobicContact CB-CZ2 4.22Å; I207-W279 HydrophobicContact CB-CZ3 3.59Å; I207-W279 HydrophobicContact CG2-CD2 4.08Å; I207-W279 HydrophobicContact CG2-CE3 3.51Å; I207-W279 HydrophobicContact CG2-CZ3 3.79Å; I207-W279 VanDerWaalsContact O-CH2 3.23Å; I207-W279 WeakPolarHBondContact O-CH2 3.48Å; I207-W279 WeakPolarHBondContact O-CZ2 3.33Å
208S91.1Very high87.3Confident19 Ų1965.5 Ų65.513%0.13332%0.319CS..  trans-61.5136175.9171.60000110.4Y204 E205 D210 R211 E223 W279Y204-S208 PolarHBondContact O-N 3.07Å; E205-S208 PolarHBondContact O-N 3.3Å; S208-D210 PolarHBondContact O-N 3.01Å; S208-D210 PolarHBondContact OG-N 3.46Å; S208-R211 WeakPolarHBondContact O-CB 3.27Å; S208-R211 PolarHBondContact O-N 3.24Å; S208-R211 VanDerWaalsContact O-N 3.11Å; S208-E223 PolarHBondContact OG-OE2 2.66Å; S208-W279 PolarHBondContact O-NE1 3.03Å
209H91.1Very high86.8Confident12 Ų1261.1 Ų61.16%0.05630%0.301CS..G310 helixtrans-66.3-26.6-179.3-65.1-174.5000110.8D145 K147 I207 R211 L212 R217 E223 W279D145-H209 IonicContact OD2-CD2 3.4Å; D145-H209 IonicContact OD2-CE1 2.67Å; D145-H209 IonicContact OD2-NE2 2.82Å; D145-H209 PolarHBondContact OD2-NE2 3.41Å; K147-H209 PolarHBondContact O-CE1 3.38Å; K147-H209 VanDerWaalsContact O-CE1 3.25Å; I207-H209 PolarHBondContact O-N 3.33Å; H209-R211 PolarHBondContact O-N 3.37Å; H209-L212 VanDerWaalsContact O-CB 3.32Å; H209-L212 WeakPolarHBondContact O-CB 3.39Å; H209-L212 PolarHBondContact O-N 2.83Å; H209-R217 WeakPolarHBondContact O-CD 3.4Å; H209-E223 PolarHBondContact N-OE2 3.22Å; H209-W279 AromaticContact CD2-CZ2 3.99Å
210D89.5Confident86.5Confident118 Ų11859.6 Ų59.663%0.63129%0.293SS*.G310 helixtrans-63.2-22.9176.3-71.8-23.4000113.1S208 L212 R217S208-D210 PolarHBondContact O-N 3.01Å; S208-D210 PolarHBondContact OG-N 3.46Å; D210-L212 VanDerWaalsContact C-N 3.32Å; D210-R217 PolarHBondContact O-NH1 3Å
211R90.8Very high85.7Confident87 Ų8759.6 Ų59.633%0.32830%0.3SS..G310 helixtrans-80.1-13.3175.9-64.2-176.9178.5174.14.8113.1E205 S208 H209 F278E205-R211 VanDerWaalsContact C-NH1 3.33Å; E205-R211 WeakPolarHBondContact O-CD 3.24Å; E205-R211 PolarHBondContact O-NE 3.44Å; E205-R211 PolarHBondContact O-NH1 3.27Å; E205-R211 PolarHBondContact O-NH2 3.33Å; S208-R211 WeakPolarHBondContact O-CB 3.27Å; S208-R211 PolarHBondContact O-N 3.24Å; S208-R211 VanDerWaalsContact O-N 3.11Å; H209-R211 PolarHBondContact O-N 3.37Å; R211-F278 VanDerWaalsContact O-CE1 3.26Å; R211-F278 WeakPolarHBondContact O-CE1 3.5Å
212L92.5Very high84.8Confident5 Ų558.8 Ų58.83%0.02630%0.298CS..SBendtrans-71.7150.7176.2-65.9169.1000111P149 H209 D210 F216 R217 D275 F278 W279P149-L212 HydrophobicContact CG-CD1 3.7Å; H209-L212 VanDerWaalsContact O-CB 3.32Å; H209-L212 WeakPolarHBondContact O-CB 3.39Å; H209-L212 PolarHBondContact O-N 2.83Å; D210-L212 VanDerWaalsContact C-N 3.32Å; L212-F216 HydrophobicContact CB-CB 4.36Å; L212-R217 HydrophobicContact CB-CG 3.93Å; L212-D275 HydrophobicContact CD1-CB 4.13Å; L212-D275 HydrophobicContact CD2-CB 3.78Å; L212-F278 HydrophobicContact CD2-CD1 3.75Å; L212-F278 HydrophobicContact CD2-CE1 4.39Å; L212-F278 HydrophobicContact CD2-CG 4.35Å; L212-W279 HydrophobicContact CD1-CZ2 3.82Å; L212-W279 HydrophobicContact CD2-CD2 4.43Å; L212-W279 HydrophobicContact CD2-CZ2 4.06Å; L212-W279 HydrophobicContact CG-CZ2 3.92Å
213P89.8Confident83.7Confident27 Ų2757.8 Ų57.818%0.17529%0.286CS..  trans-56.5146.3170.7-21.134.4000110.4L215 F216 R217 F278P213-L215 PolarHBondContact O-N 3.31Å; P213-L215 VanDerWaalsContact O-N 3.08Å; P213-F216 HydrophobicContact CB-CD2 4.48Å; P213-F216 HydrophobicContact CG-CD2 3.94Å; P213-F216 HydrophobicContact CG-CE2 4.12Å; P213-F216 PolarHBondContact O-N 3.04Å; P213-R217 PolarHBondContact O-N 3.06Å; P213-F278 VanDerWaalsContact CD-CZ 3.41Å; P213-F278 HydrophobicContact CG-CD2 3.93Å; P213-F278 HydrophobicContact CG-CE1 4.31Å; P213-F278 HydrophobicContact CG-CE2 3.31Å; P213-F278 HydrophobicContact CG-CZ 3.54Å
214E87.7Confident82.1Confident149 Ų14959.8 Ų59.870%0.69630%0.304SS*.G310 helixtrans-54.2-35.4-178.6-170.6-175.7164.400113.2F216 R217E214-F216 PolarHBondContact O-N 3.14Å; E214-R217 PolarHBondContact O-N 3.45Å
215L85.6Confident80.5Confident71 Ų7163.5 Ų63.537%0.37233%0.328SS..G310 helixtrans-57-34.5176.1-175.567.9000112.8P213 R218P213-L215 PolarHBondContact O-N 3.31Å; P213-L215 VanDerWaalsContact O-N 3.08Å; L215-R218 WeakPolarHBondContact O-CD 3.42Å
216F89.2Confident79Confident2 Ų258.8 Ų58.81%0.00931%0.306CS..G310 helixtrans-87.4-17-175.4-64.9-9.4000113.1P149 L212 P213 E214 R218 R274 W293 H295P149-F216 WeakPolarHBondContact CB-O 3.22Å; L212-F216 HydrophobicContact CB-CB 4.36Å; P213-F216 HydrophobicContact CB-CD2 4.48Å; P213-F216 HydrophobicContact CG-CD2 3.94Å; P213-F216 HydrophobicContact CG-CE2 4.12Å; P213-F216 PolarHBondContact O-N 3.04Å; E214-F216 PolarHBondContact O-N 3.14Å; F216-R218 VanDerWaalsContact C-N 3.27Å; F216-R218 PolarHBondContact O-N 3Å; F216-R274 HydrophobicContact CE2-CG 4.18Å; F216-R274 HydrophobicContact CZ-CG 4.35Å; F216-R274 PolarHBondContact O-NH2 3.49Å; F216-W293 AromaticContact CE2-CH2 3.89Å; F216-W293 HydrophobicContact CE2-CH2 3.89Å; F216-W293 AromaticContact CE2-CZ2 3.89Å; F216-W293 HydrophobicContact CE2-CZ2 3.89Å; F216-W293 AromaticContact CZ-CH2 3.98Å; F216-W293 HydrophobicContact CZ-CH2 3.98Å; F216-W293 HydrophobicContact CZ-CZ2 4.04Å; F216-H295 AromaticContact CE1-CE1 3.97Å; F216-H295 AromaticContact CE1-NE2 3.77Å; F216-H295 AromaticContact CZ-CE1 3.61Å; F216-H295 AromaticContact CZ-ND1 3.86Å; F216-H295 AromaticContact CZ-NE2 3.73Å
217R85.1Confident77.6Confident102 Ų10260.1 Ų60.139%0.38531%0.313SS..THydrogen-bonded Turntrans-80.88.7-172.8-65.2-172-63.5-151.8-0.1115.4H209 D210 L212 P213 E214 S219H209-R217 WeakPolarHBondContact O-CD 3.4Å; D210-R217 PolarHBondContact O-NH1 3Å; L212-R217 HydrophobicContact CB-CG 3.93Å; P213-R217 PolarHBondContact O-N 3.06Å; E214-R217 PolarHBondContact O-N 3.45Å; R217-S219 PolarHBondContact O-N 2.78Å
218R72.5Confident76Confident183 Ų18366.9 Ų66.969%0.69135%0.349SS*.THydrogen-bonded Turntrans-79.7-21.4-160.2-67.4177.9176.6-179.5-0.9115.9L215 F216L215-R218 WeakPolarHBondContact O-CD 3.42Å; F216-R218 VanDerWaalsContact C-N 3.27Å; F216-R218 PolarHBondContact O-N 3Å
219S72.4Confident75Confident37 Ų3768.4 Ų68.426%0.25935%0.354SS..SBendtrans-120.4-2-155.3-50.40000116.1D153 R217D153-S219 WeakPolarHBondContact OD1-CB 3.47Å; D153-S219 PolarHBondContact OD1-OG 2.8Å; R217-S219 PolarHBondContact O-N 2.78Å
220C72.6Confident74.2Confident27 Ų2775.2 Ų75.218%0.18239%0.389CS..SBendtrans-112.8151.1177.7-141.80000112K147 C152K147-C220 PolarHBondContact O-SG 3.17Å; C152-C220 HydrophobicContact CB-CB 3.65Å; C152-C220 WeakPolarHBondContact CB-SG 3.38Å; C152-C220 WeakPolarHBondContact SG-CB 3.29Å; C152-C220 CovalentContact SG-SG 2.05Å; C152-C220 PolarHBondContact SG-SG 3.36Å
221P68.3Low73.8Confident73 Ų7373.4 Ų73.447%0.47438%0.379SS..  trans-52149.5168.1-26.136.6000111V225P221-V225 HydrophobicContact CB-CB 4.15Å; P221-V225 HydrophobicContact CB-CG1 4.3Å; P221-V225 HydrophobicContact CB-CG2 4.44Å
222A63.8Low73.2Confident59 Ų5970.8 Ų70.849%0.48837%0.373SS..  trans-51.4143.817900000111.1S224 V225A222-S224 PolarHBondContact O-N 2.62Å; A222-V225 WeakPolarHBondContact O-CB 3.4Å; A222-V225 PolarHBondContact O-N 3.47Å
223E62.8Low72.7Confident37 Ų3777 Ų7717%0.17341%0.412CS..Hα-helixtrans-51-35.3-177.8-143.4-174.8135.200111S208 H209 V225 L226 H227S208-E223 PolarHBondContact OG-OE2 2.66Å; H209-E223 PolarHBondContact N-OE2 3.22Å; E223-V225 VanDerWaalsContact C-N 3.31Å; E223-V225 PolarHBondContact O-N 2.88Å; E223-L226 WeakPolarHBondContact O-CA 3.22Å; E223-L226 VanDerWaalsContact O-CB 3.3Å; E223-L226 WeakPolarHBondContact O-CB 3.39Å; E223-L226 PolarHBondContact O-N 3.27Å; E223-H227 PolarHBondContact O-N 3.34Å; E223-H227 PolarHBondContact O-ND1 3Å; E223-H227 IonicContact OE1-CE1 3.73Å; E223-H227 PolarHBondContact OE1-CE1 3.1Å
224S54.8Low72.5Confident74 Ų7477.7 Ų77.752%0.51741%0.414SS..Hα-helixtrans-53.8-39.3174.754.20000114.4A222 L226 H227 D228A222-S224 PolarHBondContact O-N 2.62Å; S224-L226 PolarHBondContact O-N 3.25Å; S224-H227 PolarHBondContact O-N 3.41Å; S224-D228 PolarHBondContact O-N 2.69Å
225V55.5Low72.5Confident89 Ų8975.7 Ų75.754%0.53941%0.414SS..Hα-helixtrans-67.7-26.9177.6-176.80000111.3P221 A222 E223 H227P221-V225 HydrophobicContact CB-CB 4.15Å; P221-V225 HydrophobicContact CB-CG1 4.3Å; P221-V225 HydrophobicContact CB-CG2 4.44Å; A222-V225 WeakPolarHBondContact O-CB 3.4Å; A222-V225 PolarHBondContact O-N 3.47Å; E223-V225 VanDerWaalsContact C-N 3.31Å; E223-V225 PolarHBondContact O-N 2.88Å; V225-H227 VanDerWaalsContact C-N 3.33Å
226L58.1Low72.6Confident10 Ų1073.1 Ų73.15%0.05240%0.4CS..Hα-helixtrans-80.3-14.3174.7-56.6174.1000112.8K147 R197 E223 S224K147-L226 HydrophobicContact CB-CD1 4.16Å; K147-L226 HydrophobicContact CB-CD2 3.94Å; K147-L226 HydrophobicContact CD-CD2 3.41Å; K147-L226 VanDerWaalsContact CD-CD2 3.41Å; K147-L226 HydrophobicContact CG-CD2 4.32Å; R197-L226 PolarHBondContact NH1-O 2.86Å; E223-L226 WeakPolarHBondContact O-CA 3.22Å; E223-L226 VanDerWaalsContact O-CB 3.3Å; E223-L226 WeakPolarHBondContact O-CB 3.39Å; E223-L226 PolarHBondContact O-N 3.27Å; S224-L226 PolarHBondContact O-N 3.25Å
227H62.7Low72.3Confident80 Ų8073.1 Ų73.137%0.3740%0.4SS..Hα-helixtrans-91.4-23179.7-74.280.1000113.1R197 E223 S224 V225 Q229R197-H227 VanDerWaalsContact CD-CD2 3.5Å; R197-H227 WeakPolarHBondContact CD-CD2 3.44Å; R197-H227 PolarHBondContact NE-CD2 2.88Å; R197-H227 PolarHBondContact NE-NE2 2.72Å; R197-H227 PolarHBondContact NH2-CE1 2.79Å; E223-H227 PolarHBondContact O-N 3.34Å; E223-H227 PolarHBondContact O-ND1 3Å; E223-H227 IonicContact OE1-CE1 3.73Å; E223-H227 PolarHBondContact OE1-CE1 3.1Å; S224-H227 PolarHBondContact O-N 3.41Å; V225-H227 VanDerWaalsContact C-N 3.33Å; H227-Q229 PolarHBondContact O-N 3.47Å
228D60Low72.3Confident144 Ų14472.1 Ų72.177%0.7741%0.405SS*.  trans-7419.5179.9-71.6-23.1000114.2S224S224-D228 PolarHBondContact O-N 2.69Å
229Q69.5Low72.8Confident50 Ų5066 Ų6623%0.23439%0.39CS..  trans-78.6137.2-178.8-65.5-172.4-15.900112N189 N190 A194 H227 I231N189-Q229 PolarHBondContact O-NE2 3.46Å; N190-Q229 PolarHBondContact O-OE1 2.57Å; A194-Q229 HydrophobicContact CB-CB 4.17Å; A194-Q229 WeakPolarHBondContact CB-O 3.41Å; H227-Q229 PolarHBondContact O-N 3.47Å; Q229-I231 PolarHBondContact O-N 3.01Å
230I75.7Confident73.5Confident156 Ų15664.2 Ų64.280%0.838%0.378SS*.  trans-62131.9169.2-60.1173.8000108.3S232I230-S232 PolarHBondContact O-N 2.97Å
231I80.1Confident74.4Confident80 Ų8064.4 Ų64.441%0.4138%0.376SS..  trans-60110.6173.7-60.5174.4000108.2A194 Y195 M198 Q229A194-I231 HydrophobicContact CB-CG1 4.02Å; Y195-I231 HydrophobicContact CD2-CG2 4.46Å; M198-I231 HydrophobicContact SD-CD1 4.24Å; Q229-I231 PolarHBondContact O-N 3.01Å
232S78.5Confident75.4Confident31 Ų3170.9 Ų70.922%0.21739%0.391CS..  trans-67.7137.1172.9170.70000109.9I230 D234I230-S232 PolarHBondContact O-N 2.97Å; S232-D234 PolarHBondContact OG-N 3.16Å
233T81.6Confident76.8Confident135 Ų13569.7 Ų69.783%0.82838%0.376SS*.  trans-99.510.7176.655.20000112.4P235T233-P235 WeakPolarHBondContact O-CD 3.48Å
234D86.4Confident78.2Confident43 Ų4367.9 Ų67.923%0.2337%0.368CS..  trans-61.8122.7-180-167.5-45.3000110.3R183 L186 S232 F236 L237R183-D234 IonicContact NE-OD1 3.58Å; R183-D234 IonicContact NE-OD2 2.8Å; R183-D234 PolarHBondContact NE-OD2 2.81Å; L186-D234 HydrophobicContact CD1-CB 4.29Å; L186-D234 WeakPolarHBondContact CD1-OD2 3.33Å; S232-D234 PolarHBondContact OG-N 3.16Å; D234-F236 PolarHBondContact O-N 2.97Å; D234-F236 WeakPolarHBondContact OD1-CB 3.05Å; D234-F236 PolarHBondContact OD1-N 3.36Å; D234-L237 WeakPolarHBondContact O-CB 3.09Å; D234-L237 PolarHBondContact O-N 2.86Å
235P86.3Confident80Confident106 Ų10665 Ų6569%0.68835%0.346SS*.THydrogen-bonded Turntrans-56.2-22.1178.7-26.335000114.6T233 L237 T238T233-P235 WeakPolarHBondContact O-CD 3.48Å; P235-L237 PolarHBondContact O-N 3.07Å; P235-T238 PolarHBondContact O-N 2.97Å
236F88.9Confident81.9Confident17 Ų1762.9 Ų62.98%0.07533%0.332CS..Hα-helixtrans-54.1-35.1172.2177.1-110.1000112L174 L179 R183 L186 L187 D234 T238 S239 V240L174-F236 HydrophobicContact CD2-CE2 4.48Å; L174-F236 HydrophobicContact CD2-CZ 3.92Å; L179-F236 HydrophobicContact CB-CE2 4.33Å; L179-F236 HydrophobicContact CD1-CE2 4.19Å; L179-F236 HydrophobicContact CD1-CZ 4.42Å; L179-F236 HydrophobicContact CD2-CE2 4.44Å; R183-F236 HydrophobicContact CB-CD1 3.86Å; R183-F236 HydrophobicContact CB-CD2 4.11Å; R183-F236 HydrophobicContact CB-CE1 3.65Å; R183-F236 HydrophobicContact CB-CE2 3.91Å; R183-F236 HydrophobicContact CB-CG 4.09Å; R183-F236 HydrophobicContact CB-CZ 3.67Å; R183-F236 HydrophobicContact CG-CB 4.36Å; R183-F236 HydrophobicContact CG-CD1 4.06Å; R183-F236 HydrophobicContact CG-CD2 3.81Å; R183-F236 HydrophobicContact CG-CE1 4.31Å; R183-F236 HydrophobicContact CG-CE2 4.07Å; R183-F236 HydrophobicContact CG-CG 3.81Å; R183-F236 HydrophobicContact CG-CZ 4.31Å; L186-F236 HydrophobicContact CD1-CD1 4.07Å; L187-F236 HydrophobicContact CD1-CE1 4.47Å; L187-F236 HydrophobicContact CD1-CZ 4.41Å; L187-F236 HydrophobicContact CD2-CE1 3.97Å; L187-F236 HydrophobicContact CG-CE1 4.14Å; D234-F236 PolarHBondContact O-N 2.97Å; D234-F236 WeakPolarHBondContact OD1-CB 3.05Å; D234-F236 PolarHBondContact OD1-N 3.36Å; F236-T238 VanDerWaalsContact C-N 3.34Å; F236-T238 PolarHBondContact O-N 2.56Å; F236-S239 WeakPolarHBondContact O-CB 3.37Å; F236-S239 PolarHBondContact O-N 2.62Å; F236-S239 PolarHBondContact O-OG 3.45Å; F236-V240 HydrophobicContact CD1-CG1 4.39Å; F236-V240 HydrophobicContact CD2-CG1 4.36Å; F236-V240 HydrophobicContact CE1-CG1 3.77Å; F236-V240 HydrophobicContact CE2-CG1 3.74Å; F236-V240 HydrophobicContact CZ-CG1 3.41Å; F236-V240 VanDerWaalsContact CZ-CG1 3.41Å; F236-V240 PolarHBondContact O-N 2.8Å; F236-V240 VanDerWaalsContact O-N 3.17Å
237L83.6Confident83.8Confident2 Ų264 Ų641%0.0134%0.34CS..Hα-helixtrans-63.6-38.4-177.3-63.2-167.8000113.3H192 Y195 D234 P235 S239 V240 E241H192-L237 HydrophobicContact CB-CD2 3.56Å; Y195-L237 HydrophobicContact CD1-CB 4.02Å; Y195-L237 HydrophobicContact CE1-CB 4.3Å; Y195-L237 HydrophobicContact CG-CD1 4.44Å; D234-L237 WeakPolarHBondContact O-CB 3.09Å; D234-L237 PolarHBondContact O-N 2.86Å; P235-L237 PolarHBondContact O-N 3.07Å; L237-S239 PolarHBondContact O-N 3.17Å; L237-V240 HydrophobicContact CD2-CG2 4.43Å; L237-V240 VanDerWaalsContact O-CG2 3.31Å; L237-V240 WeakPolarHBondContact O-CG2 3.23Å; L237-V240 PolarHBondContact O-N 3.49Å; L237-E241 PolarHBondContact O-N 3.47Å
238T83.3Confident85.5Confident81 Ų8162 Ų6250%0.49733%0.331SS..Hα-helixtrans-64.6-32.1174.6-49.20000111.7P235 F236P235-T238 PolarHBondContact O-N 2.97Å; F236-T238 VanDerWaalsContact C-N 3.34Å; F236-T238 PolarHBondContact O-N 2.56Å
239S83.4Confident87.3Confident55 Ų5555.1 Ų55.139%0.38530%0.295SS..Hα-helixtrans-72.8-36.1179.275.90000112.6F236 L237F236-S239 WeakPolarHBondContact O-CB 3.37Å; F236-S239 PolarHBondContact O-N 2.62Å; F236-S239 PolarHBondContact O-OG 3.45Å; L237-S239 PolarHBondContact O-N 3.17Å
240V88.6Confident88.7Confident0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-84.8-24.5179.5-61.80000113.5L179 F236 L237 R242 L243 F244L179-V240 HydrophobicContact CD1-CG1 3.71Å; F236-V240 HydrophobicContact CD1-CG1 4.39Å; F236-V240 HydrophobicContact CD2-CG1 4.36Å; F236-V240 HydrophobicContact CE1-CG1 3.77Å; F236-V240 HydrophobicContact CE2-CG1 3.74Å; F236-V240 HydrophobicContact CZ-CG1 3.41Å; F236-V240 VanDerWaalsContact CZ-CG1 3.41Å; F236-V240 PolarHBondContact O-N 2.8Å; F236-V240 VanDerWaalsContact O-N 3.17Å; L237-V240 HydrophobicContact CD2-CG2 4.43Å; L237-V240 VanDerWaalsContact O-CG2 3.31Å; L237-V240 WeakPolarHBondContact O-CG2 3.23Å; L237-V240 PolarHBondContact O-N 3.49Å; V240-R242 VanDerWaalsContact C-N 3.29Å; V240-R242 PolarHBondContact O-N 2.98Å; V240-L243 PolarHBondContact O-N 3.19Å; V240-F244 HydrophobicContact CB-CD1 4.18Å; V240-F244 HydrophobicContact CB-CD2 4.43Å; V240-F244 HydrophobicContact CB-CE1 3.87Å; V240-F244 HydrophobicContact CB-CE2 4.14Å; V240-F244 HydrophobicContact CB-CG 4.46Å; V240-F244 HydrophobicContact CB-CZ 3.84Å; V240-F244 HydrophobicContact CG1-CE1 4.29Å; V240-F244 HydrophobicContact CG1-CZ 4.23Å; V240-F244 HydrophobicContact CG2-CD2 4.41Å; V240-F244 HydrophobicContact CG2-CE2 4.07Å; V240-F244 HydrophobicContact CG2-CZ 4.2Å; V240-F244 WeakPolarHBondContact O-CG 3.28Å; V240-F244 PolarHBondContact O-N 2.93Å
241E89.7Confident89.7Confident31 Ų3145.3 Ų45.315%0.14525%0.246CC..Hα-helixtrans-50.3-49.6179.7176.2174-15500111.9Y195 L196 T199 L237 L243 F244 F245Y195-E241 HydrophobicContact CE1-CB 4.36Å; Y195-E241 PolarHBondContact OH-OE2 3.28Å; L196-E241 HydrophobicContact CD2-CB 3.69Å; L196-E241 HydrophobicContact CD2-CG 3.7Å; T199-E241 WeakPolarHBondContact CB-OE1 3.42Å; T199-E241 PolarHBondContact OG1-OE1 3.39Å; L237-E241 PolarHBondContact O-N 3.47Å; E241-L243 VanDerWaalsContact C-N 3.27Å; E241-L243 PolarHBondContact O-N 3.02Å; E241-F244 PolarHBondContact O-N 3.47Å; E241-F245 HydrophobicContact CG-CD2 3.8Å; E241-F245 HydrophobicContact CG-CE2 3.76Å; E241-F245 WeakPolarHBondContact O-CD2 3.36Å; E241-F245 PolarHBondContact O-N 3.19Å
242R89.8Confident90.6Very high209 Ų20941.5 Ų41.579%0.78923%0.226SC*.Hα-helixtrans-62.7-36.4-178.9-65.7-174.9-178.2-161.50.4112.3V240 D246V240-R242 VanDerWaalsContact C-N 3.29Å; V240-R242 PolarHBondContact O-N 2.98Å; R242-D246 PolarHBondContact O-N 3.06Å
243L93.4Very high91.5Very high33 Ų3340.2 Ų40.217%0.17322%0.217CC..Hα-helixtrans-75.8-41.9-177.5-63.3168.1000111.5F74 L177 L179 V240 E241 F245 D246F74-L243 HydrophobicContact CD1-CD2 4.06Å; F74-L243 HydrophobicContact CE1-CD2 3.98Å; L177-L243 HydrophobicContact CB-CD1 4.36Å; L177-L243 HydrophobicContact CD1-CD1 4.11Å; L177-L243 HydrophobicContact CD2-CB 4.5Å; L177-L243 HydrophobicContact CD2-CD1 4.09Å; L177-L243 HydrophobicContact CD2-CD2 4.11Å; L177-L243 HydrophobicContact CD2-CG 4.46Å; L177-L243 HydrophobicContact CG-CD1 4.41Å; L179-L243 HydrophobicContact CD1-CD1 4.07Å; V240-L243 PolarHBondContact O-N 3.19Å; E241-L243 VanDerWaalsContact C-N 3.27Å; E241-L243 PolarHBondContact O-N 3.02Å; L243-F245 PolarHBondContact O-N 2.79Å; L243-D246 PolarHBondContact O-N 3.27Å; L243-D246 VanDerWaalsContact O-N 3.1Å
244F93.4Very high92.2Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-71-17.2-176.8-70.16.8000113.1M143 L144 L187 L196 V240 E241 F249 C250M143-F244 HydrophobicContact CB-CB 4.49Å; M143-F244 HydrophobicContact CB-CD1 3.53Å; M143-F244 HydrophobicContact CB-CD2 3.94Å; M143-F244 HydrophobicContact CB-CE1 3.57Å; M143-F244 HydrophobicContact CB-CE2 3.96Å; M143-F244 HydrophobicContact CB-CG 3.74Å; M143-F244 HydrophobicContact CB-CZ 3.78Å; M143-F244 HydrophobicContact CE-CE1 3.66Å; M143-F244 HydrophobicContact CE-CZ 3.76Å; M143-F244 HydrophobicContact CG-CD1 4.15Å; M143-F244 HydrophobicContact CG-CE1 4Å; M143-F244 HydrophobicContact CG-CZ 4.49Å; M143-F244 WeakPolarHBondContact O-CD2 3.37Å; M143-F244 VanDerWaalsContact O-CE2 3.26Å; M143-F244 WeakPolarHBondContact O-CE2 3.47Å; L144-F244 HydrophobicContact CD2-CB 3.78Å; L144-F244 HydrophobicContact CD2-CD2 4.2Å; L144-F244 HydrophobicContact CD2-CG 4.49Å; L187-F244 HydrophobicContact CD1-CZ 4.2Å; L187-F244 HydrophobicContact CD2-CE2 3.85Å; L187-F244 HydrophobicContact CD2-CZ 3.67Å; L196-F244 HydrophobicContact CD1-CD2 3.92Å; V240-F244 HydrophobicContact CB-CD1 4.18Å; V240-F244 HydrophobicContact CB-CD2 4.43Å; V240-F244 HydrophobicContact CB-CE1 3.87Å; V240-F244 HydrophobicContact CB-CE2 4.14Å; V240-F244 HydrophobicContact CB-CG 4.46Å; V240-F244 HydrophobicContact CB-CZ 3.84Å; V240-F244 HydrophobicContact CG1-CE1 4.29Å; V240-F244 HydrophobicContact CG1-CZ 4.23Å; V240-F244 HydrophobicContact CG2-CD2 4.41Å; V240-F244 HydrophobicContact CG2-CE2 4.07Å; V240-F244 HydrophobicContact CG2-CZ 4.2Å; V240-F244 WeakPolarHBondContact O-CG 3.28Å; V240-F244 PolarHBondContact O-N 2.93Å; E241-F244 PolarHBondContact O-N 3.47Å; F244-F249 HydrophobicContact CD1-CE1 4.45Å; F244-C250 WeakPolarHBondContact O-CB 3.42Å
245F92.2Very high92.5Very high14 Ų1440.3 Ų40.36%0.06121%0.21CC..THydrogen-bonded Turntrans-105.41.4173.1-61.1-55.6000113.6L144 L196 K200 F203 E241 L243 P247L144-F245 HydrophobicContact CD1-CD1 4.45Å; L144-F245 HydrophobicContact CD1-CE1 3.78Å; L144-F245 HydrophobicContact CD2-CD1 4.4Å; L144-F245 HydrophobicContact CD2-CE1 3.81Å; L144-F245 HydrophobicContact CD2-CZ 4.12Å; L144-F245 HydrophobicContact CG-CE1 4.43Å; L196-F245 HydrophobicContact CB-CE2 4.47Å; L196-F245 HydrophobicContact CB-CZ 4.08Å; L196-F245 HydrophobicContact CD1-CZ 4.44Å; L196-F245 HydrophobicContact CD2-CE2 3.9Å; L196-F245 HydrophobicContact CD2-CZ 4.34Å; K200-F245 HydrophobicContact CB-CE1 3.96Å; K200-F245 HydrophobicContact CB-CE2 3.93Å; K200-F245 HydrophobicContact CB-CZ 3.56Å; K200-F245 HydrophobicContact CD-CB 4.37Å; K200-F245 HydrophobicContact CD-CD1 4.04Å; K200-F245 HydrophobicContact CD-CD2 3.42Å; K200-F245 VanDerWaalsContact CD-CD2 3.42Å; K200-F245 HydrophobicContact CD-CE1 4.12Å; K200-F245 HydrophobicContact CD-CE2 3.5Å; K200-F245 VanDerWaalsContact CD-CE2 3.5Å; K200-F245 HydrophobicContact CD-CG 3.7Å; K200-F245 HydrophobicContact CD-CZ 3.87Å; K200-F245 VanDerWaalsContact CE-CD2 3.44Å; K200-F245 HydrophobicContact CG-CD2 4.22Å; K200-F245 HydrophobicContact CG-CE2 3.78Å; K200-F245 HydrophobicContact CG-CZ 3.97Å; K200-F245 VanDerWaalsContact NZ-CD2 3.34Å; F203-F245 HydrophobicContact CB-CD1 4.18Å; F203-F245 HydrophobicContact CB-CE1 3.68Å; F203-F245 AromaticContact CD1-CD1 3.35Å; F203-F245 HydrophobicContact CD1-CD1 3.35Å; F203-F245 AromaticContact CD1-CE1 3.77Å; F203-F245 HydrophobicContact CD1-CE1 3.77Å; F203-F245 HydrophobicContact CD1-CG 4.41Å; F203-F245 HydrophobicContact CD2-CD1 4.26Å; F203-F245 HydrophobicContact CD2-CE1 4.18Å; F203-F245 HydrophobicContact CE1-CB 4.29Å; F203-F245 AromaticContact CE1-CD1 3.7Å; F203-F245 HydrophobicContact CE1-CD1 3.7Å; F203-F245 HydrophobicContact CE1-CE1 4.48Å; F203-F245 HydrophobicContact CE1-CG 4.38Å; F203-F245 AromaticContact CG-CD1 3.68Å; F203-F245 HydrophobicContact CG-CD1 3.68Å; F203-F245 AromaticContact CG-CE1 3.61Å; F203-F245 HydrophobicContact CG-CE1 3.61Å; F203-F245 HydrophobicContact CZ-CD1 4.31Å; E241-F245 HydrophobicContact CG-CD2 3.8Å; E241-F245 HydrophobicContact CG-CE2 3.76Å; E241-F245 WeakPolarHBondContact O-CD2 3.36Å; E241-F245 PolarHBondContact O-N 3.19Å; L243-F245 PolarHBondContact O-N 2.79Å; F245-P247 WeakPolarHBondContact O-CD 3.47Å
246D95.5Very high92.9Very high43 Ų4338.8 Ų38.823%0.2320%0.196CC..  trans-79.4115.3175.2-170.5-26.1000109.1R242 L243 N248 F249 C250R242-D246 PolarHBondContact O-N 3.06Å; L243-D246 PolarHBondContact O-N 3.27Å; L243-D246 VanDerWaalsContact O-N 3.1Å; D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 VanDerWaalsContact O-N 3.14Å; D246-N248 VanDerWaalsContact OD1-CB 3.27Å; D246-N248 WeakPolarHBondContact OD1-CB 3.5Å; D246-N248 PolarHBondContact OD1-N 3.34Å; D246-N248 PolarHBondContact OD1-ND2 2.89Å; D246-F249 PolarHBondContact O-N 3.22Å; D246-C250 PolarHBondContact O-N 2.9Å
247P97.3Very high93.4Very high35 Ų3538 Ų3823%0.22719%0.193CC..THydrogen-bonded Turntrans-66-14.8-179.828.5-36.1000113.4F245 F249 P251 F254F245-P247 WeakPolarHBondContact O-CD 3.47Å; P247-F249 PolarHBondContact O-N 2.98Å; P247-P251 VanDerWaalsContact O-CA 3.26Å; P247-P251 WeakPolarHBondContact O-CA 3.13Å; P247-P251 WeakPolarHBondContact O-CB 3.48Å; P247-F254 HydrophobicContact CB-CB 4Å; P247-F254 HydrophobicContact CB-CD2 3.65Å; P247-F254 HydrophobicContact CB-CG 4.32Å; P247-F254 HydrophobicContact CG-CD2 3.93Å
248N98.2Very high94Very high36 Ų3640.3 Ų40.319%0.19321%0.209CC..THydrogen-bonded Turntrans-72.6-12.7171.8-58.3-72.7000112.7F74 V78 V117 R121 D246F74-N248 HydrophobicContact CE2-CB 4.02Å; F74-N248 HydrophobicContact CZ-CB 4.02Å; V78-N248 HydrophobicContact CG1-CB 4.44Å; V78-N248 WeakPolarHBondContact CG2-O 3.35Å; V117-N248 HydrophobicContact CG1-CB 4.31Å; V117-N248 WeakPolarHBondContact CG2-O 3.34Å; R121-N248 VanDerWaalsContact CD-OD1 3.27Å; R121-N248 WeakPolarHBondContact CD-OD1 3.1Å; R121-N248 WeakPolarHBondContact CG-OD1 3.41Å; R121-N248 PolarHBondContact NH1-OD1 3.07Å; D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 VanDerWaalsContact O-N 3.14Å; D246-N248 VanDerWaalsContact OD1-CB 3.27Å; D246-N248 WeakPolarHBondContact OD1-CB 3.5Å; D246-N248 PolarHBondContact OD1-N 3.34Å; D246-N248 PolarHBondContact OD1-ND2 2.89Å
249F98.2Very high94.7Very high0 Ų040.2 Ų40.20%022%0.224CC..THydrogen-bonded Turntrans-117.8-46.3175.7178-129000112.1F38 F74 N113 F140 M143 M173 Y176 L177 F244 D246 P247 P251F38-F249 HydrophobicContact CE2-CE2 4.41Å; F74-F249 HydrophobicContact CD2-CB 4.22Å; F74-F249 HydrophobicContact CE2-CB 3.71Å; F74-F249 HydrophobicContact CZ-CB 4.01Å; N113-F249 PolarHBondContact ND2-O 3.01Å; F140-F249 HydrophobicContact CE1-CD2 4.37Å; F140-F249 AromaticContact CE1-CE2 3.72Å; F140-F249 HydrophobicContact CE1-CE2 3.72Å; F140-F249 AromaticContact CE1-CZ 3.98Å; F140-F249 HydrophobicContact CE1-CZ 3.98Å; F140-F249 HydrophobicContact CZ-CE2 4.27Å; F140-F249 HydrophobicContact CZ-CZ 4.07Å; M143-F249 HydrophobicContact CG-CE1 3.66Å; M143-F249 HydrophobicContact CG-CZ 3.9Å; M143-F249 HydrophobicContact SD-CZ 4.42Å; M173-F249 HydrophobicContact CB-CZ 4.13Å; M173-F249 HydrophobicContact CG-CZ 4.19Å; M173-F249 HydrophobicContact SD-CE2 3.67Å; M173-F249 HydrophobicContact SD-CZ 3.77Å; Y176-F249 HydrophobicContact CD1-CD2 4.08Å; Y176-F249 AromaticContact CD1-CE2 3.77Å; Y176-F249 HydrophobicContact CD1-CE2 3.77Å; Y176-F249 AromaticContact CE1-CD2 3.88Å; Y176-F249 HydrophobicContact CE1-CD2 3.88Å; Y176-F249 HydrophobicContact CE1-CE2 4.05Å; L177-F249 HydrophobicContact CD1-CD1 4.4Å; L177-F249 HydrophobicContact CD1-CE1 3.62Å; L177-F249 HydrophobicContact CD1-CZ 3.83Å; L177-F249 HydrophobicContact CD2-CD1 4.06Å; L177-F249 HydrophobicContact CD2-CD2 4.4Å; L177-F249 HydrophobicContact CD2-CE1 3.99Å; L177-F249 HydrophobicContact CD2-CE2 4.33Å; L177-F249 HydrophobicContact CD2-CG 4.28Å; L177-F249 HydrophobicContact CD2-CZ 4.13Å; L177-F249 HydrophobicContact CG-CE1 4.18Å; L177-F249 HydrophobicContact CG-CZ 4.11Å; F244-F249 HydrophobicContact CD1-CE1 4.45Å; D246-F249 PolarHBondContact O-N 3.22Å; P247-F249 PolarHBondContact O-N 2.98Å; F249-P251 WeakPolarHBondContact O-CD 3.49Å
250C97.9Very high95.4Very high0 Ų038 Ų380%021%0.208CC..  trans-109.671.6175.7-65.10000110.7L141 F244 D246 L252 F253L141-C250 CarbonylContact O-C 3.38Å; L141-C250 VanDerWaalsContact O-C 3.3Å; L141-C250 WeakPolarHBondContact O-CA 3.32Å; F244-C250 WeakPolarHBondContact O-CB 3.42Å; D246-C250 PolarHBondContact O-N 2.9Å; C250-L252 PolarHBondContact O-N 3.12Å; C250-F253 HydrophobicContact CB-CD2 3.61Å; C250-F253 HydrophobicContact CB-CE2 3.89Å; C250-F253 PolarHBondContact O-N 3.37Å
251P98.4Very high95.8Very high0 Ų038.9 Ų38.90%021%0.214CC..G310 helixtrans-64.7-11-174.628.5-38.4000113.9N113 A116 V117 Q120 L141 P247 F249 F253 F254N113-P251 WeakPolarHBondContact ND2-CD 3.24Å; N113-P251 WeakPolarHBondContact ND2-CG 3.44Å; A116-P251 HydrophobicContact CB-CB 3.8Å; A116-P251 HydrophobicContact CB-CG 3.81Å; V117-P251 HydrophobicContact CG2-CB 3.84Å; V117-P251 HydrophobicContact CG2-CG 3.89Å; Q120-P251 PolarHBondContact NE2-O 3.31Å; L141-P251 HydrophobicContact CD2-CG 3.66Å; P247-P251 VanDerWaalsContact O-CA 3.26Å; P247-P251 WeakPolarHBondContact O-CA 3.13Å; P247-P251 WeakPolarHBondContact O-CB 3.48Å; F249-P251 WeakPolarHBondContact O-CD 3.49Å; P251-F253 PolarHBondContact O-N 3.17Å; P251-F253 VanDerWaalsContact O-N 3.14Å; P251-F254 PolarHBondContact O-N 3.07Å
252L98Very high96.2Very high0 Ų039.2 Ų39.20%022%0.218CC..G310 helixtrans-56.6-24.8169.4-167141.9000111.9L141 Q142 H206 I207 C250 E276 W279 R283L141-L252 HydrophobicContact CB-CB 4.04Å; L141-L252 HydrophobicContact CB-CD1 4.32Å; L141-L252 VanDerWaalsContact O-CB 3.29Å; L141-L252 WeakPolarHBondContact O-CB 3.21Å; L141-L252 PolarHBondContact O-N 2.84Å; Q142-L252 HydrophobicContact CB-CB 4.3Å; Q142-L252 HydrophobicContact CB-CD1 4.38Å; Q142-L252 HydrophobicContact CG-CD1 4.39Å; H206-L252 HydrophobicContact CB-CD2 4.06Å; I207-L252 HydrophobicContact CG2-CD1 4.06Å; I207-L252 HydrophobicContact CG2-CD2 3.33Å; I207-L252 HydrophobicContact CG2-CG 4.38Å; C250-L252 PolarHBondContact O-N 3.12Å; L252-E276 HydrophobicContact CD1-CB 4.1Å; L252-W279 HydrophobicContact CD1-CB 3.88Å; L252-W279 HydrophobicContact CD1-CE3 4.28Å; L252-R283 WeakPolarHBondContact O-CD 3.36Å; L252-R283 VanDerWaalsContact O-CZ 3.26Å; L252-R283 PolarHBondContact O-NH1 3.3Å
253F96.4Very high96.7Very high4 Ų429.3 Ų29.32%0.01818%0.181CC..G310 helixtrans-105.314.5-174.8-52.9-61.5000114.8Q142 L144 F203 I207 C250 P251 D255Q142-F253 HydrophobicContact CB-CE2 3.75Å; Q142-F253 HydrophobicContact CB-CZ 3.79Å; L144-F253 HydrophobicContact CB-CZ 4.19Å; L144-F253 HydrophobicContact CD1-CE1 3.68Å; L144-F253 HydrophobicContact CD1-CE2 3.7Å; L144-F253 HydrophobicContact CD1-CZ 3.22Å; L144-F253 HydrophobicContact CG-CE1 4.48Å; L144-F253 HydrophobicContact CG-CE2 3.71Å; L144-F253 HydrophobicContact CG-CZ 3.56Å; F203-F253 HydrophobicContact CB-CD1 4.17Å; F203-F253 HydrophobicContact CB-CE1 4.33Å; F203-F253 HydrophobicContact CD1-CB 3.49Å; F203-F253 VanDerWaalsContact CD1-CB 3.49Å; F203-F253 AromaticContact CD1-CD1 3.68Å; F203-F253 HydrophobicContact CD1-CD1 3.68Å; F203-F253 HydrophobicContact CD1-CD2 4.33Å; F203-F253 AromaticContact CD1-CG 3.58Å; F203-F253 HydrophobicContact CD1-CG 3.58Å; F203-F253 HydrophobicContact CE1-CB 3.56Å; F203-F253 HydrophobicContact CE1-CG 4.17Å; F203-F253 HydrophobicContact CG-CD1 4.38Å; F203-F253 WeakPolarHBondContact O-CE1 3.38Å; I207-F253 HydrophobicContact CD1-CZ 4.4Å; I207-F253 HydrophobicContact CG2-CE1 3.9Å; I207-F253 HydrophobicContact CG2-CZ 4.08Å; C250-F253 HydrophobicContact CB-CD2 3.61Å; C250-F253 HydrophobicContact CB-CE2 3.89Å; C250-F253 PolarHBondContact O-N 3.37Å; P251-F253 PolarHBondContact O-N 3.17Å; P251-F253 VanDerWaalsContact O-N 3.14Å; F253-D255 PolarHBondContact O-N 3.22Å
254F96.9Very high96.9Very high47 Ų4727.8 Ų27.821%0.20617%0.173CC..  trans-61.6133.6171.6-168.1-113.6000110.7Q120 K123 P247 P251 D256 L257 R283Q120-F254 HydrophobicContact CB-CD1 3.98Å; Q120-F254 HydrophobicContact CB-CD2 4.22Å; Q120-F254 HydrophobicContact CB-CE1 3.9Å; Q120-F254 HydrophobicContact CB-CE2 4.17Å; Q120-F254 HydrophobicContact CB-CG 4.12Å; Q120-F254 HydrophobicContact CB-CZ 4Å; Q120-F254 VanDerWaalsContact CD-CB 3.47Å; Q120-F254 HydrophobicContact CG-CB 4.25Å; Q120-F254 HydrophobicContact CG-CD1 3.66Å; Q120-F254 HydrophobicContact CG-CD2 4.47Å; Q120-F254 HydrophobicContact CG-CE1 4.02Å; Q120-F254 HydrophobicContact CG-CG 3.89Å; Q120-F254 VanDerWaalsContact OE1-CB 3.31Å; K123-F254 HydrophobicContact CD-CE1 4.13Å; P247-F254 HydrophobicContact CB-CB 4Å; P247-F254 HydrophobicContact CB-CD2 3.65Å; P247-F254 HydrophobicContact CB-CG 4.32Å; P247-F254 HydrophobicContact CG-CD2 3.93Å; P251-F254 PolarHBondContact O-N 3.07Å; F254-D256 WeakPolarHBondContact CD1-O 3.35Å; F254-D256 WeakPolarHBondContact CE1-O 3.44Å; F254-L257 HydrophobicContact CB-CD2 4.13Å; F254-L257 HydrophobicContact CD1-CD2 4.09Å; F254-R283 PolarHBondContact O-NH1 3.16Å; F254-R283 PolarHBondContact O-NH2 2.72Å
255D93Very high97.2Very high134 Ų13427.8 Ų27.872%0.71717%0.173SC*.SBendtrans-67.6-53.4-170.6-70.3-31.8000112.2F253F253-D255 PolarHBondContact O-N 3.22Å
256D95.5Very high97.5Very high74 Ų7427.1 Ų27.140%0.39617%0.17SC..  trans-108.788.9-174.5176.821.8000111.6K123 F254 S258K123-D256 PolarHBondContact NZ-O 3.13Å; K123-D256 IonicContact NZ-OD1 3.43Å; K123-D256 PolarHBondContact NZ-OD1 2.97Å; K123-D256 IonicContact NZ-OD2 3.63Å; K123-D256 PolarHBondContact NZ-OD2 3.27Å; F254-D256 WeakPolarHBondContact CD1-O 3.35Å; F254-D256 WeakPolarHBondContact CE1-O 3.44Å; D256-S258 PolarHBondContact O-N 2.85Å; D256-S258 VanDerWaalsContact OD1-CB 3.23Å; D256-S258 WeakPolarHBondContact OD1-CB 3.46Å; D256-S258 PolarHBondContact OD1-N 2.91Å; D256-S258 PolarHBondContact OD1-OG 2.85Å
257L98Very high97.6Very high0 Ų025 Ų250%016%0.159CC..  trans-79.6-2.8174.3-66.9175.5000113.6F254 L260 Y280 R283 L284 N287 V289F254-L257 HydrophobicContact CB-CD2 4.13Å; F254-L257 HydrophobicContact CD1-CD2 4.09Å; L257-L260 HydrophobicContact CB-CD1 4.14Å; L257-L260 HydrophobicContact CD2-CD1 3.54Å; L257-L260 HydrophobicContact CG-CD1 4.44Å; L257-L260 VanDerWaalsContact O-CG 3.32Å; L257-L260 WeakPolarHBondContact O-CG 3.38Å; L257-Y280 HydrophobicContact CD1-CE2 4.47Å; L257-Y280 HydrophobicContact CD2-CE2 3.92Å; L257-R283 HydrophobicContact CD1-CB 3.53Å; L257-R283 VanDerWaalsContact CD1-NH1 3.3Å; L257-L284 HydrophobicContact CB-CD2 4.26Å; L257-L284 HydrophobicContact CD1-CD2 4.36Å; L257-L284 HydrophobicContact CD2-CD2 4.2Å; L257-N287 HydrophobicContact CB-CB 3.81Å; L257-V289 WeakPolarHBondContact O-CG2 3.42Å
258S97Very high97.5Very high51 Ų5123.4 Ų23.436%0.35715%0.148SC..THydrogen-bonded Turntrans-67.3149.5-179.176.90000111.4K123 D256 L260K123-S258 PolarHBondContact NZ-O 3.13Å; D256-S258 PolarHBondContact O-N 2.85Å; D256-S258 VanDerWaalsContact OD1-CB 3.23Å; D256-S258 WeakPolarHBondContact OD1-CB 3.46Å; D256-S258 PolarHBondContact OD1-N 2.91Å; D256-S258 PolarHBondContact OD1-OG 2.85Å; S258-L260 PolarHBondContact O-N 3.05Å; S258-L260 VanDerWaalsContact O-N 3.1Å
259G96.8Very high97.2Very high78 Ų7824.1 Ų24.180%0.80415%0.151SC*.THydrogen-bonded Turntrans69.43.2178.800000115.5
260L98.4Very high97Very high9 Ų928.3 Ų28.35%0.04717%0.169CC..PPolyproline II helixtrans-63.1153.2170.2-70.8-179000111.1Q120 K123 L257 S258 L284 V289Q120-L260 HydrophobicContact CG-CD1 4.06Å; Q120-L260 HydrophobicContact CG-CD2 4.32Å; K123-L260 HydrophobicContact CD-CD2 3.69Å; K123-L260 HydrophobicContact CD-CG 4.37Å; K123-L260 HydrophobicContact CG-CD2 3.96Å; L257-L260 HydrophobicContact CB-CD1 4.14Å; L257-L260 HydrophobicContact CD2-CD1 3.54Å; L257-L260 HydrophobicContact CG-CD1 4.44Å; L257-L260 VanDerWaalsContact O-CG 3.32Å; L257-L260 WeakPolarHBondContact O-CG 3.38Å; S258-L260 PolarHBondContact O-N 3.05Å; S258-L260 VanDerWaalsContact O-N 3.1Å; L260-L284 HydrophobicContact CB-CD2 4.42Å; L260-L284 HydrophobicContact CD1-CD2 3.73Å; L260-V289 HydrophobicContact CB-CG2 4.03Å
261P98.2Very high96.9Very high19 Ų1928.5 Ų28.512%0.12317%0.17CC..PPolyproline II helixtrans-61.4153179.327.1-36000111T119 I131 Q134 V289T119-P261 HydrophobicContact CG2-CG 3.7Å; I131-P261 HydrophobicContact CB-CB 4.19Å; I131-P261 HydrophobicContact CB-CG 4.07Å; I131-P261 HydrophobicContact CG2-CB 4.08Å; I131-P261 HydrophobicContact CG2-CG 3.94Å; I131-P261 WeakPolarHBondContact O-CB 3.48Å; Q134-P261 HydrophobicContact CB-CG 4.19Å; Q134-P261 HydrophobicContact CG-CG 4.25Å; Q134-P261 PolarHBondContact NE2-O 3.23Å; P261-V289 WeakPolarHBondContact O-CG1 3.24Å
262P98.4Very high96.7Very high37 Ų3728.6 Ų28.624%0.2417%0.171CC..PPolyproline II helixtrans-48.6143.9172.4-27.235.5000111.5L133 Q134 A290L133-P262 WeakPolarHBondContact CA-O 3.32Å; L133-P262 HydrophobicContact CD1-CB 4.06Å; L133-P262 VanDerWaalsContact CD1-O 3.28Å; L133-P262 WeakPolarHBondContact CD1-O 3.5Å; Q134-P262 WeakPolarHBondContact CG-O 3.4Å; Q134-P262 PolarHBondContact N-O 3.49Å; P262-A290 CarbonylContact C-O 3.3Å; P262-A290 VanDerWaalsContact CA-O 3.27Å; P262-A290 WeakPolarHBondContact CA-O 3.45Å; P262-A290 HydrophobicContact CB-CB 4.14Å; P262-A290 HydrophobicContact CG-CB 4.41Å
263A98.6Very high96.6Very high2 Ų228.6 Ų28.62%0.01717%0.171CC..EExtended strand (participates in β ladder)trans-119.4134.6-173.200000112.4Q134 I265 L284 A290 V291 S292Q134-A263 HydrophobicContact CG-CB 3.54Å; Q134-A263 CarbonylContact O-C 3.58Å; Q134-A263 VanDerWaalsContact O-CA 3.29Å; Q134-A263 WeakPolarHBondContact O-CA 3.32Å; A263-I265 HydrophobicContact CB-CD1 4.45Å; A263-I265 HydrophobicContact CB-CG1 4.39Å; A263-L284 HydrophobicContact CB-CD1 3.73Å; A263-A290 PolarHBondContact N-O 3.3Å; A263-V291 HydrophobicContact CB-CG2 4.36Å; A263-V291 CarbonylContact O-C 3.33Å; A263-V291 WeakPolarHBondContact O-CA 3.01Å; A263-S292 PolarHBondContact O-N 3.14Å
264L98.6Very high96.6Very high0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-104.6117.1157.4172.959.1000108.1Q134 V135 L136 V266 S292 W294 I320 F323Q134-L264 PolarHBondContact O-N 2.93Å; V135-L264 CarbonylContact C-O 3.56Å; V135-L264 WeakPolarHBondContact CA-O 3.12Å; V135-L264 HydrophobicContact CG1-CB 4.31Å; V135-L264 HydrophobicContact CG1-CD2 4.12Å; V135-L264 HydrophobicContact CG1-CG 4.27Å; V135-L264 HydrophobicContact CG2-CB 4.27Å; L136-L264 PolarHBondContact N-O 3.45Å; L264-V266 HydrophobicContact CD1-CG2 4.4Å; L264-V266 HydrophobicContact CG-CG2 4.25Å; L264-S292 CarbonylContact C-O 3.59Å; L264-S292 WeakPolarHBondContact CA-O 3.17Å; L264-S292 WeakPolarHBondContact CD1-O 3.46Å; L264-W294 HydrophobicContact CD1-CD2 3.61Å; L264-W294 HydrophobicContact CD1-CE3 4.14Å; L264-W294 HydrophobicContact CD1-CG 3.85Å; L264-W294 HydrophobicContact CD1-CZ2 4.03Å; L264-W294 HydrophobicContact CD2-CE3 4.4Å; L264-W294 HydrophobicContact CD2-CH2 4.1Å; L264-W294 HydrophobicContact CD2-CZ2 4.29Å; L264-W294 HydrophobicContact CD2-CZ3 4.17Å; L264-I320 HydrophobicContact CD2-CG1 3.97Å; L264-I320 HydrophobicContact CD2-CG2 4.41Å; L264-F323 HydrophobicContact CB-CD1 4.34Å; L264-F323 HydrophobicContact CB-CE1 3.89Å; L264-F323 HydrophobicContact CD2-CD1 3.76Å; L264-F323 HydrophobicContact CD2-CE1 4.14Å; L264-F323 HydrophobicContact CD2-CG 4.25Å; L264-F323 HydrophobicContact CG-CE1 4.47Å
265I98.7Very high96.6Very high0 Ų026.2 Ų26.20%016%0.16CC..EExtended strand (participates in β ladder)trans-112.9124176.4-63.9167.1000108.2L136 A263 T267 Y280 A281 L284 V291 S292 W293 W294L136-I265 HydrophobicContact CB-CG1 4.3Å; L136-I265 HydrophobicContact CD1-CG1 4.13Å; L136-I265 CarbonylContact O-C 3.54Å; L136-I265 WeakPolarHBondContact O-CA 3.27Å; A263-I265 HydrophobicContact CB-CD1 4.45Å; A263-I265 HydrophobicContact CB-CG1 4.39Å; I265-T267 HydrophobicContact CG2-CG2 4.25Å; I265-Y280 HydrophobicContact CD1-CD1 3.76Å; I265-Y280 HydrophobicContact CD1-CE1 4.41Å; I265-A281 HydrophobicContact CB-CB 4.42Å; I265-A281 VanDerWaalsContact CD1-CA 3.46Å; I265-A281 HydrophobicContact CD1-CB 3.58Å; I265-L284 HydrophobicContact CD1-CD1 3.81Å; I265-V291 HydrophobicContact CD1-CG1 4.4Å; I265-S292 PolarHBondContact N-O 3.26Å; I265-W293 CarbonylContact O-C 3.43Å; I265-W293 WeakPolarHBondContact O-CA 3.34Å; I265-W294 PolarHBondContact O-N 2.89Å
266V98.4Very high96.8Very high0 Ų020 Ų200%013%0.127CC..EExtended strand (participates in β ladder)trans-108.7126.9176.4-1740000108L136 I137 Y138 L264 W294 L296 I320L136-V266 PolarHBondContact O-N 3.36Å; I137-V266 HydrophobicContact CG1-CB 4.44Å; I137-V266 HydrophobicContact CG1-CG2 4.41Å; I137-V266 HydrophobicContact CG2-CB 4.4Å; Y138-V266 WeakPolarHBondContact CA-O 3.32Å; Y138-V266 PolarHBondContact N-O 3.35Å; L264-V266 HydrophobicContact CD1-CG2 4.4Å; L264-V266 HydrophobicContact CG-CG2 4.25Å; V266-W294 CarbonylContact C-O 3.58Å; V266-W294 VanDerWaalsContact CA-O 3.27Å; V266-W294 WeakPolarHBondContact CA-O 3.5Å; V266-W294 HydrophobicContact CG2-CB 4.38Å; V266-W294 HydrophobicContact CG2-CE3 4.38Å; V266-L296 HydrophobicContact CG1-CD1 3.86Å; V266-L296 HydrophobicContact CG1-CD2 4.33Å; V266-L296 HydrophobicContact CG1-CG 3.85Å; V266-I320 HydrophobicContact CG2-CD1 4.2Å
267T97.6Very high96.9Very high0 Ų016.4 Ų16.40%011%0.108CC..EExtended strand (participates in β ladder)trans-119.7160.3170.763.60000110.4I265 W293 W294 H295 L296I265-T267 HydrophobicContact CG2-CG2 4.25Å; T267-W293 PolarHBondContact OG1-NE1 3.49Å; T267-W294 PolarHBondContact N-O 3.09Å; T267-H295 CarbonylContact O-C 3.49Å; T267-H295 WeakPolarHBondContact O-CA 3.48Å; T267-H295 PolarHBondContact OG1-ND1 3.39Å; T267-L296 PolarHBondContact O-N 3.23Å
268S95.5Very high96.9Very high0 Ų016.6 Ų16.60%011%0.108CC..EExtended strand (participates in β ladder)trans-117.3146.3179.3-700000109.7R274S268-R274 WeakPolarHBondContact O-CB 3.43Å; S268-R274 WeakPolarHBondContact O-CG 3.44Å
269E93.3Very high96.9Very high52 Ų5214.2 Ų14.224%0.2439%0.092CC..EExtended strand (participates in β ladder)trans-66.7-45.7179.1176.865.816700112.2D271 R274 H295 L296 K297E269-D271 VanDerWaalsContact C-N 3.29Å; E269-D271 PolarHBondContact O-N 3.47Å; E269-D271 VanDerWaalsContact O-N 3.17Å; E269-R274 IonicContact OE2-NH1 3.72Å; E269-H295 PolarHBondContact N-CE1 2.82Å; E269-H295 IonicContact OE2-CE1 3.62Å; E269-H295 PolarHBondContact OE2-CE1 3.37Å; E269-H295 IonicContact OE2-NE2 3.57Å; E269-H295 PolarHBondContact OE2-NE2 3Å; E269-H295 VanDerWaalsContact OE2-NE2 3.16Å; E269-L296 PolarHBondContact N-O 3.15Å; E269-K297 WeakPolarHBondContact CB-O 3.4Å; E269-K297 WeakPolarHBondContact CG-O 3.21Å
270F93Very high97Very high87 Ų8710.5 Ų10.538%0.3825%0.053SC..EExtended strand (participates in β ladder)trans-93.959-176.3-62.8-67.4000110.6F158 K297 G299 F300F158-F270 HydrophobicContact CE1-CD1 4.5Å; F158-F270 HydrophobicContact CZ-CB 3.78Å; F158-F270 HydrophobicContact CZ-CD1 4.02Å; F158-F270 HydrophobicContact CZ-CG 4.34Å; F270-K297 WeakPolarHBondContact CE2-O 2.97Å; F270-G299 WeakPolarHBondContact CB-O 3.28Å; F270-G299 PolarHBondContact N-O 2.88Å; F270-F300 HydrophobicContact CB-CB 4.05Å; F270-F300 VanDerWaalsContact O-CA 3.28Å; F270-F300 WeakPolarHBondContact O-CA 3.34Å
271D95.1Very high97Very high5 Ų510.1 Ų10.13%0.0275%0.052CC..  trans-149.4129.2-172.8-169.7-17.5000111.4Y138 S150 E269 L273 R274 H301Y138-D271 WeakPolarHBondContact CB-OD2 3.42Å; S150-D271 WeakPolarHBondContact CB-O 3.22Å; E269-D271 VanDerWaalsContact C-N 3.29Å; E269-D271 PolarHBondContact O-N 3.47Å; E269-D271 VanDerWaalsContact O-N 3.17Å; D271-L273 PolarHBondContact O-N 3.34Å; D271-L273 PolarHBondContact OD1-N 3.03Å; D271-R274 VanDerWaalsContact O-CB 3.24Å; D271-R274 WeakPolarHBondContact O-CB 3.06Å; D271-R274 PolarHBondContact O-N 2.99Å; D271-H301 HydrophobicContact CB-CB 4.34Å; D271-H301 IonicContact OD1-CE1 3.73Å; D271-H301 IonicContact OD1-CG 3.99Å; D271-H301 IonicContact OD1-ND1 3.94Å; D271-H301 PolarHBondContact OD1-ND1 3.35Å; D271-H301 IonicContact OD2-CE1 3.32Å; D271-H301 IonicContact OD2-CG 3.62Å; D271-H301 IonicContact OD2-ND1 2.78Å; D271-H301 PolarHBondContact OD2-ND1 2.81Å
272V94.7Very high96.9Very high1 Ų112.3 Ų12.31%0.0066%0.058CC..THydrogen-bonded Turntrans-60.9-28.5175.9-65.30000112.5S150 Y151 A154 V164 P166 I169 R274S150-V272 PolarHBondContact OG-O 3.45Å; Y151-V272 HydrophobicContact CD2-CB 3.84Å; Y151-V272 WeakPolarHBondContact CD2-O 3.49Å; Y151-V272 HydrophobicContact CE1-CB 4.38Å; Y151-V272 HydrophobicContact CE2-CB 3.8Å; Y151-V272 HydrophobicContact CE2-CG2 4.45Å; Y151-V272 WeakPolarHBondContact CE2-O 3.34Å; Y151-V272 HydrophobicContact CG-CB 4.24Å; A154-V272 HydrophobicContact CB-CG1 3.3Å; V164-V272 HydrophobicContact CG1-CG2 3.84Å; P166-V272 HydrophobicContact CG-CG1 4.1Å; I169-V272 HydrophobicContact CG1-CG2 3.88Å; V272-R274 VanDerWaalsContact C-N 3.26Å; V272-R274 PolarHBondContact O-N 3.36Å
273L96.9Very high96.8Very high0 Ų011.1 Ų11.10%05%0.049CC..THydrogen-bonded Turntrans-87.89.1-178.4-48-173.7000113Y138 F140 Y151 I169 D271 D275 E276 G277 H301Y138-L273 WeakPolarHBondContact O-CD1 3.36Å; F140-L273 HydrophobicContact CB-CD1 3.85Å; F140-L273 HydrophobicContact CD2-CD2 4.08Å; Y151-L273 HydrophobicContact CE2-CD2 4.5Å; I169-L273 HydrophobicContact CD1-CD1 4.4Å; I169-L273 HydrophobicContact CD1-CD2 4.02Å; I169-L273 HydrophobicContact CG1-CD2 4.27Å; D271-L273 PolarHBondContact O-N 3.34Å; D271-L273 PolarHBondContact OD1-N 3.03Å; L273-D275 PolarHBondContact O-N 2.85Å; L273-E276 HydrophobicContact CB-CG 4.15Å; L273-E276 WeakPolarHBondContact CD2-OE1 3.17Å; L273-E276 WeakPolarHBondContact O-CG 3.26Å; L273-G277 PolarHBondContact O-N 2.61Å; L273-H301 WeakPolarHBondContact CD1-CE1 3.32Å
274R96.1Very high96.8Very high2 Ų211 Ų111%0.0085%0.048CC..Hα-helixtrans-57.7-49.9-178.7-179-165.271.7-156.2-8.1112D153 F216 S268 E269 D271 V272 F278D153-R274 IonicContact OD2-CZ 3.36Å; D153-R274 IonicContact OD2-NH1 3.93Å; D153-R274 PolarHBondContact OD2-NH1 3.32Å; D153-R274 IonicContact OD2-NH2 2.71Å; D153-R274 PolarHBondContact OD2-NH2 3.47Å; F216-R274 HydrophobicContact CE2-CG 4.18Å; F216-R274 HydrophobicContact CZ-CG 4.35Å; F216-R274 PolarHBondContact O-NH2 3.49Å; S268-R274 WeakPolarHBondContact O-CB 3.43Å; S268-R274 WeakPolarHBondContact O-CG 3.44Å; E269-R274 IonicContact OE2-NH1 3.72Å; D271-R274 VanDerWaalsContact O-CB 3.24Å; D271-R274 WeakPolarHBondContact O-CB 3.06Å; D271-R274 PolarHBondContact O-N 2.99Å; V272-R274 VanDerWaalsContact C-N 3.26Å; V272-R274 PolarHBondContact O-N 3.36Å; R274-F278 PolarHBondContact O-N 2.85Å
275D96.3Very high96.8Very high0 Ų013.7 Ų13.70%06%0.06CC..Hα-helixtrans-71.9-38.3-169.3-66-19.4000111.9T148 P149 S150 L212 L273 F278 W279T148-D275 WeakPolarHBondContact CB-OD2 3.45Å; T148-D275 PolarHBondContact OG1-OD2 2.95Å; P149-D275 WeakPolarHBondContact CD-OD2 3.42Å; S150-D275 VanDerWaalsContact CB-OD2 3.28Å; S150-D275 WeakPolarHBondContact CB-OD2 3.41Å; S150-D275 PolarHBondContact N-OD2 3.48Å; S150-D275 WeakPolarHBondContact OG-CB 3.4Å; S150-D275 PolarHBondContact OG-OD2 2.87Å; L212-D275 HydrophobicContact CD1-CB 4.13Å; L212-D275 HydrophobicContact CD2-CB 3.78Å; L273-D275 PolarHBondContact O-N 2.85Å; D275-F278 WeakPolarHBondContact O-CB 3.4Å; D275-F278 PolarHBondContact O-N 3.03Å; D275-W279 HydrophobicContact CB-CH2 4.24Å; D275-W279 HydrophobicContact CB-CZ2 4.41Å; D275-W279 HydrophobicContact CB-CZ3 4.31Å; D275-W279 PolarHBondContact O-N 3Å
276E97.5Very high96.6Very high2 Ų219.3 Ų19.31%0.0099%0.086CC..Hα-helixtrans-69.9-36.3177.662.7-166.6100.600113L141 Q142 L252 L273 F278 W279 Y280L141-E276 WeakPolarHBondContact CA-OE2 3.48Å; L141-E276 HydrophobicContact CB-CB 4.3Å; L141-E276 HydrophobicContact CB-CG 4.36Å; L141-E276 WeakPolarHBondContact CD1-O 3.37Å; L141-E276 PolarHBondContact N-OE2 3.29Å; Q142-E276 HydrophobicContact CG-CB 3.9Å; Q142-E276 PolarHBondContact N-OE2 3.37Å; Q142-E276 VanDerWaalsContact N-OE2 3.07Å; L252-E276 HydrophobicContact CD1-CB 4.1Å; L273-E276 HydrophobicContact CB-CG 4.15Å; L273-E276 WeakPolarHBondContact CD2-OE1 3.17Å; L273-E276 WeakPolarHBondContact O-CG 3.26Å; E276-F278 VanDerWaalsContact C-N 3.27Å; E276-F278 PolarHBondContact O-N 3.39Å; E276-W279 HydrophobicContact CB-CE3 4.2Å; E276-W279 PolarHBondContact O-N 3.24Å; E276-Y280 WeakPolarHBondContact O-CB 3.41Å; E276-Y280 PolarHBondContact O-N 3.25Å
277G98.1Very high96.5Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-60.2-39.6170.200000112L273 A281L273-G277 PolarHBondContact O-N 2.61Å; G277-A281 PolarHBondContact O-N 3.21Å; G277-A281 VanDerWaalsContact O-N 3.12Å
278F97.4Very high96.5Very high3 Ų324.8 Ų24.81%0.01313%0.13CC..Hα-helixtrans-65.7-49.4174.1174.4-85.6000112.4R211 L212 P213 R274 D275 E276 Y280 A281 Y282 W293 F342R211-F278 VanDerWaalsContact O-CE1 3.26Å; R211-F278 WeakPolarHBondContact O-CE1 3.5Å; L212-F278 HydrophobicContact CD2-CD1 3.75Å; L212-F278 HydrophobicContact CD2-CE1 4.39Å; L212-F278 HydrophobicContact CD2-CG 4.35Å; P213-F278 VanDerWaalsContact CD-CZ 3.41Å; P213-F278 HydrophobicContact CG-CD2 3.93Å; P213-F278 HydrophobicContact CG-CE1 4.31Å; P213-F278 HydrophobicContact CG-CE2 3.31Å; P213-F278 HydrophobicContact CG-CZ 3.54Å; R274-F278 PolarHBondContact O-N 2.85Å; D275-F278 WeakPolarHBondContact O-CB 3.4Å; D275-F278 PolarHBondContact O-N 3.03Å; E276-F278 VanDerWaalsContact C-N 3.27Å; E276-F278 PolarHBondContact O-N 3.39Å; F278-Y280 VanDerWaalsContact C-N 3.25Å; F278-Y280 PolarHBondContact O-N 3.37Å; F278-A281 WeakPolarHBondContact O-CB 3.09Å; F278-A281 PolarHBondContact O-N 3.34Å; F278-A281 VanDerWaalsContact O-N 3.17Å; F278-Y282 PolarHBondContact O-N 2.91Å; F278-W293 HydrophobicContact CD2-CD2 4.31Å; F278-W293 HydrophobicContact CD2-CE3 4.18Å; F278-W293 AromaticContact CD2-CH2 3.57Å; F278-W293 HydrophobicContact CD2-CH2 3.57Å; F278-W293 AromaticContact CD2-CZ2 3.7Å; F278-W293 HydrophobicContact CD2-CZ2 3.7Å; F278-W293 AromaticContact CD2-CZ3 3.83Å; F278-W293 HydrophobicContact CD2-CZ3 3.83Å; F278-W293 HydrophobicContact CE2-CE3 4.33Å; F278-W293 AromaticContact CE2-CH2 3.95Å; F278-W293 HydrophobicContact CE2-CH2 3.95Å; F278-W293 AromaticContact CE2-CZ3 3.85Å; F278-W293 HydrophobicContact CE2-CZ3 3.85Å; F278-F342 HydrophobicContact CE2-CD1 4.17Å; F278-F342 AromaticContact CE2-CE1 3.41Å; F278-F342 HydrophobicContact CE2-CE1 3.41Å; F278-F342 VanDerWaalsContact CE2-CE1 3.41Å; F278-F342 HydrophobicContact CE2-CZ 4.26Å; F278-F342 HydrophobicContact CZ-CD1 4.38Å; F278-F342 AromaticContact CZ-CE1 3.3Å; F278-F342 HydrophobicContact CZ-CE1 3.3Å; F278-F342 AromaticContact CZ-CZ 3.68Å; F278-F342 HydrophobicContact CZ-CZ 3.68Å
279W97.7Very high96.7Very high1 Ų125.1 Ų25.10%0.00413%0.132CC..Hα-helixtrans-58.7-39.2179.9-72.5-40.6000111.9T148 I207 S208 H209 L212 L252 D275 E276 Y282 R283T148-W279 HydrophobicContact CG2-CH2 3.5Å; T148-W279 HydrophobicContact CG2-CZ3 3.78Å; I207-W279 HydrophobicContact CB-CD2 4.06Å; I207-W279 HydrophobicContact CB-CE3 3.68Å; I207-W279 HydrophobicContact CB-CH2 3.87Å; I207-W279 HydrophobicContact CB-CZ2 4.22Å; I207-W279 HydrophobicContact CB-CZ3 3.59Å; I207-W279 HydrophobicContact CG2-CD2 4.08Å; I207-W279 HydrophobicContact CG2-CE3 3.51Å; I207-W279 HydrophobicContact CG2-CZ3 3.79Å; I207-W279 VanDerWaalsContact O-CH2 3.23Å; I207-W279 WeakPolarHBondContact O-CH2 3.48Å; I207-W279 WeakPolarHBondContact O-CZ2 3.33Å; S208-W279 PolarHBondContact O-NE1 3.03Å; H209-W279 AromaticContact CD2-CZ2 3.99Å; L212-W279 HydrophobicContact CD1-CZ2 3.82Å; L212-W279 HydrophobicContact CD2-CD2 4.43Å; L212-W279 HydrophobicContact CD2-CZ2 4.06Å; L212-W279 HydrophobicContact CG-CZ2 3.92Å; L252-W279 HydrophobicContact CD1-CB 3.88Å; L252-W279 HydrophobicContact CD1-CE3 4.28Å; D275-W279 HydrophobicContact CB-CH2 4.24Å; D275-W279 HydrophobicContact CB-CZ2 4.41Å; D275-W279 HydrophobicContact CB-CZ3 4.31Å; D275-W279 PolarHBondContact O-N 3Å; E276-W279 HydrophobicContact CB-CE3 4.2Å; E276-W279 PolarHBondContact O-N 3.24Å; W279-Y282 PolarHBondContact O-N 2.81Å; W279-R283 WeakPolarHBondContact O-CG 3.31Å; W279-R283 PolarHBondContact O-N 3.15Å
280Y98.5Very high96.8Very high0 Ų023.5 Ų23.50%013%0.128CC..Hα-helixtrans-67.4-42.3176.4-171.7-114.8000112.7A116 Q120 L136 L141 L257 I265 E276 F278 Y282 R283 L284A116-Y280 HydrophobicContact CB-CE1 4.17Å; Q120-Y280 PolarHBondContact NE2-OH 3.38Å; L136-Y280 HydrophobicContact CD2-CD1 4.09Å; L136-Y280 HydrophobicContact CD2-CE1 3.68Å; L141-Y280 VanDerWaalsContact CD1-CB 3.47Å; L141-Y280 HydrophobicContact CD1-CD1 4.21Å; L141-Y280 HydrophobicContact CD1-CG 3.9Å; L141-Y280 HydrophobicContact CD2-CD1 4.49Å; L141-Y280 HydrophobicContact CD2-CG 4.47Å; L257-Y280 HydrophobicContact CD1-CE2 4.47Å; L257-Y280 HydrophobicContact CD2-CE2 3.92Å; I265-Y280 HydrophobicContact CD1-CD1 3.76Å; I265-Y280 HydrophobicContact CD1-CE1 4.41Å; E276-Y280 WeakPolarHBondContact O-CB 3.41Å; E276-Y280 PolarHBondContact O-N 3.25Å; F278-Y280 VanDerWaalsContact C-N 3.25Å; F278-Y280 PolarHBondContact O-N 3.37Å; Y280-Y282 VanDerWaalsContact C-N 3.27Å; Y280-Y282 PolarHBondContact O-N 3.42Å; Y280-R283 PolarHBondContact O-N 3.02Å; Y280-L284 HydrophobicContact CD1-CD1 3.85Å; Y280-L284 HydrophobicContact CD1-CG 4.39Å; Y280-L284 HydrophobicContact CE1-CD1 3.53Å; Y280-L284 HydrophobicContact CE1-CG 4.1Å; Y280-L284 HydrophobicContact CE2-CG 4.38Å; Y280-L284 WeakPolarHBondContact O-CB 3.44Å; Y280-L284 WeakPolarHBondContact O-CG 3.03Å; Y280-L284 PolarHBondContact O-N 3.31Å
281A98.1Very high97.1Very high2 Ų219.6 Ų19.62%0.01711%0.111CC..Hα-helixtrans-56.7-43.2171.800000111.8I265 G277 F278 H285 V291 W293I265-A281 HydrophobicContact CB-CB 4.42Å; I265-A281 VanDerWaalsContact CD1-CA 3.46Å; I265-A281 HydrophobicContact CD1-CB 3.58Å; G277-A281 PolarHBondContact O-N 3.21Å; G277-A281 VanDerWaalsContact O-N 3.12Å; F278-A281 WeakPolarHBondContact O-CB 3.09Å; F278-A281 PolarHBondContact O-N 3.34Å; F278-A281 VanDerWaalsContact O-N 3.17Å; A281-H285 WeakPolarHBondContact O-CB 3.39Å; A281-H285 PolarHBondContact O-N 3.41Å; A281-H285 VanDerWaalsContact O-N 3.07Å; A281-V291 HydrophobicContact CB-CG1 3.95Å; A281-W293 HydrophobicContact CB-CB 4.3Å; A281-W293 HydrophobicContact CB-CG 4.39Å
282Y96.6Very high97.2Very high65 Ų6521 Ų2126%0.25512%0.121SC..Hα-helixtrans-64.6-47.5176.8-174.6-106.8000112.1F278 W279 Y280 L284 H285 Q286 F342F278-Y282 PolarHBondContact O-N 2.91Å; W279-Y282 PolarHBondContact O-N 2.81Å; Y280-Y282 VanDerWaalsContact C-N 3.27Å; Y280-Y282 PolarHBondContact O-N 3.42Å; Y282-L284 PolarHBondContact O-N 3.02Å; Y282-H285 PolarHBondContact O-N 3.42Å; Y282-Q286 HydrophobicContact CD1-CG 4.19Å; Y282-Q286 HydrophobicContact CE1-CG 3.85Å; Y282-Q286 HydrophobicContact CE2-CG 4.3Å; Y282-Q286 VanDerWaalsContact O-CG 3.32Å; Y282-Q286 WeakPolarHBondContact O-CG 3.17Å; Y282-Q286 PolarHBondContact O-N 3.47Å; Y282-Q286 PolarHBondContact OH-NE2 2.97Å; Y282-F342 HydrophobicContact CD2-CZ 4.35Å; Y282-F342 HydrophobicContact CE2-CZ 4.47Å
283R97Very high97.4Very high12 Ų1222.8 Ų22.85%0.04513%0.128CC..Hα-helixtrans-62-44.1178-71.4-171.184.9-125.7-2112.2H206 L252 F254 L257 W279 Y280 H285 Q286 N287H206-R283 PolarHBondContact ND1-NE 2.98Å; H206-R283 PolarHBondContact NE2-NH2 3.43Å; L252-R283 WeakPolarHBondContact O-CD 3.36Å; L252-R283 VanDerWaalsContact O-CZ 3.26Å; L252-R283 PolarHBondContact O-NH1 3.3Å; F254-R283 PolarHBondContact O-NH1 3.16Å; F254-R283 PolarHBondContact O-NH2 2.72Å; L257-R283 HydrophobicContact CD1-CB 3.53Å; L257-R283 VanDerWaalsContact CD1-NH1 3.3Å; W279-R283 WeakPolarHBondContact O-CG 3.31Å; W279-R283 PolarHBondContact O-N 3.15Å; Y280-R283 PolarHBondContact O-N 3.02Å; R283-H285 VanDerWaalsContact C-N 3.32Å; R283-H285 PolarHBondContact O-N 3.01Å; R283-Q286 PolarHBondContact O-N 2.78Å; R283-N287 PolarHBondContact O-N 2.98Å; R283-N287 PolarHBondContact O-ND2 3.41Å
284L98.3Very high97.4Very high0 Ų024.6 Ų24.60%014%0.135CC..Hα-helixtrans-57.4-47.2175.4-77.3174.6000110.9L257 L260 A263 I265 Y280 Y282 Q286 N287 G288 V289 V291L257-L284 HydrophobicContact CB-CD2 4.26Å; L257-L284 HydrophobicContact CD1-CD2 4.36Å; L257-L284 HydrophobicContact CD2-CD2 4.2Å; L260-L284 HydrophobicContact CB-CD2 4.42Å; L260-L284 HydrophobicContact CD1-CD2 3.73Å; A263-L284 HydrophobicContact CB-CD1 3.73Å; I265-L284 HydrophobicContact CD1-CD1 3.81Å; Y280-L284 HydrophobicContact CD1-CD1 3.85Å; Y280-L284 HydrophobicContact CD1-CG 4.39Å; Y280-L284 HydrophobicContact CE1-CD1 3.53Å; Y280-L284 HydrophobicContact CE1-CG 4.1Å; Y280-L284 HydrophobicContact CE2-CG 4.38Å; Y280-L284 WeakPolarHBondContact O-CB 3.44Å; Y280-L284 WeakPolarHBondContact O-CG 3.03Å; Y280-L284 PolarHBondContact O-N 3.31Å; Y282-L284 PolarHBondContact O-N 3.02Å; L284-Q286 PolarHBondContact O-N 3.28Å; L284-N287 CarbonylContact O-C 3.47Å; L284-N287 PolarHBondContact O-N 3.39Å; L284-N287 VanDerWaalsContact O-N 3.13Å; L284-G288 PolarHBondContact O-N 3.35Å; L284-V289 HydrophobicContact CB-CB 4.06Å; L284-V289 HydrophobicContact CB-CG1 4.44Å; L284-V289 HydrophobicContact CD2-CB 4.24Å; L284-V289 HydrophobicContact CD2-CG1 4.27Å; L284-V289 HydrophobicContact CD2-CG2 3.98Å; L284-V289 WeakPolarHBondContact O-CB 3.36Å; L284-V289 PolarHBondContact O-N 3.07Å; L284-V291 HydrophobicContact CB-CG2 3.5Å; L284-V291 HydrophobicContact CD1-CG2 4.21Å
285H96.9Very high97.4Very high56 Ų5624.7 Ų24.726%0.25914%0.135SC..Hα-helixtrans-60.4-46.2177.6176.854.2000112.5A281 Y282 R283 N287 G288 V291 F340A281-H285 WeakPolarHBondContact O-CB 3.39Å; A281-H285 PolarHBondContact O-N 3.41Å; A281-H285 VanDerWaalsContact O-N 3.07Å; Y282-H285 PolarHBondContact O-N 3.42Å; R283-H285 VanDerWaalsContact C-N 3.32Å; R283-H285 PolarHBondContact O-N 3.01Å; H285-N287 PolarHBondContact O-N 3.43Å; H285-G288 PolarHBondContact O-N 2.67Å; H285-V291 HydrophobicContact CB-CG2 4.45Å; H285-F340 HydrophobicContact CB-CD1 4.33Å; H285-F340 HydrophobicContact CB-CD2 4.18Å; H285-F340 HydrophobicContact CB-CE1 4.01Å; H285-F340 HydrophobicContact CB-CE2 3.86Å; H285-F340 HydrophobicContact CB-CG 4.4Å; H285-F340 HydrophobicContact CB-CZ 3.76Å; H285-F340 AromaticContact CD2-CD1 3.65Å; H285-F340 AromaticContact CD2-CD2 3.92Å; H285-F340 AromaticContact CD2-CG 3.49Å; H285-F340 VanDerWaalsContact CD2-CG 3.49Å; H285-F340 WeakPolarHBondContact CD2-CG 3.34Å; H285-F340 VanDerWaalsContact CE1-CB 3.4Å; H285-F340 WeakPolarHBondContact CE1-CB 3.43Å; H285-F340 AromaticContact CE1-CD2 3.58Å; H285-F340 AromaticContact CE1-CG 3.62Å; H285-F340 AromaticContact CG-CD1 3.79Å; H285-F340 AromaticContact CG-CD2 3.47Å; H285-F340 VanDerWaalsContact CG-CD2 3.47Å; H285-F340 AromaticContact CG-CE1 3.98Å; H285-F340 AromaticContact CG-CE2 3.67Å; H285-F340 AromaticContact CG-CG 3.53Å; H285-F340 AromaticContact CG-CZ 3.92Å; H285-F340 AromaticContact ND1-CD2 3.22Å; H285-F340 WeakPolarHBondContact ND1-CD2 3.38Å; H285-F340 AromaticContact ND1-CE2 3.67Å; H285-F340 AromaticContact ND1-CG 3.6Å; H285-F340 WeakPolarHBondContact NE2-CB 3.27Å; H285-F340 AromaticContact NE2-CD2 3.99Å; H285-F340 AromaticContact NE2-CG 3.55Å
286Q95.8Very high97.4Very high117 Ų11724.7 Ų24.755%0.54714%0.135SC..Hα-helixtrans-60.8-27.1176.7-69-62.6-47.400112.7Y282 R283 L284 G288Y282-Q286 HydrophobicContact CD1-CG 4.19Å; Y282-Q286 HydrophobicContact CE1-CG 3.85Å; Y282-Q286 HydrophobicContact CE2-CG 4.3Å; Y282-Q286 VanDerWaalsContact O-CG 3.32Å; Y282-Q286 WeakPolarHBondContact O-CG 3.17Å; Y282-Q286 PolarHBondContact O-N 3.47Å; Y282-Q286 PolarHBondContact OH-NE2 2.97Å; R283-Q286 PolarHBondContact O-N 2.78Å; L284-Q286 PolarHBondContact O-N 3.28Å; Q286-G288 VanDerWaalsContact C-N 3.31Å
287N97.1Very high97.2Very high56 Ų5628.7 Ų28.730%0.29915%0.153SC..THydrogen-bonded Turntrans-91.615.3176.2-75.3-90.3000113.4L257 R283 L284 H285 V289L257-N287 HydrophobicContact CB-CB 3.81Å; R283-N287 PolarHBondContact O-N 2.98Å; R283-N287 PolarHBondContact O-ND2 3.41Å; L284-N287 CarbonylContact O-C 3.47Å; L284-N287 PolarHBondContact O-N 3.39Å; L284-N287 VanDerWaalsContact O-N 3.13Å; H285-N287 PolarHBondContact O-N 3.43Å; N287-V289 VanDerWaalsContact C-N 3.32Å; N287-V289 PolarHBondContact O-N 2.98Å
288G97.2Very high97Very high60 Ų6031.6 Ų31.662%0.61917%0.173SC*.THydrogen-bonded Turntrans79.57.4173.900000115.2L284 H285 Q286L284-G288 PolarHBondContact O-N 3.35Å; H285-G288 PolarHBondContact O-N 2.67Å; Q286-G288 VanDerWaalsContact C-N 3.31Å
289V98.1Very high96.9Very high6 Ų631.4 Ų31.44%0.03617%0.172CC..  trans-75.2138.1175.6-177.80000109.5L257 L260 P261 L284 N287 V291L257-V289 WeakPolarHBondContact O-CG2 3.42Å; L260-V289 HydrophobicContact CB-CG2 4.03Å; P261-V289 WeakPolarHBondContact O-CG1 3.24Å; L284-V289 HydrophobicContact CB-CB 4.06Å; L284-V289 HydrophobicContact CB-CG1 4.44Å; L284-V289 HydrophobicContact CD2-CB 4.24Å; L284-V289 HydrophobicContact CD2-CG1 4.27Å; L284-V289 HydrophobicContact CD2-CG2 3.98Å; L284-V289 WeakPolarHBondContact O-CB 3.36Å; L284-V289 PolarHBondContact O-N 3.07Å; N287-V289 VanDerWaalsContact C-N 3.32Å; N287-V289 PolarHBondContact O-N 2.98Å; V289-V291 HydrophobicContact CB-CG2 4.47Å; V289-V291 HydrophobicContact CG1-CG2 4.36Å; V289-V291 PolarHBondContact O-N 2.77Å
290A97.4Very high96.7Very high19 Ų1934.6 Ų34.616%0.15719%0.186CC..  trans-71.1118.3172.300000109.6P262 A263P262-A290 CarbonylContact C-O 3.3Å; P262-A290 VanDerWaalsContact CA-O 3.27Å; P262-A290 WeakPolarHBondContact CA-O 3.45Å; P262-A290 HydrophobicContact CB-CB 4.14Å; P262-A290 HydrophobicContact CG-CB 4.41Å; A263-A290 PolarHBondContact N-O 3.3Å
291V98.2Very high96.6Very high4 Ų435.4 Ų35.42%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-122.7132.9-176.3179.10000110.3A263 I265 A281 L284 H285 V289 F340A263-V291 HydrophobicContact CB-CG2 4.36Å; A263-V291 CarbonylContact O-C 3.33Å; A263-V291 WeakPolarHBondContact O-CA 3.01Å; I265-V291 HydrophobicContact CD1-CG1 4.4Å; A281-V291 HydrophobicContact CB-CG1 3.95Å; L284-V291 HydrophobicContact CB-CG2 3.5Å; L284-V291 HydrophobicContact CD1-CG2 4.21Å; H285-V291 HydrophobicContact CB-CG2 4.45Å; V289-V291 HydrophobicContact CB-CG2 4.47Å; V289-V291 HydrophobicContact CG1-CG2 4.36Å; V289-V291 PolarHBondContact O-N 2.77Å; V291-F340 HydrophobicContact CB-CE2 3.73Å; V291-F340 HydrophobicContact CB-CZ 3.81Å; V291-F340 HydrophobicContact CG1-CE2 4.29Å; V291-F340 HydrophobicContact CG1-CZ 3.92Å; V291-F340 WeakPolarHBondContact O-CE2 3.02Å
292S98.1Very high96.5Very high35 Ų3535.6 Ų35.625%0.24519%0.192CC..EExtended strand (participates in β ladder)trans-109120.8161.8-65.10000107.7A263 L264 I265 F323A263-S292 PolarHBondContact O-N 3.14Å; L264-S292 CarbonylContact C-O 3.59Å; L264-S292 WeakPolarHBondContact CA-O 3.17Å; L264-S292 WeakPolarHBondContact CD1-O 3.46Å; I265-S292 PolarHBondContact N-O 3.26Å; S292-F323 WeakPolarHBondContact OG-CZ 3.25Å
293W97.4Very high96.4Very high38 Ų3832.6 Ų32.614%0.14418%0.18CC..EExtended strand (participates in β ladder)trans-113.5121.2177.2172.953.3000110.1F216 I265 T267 F278 A281 H295F216-W293 AromaticContact CE2-CH2 3.89Å; F216-W293 HydrophobicContact CE2-CH2 3.89Å; F216-W293 AromaticContact CE2-CZ2 3.89Å; F216-W293 HydrophobicContact CE2-CZ2 3.89Å; F216-W293 AromaticContact CZ-CH2 3.98Å; F216-W293 HydrophobicContact CZ-CH2 3.98Å; F216-W293 HydrophobicContact CZ-CZ2 4.04Å; I265-W293 CarbonylContact O-C 3.43Å; I265-W293 WeakPolarHBondContact O-CA 3.34Å; T267-W293 PolarHBondContact OG1-NE1 3.49Å; F278-W293 HydrophobicContact CD2-CD2 4.31Å; F278-W293 HydrophobicContact CD2-CE3 4.18Å; F278-W293 AromaticContact CD2-CH2 3.57Å; F278-W293 HydrophobicContact CD2-CH2 3.57Å; F278-W293 AromaticContact CD2-CZ2 3.7Å; F278-W293 HydrophobicContact CD2-CZ2 3.7Å; F278-W293 AromaticContact CD2-CZ3 3.83Å; F278-W293 HydrophobicContact CD2-CZ3 3.83Å; F278-W293 HydrophobicContact CE2-CE3 4.33Å; F278-W293 AromaticContact CE2-CH2 3.95Å; F278-W293 HydrophobicContact CE2-CH2 3.95Å; F278-W293 AromaticContact CE2-CZ3 3.85Å; F278-W293 HydrophobicContact CE2-CZ3 3.85Å; A281-W293 HydrophobicContact CB-CB 4.3Å; A281-W293 HydrophobicContact CB-CG 4.39Å; W293-H295 HydrophobicContact CH2-CB 4.26Å; W293-H295 HydrophobicContact CZ2-CB 3.77Å
294W97.8Very high96.4Very high39 Ų3932.1 Ų32.115%0.14818%0.178CC..EExtended strand (participates in β ladder)trans-113.1130178.6-61.9-4000109.4L264 I265 V266 T267 T316 Q319 I320 F323 M348L264-W294 HydrophobicContact CD1-CD2 3.61Å; L264-W294 HydrophobicContact CD1-CE3 4.14Å; L264-W294 HydrophobicContact CD1-CG 3.85Å; L264-W294 HydrophobicContact CD1-CZ2 4.03Å; L264-W294 HydrophobicContact CD2-CE3 4.4Å; L264-W294 HydrophobicContact CD2-CH2 4.1Å; L264-W294 HydrophobicContact CD2-CZ2 4.29Å; L264-W294 HydrophobicContact CD2-CZ3 4.17Å; I265-W294 PolarHBondContact O-N 2.89Å; V266-W294 CarbonylContact C-O 3.58Å; V266-W294 VanDerWaalsContact CA-O 3.27Å; V266-W294 WeakPolarHBondContact CA-O 3.5Å; V266-W294 HydrophobicContact CG2-CB 4.38Å; V266-W294 HydrophobicContact CG2-CE3 4.38Å; T267-W294 PolarHBondContact N-O 3.09Å; W294-T316 HydrophobicContact CE3-CG2 4.48Å; W294-Q319 HydrophobicContact CH2-CB 4.13Å; W294-Q319 HydrophobicContact CZ3-CB 3.92Å; W294-I320 HydrophobicContact CE3-CG1 4.31Å; W294-I320 HydrophobicContact CZ3-CG1 3.72Å; W294-F323 HydrophobicContact CH2-CB 3.84Å; W294-F323 HydrophobicContact CH2-CD2 4.36Å; W294-F323 HydrophobicContact CH2-CG 4.21Å; W294-F323 HydrophobicContact CZ2-CB 4.13Å; W294-F323 AromaticContact CZ2-CD2 3.77Å; W294-F323 HydrophobicContact CZ2-CD2 3.77Å; W294-F323 HydrophobicContact CZ2-CE2 4.43Å; W294-F323 HydrophobicContact CZ2-CG 4.04Å; W294-M348 HydrophobicContact CD2-CE 4.39Å; W294-M348 HydrophobicContact CE3-CE 4.26Å
295H96.7Very high96.3Very high3 Ų334.8 Ų34.81%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-117.8116.8-179.5-17865.3000110.7F216 T267 E269 W293 K297 V345F216-H295 AromaticContact CE1-CE1 3.97Å; F216-H295 AromaticContact CE1-NE2 3.77Å; F216-H295 AromaticContact CZ-CE1 3.61Å; F216-H295 AromaticContact CZ-ND1 3.86Å; F216-H295 AromaticContact CZ-NE2 3.73Å; T267-H295 CarbonylContact O-C 3.49Å; T267-H295 WeakPolarHBondContact O-CA 3.48Å; T267-H295 PolarHBondContact OG1-ND1 3.39Å; E269-H295 PolarHBondContact N-CE1 2.82Å; E269-H295 IonicContact OE2-CE1 3.62Å; E269-H295 PolarHBondContact OE2-CE1 3.37Å; E269-H295 IonicContact OE2-NE2 3.57Å; E269-H295 PolarHBondContact OE2-NE2 3Å; E269-H295 VanDerWaalsContact OE2-NE2 3.16Å; W293-H295 HydrophobicContact CH2-CB 4.26Å; W293-H295 HydrophobicContact CZ2-CB 3.77Å; H295-K297 PolarHBondContact O-N 3.15Å; H295-V345 HydrophobicContact CB-CG1 4.11Å
296L96.4Very high96.2Very high0 Ų034.6 Ų34.60%020%0.195CC..EExtended strand (participates in β ladder)trans-86.697.4-178.4-54.1-175.8000109.8V266 T267 E269 S298 G299 F304 L312 T316V266-L296 HydrophobicContact CG1-CD1 3.86Å; V266-L296 HydrophobicContact CG1-CD2 4.33Å; V266-L296 HydrophobicContact CG1-CG 3.85Å; T267-L296 PolarHBondContact O-N 3.23Å; E269-L296 PolarHBondContact N-O 3.15Å; L296-S298 PolarHBondContact O-N 3.47Å; L296-S298 VanDerWaalsContact O-N 3.16Å; L296-G299 PolarHBondContact O-N 3.18Å; L296-F304 HydrophobicContact CD1-CE2 4Å; L296-L312 HydrophobicContact CB-CD2 4.36Å; L296-L312 HydrophobicContact CD2-CD1 4.48Å; L296-T316 HydrophobicContact CD1-CG2 4.34Å; L296-T316 HydrophobicContact CD2-CG2 4.03Å
297K92.9Very high96.2Very high87 Ų8729.3 Ų29.338%0.37817%0.17SC..EExtended strand (participates in β ladder)trans-57.2-31.5-175.5-70.4-158.8-118-159.80116.2E269 F270 H295 L347E269-K297 WeakPolarHBondContact CB-O 3.4Å; E269-K297 WeakPolarHBondContact CG-O 3.21Å; F270-K297 WeakPolarHBondContact CE2-O 2.97Å; H295-K297 PolarHBondContact O-N 3.15Å; K297-L347 HydrophobicContact CD-CB 4.41Å; K297-L347 HydrophobicContact CD-CD2 3.23Å; K297-L347 HydrophobicContact CD-CG 4.2Å; K297-L347 HydrophobicContact CG-CD2 3.5Å; K297-L347 VanDerWaalsContact CG-CD2 3.5Å; K297-L347 VanDerWaalsContact NZ-CB 3.32Å; K297-L347 VanDerWaalsContact NZ-CG 3.29Å
298S92.9Very high96.2Very high60 Ų6033 Ų3342%0.4218%0.18SC..EExtended strand (participates in β ladder)trans-11310.7178.7520000111.3L296 L312L296-S298 PolarHBondContact O-N 3.47Å; L296-S298 VanDerWaalsContact O-N 3.16Å; S298-L312 WeakPolarHBondContact OG-CD2 3.49Å
299G95Very high96.2Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-75.7153.1174.300000111.1F270 L296F270-G299 WeakPolarHBondContact CB-O 3.28Å; F270-G299 PolarHBondContact N-O 2.88Å; L296-G299 PolarHBondContact O-N 3.18Å
300F95Very high96Very high68 Ų6840.6 Ų40.630%0.29820%0.202SC..EExtended strand (participates in β ladder)trans-134.9164.6173.459-90000109.6F270 G302 I303 V306 F310F270-F300 HydrophobicContact CB-CB 4.05Å; F270-F300 VanDerWaalsContact O-CA 3.28Å; F270-F300 WeakPolarHBondContact O-CA 3.34Å; F300-G302 PolarHBondContact O-N 3.24Å; F300-I303 HydrophobicContact CD1-CB 4.29Å; F300-I303 HydrophobicContact CD1-CD1 4.08Å; F300-I303 HydrophobicContact CD1-CG1 4.19Å; F300-I303 HydrophobicContact CD2-CB 4.29Å; F300-I303 HydrophobicContact CE1-CB 4.07Å; F300-I303 HydrophobicContact CE1-CD1 3.76Å; F300-I303 HydrophobicContact CE1-CG1 3.62Å; F300-I303 HydrophobicContact CE2-CB 4.06Å; F300-I303 HydrophobicContact CE2-CG1 4.33Å; F300-I303 HydrophobicContact CG-CB 4.39Å; F300-I303 HydrophobicContact CZ-CB 3.95Å; F300-I303 HydrophobicContact CZ-CD1 4.36Å; F300-I303 HydrophobicContact CZ-CG1 3.7Å; F300-I303 WeakPolarHBondContact O-CB 3.33Å; F300-I303 WeakPolarHBondContact O-CG2 2.98Å; F300-I303 PolarHBondContact O-N 3.47Å; F300-V306 HydrophobicContact CZ-CG2 4.41Å; F300-F310 HydrophobicContact CE1-CD1 4.19Å; F300-F310 AromaticContact CE1-CE1 3.89Å; F300-F310 HydrophobicContact CE1-CE1 3.89Å; F300-F310 HydrophobicContact CE1-CE2 4.37Å; F300-F310 AromaticContact CE1-CZ 3.98Å; F300-F310 HydrophobicContact CE1-CZ 3.98Å; F300-F310 HydrophobicContact CZ-CD2 4.22Å; F300-F310 HydrophobicContact CZ-CE1 4.1Å; F300-F310 AromaticContact CZ-CE2 3.79Å; F300-F310 HydrophobicContact CZ-CE2 3.79Å; F300-F310 AromaticContact CZ-CZ 3.71Å; F300-F310 HydrophobicContact CZ-CZ 3.71Å
301H95.7Very high96Very high16 Ų1647.1 Ų47.17%0.07423%0.227CC..THydrogen-bonded Turntrans-60.8133-179.5-158.287.8000111.7S109 Y138 V164 D271 L273 I303S109-H301 VanDerWaalsContact CB-NE2 3.31Å; S109-H301 WeakPolarHBondContact CB-NE2 3.47Å; S109-H301 PolarHBondContact OG-CE1 2.77Å; S109-H301 PolarHBondContact OG-NE2 2.72Å; Y138-H301 AromaticContact CD2-CE1 3.49Å; Y138-H301 VanDerWaalsContact CD2-CE1 3.49Å; Y138-H301 WeakPolarHBondContact CD2-CE1 3.36Å; Y138-H301 AromaticContact CD2-ND1 3.95Å; Y138-H301 AromaticContact CD2-NE2 3.95Å; V164-H301 HydrophobicContact CB-CB 3.95Å; V164-H301 HydrophobicContact CG2-CB 4.28Å; V164-H301 WeakPolarHBondContact CG2-CD2 3.47Å; D271-H301 HydrophobicContact CB-CB 4.34Å; D271-H301 IonicContact OD1-CE1 3.73Å; D271-H301 IonicContact OD1-CG 3.99Å; D271-H301 IonicContact OD1-ND1 3.94Å; D271-H301 PolarHBondContact OD1-ND1 3.35Å; D271-H301 IonicContact OD2-CE1 3.32Å; D271-H301 IonicContact OD2-CG 3.62Å; D271-H301 IonicContact OD2-ND1 2.78Å; D271-H301 PolarHBondContact OD2-ND1 2.81Å; L273-H301 WeakPolarHBondContact CD1-CE1 3.32Å; H301-I303 VanDerWaalsContact C-N 3.32Å; H301-I303 PolarHBondContact O-N 3.37Å
302G95.3Very high95.9Very high6 Ų648.2 Ų48.26%0.06223%0.232CC..THydrogen-bonded Turntrans79.37.918000000115.1F300 F304 N305F300-G302 PolarHBondContact O-N 3.24Å; G302-F304 PolarHBondContact O-N 3.06Å; G302-N305 WeakPolarHBondContact CA-OD1 3.49Å; G302-N305 WeakPolarHBondContact O-CB 3.26Å; G302-N305 PolarHBondContact O-N 2.85Å; G302-N305 PolarHBondContact O-OD1 2.93Å
303I96.1Very high95.9Very high2 Ų246.6 Ų46.61%0.0122%0.221CC..THydrogen-bonded Turntrans-57.9-23.9177.4-161.8-179.1000112.9Y138 F300 H301 V306 H307 F310 L312 A313Y138-I303 HydrophobicContact CE1-CG2 4.28Å; F300-I303 HydrophobicContact CD1-CB 4.29Å; F300-I303 HydrophobicContact CD1-CD1 4.08Å; F300-I303 HydrophobicContact CD1-CG1 4.19Å; F300-I303 HydrophobicContact CD2-CB 4.29Å; F300-I303 HydrophobicContact CE1-CB 4.07Å; F300-I303 HydrophobicContact CE1-CD1 3.76Å; F300-I303 HydrophobicContact CE1-CG1 3.62Å; F300-I303 HydrophobicContact CE2-CB 4.06Å; F300-I303 HydrophobicContact CE2-CG1 4.33Å; F300-I303 HydrophobicContact CG-CB 4.39Å; F300-I303 HydrophobicContact CZ-CB 3.95Å; F300-I303 HydrophobicContact CZ-CD1 4.36Å; F300-I303 HydrophobicContact CZ-CG1 3.7Å; F300-I303 WeakPolarHBondContact O-CB 3.33Å; F300-I303 WeakPolarHBondContact O-CG2 2.98Å; F300-I303 PolarHBondContact O-N 3.47Å; H301-I303 VanDerWaalsContact C-N 3.32Å; H301-I303 PolarHBondContact O-N 3.37Å; I303-V306 CarbonylContact O-C 3.57Å; I303-V306 PolarHBondContact O-N 2.96Å; I303-H307 PolarHBondContact O-N 3.25Å; I303-F310 HydrophobicContact CD1-CB 4.13Å; I303-F310 HydrophobicContact CD1-CG 4.35Å; I303-F310 HydrophobicContact CG1-CB 4.07Å; I303-F310 HydrophobicContact CG1-CD2 4.28Å; I303-F310 HydrophobicContact CG1-CG 4.11Å; I303-L312 HydrophobicContact CD1-CB 4.37Å; I303-L312 HydrophobicContact CD1-CD2 4.01Å; I303-L312 HydrophobicContact CD1-CG 4.44Å; I303-A313 HydrophobicContact CB-CB 4.49Å; I303-A313 HydrophobicContact CD1-CB 4.14Å; I303-A313 HydrophobicContact CG1-CB 3.81Å; I303-A313 HydrophobicContact CG2-CB 4.31Å; I303-A313 WeakPolarHBondContact O-CB 3.46Å
304F97Very high95.8Very high2 Ų250.1 Ų50.11%0.00924%0.239CC..THydrogen-bonded Turntrans-77.2-26.9176.7-75.1-118.2000113.2L49 I137 Y138 L296 G302 V306 H307 T316 V317 I320L49-F304 HydrophobicContact CD1-CD1 4.4Å; L49-F304 HydrophobicContact CD2-CB 4.11Å; I137-F304 HydrophobicContact CD1-CD1 3.9Å; I137-F304 HydrophobicContact CD1-CE1 3.74Å; I137-F304 HydrophobicContact CD1-CZ 4.29Å; I137-F304 HydrophobicContact CG2-CD1 4.42Å; I137-F304 HydrophobicContact CG2-CD2 3.8Å; I137-F304 HydrophobicContact CG2-CE1 4.31Å; I137-F304 HydrophobicContact CG2-CE2 3.68Å; I137-F304 HydrophobicContact CG2-CG 4.17Å; I137-F304 HydrophobicContact CG2-CZ 3.94Å; Y138-F304 AromaticContact CE1-CD2 3.74Å; Y138-F304 HydrophobicContact CE1-CD2 3.74Å; Y138-F304 HydrophobicContact CE1-CE2 4.31Å; Y138-F304 WeakPolarHBondContact OH-CB 3.39Å; L296-F304 HydrophobicContact CD1-CE2 4Å; G302-F304 PolarHBondContact O-N 3.06Å; F304-V306 PolarHBondContact O-N 3.23Å; F304-H307 WeakPolarHBondContact O-CB 3.19Å; F304-H307 PolarHBondContact O-N 3.02Å; F304-H307 PolarHBondContact O-ND1 3.28Å; F304-T316 HydrophobicContact CE1-CG2 4.43Å; F304-T316 HydrophobicContact CE2-CG2 4.46Å; F304-T316 HydrophobicContact CZ-CG2 3.63Å; F304-V317 HydrophobicContact CD1-CG2 3.66Å; F304-V317 HydrophobicContact CE1-CG2 3.73Å; F304-I320 HydrophobicContact CE1-CD1 3.58Å; F304-I320 HydrophobicContact CZ-CD1 3.78Å
305N94.9Very high95.8Very high57 Ų5755.8 Ų55.831%0.30526%0.26SS..THydrogen-bonded Turntrans-60.9-29.7172.5-58.993000111.4Y46 G302Y46-N305 PolarHBondContact OH-ND2 2.79Å; G302-N305 WeakPolarHBondContact CA-OD1 3.49Å; G302-N305 WeakPolarHBondContact O-CB 3.26Å; G302-N305 PolarHBondContact O-N 2.85Å; G302-N305 PolarHBondContact O-OD1 2.93Å
306V94.8Very high95.8Very high52 Ų5255.7 Ų55.732%0.31526%0.26SS..THydrogen-bonded Turntrans-113.828.7179.3-69.80000111.9F300 I303 F304 R308 L309 F310F300-V306 HydrophobicContact CZ-CG2 4.41Å; I303-V306 CarbonylContact O-C 3.57Å; I303-V306 PolarHBondContact O-N 2.96Å; F304-V306 PolarHBondContact O-N 3.23Å; V306-R308 PolarHBondContact O-N 3.24Å; V306-L309 HydrophobicContact CB-CB 4.49Å; V306-L309 HydrophobicContact CB-CD1 4.15Å; V306-L309 HydrophobicContact CB-CG 4.44Å; V306-L309 HydrophobicContact CG1-CD1 4.22Å; V306-L309 WeakPolarHBondContact O-CB 3.5Å; V306-L309 PolarHBondContact O-N 3.35Å; V306-F310 HydrophobicContact CB-CD2 4.17Å; V306-F310 HydrophobicContact CB-CE2 4.18Å; V306-F310 HydrophobicContact CG2-CD2 3.62Å; V306-F310 HydrophobicContact CG2-CE2 3.58Å; V306-F310 PolarHBondContact O-N 3.47Å
307H96.8Very high95.9Very high5 Ų556 Ų562%0.02326%0.261CS..THydrogen-bonded Turntrans-55.8-29-173.764.5-75.7000114.3L49 D52 I303 F304 L309 F310 A313 Q314 V317L49-H307 WeakPolarHBondContact CA-CE1 3.26Å; L49-H307 PolarHBondContact N-CE1 2.92Å; D52-H307 IonicContact OD2-CD2 3.47Å; D52-H307 IonicContact OD2-NE2 3.22Å; D52-H307 PolarHBondContact OD2-NE2 3.4Å; D52-H307 VanDerWaalsContact OD2-NE2 3.07Å; I303-H307 PolarHBondContact O-N 3.25Å; F304-H307 WeakPolarHBondContact O-CB 3.19Å; F304-H307 PolarHBondContact O-N 3.02Å; F304-H307 PolarHBondContact O-ND1 3.28Å; H307-L309 VanDerWaalsContact C-N 3.28Å; H307-L309 PolarHBondContact O-N 2.92Å; H307-F310 VanDerWaalsContact O-O 3.13Å; H307-A313 HydrophobicContact CB-CB 3.84Å; H307-Q314 WeakPolarHBondContact O-CB 3.4Å; H307-Q314 PolarHBondContact O-N 3.43Å; H307-V317 HydrophobicContact CB-CG2 4.09Å
308R96.5Very high96.1Very high135 Ų13553.7 Ų53.751%0.50926%0.259SS..THydrogen-bonded Turntrans-73.2-16.5176.4-63.4-174175.3168-2.3114D52 V306D52-R308 IonicContact OD1-CZ 3.65Å; D52-R308 IonicContact OD1-NE 2.8Å; D52-R308 IonicContact OD1-NH2 3.56Å; D52-R308 PolarHBondContact OD1-NH2 3.2Å; D52-R308 IonicContact OD2-CZ 2.81Å; D52-R308 VanDerWaalsContact OD2-CZ 3.32Å; D52-R308 IonicContact OD2-NE 3.37Å; D52-R308 PolarHBondContact OD2-NE 3.45Å; D52-R308 IonicContact OD2-NH2 3.56Å; D52-R308 PolarHBondContact OD2-NH2 3.23Å; V306-R308 PolarHBondContact O-N 3.24Å
309L96.6Very high96.3Very high139 Ų13954.2 Ų54.273%0.72826%0.255SS*.THydrogen-bonded Turntrans-92.7-29178.8-56.9-177000112.2V306 H307V306-L309 HydrophobicContact CB-CB 4.49Å; V306-L309 HydrophobicContact CB-CD1 4.15Å; V306-L309 HydrophobicContact CB-CG 4.44Å; V306-L309 HydrophobicContact CG1-CD1 4.22Å; V306-L309 WeakPolarHBondContact O-CB 3.5Å; V306-L309 PolarHBondContact O-N 3.35Å; H307-L309 VanDerWaalsContact C-N 3.28Å; H307-L309 PolarHBondContact O-N 2.92Å
310F95.6Very high96.5Very high86 Ų8654.2 Ų54.238%0.37726%0.255SS..  trans-110.8117.3-175.8-67.2-89.3000111.3F300 I303 V306 H307 L312 A313 Q314F300-F310 HydrophobicContact CE1-CD1 4.19Å; F300-F310 AromaticContact CE1-CE1 3.89Å; F300-F310 HydrophobicContact CE1-CE1 3.89Å; F300-F310 HydrophobicContact CE1-CE2 4.37Å; F300-F310 AromaticContact CE1-CZ 3.98Å; F300-F310 HydrophobicContact CE1-CZ 3.98Å; F300-F310 HydrophobicContact CZ-CD2 4.22Å; F300-F310 HydrophobicContact CZ-CE1 4.1Å; F300-F310 AromaticContact CZ-CE2 3.79Å; F300-F310 HydrophobicContact CZ-CE2 3.79Å; F300-F310 AromaticContact CZ-CZ 3.71Å; F300-F310 HydrophobicContact CZ-CZ 3.71Å; I303-F310 HydrophobicContact CD1-CB 4.13Å; I303-F310 HydrophobicContact CD1-CG 4.35Å; I303-F310 HydrophobicContact CG1-CB 4.07Å; I303-F310 HydrophobicContact CG1-CD2 4.28Å; I303-F310 HydrophobicContact CG1-CG 4.11Å; V306-F310 HydrophobicContact CB-CD2 4.17Å; V306-F310 HydrophobicContact CB-CE2 4.18Å; V306-F310 HydrophobicContact CG2-CD2 3.62Å; V306-F310 HydrophobicContact CG2-CE2 3.58Å; V306-F310 PolarHBondContact O-N 3.47Å; H307-F310 VanDerWaalsContact O-O 3.13Å; F310-L312 PolarHBondContact O-N 3.29Å; F310-L312 VanDerWaalsContact O-N 3.14Å; F310-A313 HydrophobicContact CB-CB 4.36Å; F310-A313 PolarHBondContact O-N 3.11Å; F310-A313 VanDerWaalsContact O-N 3.1Å; F310-Q314 PolarHBondContact O-N 2.69Å
311K96.6Very high96.6Very high155 Ų15551 Ų5167%0.67424%0.241SC*.Hα-helixtrans-54.9-34.6177.8-70-177.4-178.6175.10113.1R315K311-R315 WeakPolarHBondContact O-CB 3.23Å; K311-R315 WeakPolarHBondContact O-CG 3.32Å; K311-R315 PolarHBondContact O-N 3.49Å
312L96.3Very high96.7Very high28 Ų2857 Ų5715%0.14726%0.264CS..Hα-helixtrans-58.5-58.7175.2178.163.4000110.2L296 S298 I303 F310 Q314 R315 T316L296-L312 HydrophobicContact CB-CD2 4.36Å; L296-L312 HydrophobicContact CD2-CD1 4.48Å; S298-L312 WeakPolarHBondContact OG-CD2 3.49Å; I303-L312 HydrophobicContact CD1-CB 4.37Å; I303-L312 HydrophobicContact CD1-CD2 4.01Å; I303-L312 HydrophobicContact CD1-CG 4.44Å; F310-L312 PolarHBondContact O-N 3.29Å; F310-L312 VanDerWaalsContact O-N 3.14Å; L312-Q314 PolarHBondContact O-N 3.21Å; L312-R315 PolarHBondContact O-N 3.29Å; L312-T316 PolarHBondContact O-N 2.49Å; L312-T316 PolarHBondContact O-OG1 2.05Å
313A96.9Very high96.8Very high0 Ų058.9 Ų58.90%027%0.27CS..Hα-helixtrans-63.2-40-179.900000112.9I303 H307 F310 R315 T316 V317I303-A313 HydrophobicContact CB-CB 4.49Å; I303-A313 HydrophobicContact CD1-CB 4.14Å; I303-A313 HydrophobicContact CG1-CB 3.81Å; I303-A313 HydrophobicContact CG2-CB 4.31Å; I303-A313 WeakPolarHBondContact O-CB 3.46Å; H307-A313 HydrophobicContact CB-CB 3.84Å; F310-A313 HydrophobicContact CB-CB 4.36Å; F310-A313 PolarHBondContact O-N 3.11Å; F310-A313 VanDerWaalsContact O-N 3.1Å; A313-R315 VanDerWaalsContact C-N 3.32Å; A313-R315 PolarHBondContact O-N 2.87Å; A313-T316 PolarHBondContact O-N 3.08Å; A313-V317 WeakPolarHBondContact O-CG2 3.48Å; A313-V317 PolarHBondContact O-N 3.23Å
314Q96.8Very high96.9Very high112 Ų11258.8 Ų58.852%0.52327%0.27SS..Hα-helixtrans-56.8-46.4174.2-169.3-178.729.600111.8H307 F310 L312 A318H307-Q314 WeakPolarHBondContact O-CB 3.4Å; H307-Q314 PolarHBondContact O-N 3.43Å; F310-Q314 PolarHBondContact O-N 2.69Å; L312-Q314 PolarHBondContact O-N 3.21Å; Q314-A318 PolarHBondContact O-N 3.2Å
315R97Very high96.9Very high159 Ų15960.4 Ų60.460%0.628%0.278SS*.Hα-helixtrans-65.7-42.4177.1-73.4171.4-178.2173.7-1.1111.5K311 L312 A313 A318 Q319K311-R315 WeakPolarHBondContact O-CB 3.23Å; K311-R315 WeakPolarHBondContact O-CG 3.32Å; K311-R315 PolarHBondContact O-N 3.49Å; L312-R315 PolarHBondContact O-N 3.29Å; A313-R315 VanDerWaalsContact C-N 3.32Å; A313-R315 PolarHBondContact O-N 2.87Å; R315-A318 PolarHBondContact O-N 3.11Å; R315-Q319 WeakPolarHBondContact O-CB 3.38Å; R315-Q319 VanDerWaalsContact O-CG 3.26Å; R315-Q319 WeakPolarHBondContact O-CG 3.36Å; R315-Q319 PolarHBondContact O-N 3.25Å
316T97.2Very high96.9Very high1 Ų165.3 Ų65.31%0.00629%0.293CS..Hα-helixtrans-65.3-39179.7-51.40000111.6W294 L296 F304 L312 A313 Q319 I320W294-T316 HydrophobicContact CE3-CG2 4.48Å; L296-T316 HydrophobicContact CD1-CG2 4.34Å; L296-T316 HydrophobicContact CD2-CG2 4.03Å; F304-T316 HydrophobicContact CE1-CG2 4.43Å; F304-T316 HydrophobicContact CE2-CG2 4.46Å; F304-T316 HydrophobicContact CZ-CG2 3.63Å; L312-T316 PolarHBondContact O-N 2.49Å; L312-T316 PolarHBondContact O-OG1 2.05Å; A313-T316 PolarHBondContact O-N 3.08Å; T316-Q319 PolarHBondContact O-N 3.36Å; T316-I320 HydrophobicContact CG2-CD1 3.95Å; T316-I320 HydrophobicContact CG2-CG1 4.35Å; T316-I320 WeakPolarHBondContact O-CB 3.37Å; T316-I320 VanDerWaalsContact O-CG1 3.28Å; T316-I320 WeakPolarHBondContact O-CG1 3.41Å; T316-I320 PolarHBondContact O-N 3.25Å
317V97.9Very high96.9Very high5 Ų563.6 Ų63.63%0.0328%0.281CS..Hα-helixtrans-58.7-49.6172.5169.60000110.7L49 L53 F304 H307 A313 Q319 I320 S321L49-V317 HydrophobicContact CD1-CG1 4.5Å; L49-V317 HydrophobicContact CD1-CG2 3.8Å; L53-V317 HydrophobicContact CD2-CG1 4.01Å; L53-V317 HydrophobicContact CG-CG1 4.45Å; F304-V317 HydrophobicContact CD1-CG2 3.66Å; F304-V317 HydrophobicContact CE1-CG2 3.73Å; H307-V317 HydrophobicContact CB-CG2 4.09Å; A313-V317 WeakPolarHBondContact O-CG2 3.48Å; A313-V317 PolarHBondContact O-N 3.23Å; V317-Q319 VanDerWaalsContact C-N 3.32Å; V317-Q319 PolarHBondContact O-N 3.16Å; V317-I320 PolarHBondContact O-N 3.41Å; V317-S321 PolarHBondContact O-N 3.25Å; V317-S321 PolarHBondContact O-OG 3.02Å
318A97.1Very high96.8Very high39 Ų3963.5 Ų63.532%0.32228%0.281SS..Hα-helixtrans-61.4-39.1177.200000112.6Q314 R315 S321 Y322Q314-A318 PolarHBondContact O-N 3.2Å; R315-A318 PolarHBondContact O-N 3.11Å; A318-S321 PolarHBondContact O-N 2.95Å; A318-Y322 WeakPolarHBondContact O-CB 3.47Å; A318-Y322 PolarHBondContact O-N 3.01Å
319Q97.9Very high96.6Very high71 Ų7161.1 Ų61.133%0.33228%0.275SS..Hα-helixtrans-67.9-41.9176.9-73.7169.7-31.500112.7W294 R315 T316 V317 Y322 F323 M348W294-Q319 HydrophobicContact CH2-CB 4.13Å; W294-Q319 HydrophobicContact CZ3-CB 3.92Å; R315-Q319 WeakPolarHBondContact O-CB 3.38Å; R315-Q319 VanDerWaalsContact O-CG 3.26Å; R315-Q319 WeakPolarHBondContact O-CG 3.36Å; R315-Q319 PolarHBondContact O-N 3.25Å; T316-Q319 PolarHBondContact O-N 3.36Å; V317-Q319 VanDerWaalsContact C-N 3.32Å; V317-Q319 PolarHBondContact O-N 3.16Å; Q319-Y322 PolarHBondContact O-N 3.32Å; Q319-F323 VanDerWaalsContact O-CB 3.32Å; Q319-F323 WeakPolarHBondContact O-CB 3.39Å; Q319-F323 PolarHBondContact O-N 2.71Å; Q319-M348 PolarHBondContact NE2-SD 3.41Å; Q319-M348 VanDerWaalsContact NE2-SD 3.41Å; Q319-M348 PolarHBondContact OE1-SD 3.4Å
320I98.2Very high96.1Very high1 Ų156 Ų561%0.00525%0.251CS..Hα-helixtrans-59.8-48.8173.2-73.1164.2000109.2I106 V135 I137 L264 V266 W294 F304 T316 V317 Y322 F323 I324I106-I320 HydrophobicContact CD1-CG2 4.05Å; V135-I320 HydrophobicContact CG1-CG2 4.18Å; I137-I320 HydrophobicContact CD1-CD1 4.12Å; I137-I320 HydrophobicContact CG1-CD1 4.41Å; L264-I320 HydrophobicContact CD2-CG1 3.97Å; L264-I320 HydrophobicContact CD2-CG2 4.41Å; V266-I320 HydrophobicContact CG2-CD1 4.2Å; W294-I320 HydrophobicContact CE3-CG1 4.31Å; W294-I320 HydrophobicContact CZ3-CG1 3.72Å; F304-I320 HydrophobicContact CE1-CD1 3.58Å; F304-I320 HydrophobicContact CZ-CD1 3.78Å; T316-I320 HydrophobicContact CG2-CD1 3.95Å; T316-I320 HydrophobicContact CG2-CG1 4.35Å; T316-I320 WeakPolarHBondContact O-CB 3.37Å; T316-I320 VanDerWaalsContact O-CG1 3.28Å; T316-I320 WeakPolarHBondContact O-CG1 3.41Å; T316-I320 PolarHBondContact O-N 3.25Å; V317-I320 PolarHBondContact O-N 3.41Å; I320-Y322 VanDerWaalsContact C-N 3.32Å; I320-Y322 PolarHBondContact O-N 3.07Å; I320-F323 WeakPolarHBondContact O-CB 3.36Å; I320-F323 PolarHBondContact O-N 2.78Å; I320-F323 VanDerWaalsContact O-N 3.15Å; I320-I324 HydrophobicContact CG2-CD1 3.59Å; I320-I324 HydrophobicContact CG2-CG1 4.22Å; I320-I324 WeakPolarHBondContact O-CB 2.94Å; I320-I324 VanDerWaalsContact O-CG1 3.26Å; I320-I324 WeakPolarHBondContact O-CG1 3.21Å; I320-I324 PolarHBondContact O-N 3.19Å
321S97.8Very high94.6Very high1 Ų157.8 Ų57.81%0.00728%0.275CS..Hα-helixtrans-57.9-44.3178.3-66.50000112.2E56 V317 A318 I324 L325E56-S321 WeakPolarHBondContact CB-OG 3.39Å; V317-S321 PolarHBondContact O-N 3.25Å; V317-S321 PolarHBondContact O-OG 3.02Å; A318-S321 PolarHBondContact O-N 2.95Å; S321-I324 PolarHBondContact O-N 3.07Å; S321-L325 WeakPolarHBondContact O-CB 3.15Å; S321-L325 PolarHBondContact O-N 3.05Å
322Y97.2Very high92.5Very high142 Ų14257.5 Ų57.556%0.55728%0.276SS*.Hα-helixtrans-64.6-42.2175.4-179.5-102.4000112.7A318 Q319 I320 L325 R326A318-Y322 WeakPolarHBondContact O-CB 3.47Å; A318-Y322 PolarHBondContact O-N 3.01Å; Q319-Y322 PolarHBondContact O-N 3.32Å; I320-Y322 VanDerWaalsContact C-N 3.32Å; I320-Y322 PolarHBondContact O-N 3.07Å; Y322-L325 PolarHBondContact O-N 3.43Å; Y322-R326 HydrophobicContact CE1-CG 4.16Å; Y322-R326 HydrophobicContact CE2-CG 4.34Å; Y322-R326 VanDerWaalsContact CZ-CD 3.43Å; Y322-R326 WeakPolarHBondContact O-CG 3.22Å; Y322-R326 PolarHBondContact O-N 3.43Å; Y322-R326 WeakPolarHBondContact OH-CD 2.9Å; Y322-R326 PolarHBondContact OH-NH1 3.22Å; Y322-R326 VanDerWaalsContact OH-NH1 3.08Å
323F97.8Very high90.2Very high45 Ų4560.4 Ų60.420%0.19730%0.304CS..Hα-helixtrans-61-47.1176.5178.2-87.8000111.4L133 L264 S292 W294 Q319 I320 R326 H327L133-F323 HydrophobicContact CD1-CE1 3.99Å; L133-F323 HydrophobicContact CD2-CD1 4.1Å; L133-F323 HydrophobicContact CD2-CE1 3.9Å; L264-F323 HydrophobicContact CB-CD1 4.34Å; L264-F323 HydrophobicContact CB-CE1 3.89Å; L264-F323 HydrophobicContact CD2-CD1 3.76Å; L264-F323 HydrophobicContact CD2-CE1 4.14Å; L264-F323 HydrophobicContact CD2-CG 4.25Å; L264-F323 HydrophobicContact CG-CE1 4.47Å; S292-F323 WeakPolarHBondContact OG-CZ 3.25Å; W294-F323 HydrophobicContact CH2-CB 3.84Å; W294-F323 HydrophobicContact CH2-CD2 4.36Å; W294-F323 HydrophobicContact CH2-CG 4.21Å; W294-F323 HydrophobicContact CZ2-CB 4.13Å; W294-F323 AromaticContact CZ2-CD2 3.77Å; W294-F323 HydrophobicContact CZ2-CD2 3.77Å; W294-F323 HydrophobicContact CZ2-CE2 4.43Å; W294-F323 HydrophobicContact CZ2-CG 4.04Å; Q319-F323 VanDerWaalsContact O-CB 3.32Å; Q319-F323 WeakPolarHBondContact O-CB 3.39Å; Q319-F323 PolarHBondContact O-N 2.71Å; I320-F323 WeakPolarHBondContact O-CB 3.36Å; I320-F323 PolarHBondContact O-N 2.78Å; I320-F323 VanDerWaalsContact O-N 3.15Å; F323-R326 PolarHBondContact O-N 2.99Å; F323-H327 WeakPolarHBondContact O-CB 3.48Å; F323-H327 PolarHBondContact O-N 3.47Å
324I98.1Very high87.8Confident0 Ų063.5 Ų63.50%032%0.323CS..Hα-helixtrans-56.1-54.7175.2-72.5170.1000110.1L30 T57 M59 V104 I106 L133 V135 I320 S321 R326 H327 V328L30-I324 HydrophobicContact CD2-CD1 4.31Å; L30-I324 HydrophobicContact CD2-CG2 3.86Å; T57-I324 HydrophobicContact CG2-CB 4.5Å; T57-I324 HydrophobicContact CG2-CG2 4.3Å; M59-I324 HydrophobicContact CE-CG2 4.32Å; M59-I324 HydrophobicContact SD-CG2 3.69Å; V104-I324 HydrophobicContact CG1-CD1 4.42Å; V104-I324 HydrophobicContact CG1-CG1 4.43Å; V104-I324 HydrophobicContact CG2-CG2 4.16Å; I106-I324 HydrophobicContact CD1-CD1 4.2Å; L133-I324 HydrophobicContact CD2-CG1 3.89Å; V135-I324 HydrophobicContact CG2-CD1 4.19Å; V135-I324 HydrophobicContact CG2-CG1 4.18Å; I320-I324 HydrophobicContact CG2-CD1 3.59Å; I320-I324 HydrophobicContact CG2-CG1 4.22Å; I320-I324 WeakPolarHBondContact O-CB 2.94Å; I320-I324 VanDerWaalsContact O-CG1 3.26Å; I320-I324 WeakPolarHBondContact O-CG1 3.21Å; I320-I324 PolarHBondContact O-N 3.19Å; S321-I324 PolarHBondContact O-N 3.07Å; I324-R326 VanDerWaalsContact C-N 3.3Å; I324-R326 PolarHBondContact O-N 2.9Å; I324-H327 PolarHBondContact O-N 3.45Å; I324-V328 HydrophobicContact CG2-CG2 4.13Å; I324-V328 WeakPolarHBondContact O-CB 3.5Å; I324-V328 WeakPolarHBondContact O-CG2 3.47Å; I324-V328 PolarHBondContact O-N 3.38Å
325L96.2Very high85Confident36 Ų3662.9 Ų62.919%0.18833%0.329CS..Hα-helixtrans-58.7-42.6-175.9-175.662.8000111.6L25 S321 Y322 H327 E329L25-L325 HydrophobicContact CB-CD1 4.27Å; L25-L325 HydrophobicContact CB-CD2 4.25Å; L25-L325 HydrophobicContact CD1-CD2 4.19Å; S321-L325 WeakPolarHBondContact O-CB 3.15Å; S321-L325 PolarHBondContact O-N 3.05Å; Y322-L325 PolarHBondContact O-N 3.43Å; L325-H327 PolarHBondContact O-N 3.47Å; L325-E329 HydrophobicContact CD1-CG 4.13Å; L325-E329 WeakPolarHBondContact O-CB 3.49Å; L325-E329 WeakPolarHBondContact O-CG 3.21Å; L325-E329 PolarHBondContact O-N 2.77Å
326R95.4Very high82.3Confident160 Ų16058.4 Ų58.460%0.60432%0.321SS*.Hα-helixtrans-63.1-40.9175.6-75.2-169.570.7150-1.2113.2Y322 F323 I324 S330Y322-R326 HydrophobicContact CE1-CG 4.16Å; Y322-R326 HydrophobicContact CE2-CG 4.34Å; Y322-R326 VanDerWaalsContact CZ-CD 3.43Å; Y322-R326 WeakPolarHBondContact O-CG 3.22Å; Y322-R326 PolarHBondContact O-N 3.43Å; Y322-R326 WeakPolarHBondContact OH-CD 2.9Å; Y322-R326 PolarHBondContact OH-NH1 3.22Å; Y322-R326 VanDerWaalsContact OH-NH1 3.08Å; F323-R326 PolarHBondContact O-N 2.99Å; I324-R326 VanDerWaalsContact C-N 3.3Å; I324-R326 PolarHBondContact O-N 2.9Å; R326-S330 WeakPolarHBondContact O-CB 3.32Å; R326-S330 PolarHBondContact O-N 3.42Å; R326-S330 PolarHBondContact O-OG 3.42Å
327H94.3Very high79.2Confident16 Ų1661.7 Ų61.77%0.07434%0.343CS..Hα-helixtrans-72.7-37.6-178-165.289.9000112K132 F323 I324 L325 S330 T334K132-H327 WeakPolarHBondContact CE-O 3.5Å; K132-H327 PolarHBondContact O-NE2 3.04Å; F323-H327 WeakPolarHBondContact O-CB 3.48Å; F323-H327 PolarHBondContact O-N 3.47Å; I324-H327 PolarHBondContact O-N 3.45Å; L325-H327 PolarHBondContact O-N 3.47Å; H327-S330 PolarHBondContact O-OG 2.94Å; H327-T334 PolarHBondContact CE1-OG1 3.17Å; H327-T334 PolarHBondContact ND1-OG1 3.25Å
328V95.2Very high76.1Confident3 Ų370.8 Ų70.82%0.01838%0.382CS..Hα-helixtrans-68-42.7177.5170.60000111.3M59 K102 V104 K132 I324M59-V328 HydrophobicContact CE-CG1 4.41Å; M59-V328 HydrophobicContact CE-CG2 4.02Å; M59-V328 HydrophobicContact SD-CG2 4.4Å; K102-V328 HydrophobicContact CB-CG1 3.68Å; K102-V328 HydrophobicContact CD-CG1 3.73Å; K102-V328 HydrophobicContact CG-CG1 3.76Å; V104-V328 HydrophobicContact CG2-CG2 3.56Å; K132-V328 HydrophobicContact CG-CG2 4.2Å; I324-V328 HydrophobicContact CG2-CG2 4.13Å; I324-V328 WeakPolarHBondContact O-CB 3.5Å; I324-V328 WeakPolarHBondContact O-CG2 3.47Å; I324-V328 PolarHBondContact O-N 3.38Å
329E92.7Very high73Confident84 Ų8474.2 Ų74.239%0.39340%0.395SS..Hα-helixtrans-85.4-12-178.3-63.5-52.1132.400114.3S26 K102 L325 S331S26-E329 VanDerWaalsContact CB-OE1 3.24Å; S26-E329 WeakPolarHBondContact CB-OE1 3.26Å; S26-E329 PolarHBondContact OG-OE1 3.1Å; K102-E329 IonicContact NZ-OE1 3.03Å; K102-E329 PolarHBondContact NZ-OE1 2.91Å; K102-E329 IonicContact NZ-OE2 3.71Å; K102-E329 PolarHBondContact NZ-OE2 3.05Å; L325-E329 HydrophobicContact CD1-CG 4.13Å; L325-E329 WeakPolarHBondContact O-CB 3.49Å; L325-E329 WeakPolarHBondContact O-CG 3.21Å; L325-E329 PolarHBondContact O-N 2.77Å; E329-S331 PolarHBondContact O-N 3.5Å
330S87.2Confident70.1Confident32 Ų3273.5 Ų73.522%0.22439%0.39CS..  trans-68.2121.5173.262.30000111.1R326 H327 Q332R326-S330 WeakPolarHBondContact O-CB 3.32Å; R326-S330 PolarHBondContact O-N 3.42Å; R326-S330 PolarHBondContact O-OG 3.42Å; H327-S330 PolarHBondContact O-OG 2.94Å; S330-Q332 VanDerWaalsContact C-N 3.27Å; S330-Q332 PolarHBondContact OG-O 3.33Å
331S63.6Low67Low124 Ų12482.3 Ų82.387%0.86742%0.424SS*.SBendtrans-71.6-21.2173.755.80000113.2E329E329-S331 PolarHBondContact O-N 3.5Å
332Q52.2Low64.3Low148 Ų14887.2 Ų87.269%0.69245%0.445SS*.SBendtrans-92.7135.9174.2-63.5-175.7-2.100109.2S330 T334S330-Q332 VanDerWaalsContact C-N 3.27Å; S330-Q332 PolarHBondContact OG-O 3.33Å; Q332-T334 PolarHBondContact O-N 3.29Å
333A48.1Very low61.4Low90 Ų9083.9 Ų83.974%0.74444%0.441SS*.  trans-54.1113.9158.800000106.2P335A333-P335 VanDerWaalsContact O-CD 3.32Å; A333-P335 WeakPolarHBondContact O-CD 3.48Å
334T46.3Very low58.3Low64 Ų6490.9 Ų90.939%0.39347%0.474SS..  trans-50.2118.8173.129.70000106.6H327 Q332 S336H327-T334 PolarHBondContact CE1-OG1 3.17Å; H327-T334 PolarHBondContact ND1-OG1 3.25Å; Q332-T334 PolarHBondContact O-N 3.29Å; T334-S336 PolarHBondContact O-N 2.96Å
335P37.2Very low55.4Low100 Ų10092.3 Ų92.365%0.64948%0.483SS*.  trans-55.7133.8177.219.9-29.3000107.4A333 P337A333-P335 VanDerWaalsContact O-CD 3.32Å; A333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-P337 VanDerWaalsContact O-N 3.13Å
336S39.8Very low52.7Low64 Ų6494 Ų9445%0.44850%0.498SS..  trans-43.5125.7166.4-46.80000106.5T334 K338T334-S336 PolarHBondContact O-N 2.96Å; S336-K338 PolarHBondContact O-N 3.26Å
337P33.5Very low49.7Very low71 Ų7190 Ų9046%0.46149%0.488SS..  trans-47.7111.6178.7-25.831.9000107.8P335 L339 F340P335-P337 VanDerWaalsContact O-N 3.13Å; P337-L339 CarbonylContact O-C 3.56Å; P337-L339 PolarHBondContact O-N 3.34Å; P337-F340 PolarHBondContact O-N 3.28Å
338K31.9Very low47.1Very low196 Ų19690.9 Ų90.985%0.85249%0.492SS*.SBendtrans-62.4110172.8-76.8-174.3177.5-178.50103.7S336S336-K338 PolarHBondContact O-N 3.26Å
339L32.6Very low44.3Very low111 Ų11197.8 Ų97.858%0.58154%0.537SS*.  trans79.592.1-160.7-63.493.1000114.7P337 R341P337-L339 CarbonylContact O-C 3.56Å; P337-L339 PolarHBondContact O-N 3.34Å; L339-R341 HydrophobicContact CB-CG 4.11Å; L339-R341 HydrophobicContact CD2-CG 3.6Å; L339-R341 HydrophobicContact CG-CG 4.48Å; L339-R341 PolarHBondContact O-N 2.71Å
340F37.3Very low41.9Very low55 Ų5598.5 Ų98.524%0.24154%0.544CS..  -59.170.1128.7-121.5-102.8000107.9H285 V291 P337H285-F340 HydrophobicContact CB-CD1 4.33Å; H285-F340 HydrophobicContact CB-CD2 4.18Å; H285-F340 HydrophobicContact CB-CE1 4.01Å; H285-F340 HydrophobicContact CB-CE2 3.86Å; H285-F340 HydrophobicContact CB-CG 4.4Å; H285-F340 HydrophobicContact CB-CZ 3.76Å; H285-F340 AromaticContact CD2-CD1 3.65Å; H285-F340 AromaticContact CD2-CD2 3.92Å; H285-F340 AromaticContact CD2-CG 3.49Å; H285-F340 VanDerWaalsContact CD2-CG 3.49Å; H285-F340 WeakPolarHBondContact CD2-CG 3.34Å; H285-F340 VanDerWaalsContact CE1-CB 3.4Å; H285-F340 WeakPolarHBondContact CE1-CB 3.43Å; H285-F340 AromaticContact CE1-CD2 3.58Å; H285-F340 AromaticContact CE1-CG 3.62Å; H285-F340 AromaticContact CG-CD1 3.79Å; H285-F340 AromaticContact CG-CD2 3.47Å; H285-F340 VanDerWaalsContact CG-CD2 3.47Å; H285-F340 AromaticContact CG-CE1 3.98Å; H285-F340 AromaticContact CG-CE2 3.67Å; H285-F340 AromaticContact CG-CG 3.53Å; H285-F340 AromaticContact CG-CZ 3.92Å; H285-F340 AromaticContact ND1-CD2 3.22Å; H285-F340 WeakPolarHBondContact ND1-CD2 3.38Å; H285-F340 AromaticContact ND1-CE2 3.67Å; H285-F340 AromaticContact ND1-CG 3.6Å; H285-F340 WeakPolarHBondContact NE2-CB 3.27Å; H285-F340 AromaticContact NE2-CD2 3.99Å; H285-F340 AromaticContact NE2-CG 3.55Å; V291-F340 HydrophobicContact CB-CE2 3.73Å; V291-F340 HydrophobicContact CB-CZ 3.81Å; V291-F340 HydrophobicContact CG1-CE2 4.29Å; V291-F340 HydrophobicContact CG1-CZ 3.92Å; V291-F340 WeakPolarHBondContact O-CE2 3.02Å; P337-F340 PolarHBondContact O-N 3.28Å
341R32.1Very low39.5Very low187 Ų187101.9 Ų101.971%0.70656%0.561SS**  trans-67130.4144.2-81.3178.2-170.5-163.36.4102.3L339 P343L339-R341 HydrophobicContact CB-CG 4.11Å; L339-R341 HydrophobicContact CD2-CG 3.6Å; L339-R341 HydrophobicContact CG-CG 4.48Å; L339-R341 PolarHBondContact O-N 2.71Å; R341-P343 WeakPolarHBondContact O-CD 3.32Å
342F41Very low38.2Very low103 Ų103100.7 Ų100.745%0.45254%0.544SS..  trans-44.3108.8147.6-71.6-69.3000103.8F278 Y282 E344F278-F342 HydrophobicContact CE2-CD1 4.17Å; F278-F342 AromaticContact CE2-CE1 3.41Å; F278-F342 HydrophobicContact CE2-CE1 3.41Å; F278-F342 VanDerWaalsContact CE2-CE1 3.41Å; F278-F342 HydrophobicContact CE2-CZ 4.26Å; F278-F342 HydrophobicContact CZ-CD1 4.38Å; F278-F342 AromaticContact CZ-CE1 3.3Å; F278-F342 HydrophobicContact CZ-CE1 3.3Å; F278-F342 AromaticContact CZ-CZ 3.68Å; F278-F342 HydrophobicContact CZ-CZ 3.68Å; Y282-F342 HydrophobicContact CD2-CZ 4.35Å; Y282-F342 HydrophobicContact CE2-CZ 4.47Å; F342-E344 PolarHBondContact O-N 2.85Å
343P35.9Very low37.3Very low73 Ų7397.9 Ų97.947%0.47454%0.536SS..  trans-55.1139.2166.2-13.530.1000102.1R341 V345R341-P343 WeakPolarHBondContact O-CD 3.32Å; P343-V345 WeakPolarHBondContact O-CA 3.42Å; P343-V345 PolarHBondContact O-N 2.96Å
344E33.5Very low36.7Very low191 Ų19198.4 Ų98.489%0.89352%0.523SS*.SBendtrans-36.8108.9139.4-71.6178.9166.400104.2F342 S346F342-E344 PolarHBondContact O-N 2.85Å; E344-S346 PolarHBondContact O-N 3Å
345V37.2Very low36Very low31 Ų31100.7 Ų100.719%0.18853%0.531CS..  trans-34.9134.4-153.7166.20000108.4H295 P343 L347H295-V345 HydrophobicContact CB-CG1 4.11Å; P343-V345 WeakPolarHBondContact O-CA 3.42Å; P343-V345 PolarHBondContact O-N 2.96Å; V345-L347 HydrophobicContact CB-CD1 4.38Å; V345-L347 HydrophobicContact CB-CD2 3.51Å; V345-L347 HydrophobicContact CB-CG 3.6Å; V345-L347 HydrophobicContact CG1-CB 4.45Å; V345-L347 HydrophobicContact CG1-CD2 3.28Å; V345-L347 HydrophobicContact CG1-CG 3.66Å; V345-L347 HydrophobicContact CG2-CD2 4.44Å; V345-L347 WeakPolarHBondContact O-CA 3.3Å; V345-L347 WeakPolarHBondContact O-CB 3.43Å; V345-L347 WeakPolarHBondContact O-CG 3.42Å; V345-L347 PolarHBondContact O-N 3.4Å
346S39.9Very low35.9Very low72 Ų72100.8 Ų100.850%0.50352%0.523SS..  trans-66.784.2168.9-172.40000106E344 M348E344-S346 PolarHBondContact O-N 3Å; S346-M348 VanDerWaalsContact C-N 3.27Å; S346-M348 PolarHBondContact O-N 3.06Å
347L32.5Very low35.6Very low75 Ų75103.6 Ų103.639%0.39353%0.529SS..EExtended strand (participates in β ladder)trans-79.787.6-168-83.4169000102.1K297 V345 P349K297-L347 HydrophobicContact CD-CB 4.41Å; K297-L347 HydrophobicContact CD-CD2 3.23Å; K297-L347 HydrophobicContact CD-CG 4.2Å; K297-L347 HydrophobicContact CG-CD2 3.5Å; K297-L347 VanDerWaalsContact CG-CD2 3.5Å; K297-L347 VanDerWaalsContact NZ-CB 3.32Å; K297-L347 VanDerWaalsContact NZ-CG 3.29Å; V345-L347 HydrophobicContact CB-CD1 4.38Å; V345-L347 HydrophobicContact CB-CD2 3.51Å; V345-L347 HydrophobicContact CB-CG 3.6Å; V345-L347 HydrophobicContact CG1-CB 4.45Å; V345-L347 HydrophobicContact CG1-CD2 3.28Å; V345-L347 HydrophobicContact CG1-CG 3.66Å; V345-L347 HydrophobicContact CG2-CD2 4.44Å; V345-L347 WeakPolarHBondContact O-CA 3.3Å; V345-L347 WeakPolarHBondContact O-CB 3.43Å; V345-L347 WeakPolarHBondContact O-CG 3.42Å; V345-L347 PolarHBondContact O-N 3.4Å; L347-P349 VanDerWaalsContact O-CD 3.28Å; L347-P349 WeakPolarHBondContact O-CD 3.5Å; L347-P349 VanDerWaalsContact O-N 3.12Å
348M39.5Very low35.8Very low34 Ų34106.3 Ų106.317%0.16753%0.534CS..EExtended strand (participates in β ladder)trans-53.9119164.2-72.2-89.5-174.800106W294 Q319 S346W294-M348 HydrophobicContact CD2-CE 4.39Å; W294-M348 HydrophobicContact CE3-CE 4.26Å; Q319-M348 PolarHBondContact NE2-SD 3.41Å; Q319-M348 VanDerWaalsContact NE2-SD 3.41Å; Q319-M348 PolarHBondContact OE1-SD 3.4Å; S346-M348 VanDerWaalsContact C-N 3.27Å; S346-M348 PolarHBondContact O-N 3.06Å
349P36.2Very low36.2Very low148 Ų14898.2 Ų98.296%0.96151%0.505SS*.  trans-65.10179.625.6-32.7000112.5L347L347-P349 VanDerWaalsContact O-CD 3.28Å; L347-P349 WeakPolarHBondContact O-CD 3.5Å; L347-P349 VanDerWaalsContact O-N 3.12Å

Retrieved 349 of 349 residues in 879.1 ms (Link to these results)

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