A0A087XP78_POEFO Loading...

Translationally-controlled tumor protein homolog

AlphaFold DB , UniProt , Accession A0A087XP78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 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
1M89.5Confident96.9Very high119 Ų11940.5 Ų40.559%0.58621%0.207SC*.  0145.40177.6176.562.300107.4I3 T17 C170M1-I3 HydrophobicContact CE-CD1 3.77Å; M1-I3 HydrophobicContact CE-CG1 4.28Å; M1-I3 HydrophobicContact CG-CD1 4.14Å; M1-I3 HydrophobicContact SD-CD1 4.07Å; M1-T17 HydrophobicContact CG-CG2 4.42Å; M1-T17 HydrophobicContact SD-CG2 4.3Å; M1-C170 PolarHBondContact N-O 2.78Å; M1-C170 PolarHBondContact O-N 2.81Å
2I96.3Very high97Very high39 Ų3944 Ų4420%0.222%0.222CC..EExtended strand (participates in β ladder)trans-108.8128.3176.7-59.5174.6000108.9Y4 S15 D16 V167 E168 K169I2-Y4 HydrophobicContact CB-CE2 4.32Å; I2-Y4 HydrophobicContact CG2-CD2 4.18Å; I2-Y4 HydrophobicContact CG2-CE2 3.66Å; I2-S15 CarbonylContact O-C 2.89Å; I2-S15 WeakPolarHBondContact O-CA 3.38Å; I2-S15 WeakPolarHBondContact O-CB 3.45Å; I2-D16 HydrophobicContact CB-CB 3.86Å; I2-D16 WeakPolarHBondContact CB-OD2 3.42Å; I2-D16 HydrophobicContact CG1-CB 4.5Å; I2-D16 WeakPolarHBondContact CG1-OD2 3.43Å; I2-D16 PolarHBondContact N-OD1 2.91Å; I2-D16 PolarHBondContact N-OD2 2.91Å; I2-D16 VanDerWaalsContact N-OD2 3.11Å; I2-D16 PolarHBondContact O-N 3.18Å; I2-V167 HydrophobicContact CG2-CG1 3.38Å; I2-E168 WeakPolarHBondContact CA-O 3.48Å; I2-K169 HydrophobicContact CG1-CG 4.19Å
3I97.3Very high97.1Very high6 Ų640.6 Ų40.63%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-108.5135.4174.4-57-56.7000109M1 K5 E12 E168M1-I3 HydrophobicContact CE-CD1 3.77Å; M1-I3 HydrophobicContact CE-CG1 4.28Å; M1-I3 HydrophobicContact CG-CD1 4.14Å; M1-I3 HydrophobicContact SD-CD1 4.07Å; I3-K5 HydrophobicContact CG2-CG 3.85Å; I3-E12 HydrophobicContact CG2-CB 3.99Å; I3-E12 HydrophobicContact CG2-CG 3.62Å; I3-E168 PolarHBondContact N-O 3.14Å; I3-E168 PolarHBondContact O-N 2.99Å
4Y98.4Very high97.2Very high26 Ų2637.7 Ų37.710%0.10219%0.19CC..EExtended strand (participates in β ladder)trans-105.8108.9177.5-64.6-100.4000108.7I2 M13 F14 D16 Y29 L165 L166 V167I2-Y4 HydrophobicContact CB-CE2 4.32Å; I2-Y4 HydrophobicContact CG2-CD2 4.18Å; I2-Y4 HydrophobicContact CG2-CE2 3.66Å; Y4-M13 PolarHBondContact O-N 3.11Å; Y4-F14 HydrophobicContact CD1-CE1 4.4Å; Y4-F14 AromaticContact CD1-CE2 3.75Å; Y4-F14 HydrophobicContact CD1-CE2 3.75Å; Y4-F14 AromaticContact CD1-CZ 3.55Å; Y4-F14 HydrophobicContact CD1-CZ 3.55Å; Y4-F14 AromaticContact CD2-CD2 3.52Å; Y4-F14 HydrophobicContact CD2-CD2 3.52Å; Y4-F14 AromaticContact CD2-CE2 3.2Å; Y4-F14 HydrophobicContact CD2-CE2 3.2Å; Y4-F14 HydrophobicContact CD2-CG 4.35Å; Y4-F14 AromaticContact CD2-CZ 3.83Å; Y4-F14 HydrophobicContact CD2-CZ 3.83Å; Y4-F14 HydrophobicContact CE1-CE2 4.07Å; Y4-F14 HydrophobicContact CE1-CZ 4.13Å; Y4-F14 HydrophobicContact CE2-CD2 4.1Å; Y4-F14 AromaticContact CE2-CE2 3.58Å; Y4-F14 HydrophobicContact CE2-CE2 3.58Å; Y4-F14 HydrophobicContact CE2-CZ 4.39Å; Y4-F14 AromaticContact CG-CD2 3.89Å; Y4-F14 HydrophobicContact CG-CD2 3.89Å; Y4-F14 HydrophobicContact CG-CE1 4.01Å; Y4-F14 AromaticContact CG-CE2 3.3Å; Y4-F14 HydrophobicContact CG-CE2 3.3Å; Y4-F14 HydrophobicContact CG-CG 4.45Å; Y4-F14 AromaticContact CG-CZ 3.37Å; Y4-F14 HydrophobicContact CG-CZ 3.37Å; Y4-F14 AromaticContact CZ-CE2 3.99Å; Y4-F14 PolarHBondContact N-O 3.26Å; Y4-D16 HydrophobicContact CE2-CB 4.36Å; Y4-Y29 HydrophobicContact CD1-CE2 4.23Å; Y4-Y29 HydrophobicContact CE1-CE2 4.03Å; Y4-L165 HydrophobicContact CD1-CD1 4.38Å; Y4-L166 WeakPolarHBondContact CA-O 3.33Å; Y4-V167 HydrophobicContact CD1-CG2 3.99Å; Y4-V167 HydrophobicContact CE1-CG1 4.44Å; Y4-V167 HydrophobicContact CE1-CG2 3.89Å
5K98.4Very high97.2Very high22 Ų2235.5 Ų35.510%0.09618%0.18CC..EExtended strand (participates in β ladder)trans-105.5142.8-176-61.9-175.5-178.4167.30111.4I3 I7 D11 E12 L165 L166 E168I3-K5 HydrophobicContact CG2-CG 3.85Å; K5-I7 PolarHBondContact O-N 2.76Å; K5-D11 CarbonylContact C-O 3.56Å; K5-D11 WeakPolarHBondContact CA-O 3.38Å; K5-E12 HydrophobicContact CD-CG 4.47Å; K5-E12 HydrophobicContact CG-CG 4.17Å; K5-L165 CarbonylContact O-C 3.52Å; K5-L165 VanDerWaalsContact O-CA 3.25Å; K5-L165 WeakPolarHBondContact O-CA 3.46Å; K5-L166 PolarHBondContact N-O 2.92Å; K5-L166 PolarHBondContact O-N 2.78Å; K5-E168 IonicContact NZ-OE1 3.88Å; K5-E168 PolarHBondContact NZ-OE1 3.16Å; K5-E168 IonicContact NZ-OE2 2.73Å; K5-E168 PolarHBondContact NZ-OE2 3.08Å
6C98.5Very high97.2Very high0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-62.7128.6171.71780000110.2I8 S9 N10 D11 M13 M143C6-I8 PolarHBondContact O-N 2.76Å; C6-I8 VanDerWaalsContact O-N 3.14Å; C6-I8 PolarHBondContact SG-N 2.89Å; C6-S9 WeakPolarHBondContact CB-OG 3.5Å; C6-N10 WeakPolarHBondContact O-CA 3.31Å; C6-N10 PolarHBondContact O-N 2.83Å; C6-D11 PolarHBondContact N-O 3.23Å; C6-M13 HydrophobicContact CB-CG 4.16Å; C6-M13 HydrophobicContact CB-SD 4.2Å; C6-M143 HydrophobicContact CB-CB 4.06Å; C6-M143 VanDerWaalsContact SG-CB 3.59Å; C6-M143 PolarHBondContact SG-N 3.41Å
7I97.7Very high97.1Very high35 Ų3540.9 Ų40.918%0.17922%0.215CC..THydrogen-bonded Turntrans-66.2-15.8-18065.4-175.6000114.6K5 V97 K100 G164 L165 L166K5-I7 PolarHBondContact O-N 2.76Å; I7-V97 HydrophobicContact CD1-CG2 4.33Å; I7-K100 HydrophobicContact CD1-CB 3.88Å; I7-K100 HydrophobicContact CD1-CG 4Å; I7-G164 PolarHBondContact N-O 3.08Å; I7-L165 VanDerWaalsContact CG2-C 3.44Å; I7-L166 HydrophobicContact CB-CD1 4.37Å; I7-L166 HydrophobicContact CG2-CB 4.21Å; I7-L166 HydrophobicContact CG2-CD1 3.97Å; I7-L166 HydrophobicContact CG2-CG 3.77Å
8I97.2Very high97.1Very high51 Ų5140.1 Ų40.126%0.26221%0.209SC..THydrogen-bonded Turntrans-96.5-55.2-177.6-57.7175.3000110.1C6 Y93 A96 E141C6-I8 PolarHBondContact O-N 2.76Å; C6-I8 VanDerWaalsContact O-N 3.14Å; C6-I8 PolarHBondContact SG-N 2.89Å; I8-Y93 HydrophobicContact CD1-CD2 3.73Å; I8-Y93 HydrophobicContact CD1-CE2 3.67Å; I8-A96 HydrophobicContact CD1-CB 3.61Å; I8-A96 HydrophobicContact CG1-CB 4.47Å; I8-E141 VanDerWaalsContact CD1-O 3.28Å; I8-E141 WeakPolarHBondContact CD1-O 3.4Å; I8-E141 HydrophobicContact CG2-CB 4.23Å
9S97.5Very high97.1Very high22 Ų2244.6 Ų44.615%0.15423%0.227CC..THydrogen-bonded Turntrans-89.2-16.8-176.167.90000114.1C6 D11C6-S9 WeakPolarHBondContact CB-OG 3.5Å; S9-D11 WeakPolarHBondContact CB-OD2 3.33Å; S9-D11 PolarHBondContact O-N 2.93Å; S9-D11 WeakPolarHBondContact OG-CB 3.33Å; S9-D11 VanDerWaalsContact OG-CG 3.26Å; S9-D11 PolarHBondContact OG-N 3.15Å; S9-D11 PolarHBondContact OG-OD2 3.1Å
10N97.3Very high97.1Very high102 Ų10244.5 Ų44.555%0.54523%0.228SC..  trans63.510.5-170.2-159.943.6000114.6C6C6-N10 WeakPolarHBondContact O-CA 3.31Å; C6-N10 PolarHBondContact O-N 2.83Å
11D97.9Very high97.1Very high23 Ų2347.2 Ų47.212%0.12324%0.238CC..  trans-70.2144.7174.5-62.6-44.9000111K5 C6 S9 M13 S137K5-D11 CarbonylContact C-O 3.56Å; K5-D11 WeakPolarHBondContact CA-O 3.38Å; C6-D11 PolarHBondContact N-O 3.23Å; S9-D11 WeakPolarHBondContact CB-OD2 3.33Å; S9-D11 PolarHBondContact O-N 2.93Å; S9-D11 WeakPolarHBondContact OG-CB 3.33Å; S9-D11 VanDerWaalsContact OG-CG 3.26Å; S9-D11 PolarHBondContact OG-N 3.15Å; S9-D11 PolarHBondContact OG-OD2 3.1Å; D11-M13 HydrophobicContact CB-SD 4.4Å; D11-M13 PolarHBondContact O-N 3.08Å; D11-S137 VanDerWaalsContact CG-OG 3.28Å; D11-S137 VanDerWaalsContact OD1-CB 3.27Å; D11-S137 WeakPolarHBondContact OD1-CB 3.2Å; D11-S137 PolarHBondContact OD1-N 2.91Å; D11-S137 PolarHBondContact OD1-OG 3.49Å; D11-S137 WeakPolarHBondContact OD2-CB 3.24Å; D11-S137 PolarHBondContact OD2-OG 3.38Å
12E97.9Very high97.5Very high83 Ų8345.9 Ų45.939%0.38823%0.231SC..EExtended strand (participates in β ladder)trans-72.6123.7170.4-55.4-168.8170.800110I3 K5I3-E12 HydrophobicContact CG2-CB 3.99Å; I3-E12 HydrophobicContact CG2-CG 3.62Å; K5-E12 HydrophobicContact CD-CG 4.47Å; K5-E12 HydrophobicContact CG-CG 4.17Å
13M98.4Very high97.5Very high0 Ų045.4 Ų45.40%023%0.23CC..EExtended strand (participates in β ladder)trans-99.7-41-179.2-57.3-55.6-58.600111.6Y4 C6 D11 L76 M143 F160 L165Y4-M13 PolarHBondContact O-N 3.11Å; C6-M13 HydrophobicContact CB-CG 4.16Å; C6-M13 HydrophobicContact CB-SD 4.2Å; D11-M13 HydrophobicContact CB-SD 4.4Å; D11-M13 PolarHBondContact O-N 3.08Å; M13-L76 HydrophobicContact CE-CD2 4.11Å; M13-L76 HydrophobicContact SD-CD2 4.42Å; M13-M143 HydrophobicContact CE-CB 4.33Å; M13-M143 HydrophobicContact CE-CG 4.2Å; M13-M143 HydrophobicContact CE-SD 4.29Å; M13-M143 HydrophobicContact CG-SD 4.03Å; M13-M143 HydrophobicContact SD-CB 4.49Å; M13-F160 HydrophobicContact CB-CD1 4.08Å; M13-F160 HydrophobicContact CB-CE1 3.98Å; M13-F160 HydrophobicContact CE-CD1 4.07Å; M13-F160 HydrophobicContact CE-CE1 3.72Å; M13-L165 HydrophobicContact CB-CD2 4.18Å; M13-L165 HydrophobicContact CG-CD2 3.96Å
14F98.5Very high97.3Very high0 Ų053.7 Ų53.70%027%0.274CS..EExtended strand (participates in β ladder)trans-162.3178.2174.264.2-83.4000111.3Y4 V20 Y29 V31 I70 H74 F160 L165Y4-F14 HydrophobicContact CD1-CE1 4.4Å; Y4-F14 AromaticContact CD1-CE2 3.75Å; Y4-F14 HydrophobicContact CD1-CE2 3.75Å; Y4-F14 AromaticContact CD1-CZ 3.55Å; Y4-F14 HydrophobicContact CD1-CZ 3.55Å; Y4-F14 AromaticContact CD2-CD2 3.52Å; Y4-F14 HydrophobicContact CD2-CD2 3.52Å; Y4-F14 AromaticContact CD2-CE2 3.2Å; Y4-F14 HydrophobicContact CD2-CE2 3.2Å; Y4-F14 HydrophobicContact CD2-CG 4.35Å; Y4-F14 AromaticContact CD2-CZ 3.83Å; Y4-F14 HydrophobicContact CD2-CZ 3.83Å; Y4-F14 HydrophobicContact CE1-CE2 4.07Å; Y4-F14 HydrophobicContact CE1-CZ 4.13Å; Y4-F14 HydrophobicContact CE2-CD2 4.1Å; Y4-F14 AromaticContact CE2-CE2 3.58Å; Y4-F14 HydrophobicContact CE2-CE2 3.58Å; Y4-F14 HydrophobicContact CE2-CZ 4.39Å; Y4-F14 AromaticContact CG-CD2 3.89Å; Y4-F14 HydrophobicContact CG-CD2 3.89Å; Y4-F14 HydrophobicContact CG-CE1 4.01Å; Y4-F14 AromaticContact CG-CE2 3.3Å; Y4-F14 HydrophobicContact CG-CE2 3.3Å; Y4-F14 HydrophobicContact CG-CG 4.45Å; Y4-F14 AromaticContact CG-CZ 3.37Å; Y4-F14 HydrophobicContact CG-CZ 3.37Å; Y4-F14 AromaticContact CZ-CE2 3.99Å; Y4-F14 PolarHBondContact N-O 3.26Å; F14-V20 HydrophobicContact CD2-CG2 3.92Å; F14-V20 HydrophobicContact CE2-CG1 3.92Å; F14-V20 HydrophobicContact CE2-CG2 3.73Å; F14-V20 HydrophobicContact CZ-CG1 4.45Å; F14-Y29 AromaticContact CZ-CD2 3.88Å; F14-Y29 HydrophobicContact CZ-CD2 3.88Å; F14-Y29 HydrophobicContact CZ-CG 4.14Å; F14-V31 HydrophobicContact CB-CG1 4.37Å; F14-V31 HydrophobicContact CB-CG2 4.49Å; F14-V31 HydrophobicContact CD1-CG2 4.03Å; F14-V31 HydrophobicContact CD2-CG1 4.35Å; F14-V31 HydrophobicContact CD2-CG2 3.7Å; F14-V31 HydrophobicContact CE1-CG2 4.13Å; F14-V31 HydrophobicContact CE2-CG2 3.81Å; F14-V31 HydrophobicContact CG-CG1 4.46Å; F14-V31 HydrophobicContact CG-CG2 3.82Å; F14-V31 HydrophobicContact CZ-CG2 4.02Å; F14-I70 HydrophobicContact CB-CG2 4.34Å; F14-H74 WeakPolarHBondContact CA-NE2 3.12Å; F14-F160 HydrophobicContact CB-CE2 4.33Å; F14-F160 HydrophobicContact CD1-CB 4.4Å; F14-F160 HydrophobicContact CD1-CD1 4.44Å; F14-F160 AromaticContact CD1-CD2 3.42Å; F14-F160 HydrophobicContact CD1-CD2 3.42Å; F14-F160 VanDerWaalsContact CD1-CD2 3.42Å; F14-F160 AromaticContact CD1-CE2 3.61Å; F14-F160 HydrophobicContact CD1-CE2 3.61Å; F14-F160 AromaticContact CD1-CG 3.86Å; F14-F160 HydrophobicContact CD1-CG 3.86Å; F14-F160 HydrophobicContact CD1-CZ 4.22Å; F14-F160 HydrophobicContact CE1-CB 3.84Å; F14-F160 AromaticContact CE1-CD2 3.57Å; F14-F160 HydrophobicContact CE1-CD2 3.57Å; F14-F160 HydrophobicContact CE1-CE2 4.25Å; F14-F160 AromaticContact CE1-CG 3.8Å; F14-F160 HydrophobicContact CE1-CG 3.8Å; F14-F160 HydrophobicContact CG-CD2 4.32Å; F14-F160 HydrophobicContact CG-CE2 4.21Å; F14-L165 HydrophobicContact CE1-CD1 3.54Å; F14-L165 HydrophobicContact CE1-CD2 4.38Å; F14-L165 HydrophobicContact CZ-CD1 3.83Å
15S97.7Very high97Very high5 Ų554 Ų544%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-130.6168.9175.261.80000112.5I2 T17 F18 H74I2-S15 CarbonylContact O-C 2.89Å; I2-S15 WeakPolarHBondContact O-CA 3.38Å; I2-S15 WeakPolarHBondContact O-CB 3.45Å; S15-T17 PolarHBondContact O-N 2.91Å; S15-T17 PolarHBondContact OG-OG1 2.79Å; S15-F18 PolarHBondContact O-N 2.99Å; S15-H74 PolarHBondContact N-NE2 2.86Å
16D96.3Very high96.8Very high68 Ų6853.9 Ų53.936%0.36429%0.285SS..THydrogen-bonded Turntrans-711.2173.166.2-18.2000114.6I2 Y4 F18I2-D16 HydrophobicContact CB-CB 3.86Å; I2-D16 WeakPolarHBondContact CB-OD2 3.42Å; I2-D16 HydrophobicContact CG1-CB 4.5Å; I2-D16 WeakPolarHBondContact CG1-OD2 3.43Å; I2-D16 PolarHBondContact N-OD1 2.91Å; I2-D16 PolarHBondContact N-OD2 2.91Å; I2-D16 VanDerWaalsContact N-OD2 3.11Å; I2-D16 PolarHBondContact O-N 3.18Å; Y4-D16 HydrophobicContact CE2-CB 4.36Å; D16-F18 PolarHBondContact O-N 3.24Å
17T96.1Very high96.8Very high95 Ų9553.9 Ų53.958%0.58329%0.285SS*.THydrogen-bonded Turntrans-71.7-19.3172.966.50000112.7M1 S15M1-T17 HydrophobicContact CG-CG2 4.42Å; M1-T17 HydrophobicContact SD-CG2 4.3Å; S15-T17 PolarHBondContact O-N 2.91Å; S15-T17 PolarHBondContact OG-OG1 2.79Å
18F97.3Very high96.8Very high25 Ų2552.4 Ų52.411%0.1128%0.277CS..SBendtrans-90.9165.1174.3-61.9-81.9000111.7S15 D16 V20 V31 D69 I70 N73 H74S15-F18 PolarHBondContact O-N 2.99Å; D16-F18 PolarHBondContact O-N 3.24Å; F18-V20 PolarHBondContact O-N 2.81Å; F18-V20 VanDerWaalsContact O-N 3.14Å; F18-V31 HydrophobicContact CB-CG1 3.47Å; F18-V31 VanDerWaalsContact CB-CG1 3.47Å; F18-V31 HydrophobicContact CD2-CG1 4.39Å; F18-V31 HydrophobicContact CG-CG1 3.94Å; F18-D69 HydrophobicContact CE1-CB 4.43Å; F18-I70 HydrophobicContact CD1-CD1 4.45Å; F18-I70 HydrophobicContact CD1-CG1 3.65Å; F18-I70 HydrophobicContact CD2-CG1 4.45Å; F18-I70 HydrophobicContact CE1-CB 4.3Å; F18-I70 HydrophobicContact CE1-CG1 3.45Å; F18-I70 VanDerWaalsContact CE1-CG1 3.45Å; F18-I70 HydrophobicContact CE2-CG1 4.28Å; F18-I70 HydrophobicContact CG-CG1 4.15Å; F18-I70 HydrophobicContact CZ-CB 4.2Å; F18-I70 HydrophobicContact CZ-CG1 3.79Å; F18-N73 HydrophobicContact CZ-CB 4.43Å; F18-H74 AromaticContact CE2-NE2 3.54Å
19K97.1Very high96.9Very high126 Ų12651.4 Ų51.455%0.54827%0.27SS..EExtended strand (participates in β ladder)trans-79.1100.5170.8179.2-175.4169.9-156.90109E32K19-E32 HydrophobicContact CB-CB 4.23Å; K19-E32 HydrophobicContact CD-CB 4.4Å; K19-E32 IonicContact NZ-OE1 2.78Å; K19-E32 PolarHBondContact NZ-OE1 3.15Å; K19-E32 VanDerWaalsContact NZ-OE1 3.17Å; K19-E32 IonicContact NZ-OE2 3.23Å; K19-E32 PolarHBondContact NZ-OE2 2.78Å; K19-E32 PolarHBondContact O-N 3.33Å
20V97.4Very high96.9Very high42 Ų4251.3 Ų51.326%0.25527%0.268SS..EExtended strand (participates in β ladder)trans-99.6131.9178.3-172.90000109.6F14 F18 Y29 E30 V31F14-V20 HydrophobicContact CD2-CG2 3.92Å; F14-V20 HydrophobicContact CE2-CG1 3.92Å; F14-V20 HydrophobicContact CE2-CG2 3.73Å; F14-V20 HydrophobicContact CZ-CG1 4.45Å; F18-V20 PolarHBondContact O-N 2.81Å; F18-V20 VanDerWaalsContact O-N 3.14Å; V20-Y29 HydrophobicContact CG1-CD1 3.72Å; V20-Y29 HydrophobicContact CG1-CG 3.97Å; V20-E30 WeakPolarHBondContact CA-O 3.47Å; V20-V31 HydrophobicContact CG1-CG2 4.36Å; V20-V31 HydrophobicContact CG2-CG1 4.35Å; V20-V31 HydrophobicContact CG2-CG2 4.23Å
21K97.3Very high97Very high102 Ų10246.4 Ų46.444%0.44324%0.242SC..EExtended strand (participates in β ladder)trans-134.2153.1167.167175.2-175.7-172.60110.8Y29 E30K21-Y29 CarbonylContact O-C 3.46Å; K21-Y29 WeakPolarHBondContact O-CA 3.49Å; K21-E30 VanDerWaalsContact CE-CD 3.44Å; K21-E30 WeakPolarHBondContact CE-OE1 3.29Å; K21-E30 HydrophobicContact CG-CB 4.1Å; K21-E30 PolarHBondContact N-O 3.05Å; K21-E30 IonicContact NZ-OE1 2.81Å; K21-E30 PolarHBondContact NZ-OE1 3.38Å; K21-E30 PolarHBondContact O-N 3.19Å
22E97.1Very high97Very high92 Ų9248 Ų4843%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-78.6140.9168-65.5-173.6-170.900109.6F28 Y29 K162E22-F28 WeakPolarHBondContact CA-O 3.32Å; E22-Y29 HydrophobicContact CG-CD1 3.64Å; E22-Y29 HydrophobicContact CG-CE1 3.39Å; E22-Y29 WeakPolarHBondContact OE1-CE1 3.47Å; E22-K162 HydrophobicContact CG-CD 4.44Å; E22-K162 VanDerWaalsContact OE1-CE 3.31Å; E22-K162 WeakPolarHBondContact OE1-CE 3.35Å; E22-K162 IonicContact OE1-NZ 3.17Å; E22-K162 PolarHBondContact OE1-NZ 3.38Å; E22-K162 IonicContact OE2-NZ 2.76Å; E22-K162 PolarHBondContact OE2-NZ 3.11Å
23T95.7Very high97Very high29 Ų2944.3 Ų44.318%0.17823%0.232CC..  trans-71.4157.3170.156.40000110.3S25 G26 F28 E30 L159T23-S25 PolarHBondContact O-N 2.94Å; T23-S25 PolarHBondContact OG1-OG 2.94Å; T23-G26 PolarHBondContact O-N 3.25Å; T23-F28 HydrophobicContact CG2-CB 3.83Å; T23-F28 HydrophobicContact CG2-CD2 4.49Å; T23-F28 PolarHBondContact N-O 3.3Å; T23-F28 PolarHBondContact OG1-N 3.04Å; T23-F28 PolarHBondContact OG1-O 2.81Å; T23-E30 HydrophobicContact CG2-CB 4.24Å; T23-L159 HydrophobicContact CG2-CD2 4.2Å
24D93.4Very high96.9Very high180 Ų18051.3 Ų51.396%0.96326%0.263SS*.THydrogen-bonded Turntrans-56.7-27.3179.7-61.8-21000113.4G26D24-G26 VanDerWaalsContact C-N 3.26Å; D24-G26 PolarHBondContact O-N 2.88Å
25S92.3Very high96.8Very high32 Ų3255.3 Ų55.322%0.22429%0.287CS..THydrogen-bonded Turntrans-72-15.1174.659.40000114.2T23 I27T23-S25 PolarHBondContact O-N 2.94Å; T23-S25 PolarHBondContact OG1-OG 2.94Å; S25-I27 PolarHBondContact O-N 2.79Å; S25-I27 VanDerWaalsContact O-N 3.16Å; S25-I27 PolarHBondContact OG-N 3.45Å
26G95Very high96.7Very high20 Ų2057 Ų5721%0.20630%0.297CS..SBendtrans69.2-0-172.300000115T23 D24T23-G26 PolarHBondContact O-N 3.25Å; D24-G26 VanDerWaalsContact C-N 3.26Å; D24-G26 PolarHBondContact O-N 2.88Å
27I97.9Very high96.4Very high0 Ų058.1 Ų58.10%031%0.307CS..SBendtrans-84-31.4-175-71-67.5000113S25 F112 E115 V116 E119 F161 K162S25-I27 PolarHBondContact O-N 2.79Å; S25-I27 VanDerWaalsContact O-N 3.16Å; S25-I27 PolarHBondContact OG-N 3.45Å; I27-F112 HydrophobicContact CD1-CD2 3.84Å; I27-F112 HydrophobicContact CD1-CE2 4.29Å; I27-E115 HydrophobicContact CD1-CB 3.63Å; I27-E115 HydrophobicContact CG1-CB 3.67Å; I27-V116 HydrophobicContact CD1-CB 4.09Å; I27-V116 HydrophobicContact CG2-CG2 4.41Å; I27-E119 HydrophobicContact CB-CG 4.18Å; I27-E119 HydrophobicContact CG1-CG 4.24Å; I27-E119 HydrophobicContact CG2-CB 4.38Å; I27-E119 HydrophobicContact CG2-CG 4.27Å; I27-F161 HydrophobicContact CG2-CD1 3.82Å; I27-F161 HydrophobicContact CG2-CE1 3.95Å; I27-K162 PolarHBondContact O-N 3.28Å
28F98.5Very high95.9Very high3 Ų357.6 Ų57.61%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-118.5147.9-177.3-56.4-76000112E22 T23 E119 I123 L159 F160 F161E22-F28 WeakPolarHBondContact CA-O 3.32Å; T23-F28 HydrophobicContact CG2-CB 3.83Å; T23-F28 HydrophobicContact CG2-CD2 4.49Å; T23-F28 PolarHBondContact N-O 3.3Å; T23-F28 PolarHBondContact OG1-N 3.04Å; T23-F28 PolarHBondContact OG1-O 2.81Å; F28-E119 HydrophobicContact CE2-CB 3.67Å; F28-E119 HydrophobicContact CE2-CG 3.84Å; F28-E119 HydrophobicContact CZ-CB 4.01Å; F28-I123 HydrophobicContact CE1-CD1 4.28Å; F28-I123 HydrophobicContact CZ-CD1 3.65Å; F28-L159 HydrophobicContact CB-CB 4.43Å; F28-L159 HydrophobicContact CB-CD2 4.29Å; F28-L159 HydrophobicContact CD1-CB 4.14Å; F28-L159 HydrophobicContact CG-CB 4.29Å; F28-F160 CarbonylContact C-O 3.56Å; F28-F160 VanDerWaalsContact CA-O 3.23Å; F28-F160 WeakPolarHBondContact CA-O 3.46Å; F28-F161 HydrophobicContact CD1-CD1 4.16Å; F28-F161 HydrophobicContact CD1-CD2 4.49Å; F28-F161 HydrophobicContact CD1-CE1 4.35Å; F28-F161 HydrophobicContact CD1-CG 4.23Å; F28-F161 AromaticContact CE1-CD1 3.59Å; F28-F161 HydrophobicContact CE1-CD1 3.59Å; F28-F161 AromaticContact CE1-CD2 3.96Å; F28-F161 HydrophobicContact CE1-CD2 3.96Å; F28-F161 AromaticContact CE1-CE1 3.37Å; F28-F161 HydrophobicContact CE1-CE1 3.37Å; F28-F161 AromaticContact CE1-CE2 3.76Å; F28-F161 HydrophobicContact CE1-CE2 3.76Å; F28-F161 AromaticContact CE1-CG 3.88Å; F28-F161 HydrophobicContact CE1-CG 3.88Å; F28-F161 AromaticContact CE1-CZ 3.45Å; F28-F161 HydrophobicContact CE1-CZ 3.45Å; F28-F161 VanDerWaalsContact CE1-CZ 3.45Å; F28-F161 HydrophobicContact CZ-CD1 4.26Å; F28-F161 AromaticContact CZ-CE1 3.68Å; F28-F161 HydrophobicContact CZ-CE1 3.68Å; F28-F161 AromaticContact CZ-CZ 3.84Å; F28-F161 HydrophobicContact CZ-CZ 3.84Å
29Y98.6Very high95.1Very high30 Ų3061 Ų6112%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-84.8133.4146-67.2-60.8000109Y4 F14 V20 K21 E22 L159 F160 K162 L165Y4-Y29 HydrophobicContact CD1-CE2 4.23Å; Y4-Y29 HydrophobicContact CE1-CE2 4.03Å; F14-Y29 AromaticContact CZ-CD2 3.88Å; F14-Y29 HydrophobicContact CZ-CD2 3.88Å; F14-Y29 HydrophobicContact CZ-CG 4.14Å; V20-Y29 HydrophobicContact CG1-CD1 3.72Å; V20-Y29 HydrophobicContact CG1-CG 3.97Å; K21-Y29 CarbonylContact O-C 3.46Å; K21-Y29 WeakPolarHBondContact O-CA 3.49Å; E22-Y29 HydrophobicContact CG-CD1 3.64Å; E22-Y29 HydrophobicContact CG-CE1 3.39Å; E22-Y29 WeakPolarHBondContact OE1-CE1 3.47Å; Y29-L159 WeakPolarHBondContact O-CA 3.28Å; Y29-F160 PolarHBondContact N-O 3.45Å; Y29-F160 PolarHBondContact O-N 3.45Å; Y29-K162 HydrophobicContact CD2-CB 4.01Å; Y29-K162 HydrophobicContact CD2-CG 4.25Å; Y29-K162 HydrophobicContact CE1-CD 4.24Å; Y29-K162 HydrophobicContact CE1-CG 4.41Å; Y29-K162 HydrophobicContact CE2-CB 3.88Å; Y29-K162 HydrophobicContact CE2-CD 4.3Å; Y29-K162 HydrophobicContact CE2-CG 3.6Å; Y29-L165 HydrophobicContact CD2-CD1 3.62Å; Y29-L165 HydrophobicContact CE2-CD1 4.09Å
30E98.4Very high93.6Very high20 Ų2060.8 Ų60.89%0.09332%0.318CS..EExtended strand (participates in β ladder)trans-103.2122.7167.4-170.5-178.190.800108.8V20 K21 T23 R150 Y157 M158 L159V20-E30 WeakPolarHBondContact CA-O 3.47Å; K21-E30 VanDerWaalsContact CE-CD 3.44Å; K21-E30 WeakPolarHBondContact CE-OE1 3.29Å; K21-E30 HydrophobicContact CG-CB 4.1Å; K21-E30 PolarHBondContact N-O 3.05Å; K21-E30 IonicContact NZ-OE1 2.81Å; K21-E30 PolarHBondContact NZ-OE1 3.38Å; K21-E30 PolarHBondContact O-N 3.19Å; T23-E30 HydrophobicContact CG2-CB 4.24Å; E30-R150 IonicContact OE1-CZ 2.82Å; E30-R150 IonicContact OE1-NH1 3.54Å; E30-R150 PolarHBondContact OE1-NH1 2.82Å; E30-R150 IonicContact OE1-NH2 2.71Å; E30-R150 PolarHBondContact OE1-NH2 3.21Å; E30-R150 IonicContact OE2-NH1 3.42Å; E30-R150 PolarHBondContact OE2-NH1 2.92Å; E30-R150 VanDerWaalsContact OE2-NH1 3.15Å; E30-Y157 HydrophobicContact CG-CD2 3.69Å; E30-Y157 HydrophobicContact CG-CG 4.17Å; E30-M158 WeakPolarHBondContact CA-O 3.25Å; E30-L159 HydrophobicContact CB-CD2 3.76Å; E30-L159 HydrophobicContact CG-CD2 3.72Å
31V98.6Very high91.6Very high0 Ų061.4 Ų61.40%033%0.333CS..EExtended strand (participates in β ladder)trans-115.7114.3-174.4-172.10000108.4F14 F18 V20 I70 Y157 M158 F160F14-V31 HydrophobicContact CB-CG1 4.37Å; F14-V31 HydrophobicContact CB-CG2 4.49Å; F14-V31 HydrophobicContact CD1-CG2 4.03Å; F14-V31 HydrophobicContact CD2-CG1 4.35Å; F14-V31 HydrophobicContact CD2-CG2 3.7Å; F14-V31 HydrophobicContact CE1-CG2 4.13Å; F14-V31 HydrophobicContact CE2-CG2 3.81Å; F14-V31 HydrophobicContact CG-CG1 4.46Å; F14-V31 HydrophobicContact CG-CG2 3.82Å; F14-V31 HydrophobicContact CZ-CG2 4.02Å; F18-V31 HydrophobicContact CB-CG1 3.47Å; F18-V31 VanDerWaalsContact CB-CG1 3.47Å; F18-V31 HydrophobicContact CD2-CG1 4.39Å; F18-V31 HydrophobicContact CG-CG1 3.94Å; V20-V31 HydrophobicContact CG1-CG2 4.36Å; V20-V31 HydrophobicContact CG2-CG1 4.35Å; V20-V31 HydrophobicContact CG2-CG2 4.23Å; V31-I70 HydrophobicContact CB-CD1 4.12Å; V31-I70 HydrophobicContact CG1-CD1 3.68Å; V31-I70 HydrophobicContact CG1-CG1 4.24Å; V31-I70 WeakPolarHBondContact O-CD1 3.21Å; V31-Y157 CarbonylContact O-C 3.59Å; V31-Y157 VanDerWaalsContact O-CA 3.23Å; V31-Y157 WeakPolarHBondContact O-CA 3.47Å; V31-M158 PolarHBondContact N-O 3.14Å; V31-M158 PolarHBondContact O-N 2.84Å; V31-F160 HydrophobicContact CB-CD2 4.4Å; V31-F160 HydrophobicContact CB-CE2 4.13Å; V31-F160 HydrophobicContact CG2-CD2 3.68Å; V31-F160 HydrophobicContact CG2-CE2 3.83Å
32E98.5Very high89.5Confident57 Ų5764.6 Ų64.627%0.26635%0.347SS..EExtended strand (participates in β ladder)trans-84.2128179.3-170.7176.3108.100110K19 R150 T155K19-E32 HydrophobicContact CB-CB 4.23Å; K19-E32 HydrophobicContact CD-CB 4.4Å; K19-E32 IonicContact NZ-OE1 2.78Å; K19-E32 PolarHBondContact NZ-OE1 3.15Å; K19-E32 VanDerWaalsContact NZ-OE1 3.17Å; K19-E32 IonicContact NZ-OE2 3.23Å; K19-E32 PolarHBondContact NZ-OE2 2.78Å; K19-E32 PolarHBondContact O-N 3.33Å; E32-R150 IonicContact OE2-NH2 3.67Å; E32-T155 HydrophobicContact CG-CG2 3.85Å
33G97.3Very high87.4Confident5 Ų565.3 Ų65.35%0.05235%0.354CS..  trans-119.1-168.3-18000000112.1D69 P156G33-D69 WeakPolarHBondContact CA-OD1 3.23Å; G33-P156 PolarHBondContact N-O 2.96Å; G33-P156 WeakPolarHBondContact O-CD 3.41Å
34K97.1Very high85.2Confident147 Ų14768.9 Ų68.964%0.63937%0.372SS*.  trans-140.6145.3174.7-61.1176.8-173.7172.50110.3V36 V68 D69K34-V36 HydrophobicContact CB-CG1 4.37Å; K34-V36 PolarHBondContact O-N 2.71Å; K34-V68 WeakPolarHBondContact O-CA 3.38Å; K34-D69 VanDerWaalsContact N-CG 3.31Å; K34-D69 PolarHBondContact N-OD1 3.47Å; K34-D69 PolarHBondContact N-OD2 2.88Å; K34-D69 PolarHBondContact O-N 2.82Å
35T96Very high83.3Confident83 Ų8363.3 Ų63.351%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-74126167-54.20000109.2
36V94.6Very high81.4Confident42 Ų4268.6 Ų68.626%0.25538%0.376SS..EExtended strand (participates in β ladder)trans-131.2154.7-179.3-60.10000110.7K34 S66 G67 D69 L72K34-V36 HydrophobicContact CB-CG1 4.37Å; K34-V36 PolarHBondContact O-N 2.71Å; V36-S66 CarbonylContact O-C 3.56Å; V36-S66 VanDerWaalsContact O-CA 3.28Å; V36-S66 WeakPolarHBondContact O-CA 3.25Å; V36-G67 PolarHBondContact N-O 3.16Å; V36-G67 PolarHBondContact O-N 2.74Å; V36-D69 HydrophobicContact CG1-CB 4.14Å; V36-D69 HydrophobicContact CG2-CB 3.99Å; V36-L72 HydrophobicContact CG2-CD1 3.66Å
37T91.3Very high79.4Confident91 Ų9173 Ų7356%0.55839%0.393SS*.EExtended strand (participates in β ladder)trans-118.7127.5171.6-61.20000108.1T64 V65 S66T37-T64 HydrophobicContact CG2-CG2 3.24Å; T37-V65 CarbonylContact C-O 3.58Å; T37-V65 WeakPolarHBondContact CA-O 2.65Å; T37-S66 WeakPolarHBondContact CB-OG 3.43Å; T37-S66 VanDerWaalsContact CG2-OG 3.32Å; T37-S66 WeakPolarHBondContact CG2-OG 3.19Å; T37-S66 PolarHBondContact OG1-OG 3.41Å
38R85.5Confident77.2Confident84 Ų8477.3 Ų77.332%0.31742%0.424SS..EExtended strand (participates in β ladder)trans-117.5134178.3-60.7178.8-174.11781.7108.4T64 V65 N73R38-T64 CarbonylContact O-C 3.55Å; R38-T64 WeakPolarHBondContact O-CA 3.25Å; R38-V65 PolarHBondContact N-O 3.48Å; R38-V65 PolarHBondContact O-N 2.88Å; R38-N73 VanDerWaalsContact CZ-OD1 3.31Å; R38-N73 PolarHBondContact NH1-OD1 2.78Å; R38-N73 VanDerWaalsContact NH1-OD1 3.11Å; R38-N73 PolarHBondContact NH2-OD1 2.93Å
39T79.5Confident75Confident97 Ų9781.8 Ų81.860%0.59546%0.461SS*.EExtended strand (participates in β ladder)trans-94.2109.2168.6-54.20000107.1
40E65.6Low72.7Confident121 Ų12187.7 Ų87.757%0.56549%0.494SS*.EExtended strand (participates in β ladder)trans-87.5114.6169.9-63.6-168.716400108.2S62 A63 V65E40-S62 CarbonylContact O-C 3.59Å; E40-A63 WeakPolarHBondContact CA-O 3.48Å; E40-A63 WeakPolarHBondContact CB-O 3.18Å; E40-A63 PolarHBondContact N-O 3.2Å; E40-A63 PolarHBondContact O-N 3.15Å; E40-V65 HydrophobicContact CG-CG2 4.41Å
41G56Low70.6Confident55 Ų5591.4 Ų91.457%0.56753%0.529SS*.SBendtrans178144.4-179.100000110.1D43G41-D43 PolarHBondContact O-N 3.18Å
42F53.3Low68.6Low169 Ų16996.8 Ų96.874%0.74157%0.567SS**  trans-65.8129.6166.7-84-97000107.9D44F42-D44 PolarHBondContact O-N 2.85Å
43D51.7Low65.9Low107 Ų10798.7 Ų98.757%0.57259%0.592SS**  trans-69.1102.4169.1-164.8-7.2000107.1G41 A45 L46G41-D43 PolarHBondContact O-N 3.18Å; D43-A45 PolarHBondContact O-N 2.97Å; D43-A45 VanDerWaalsContact OD1-CB 3.28Å; D43-A45 WeakPolarHBondContact OD1-CB 3.49Å; D43-A45 PolarHBondContact OD1-N 3.41Å; D43-L46 HydrophobicContact CB-CD1 4.23Å; D43-L46 HydrophobicContact CB-CG 4.44Å; D43-L46 WeakPolarHBondContact O-CB 3.26Å; D43-L46 PolarHBondContact O-N 3.19Å
44D50.3Low63.6Low104 Ų104108 Ų10856%0.55663%0.634SS**G310 helixtrans-51.9-22.9177.9-83-22.6000111.8F42 L46 I47 S48F42-D44 PolarHBondContact O-N 2.85Å; D44-L46 PolarHBondContact O-N 3.12Å; D44-I47 PolarHBondContact O-N 3.34Å; D44-I47 VanDerWaalsContact O-N 3.12Å; D44-S48 PolarHBondContact O-N 3.39Å
45A53.9Low60.9Low62 Ų62109.9 Ų109.951%0.51265%0.645SS.*G310 helixtrans-57.5-31.417300000113.2D43 S48D43-A45 PolarHBondContact O-N 2.97Å; D43-A45 VanDerWaalsContact OD1-CB 3.28Å; D43-A45 WeakPolarHBondContact OD1-CB 3.49Å; D43-A45 PolarHBondContact OD1-N 3.41Å; A45-S48 PolarHBondContact O-OG 2.91Å
46L51.2Low58.5Low144 Ų144112.8 Ų112.875%0.75466%0.663SS**G310 helixtrans-77.1-18.1178.8-70.5168.4000113.6D43 D44D43-L46 HydrophobicContact CB-CD1 4.23Å; D43-L46 HydrophobicContact CB-CG 4.44Å; D43-L46 WeakPolarHBondContact O-CB 3.26Å; D43-L46 PolarHBondContact O-N 3.19Å; D44-L46 PolarHBondContact O-N 3.12Å
47I52.7Low55.9Low112 Ų112116.1 Ų116.157%0.57469%0.686SS**THydrogen-bonded Turntrans-89.1-17.1178.2-57.7176.4000111.1D44 A49D44-I47 PolarHBondContact O-N 3.34Å; D44-I47 VanDerWaalsContact O-N 3.12Å; I47-A49 PolarHBondContact O-N 3.32Å
48S51.7Low53.8Low91 Ų91120.4 Ų120.464%0.63670%0.7SS**THydrogen-bonded Turntrans-69.71.1-176.272.90000116D44 A45 N50D44-S48 PolarHBondContact O-N 3.39Å; A45-S48 PolarHBondContact O-OG 2.91Å; S48-N50 VanDerWaalsContact C-N 3.29Å; S48-N50 PolarHBondContact O-N 3.09Å
49A52.6Low52Low97 Ų97119.5 Ų119.580%0.80272%0.717SS**THydrogen-bonded Turntrans-79.7-1.6178.400000114.7I47I47-A49 PolarHBondContact O-N 3.32Å
50N50.8Low50.5Low153 Ų153121 Ų12182%0.81872%0.721SS**SBendtrans-133.369.8175.1-148.812.7000112S48 S52S48-N50 VanDerWaalsContact C-N 3.29Å; S48-N50 PolarHBondContact O-N 3.09Å; N50-S52 PolarHBondContact O-N 3.37Å; N50-S52 VanDerWaalsContact O-N 3.1Å
51A53.6Low49.9Very low98 Ų98124 Ų12481%0.8174%0.735SS**  trans-68.597.5172.300000111.1
52S57.6Low50.1Low114 Ų114124.9 Ų124.980%0.79773%0.733SS**  trans-177.189.6147.2179.60000111N50N50-S52 PolarHBondContact O-N 3.37Å; N50-S52 VanDerWaalsContact O-N 3.1Å
53A42Very low50.9Low97 Ų97119.2 Ų119.280%0.80272%0.717SS**  trans172.9136.9134.200000109.3E55A53-E55 PolarHBondContact O-N 2.88Å; A53-E55 VanDerWaalsContact O-N 3.14Å
54E47.7Very low52.1Low200 Ų200118 Ų11894%0.93571%0.713SS**  trans-64.2102.6177.7-57.2-176.9122.400110.9
55E41.8Very low53.7Low187 Ų187115.4 Ų115.487%0.87470%0.701SS**  trans-142.6125.5152.2-101.9-178.3143.100107.9A53 C57A53-E55 PolarHBondContact O-N 2.88Å; A53-E55 VanDerWaalsContact O-N 3.14Å; E55-C57 PolarHBondContact O-N 3.04Å
56V44.9Very low55.5Low144 Ų144116 Ų11687%0.87370%0.702SS**  trans-61.2101.1174.1177.80000106.7E58V56-E58 PolarHBondContact O-N 2.87Å; V56-E58 VanDerWaalsContact O-N 3.16Å
57C41.3Very low57.5Low112 Ų112110.1 Ų110.176%0.75768%0.676SS**  trans-70109.7172.1-1610000106.8E55 G59E55-C57 PolarHBondContact O-N 3.04Å; C57-G59 PolarHBondContact O-N 2.84Å; C57-G59 VanDerWaalsContact O-N 3.08Å
58E47Very low59.6Low181 Ų181105.1 Ų105.185%0.84665%0.651SS**  trans-52.7116.1166.4-75.8-175.5111.700107.4V56 N60V56-E58 PolarHBondContact O-N 2.87Å; V56-E58 VanDerWaalsContact O-N 3.16Å; E58-N60 PolarHBondContact O-N 3.14Å; E58-N60 VanDerWaalsContact O-N 3.11Å
59G46.4Very low61.8Low65 Ų65101.9 Ų101.967%0.6763%0.626SS**  trans-51.8119.4-173.700000110.7C57 E61C57-G59 PolarHBondContact O-N 2.84Å; C57-G59 VanDerWaalsContact O-N 3.08Å; G59-E61 PolarHBondContact O-N 3.4Å; G59-E61 VanDerWaalsContact O-N 3.08Å
60N49.7Very low64Low127 Ų12797.3 Ų97.368%0.67959%0.588SS**  trans-69106.9173.5-144.22.5000106.4E58 S62E58-N60 PolarHBondContact O-N 3.14Å; E58-N60 VanDerWaalsContact O-N 3.11Å; N60-S62 PolarHBondContact O-N 3.46Å
61E52Low66.2Low185 Ų18590.9 Ų90.986%0.86455%0.554SS**  trans-59.3112179.1-73.6-175.6156.200108.9G59 A63G59-E61 PolarHBondContact O-N 3.4Å; G59-E61 VanDerWaalsContact O-N 3.08Å; E61-A63 PolarHBondContact O-N 3.13Å
62S59.5Low68.2Low73 Ų7388.1 Ų88.151%0.5153%0.526SS..  trans-59.6112.2173.963.50000109.1E40 N60 T64E40-S62 CarbonylContact O-C 3.59Å; N60-S62 PolarHBondContact O-N 3.46Å; S62-T64 PolarHBondContact O-N 3.01Å
63A70.1Confident70Confident51 Ų5186.4 Ų86.442%0.42151%0.508SS..EExtended strand (participates in β ladder)trans-79.3108.6179.200000108.7E40 E61E40-A63 WeakPolarHBondContact CA-O 3.48Å; E40-A63 WeakPolarHBondContact CB-O 3.18Å; E40-A63 PolarHBondContact N-O 3.2Å; E40-A63 PolarHBondContact O-N 3.15Å; E61-A63 PolarHBondContact O-N 3.13Å
64T77.7Confident72.7Confident80 Ų8082.6 Ų82.649%0.49147%0.473SS..EExtended strand (participates in β ladder)trans-87.4118.9173.8-61.50000109.5T37 R38 S62T37-T64 HydrophobicContact CG2-CG2 3.24Å; R38-T64 CarbonylContact O-C 3.55Å; R38-T64 WeakPolarHBondContact O-CA 3.25Å; S62-T64 PolarHBondContact O-N 3.01Å
65V84.2Confident75Confident50 Ų5078.5 Ų78.530%0.30345%0.452SS..EExtended strand (participates in β ladder)trans-107.6123.3178.5-176.30000109.2T37 R38 E40 L72T37-V65 CarbonylContact C-O 3.58Å; T37-V65 WeakPolarHBondContact CA-O 2.65Å; R38-V65 PolarHBondContact N-O 3.48Å; R38-V65 PolarHBondContact O-N 2.88Å; E40-V65 HydrophobicContact CG-CG2 4.41Å; V65-L72 HydrophobicContact CG1-CD2 3.74Å
66S90.9Very high77.7Confident76 Ų7670 Ų7053%0.53141%0.413SS..EExtended strand (participates in β ladder)trans-115140174.2-60.10000110.8V36 T37V36-S66 CarbonylContact O-C 3.56Å; V36-S66 VanDerWaalsContact O-CA 3.28Å; V36-S66 WeakPolarHBondContact O-CA 3.25Å; T37-S66 WeakPolarHBondContact CB-OG 3.43Å; T37-S66 VanDerWaalsContact CG2-OG 3.32Å; T37-S66 WeakPolarHBondContact CG2-OG 3.19Å; T37-S66 PolarHBondContact OG1-OG 3.41Å
67G93.4Very high80.2Confident20 Ų2066.6 Ų66.621%0.20639%0.388CS..EExtended strand (participates in β ladder)trans175.9-179.4-179.900000113.1V36V36-G67 PolarHBondContact N-O 3.16Å; V36-G67 PolarHBondContact O-N 2.74Å
68V97.5Very high82.9Confident7 Ų767.3 Ų67.34%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-70.9129.4173.2179.10000109K34 I70 V71 L72 L147 P156K34-V68 WeakPolarHBondContact O-CA 3.38Å; V68-I70 VanDerWaalsContact C-N 3.28Å; V68-I70 HydrophobicContact CG1-CB 4.22Å; V68-I70 HydrophobicContact CG1-CD1 4.4Å; V68-I70 HydrophobicContact CG1-CG1 4.37Å; V68-I70 PolarHBondContact O-N 2.92Å; V68-V71 HydrophobicContact CB-CB 4.43Å; V68-V71 HydrophobicContact CB-CG2 4.17Å; V68-V71 WeakPolarHBondContact O-CB 3.42Å; V68-V71 PolarHBondContact O-N 2.73Å; V68-L72 WeakPolarHBondContact O-CG 3.39Å; V68-L72 PolarHBondContact O-N 3.23Å; V68-L147 HydrophobicContact CG2-CD1 4.07Å; V68-L147 HydrophobicContact CG2-CD2 3.85Å; V68-P156 HydrophobicContact CG1-CB 3.98Å; V68-P156 HydrophobicContact CG1-CG 3.85Å; V68-P156 HydrophobicContact CG2-CB 3.71Å; V68-P156 HydrophobicContact CG2-CG 3.94Å
69D97.3Very high85.2Confident23 Ų2361 Ų6112%0.12335%0.354CS..Hα-helixtrans-56.1-36.1-177.559.2-6000114.2F18 G33 K34 V36 L72 N73F18-D69 HydrophobicContact CE1-CB 4.43Å; G33-D69 WeakPolarHBondContact CA-OD1 3.23Å; K34-D69 VanDerWaalsContact N-CG 3.31Å; K34-D69 PolarHBondContact N-OD1 3.47Å; K34-D69 PolarHBondContact N-OD2 2.88Å; K34-D69 PolarHBondContact O-N 2.82Å; V36-D69 HydrophobicContact CG1-CB 4.14Å; V36-D69 HydrophobicContact CG2-CB 3.99Å; D69-L72 PolarHBondContact O-N 2.95Å; D69-N73 WeakPolarHBondContact O-CB 3.33Å; D69-N73 PolarHBondContact O-N 3.46Å; D69-N73 PolarHBondContact O-ND2 2.85Å
70I98.1Very high87.5Confident0 Ų060.7 Ų60.70%035%0.351CS..Hα-helixtrans-56.7-51.1172.2-56164.2000110.2F14 F18 V31 V68 N73 H74 L76 M158 F160F14-I70 HydrophobicContact CB-CG2 4.34Å; F18-I70 HydrophobicContact CD1-CD1 4.45Å; F18-I70 HydrophobicContact CD1-CG1 3.65Å; F18-I70 HydrophobicContact CD2-CG1 4.45Å; F18-I70 HydrophobicContact CE1-CB 4.3Å; F18-I70 HydrophobicContact CE1-CG1 3.45Å; F18-I70 VanDerWaalsContact CE1-CG1 3.45Å; F18-I70 HydrophobicContact CE2-CG1 4.28Å; F18-I70 HydrophobicContact CG-CG1 4.15Å; F18-I70 HydrophobicContact CZ-CB 4.2Å; F18-I70 HydrophobicContact CZ-CG1 3.79Å; V31-I70 HydrophobicContact CB-CD1 4.12Å; V31-I70 HydrophobicContact CG1-CD1 3.68Å; V31-I70 HydrophobicContact CG1-CG1 4.24Å; V31-I70 WeakPolarHBondContact O-CD1 3.21Å; V68-I70 VanDerWaalsContact C-N 3.28Å; V68-I70 HydrophobicContact CG1-CB 4.22Å; V68-I70 HydrophobicContact CG1-CD1 4.4Å; V68-I70 HydrophobicContact CG1-CG1 4.37Å; V68-I70 PolarHBondContact O-N 2.92Å; I70-N73 PolarHBondContact O-N 2.82Å; I70-H74 PolarHBondContact O-CD2 3.01Å; I70-H74 PolarHBondContact O-N 3.17Å; I70-H74 VanDerWaalsContact O-N 3.15Å; I70-L76 HydrophobicContact CG2-CD1 4.36Å; I70-M158 HydrophobicContact CB-SD 4.1Å; I70-M158 HydrophobicContact CD1-CB 4.46Å; I70-M158 HydrophobicContact CD1-CG 4.21Å; I70-M158 HydrophobicContact CD1-SD 4.47Å; I70-M158 HydrophobicContact CG2-SD 3.8Å; I70-F160 HydrophobicContact CG2-CZ 4.37Å
71V97.9Very high89.6Confident18 Ų1857 Ų5711%0.10933%0.329CS..Hα-helixtrans-61.7-47-179.9172.10000110.5V68 K75 L76 F133 M158V68-V71 HydrophobicContact CB-CB 4.43Å; V68-V71 HydrophobicContact CB-CG2 4.17Å; V68-V71 WeakPolarHBondContact O-CB 3.42Å; V68-V71 PolarHBondContact O-N 2.73Å; V71-K75 CarbonylContact O-C 3.5Å; V71-K75 VanDerWaalsContact O-CA 3.28Å; V71-K75 WeakPolarHBondContact O-CA 3.23Å; V71-K75 PolarHBondContact O-N 2.86Å; V71-L76 HydrophobicContact CB-CB 4.45Å; V71-L76 HydrophobicContact CG1-CB 4.17Å; V71-L76 HydrophobicContact CG2-CB 4.48Å; V71-L76 HydrophobicContact CG2-CD1 4.38Å; V71-L76 PolarHBondContact O-N 2.98Å; V71-F133 HydrophobicContact CB-CE1 4.36Å; V71-F133 HydrophobicContact CG1-CD1 3.88Å; V71-F133 HydrophobicContact CG1-CE1 3.61Å; V71-F133 HydrophobicContact CG1-CZ 4.47Å; V71-F133 HydrophobicContact CG2-CD1 3.86Å; V71-F133 HydrophobicContact CG2-CD2 4.41Å; V71-F133 HydrophobicContact CG2-CE1 3.76Å; V71-F133 HydrophobicContact CG2-CE2 4.33Å; V71-F133 HydrophobicContact CG2-CG 4.2Å; V71-F133 HydrophobicContact CG2-CZ 4.01Å; V71-M158 HydrophobicContact CG2-CE 4.33Å; V71-M158 HydrophobicContact CG2-SD 3.86Å
72L96.2Very high91.7Very high40 Ų4052 Ų5221%0.20931%0.308CS..Hα-helixtrans-68.9-38.9-177.7-61.9177.7000112.7V36 V65 V68 D69V36-L72 HydrophobicContact CG2-CD1 3.66Å; V65-L72 HydrophobicContact CG1-CD2 3.74Å; V68-L72 WeakPolarHBondContact O-CG 3.39Å; V68-L72 PolarHBondContact O-N 3.23Å; D69-L72 PolarHBondContact O-N 2.95Å
73N95.5Very high93.4Very high78 Ų7854.2 Ų54.242%0.41731%0.308SS..Hα-helixtrans-70.1-36.9-178.6-75.9-7.6000112.7F18 R38 D69 I70F18-N73 HydrophobicContact CZ-CB 4.43Å; R38-N73 VanDerWaalsContact CZ-OD1 3.31Å; R38-N73 PolarHBondContact NH1-OD1 2.78Å; R38-N73 VanDerWaalsContact NH1-OD1 3.11Å; R38-N73 PolarHBondContact NH2-OD1 2.93Å; D69-N73 WeakPolarHBondContact O-CB 3.33Å; D69-N73 PolarHBondContact O-N 3.46Å; D69-N73 PolarHBondContact O-ND2 2.85Å; I70-N73 PolarHBondContact O-N 2.82Å
74H96.9Very high94.7Very high17 Ų1760.1 Ų60.18%0.07932%0.324CS..THydrogen-bonded Turntrans-102.18.1-177.9-63.2-72.8000112.7F14 S15 F18 I70 L76F14-H74 WeakPolarHBondContact CA-NE2 3.12Å; S15-H74 PolarHBondContact N-NE2 2.86Å; F18-H74 AromaticContact CE2-NE2 3.54Å; I70-H74 PolarHBondContact O-CD2 3.01Å; I70-H74 PolarHBondContact O-N 3.17Å; I70-H74 VanDerWaalsContact O-N 3.15Å; H74-L76 HydrophobicContact CB-CD2 3.87Å; H74-L76 HydrophobicContact CB-CG 4.01Å; H74-L76 PolarHBondContact O-N 3.45Å; H74-L76 VanDerWaalsContact O-N 3.14Å
75K96.6Very high95.6Very high114 Ų11461.2 Ų61.250%0.49632%0.324SS..THydrogen-bonded Turntrans47.941-179.5-56.2169.3175.8173.20112.6V71 Q77 E136V71-K75 CarbonylContact O-C 3.5Å; V71-K75 VanDerWaalsContact O-CA 3.28Å; V71-K75 WeakPolarHBondContact O-CA 3.23Å; V71-K75 PolarHBondContact O-N 2.86Å; K75-Q77 PolarHBondContact O-NE2 3.37Å; K75-E136 HydrophobicContact CB-CB 4.4Å; K75-E136 HydrophobicContact CB-CG 4.19Å; K75-E136 VanDerWaalsContact CD-CD 3.44Å; K75-E136 HydrophobicContact CD-CG 4.24Å; K75-E136 WeakPolarHBondContact CD-OE1 3.38Å; K75-E136 IonicContact NZ-OE1 2.79Å; K75-E136 PolarHBondContact NZ-OE1 3.29Å; K75-E136 IonicContact NZ-OE2 2.71Å
76L98.3Very high96.3Very high8 Ų858.8 Ų58.84%0.04231%0.309CS..  trans-65.6142.6179.7-53.2-177.5000109.8M13 I70 V71 H74 F133 T134 M158 F160M13-L76 HydrophobicContact CE-CD2 4.11Å; M13-L76 HydrophobicContact SD-CD2 4.42Å; I70-L76 HydrophobicContact CG2-CD1 4.36Å; V71-L76 HydrophobicContact CB-CB 4.45Å; V71-L76 HydrophobicContact CG1-CB 4.17Å; V71-L76 HydrophobicContact CG2-CB 4.48Å; V71-L76 HydrophobicContact CG2-CD1 4.38Å; V71-L76 PolarHBondContact O-N 2.98Å; H74-L76 HydrophobicContact CB-CD2 3.87Å; H74-L76 HydrophobicContact CB-CG 4.01Å; H74-L76 PolarHBondContact O-N 3.45Å; H74-L76 VanDerWaalsContact O-N 3.14Å; L76-F133 HydrophobicContact CB-CB 4.06Å; L76-F133 HydrophobicContact CB-CD1 4.13Å; L76-F133 HydrophobicContact CB-CG 4.46Å; L76-F133 HydrophobicContact CD1-CB 4.46Å; L76-T134 CarbonylContact C-O 3.5Å; L76-T134 WeakPolarHBondContact CA-O 3.19Å; L76-T134 WeakPolarHBondContact CB-O 3.18Å; L76-M158 HydrophobicContact CD1-CE 3.87Å; L76-M158 HydrophobicContact CD1-SD 4.03Å; L76-F160 HydrophobicContact CD1-CE1 4.43Å; L76-F160 HydrophobicContact CD1-CZ 4.22Å
77Q98.2Very high96.6Very high74 Ų7460.9 Ų60.935%0.34631%0.312SS..EExtended strand (participates in β ladder)trans-107.3118.8-172.1-59.6-61.8-50.100110.1K75 F133 T134 M138K75-Q77 PolarHBondContact O-NE2 3.37Å; Q77-F133 CarbonylContact O-C 3.58Å; Q77-F133 WeakPolarHBondContact O-CA 3.47Å; Q77-T134 PolarHBondContact N-O 2.86Å; Q77-T134 PolarHBondContact O-N 2.92Å; Q77-T134 PolarHBondContact O-OG1 2.95Å; Q77-M138 HydrophobicContact CB-CE 4.13Å; Q77-M138 HydrophobicContact CB-CG 3.6Å; Q77-M138 HydrophobicContact CB-SD 4.04Å; Q77-M138 HydrophobicContact CG-CG 3.54Å; Q77-M138 HydrophobicContact CG-SD 4.07Å
78E97.6Very high96.8Very high127 Ų12762.8 Ų62.859%0.59333%0.326SS*.EExtended strand (participates in β ladder)trans-62.4138.7178.2-166.9176.9177.600110.6F132 F133E78-F132 CarbonylContact C-O 3.52Å; E78-F132 WeakPolarHBondContact CA-O 3.5Å; E78-F133 HydrophobicContact CB-CD1 4.09Å; E78-F133 HydrophobicContact CB-CE1 3.64Å; E78-F133 HydrophobicContact CB-CZ 4.17Å; E78-F133 HydrophobicContact CG-CE1 4.05Å; E78-F133 HydrophobicContact CG-CZ 4.05Å
79T96.3Very high96.9Very high49 Ų4963.5 Ų63.530%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-140.6164.1176.2-164.80000110.9F81 F132 T134T79-F81 HydrophobicContact CG2-CD2 4.14Å; T79-F81 HydrophobicContact CG2-CE2 3.68Å; T79-F132 HydrophobicContact CG2-CB 3.79Å; T79-F132 PolarHBondContact N-O 2.94Å; T79-T134 HydrophobicContact CG2-CG2 4.06Å
80G94.1Very high96.9Very high58 Ų5862.6 Ų62.660%0.59832%0.323SS*.  trans-114135-178.100000111.8
81F94.4Very high96.9Very high50 Ų5069.6 Ų69.622%0.21935%0.353CS..  trans-128.1131.9169.5-74.3-79.1000111.5T79 Q85 Y86 Y89 F132 V144T79-F81 HydrophobicContact CG2-CD2 4.14Å; T79-F81 HydrophobicContact CG2-CE2 3.68Å; F81-Q85 HydrophobicContact CD1-CB 3.8Å; F81-Y86 HydrophobicContact CB-CD2 4.26Å; F81-Y86 HydrophobicContact CD1-CD2 4.38Å; F81-Y86 HydrophobicContact CD2-CD2 4.01Å; F81-Y86 HydrophobicContact CE2-CD2 4.44Å; F81-Y86 AromaticContact CG-CD2 3.97Å; F81-Y86 HydrophobicContact CG-CD2 3.97Å; F81-Y89 HydrophobicContact CE1-CD1 4.42Å; F81-Y89 HydrophobicContact CE1-CG 4.04Å; F81-Y89 HydrophobicContact CZ-CD1 4.13Å; F81-Y89 HydrophobicContact CZ-CD2 4.34Å; F81-Y89 AromaticContact CZ-CG 3.92Å; F81-Y89 HydrophobicContact CZ-CG 3.92Å; F81-F132 HydrophobicContact CB-CD2 4.26Å; F81-F132 HydrophobicContact CB-CE2 4.22Å; F81-F132 HydrophobicContact CB-CZ 4.47Å; F81-F132 HydrophobicContact CD2-CB 3.85Å; F81-F132 AromaticContact CD2-CD1 3.8Å; F81-F132 HydrophobicContact CD2-CD1 3.8Å; F81-F132 HydrophobicContact CD2-CD2 4.1Å; F81-F132 HydrophobicContact CD2-CE1 4.44Å; F81-F132 AromaticContact CD2-CG 3.63Å; F81-F132 HydrophobicContact CD2-CG 3.63Å; F81-F132 HydrophobicContact CE2-CB 4.25Å; F81-F132 HydrophobicContact CE2-CD1 4.45Å; F81-F132 HydrophobicContact CE2-CG 4.4Å; F81-V144 HydrophobicContact CE2-CG1 4.09Å; F81-V144 HydrophobicContact CE2-CG2 3.84Å; F81-V144 HydrophobicContact CZ-CG2 4.12Å
82D94.9Very high97Very high80 Ų8073.6 Ų73.643%0.42837%0.371SS..  trans-79.2168.5153.181.334.6000111.1K84 Q85 Y86D82-K84 VanDerWaalsContact C-N 3.27Å; D82-K84 PolarHBondContact O-N 2.93Å; D82-K84 WeakPolarHBondContact OD1-CA 3.19Å; D82-K84 WeakPolarHBondContact OD1-CB 3.32Å; D82-K84 PolarHBondContact OD1-N 3.36Å; D82-Q85 PolarHBondContact O-N 3.46Å; D82-Q85 WeakPolarHBondContact OD1-CG 3.15Å; D82-Q85 PolarHBondContact OD1-N 2.66Å; D82-Y86 PolarHBondContact O-N 2.92Å
83K96.1Very high97.1Very high118 Ų11871.8 Ų71.851%0.51336%0.361SS..Hα-helixtrans-58.9-35.2-178.3-170.4171.5-178.2157.20113.8M87 L124 I127K83-M87 VanDerWaalsContact O-CB 3.26Å; K83-M87 WeakPolarHBondContact O-CB 3.46Å; K83-M87 PolarHBondContact O-N 2.79Å; K83-M87 VanDerWaalsContact O-N 3.12Å; K83-L124 VanDerWaalsContact CE-O 3.27Å; K83-L124 WeakPolarHBondContact CE-O 3.45Å; K83-L124 HydrophobicContact CG-CD2 3.93Å; K83-L124 PolarHBondContact NZ-O 3.39Å; K83-I127 HydrophobicContact CB-CD1 4.22Å; K83-I127 HydrophobicContact CB-CG2 4.46Å
84K96.8Very high97.2Very high176 Ų17668.8 Ų68.877%0.76535%0.346SS*.Hα-helixtrans-75.3-43.6179.8-66.2-178.6178.71780110.7D82 M87 A88D82-K84 VanDerWaalsContact C-N 3.27Å; D82-K84 PolarHBondContact O-N 2.93Å; D82-K84 WeakPolarHBondContact OD1-CA 3.19Å; D82-K84 WeakPolarHBondContact OD1-CB 3.32Å; D82-K84 PolarHBondContact OD1-N 3.36Å; K84-M87 PolarHBondContact O-N 2.75Å; K84-A88 PolarHBondContact O-N 3.32Å
85Q97.4Very high97.3Very high102 Ų10274.3 Ų74.348%0.47737%0.369SS..Hα-helixtrans-61.4-47.7176.9-66.4171.9-45.700110.5F81 D82 M87 A88 Y89F81-Q85 HydrophobicContact CD1-CB 3.8Å; D82-Q85 PolarHBondContact O-N 3.46Å; D82-Q85 WeakPolarHBondContact OD1-CG 3.15Å; D82-Q85 PolarHBondContact OD1-N 2.66Å; Q85-M87 VanDerWaalsContact C-N 3.32Å; Q85-M87 PolarHBondContact O-N 2.6Å; Q85-A88 PolarHBondContact O-N 3.11Å; Q85-Y89 WeakPolarHBondContact O-CB 3.19Å; Q85-Y89 PolarHBondContact O-N 3.47Å
86Y97.9Very high97.4Very high0 Ų070.8 Ų70.80%036%0.362CS..Hα-helixtrans-62.5-40.8176.9-168-98.7000111.7F81 D82 A88 Y89 I90 I123 L124 I127 F132 L146F81-Y86 HydrophobicContact CB-CD2 4.26Å; F81-Y86 HydrophobicContact CD1-CD2 4.38Å; F81-Y86 HydrophobicContact CD2-CD2 4.01Å; F81-Y86 HydrophobicContact CE2-CD2 4.44Å; F81-Y86 AromaticContact CG-CD2 3.97Å; F81-Y86 HydrophobicContact CG-CD2 3.97Å; D82-Y86 PolarHBondContact O-N 2.92Å; Y86-A88 VanDerWaalsContact C-N 3.32Å; Y86-A88 PolarHBondContact O-N 2.85Å; Y86-Y89 HydrophobicContact CD2-CD1 4.07Å; Y86-Y89 AromaticContact CE2-CD1 4Å; Y86-Y89 HydrophobicContact CE2-CD1 4Å; Y86-Y89 HydrophobicContact CE2-CE1 4.13Å; Y86-Y89 PolarHBondContact O-N 3.45Å; Y86-I90 HydrophobicContact CD1-CB 4.31Å; Y86-I90 HydrophobicContact CD1-CG2 4.28Å; Y86-I90 HydrophobicContact CE1-CB 3.99Å; Y86-I90 HydrophobicContact CE1-CG1 4.17Å; Y86-I90 HydrophobicContact CE1-CG2 4.26Å; Y86-I90 WeakPolarHBondContact O-CB 3.29Å; Y86-I90 WeakPolarHBondContact O-CG2 3.49Å; Y86-I90 PolarHBondContact O-N 3.48Å; Y86-I123 HydrophobicContact CD1-CG2 4.23Å; Y86-I123 HydrophobicContact CE1-CB 4.24Å; Y86-I123 HydrophobicContact CE1-CG2 3.44Å; Y86-I123 VanDerWaalsContact CE1-CG2 3.44Å; Y86-L124 HydrophobicContact CD1-CD2 3.81Å; Y86-L124 HydrophobicContact CD1-CG 4.41Å; Y86-I127 HydrophobicContact CD1-CD1 4.47Å; Y86-I127 HydrophobicContact CG-CD1 4.08Å; Y86-F132 HydrophobicContact CD2-CD1 4Å; Y86-F132 AromaticContact CD2-CE1 3.58Å; Y86-F132 HydrophobicContact CD2-CE1 3.58Å; Y86-F132 HydrophobicContact CD2-CZ 4.37Å; Y86-F132 AromaticContact CE2-CD1 3.83Å; Y86-F132 HydrophobicContact CE2-CD1 3.83Å; Y86-F132 AromaticContact CE2-CE1 3.51Å; Y86-F132 HydrophobicContact CE2-CE1 3.51Å; Y86-F132 HydrophobicContact CG-CE1 4.42Å; Y86-L146 HydrophobicContact CE2-CD2 4.14Å
87M97.7Very high97.4Very high120 Ų12070.4 Ų70.459%0.59136%0.36SS*.Hα-helixtrans-62.1-38.2177.2-175.3176.9-179.700112.5K83 K84 Q85 K91 L124K83-M87 VanDerWaalsContact O-CB 3.26Å; K83-M87 WeakPolarHBondContact O-CB 3.46Å; K83-M87 PolarHBondContact O-N 2.79Å; K83-M87 VanDerWaalsContact O-N 3.12Å; K84-M87 PolarHBondContact O-N 2.75Å; Q85-M87 VanDerWaalsContact C-N 3.32Å; Q85-M87 PolarHBondContact O-N 2.6Å; M87-K91 WeakPolarHBondContact O-CB 3.22Å; M87-K91 PolarHBondContact O-N 3.26Å; M87-L124 HydrophobicContact CB-CD2 4.16Å
88A98Very high97.4Very high60 Ų6070.2 Ų70.250%0.49636%0.358SS..Hα-helixtrans-68.7-49.4175.300000111.2K84 Q85 Y86 K91 E92K84-A88 PolarHBondContact O-N 3.32Å; Q85-A88 PolarHBondContact O-N 3.11Å; Y86-A88 VanDerWaalsContact C-N 3.32Å; Y86-A88 PolarHBondContact O-N 2.85Å; A88-K91 PolarHBondContact O-N 3.09Å; A88-E92 PolarHBondContact O-N 2.92Å
89Y98.4Very high97.4Very high21 Ų2166.2 Ų66.28%0.08235%0.346CS..Hα-helixtrans-55-55.9176.7159.3-102000111.7F81 Q85 Y86 K91 E92 Y93 G142 V144F81-Y89 HydrophobicContact CE1-CD1 4.42Å; F81-Y89 HydrophobicContact CE1-CG 4.04Å; F81-Y89 HydrophobicContact CZ-CD1 4.13Å; F81-Y89 HydrophobicContact CZ-CD2 4.34Å; F81-Y89 AromaticContact CZ-CG 3.92Å; F81-Y89 HydrophobicContact CZ-CG 3.92Å; Q85-Y89 WeakPolarHBondContact O-CB 3.19Å; Q85-Y89 PolarHBondContact O-N 3.47Å; Y86-Y89 HydrophobicContact CD2-CD1 4.07Å; Y86-Y89 AromaticContact CE2-CD1 4Å; Y86-Y89 HydrophobicContact CE2-CD1 4Å; Y86-Y89 HydrophobicContact CE2-CE1 4.13Å; Y86-Y89 PolarHBondContact O-N 3.45Å; Y89-K91 PolarHBondContact O-N 3.29Å; Y89-E92 PolarHBondContact O-N 3.21Å; Y89-E92 VanDerWaalsContact O-N 3.08Å; Y89-Y93 HydrophobicContact CE2-CD2 4.44Å; Y89-Y93 HydrophobicContact CE2-CG 4.43Å; Y89-Y93 WeakPolarHBondContact O-CB 3.45Å; Y89-Y93 PolarHBondContact O-N 3.18Å; Y89-G142 WeakPolarHBondContact CE2-O 3.28Å; Y89-G142 PolarHBondContact OH-O 3.32Å; Y89-V144 HydrophobicContact CD1-CG2 4.41Å; Y89-V144 HydrophobicContact CE1-CB 3.8Å; Y89-V144 HydrophobicContact CE1-CG2 3.67Å; Y89-V144 HydrophobicContact CE2-CG2 3.87Å; Y89-V144 WeakPolarHBondContact OH-CB 3.28Å; Y89-V144 WeakPolarHBondContact OH-CG2 3.45Å; Y89-V144 PolarHBondContact OH-N 3.37Å
90I98.4Very high97.5Very high5 Ų567.9 Ų67.93%0.02635%0.35CS..Hα-helixtrans-65.5-28.9-171.2-165.855.3000112Y86 Y93 V94 V120 F161Y86-I90 HydrophobicContact CD1-CB 4.31Å; Y86-I90 HydrophobicContact CD1-CG2 4.28Å; Y86-I90 HydrophobicContact CE1-CB 3.99Å; Y86-I90 HydrophobicContact CE1-CG1 4.17Å; Y86-I90 HydrophobicContact CE1-CG2 4.26Å; Y86-I90 WeakPolarHBondContact O-CB 3.29Å; Y86-I90 WeakPolarHBondContact O-CG2 3.49Å; Y86-I90 PolarHBondContact O-N 3.48Å; I90-Y93 HydrophobicContact CD1-CD1 3.96Å; I90-V94 HydrophobicContact CD1-CG2 4.16Å; I90-V94 HydrophobicContact CG1-CG2 4.22Å; I90-V94 VanDerWaalsContact O-CB 3.29Å; I90-V94 WeakPolarHBondContact O-CB 3.28Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.27Å; I90-V120 HydrophobicContact CD1-CG2 4.4Å; I90-V120 HydrophobicContact CG1-CG1 4.1Å; I90-V120 HydrophobicContact CG1-CG2 3.65Å; I90-V120 HydrophobicContact CG2-CG1 3.76Å; I90-F161 HydrophobicContact CD1-CE2 3.75Å; I90-F161 HydrophobicContact CD1-CZ 3.56Å
91K98.1Very high97.7Very high146 Ų14665.5 Ų65.564%0.63532%0.323SS*.Hα-helixtrans-65.1-47.1174.9-179.6-175.8171.7-167.90111.5M87 A88 Y89 K95M87-K91 WeakPolarHBondContact O-CB 3.22Å; M87-K91 PolarHBondContact O-N 3.26Å; A88-K91 PolarHBondContact O-N 3.09Å; Y89-K91 PolarHBondContact O-N 3.29Å; K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 3.34Å
92E98.5Very high97.8Very high102 Ų10268.3 Ų68.348%0.47734%0.337SS..Hα-helixtrans-71.2-38.8178.2-62.7-52.3136.300111.1A88 Y89 K95 A96A88-E92 PolarHBondContact O-N 2.92Å; Y89-E92 PolarHBondContact O-N 3.21Å; Y89-E92 VanDerWaalsContact O-N 3.08Å; E92-K95 WeakPolarHBondContact O-CB 3.4Å; E92-K95 PolarHBondContact O-N 2.59Å; E92-K95 IonicContact OE2-NZ 3.23Å; E92-A96 PolarHBondContact O-N 2.72Å
93Y98.6Very high98Very high3 Ų370.9 Ų70.91%0.01235%0.347CS..Hα-helixtrans-60.5-49.5175.1-179.4-100.4000112.4I8 Y89 I90 K95 A96 V97 G142 M143 F161I8-Y93 HydrophobicContact CD1-CD2 3.73Å; I8-Y93 HydrophobicContact CD1-CE2 3.67Å; Y89-Y93 HydrophobicContact CE2-CD2 4.44Å; Y89-Y93 HydrophobicContact CE2-CG 4.43Å; Y89-Y93 WeakPolarHBondContact O-CB 3.45Å; Y89-Y93 PolarHBondContact O-N 3.18Å; I90-Y93 HydrophobicContact CD1-CD1 3.96Å; Y93-K95 PolarHBondContact O-N 3.37Å; Y93-A96 WeakPolarHBondContact O-CB 3.44Å; Y93-A96 PolarHBondContact O-N 3.22Å; Y93-A96 VanDerWaalsContact O-N 3.09Å; Y93-V97 HydrophobicContact CD1-CG2 4.19Å; Y93-V97 HydrophobicContact CE1-CG2 3.68Å; Y93-V97 HydrophobicContact CE2-CG2 4.17Å; Y93-V97 WeakPolarHBondContact O-CG2 3.27Å; Y93-V97 PolarHBondContact O-N 3.15Å; Y93-G142 WeakPolarHBondContact CD2-O 3.43Å; Y93-M143 HydrophobicContact CE2-CB 4.09Å; Y93-M143 WeakPolarHBondContact OH-CE 3.42Å; Y93-F161 HydrophobicContact CD1-CD2 4.34Å; Y93-F161 HydrophobicContact CD1-CE2 4.45Å; Y93-F161 HydrophobicContact CE1-CB 4.15Å; Y93-F161 AromaticContact CE1-CD2 3.6Å; Y93-F161 HydrophobicContact CE1-CD2 3.6Å; Y93-F161 HydrophobicContact CE1-CE2 4.15Å; Y93-F161 AromaticContact CE1-CG 3.87Å; Y93-F161 HydrophobicContact CE1-CG 3.87Å
94V98.4Very high98Very high14 Ų1469.8 Ų69.89%0.08535%0.35CS..Hα-helixtrans-60-36.7176.31670000111.3I90 K98 F112 M113 V116I90-V94 HydrophobicContact CD1-CG2 4.16Å; I90-V94 HydrophobicContact CG1-CG2 4.22Å; I90-V94 VanDerWaalsContact O-CB 3.29Å; I90-V94 WeakPolarHBondContact O-CB 3.28Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.27Å; V94-K98 VanDerWaalsContact O-CB 3.26Å; V94-K98 WeakPolarHBondContact O-CB 3.46Å; V94-K98 PolarHBondContact O-N 2.71Å; V94-F112 HydrophobicContact CG1-CE1 3.92Å; V94-F112 HydrophobicContact CG1-CZ 4.16Å; V94-M113 HydrophobicContact CG1-CE 4.26Å; V94-M113 HydrophobicContact CG1-SD 3.94Å; V94-V116 HydrophobicContact CG1-CG1 3.99Å; V94-V116 HydrophobicContact CG2-CG2 3.89Å
95K98.4Very high98Very high133 Ų13365 Ų6558%0.57833%0.332SS*.Hα-helixtrans-65.8-40.5175.4-178.4-175169.8-163.20111.8K91 E92 Y93 K98 A99K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 3.34Å; E92-K95 WeakPolarHBondContact O-CB 3.4Å; E92-K95 PolarHBondContact O-N 2.59Å; E92-K95 IonicContact OE2-NZ 3.23Å; Y93-K95 PolarHBondContact O-N 3.37Å; K95-K98 PolarHBondContact O-N 3.39Å; K95-A99 WeakPolarHBondContact O-CB 3.49Å; K95-A99 PolarHBondContact O-N 2.96Å
96A98.4Very high98Very high41 Ų4163.8 Ų63.834%0.33933%0.333SS..Hα-helixtrans-65.6-45.7175.900000111.8I8 E92 Y93 K98 A99 K100I8-A96 HydrophobicContact CD1-CB 3.61Å; I8-A96 HydrophobicContact CG1-CB 4.47Å; E92-A96 PolarHBondContact O-N 2.72Å; Y93-A96 WeakPolarHBondContact O-CB 3.44Å; Y93-A96 PolarHBondContact O-N 3.22Å; Y93-A96 VanDerWaalsContact O-N 3.09Å; A96-K98 VanDerWaalsContact C-N 3.35Å; A96-K98 PolarHBondContact O-N 2.82Å; A96-A99 PolarHBondContact O-N 2.85Å; A96-K100 PolarHBondContact O-N 3.09Å
97V98.4Very high98Very high0 Ų070.9 Ų70.90%037%0.372CS..Hα-helixtrans-60.3-45.2174.5175.20000110.9I7 Y93 A99 K100 L101 F112 D163I7-V97 HydrophobicContact CD1-CG2 4.33Å; Y93-V97 HydrophobicContact CD1-CG2 4.19Å; Y93-V97 HydrophobicContact CE1-CG2 3.68Å; Y93-V97 HydrophobicContact CE2-CG2 4.17Å; Y93-V97 WeakPolarHBondContact O-CG2 3.27Å; Y93-V97 PolarHBondContact O-N 3.15Å; V97-A99 VanDerWaalsContact C-N 3.34Å; V97-A99 PolarHBondContact O-N 2.97Å; V97-K100 PolarHBondContact O-N 3.31Å; V97-K100 VanDerWaalsContact O-N 3.13Å; V97-L101 HydrophobicContact CG1-CD1 4.2Å; V97-L101 HydrophobicContact CG1-CG 4.41Å; V97-L101 WeakPolarHBondContact O-CG 3.45Å; V97-L101 PolarHBondContact O-N 3.48Å; V97-F112 HydrophobicContact CB-CE1 4.29Å; V97-F112 HydrophobicContact CB-CZ 4.02Å; V97-F112 HydrophobicContact CG1-CE1 3.96Å; V97-F112 HydrophobicContact CG1-CE2 4.08Å; V97-F112 HydrophobicContact CG1-CZ 3.6Å; V97-D163 HydrophobicContact CG1-CB 3.95Å
98K98.3Very high98Very high69 Ų6967 Ų6730%0.335%0.35SS..Hα-helixtrans-56.7-47.1175.2-176.2-166.7176.5176.80111.6V94 K95 A96 K100 L101 Q102 V109 F112 M113V94-K98 VanDerWaalsContact O-CB 3.26Å; V94-K98 WeakPolarHBondContact O-CB 3.46Å; V94-K98 PolarHBondContact O-N 2.71Å; K95-K98 PolarHBondContact O-N 3.39Å; A96-K98 VanDerWaalsContact C-N 3.35Å; A96-K98 PolarHBondContact O-N 2.82Å; K98-K100 VanDerWaalsContact C-N 3.26Å; K98-K100 PolarHBondContact O-N 3.32Å; K98-L101 PolarHBondContact O-N 3.02Å; K98-Q102 WeakPolarHBondContact O-CG 3.24Å; K98-Q102 PolarHBondContact O-N 2.84Å; K98-V109 HydrophobicContact CD-CG1 4.48Å; K98-V109 HydrophobicContact CG-CG1 3.94Å; K98-F112 HydrophobicContact CB-CE1 4.44Å; K98-M113 HydrophobicContact CB-SD 4.15Å; K98-M113 HydrophobicContact CD-CG 4.17Å; K98-M113 HydrophobicContact CD-SD 3.78Å; K98-M113 HydrophobicContact CG-CG 4.36Å; K98-M113 HydrophobicContact CG-SD 4.05Å
99A98.3Very high98Very high43 Ų4365 Ų6536%0.35533%0.332SS..Hα-helixtrans-59.2-41178.200000110.9K95 A96 V97 Q102 E103K95-A99 WeakPolarHBondContact O-CB 3.49Å; K95-A99 PolarHBondContact O-N 2.96Å; A96-A99 PolarHBondContact O-N 2.85Å; V97-A99 VanDerWaalsContact C-N 3.34Å; V97-A99 PolarHBondContact O-N 2.97Å; A99-Q102 WeakPolarHBondContact O-CB 3.21Å; A99-Q102 PolarHBondContact O-N 3.41Å; A99-E103 PolarHBondContact O-N 3.35Å
100K97.7Very high97.9Very high84 Ų8472 Ų7237%0.36537%0.366SS..Hα-helixtrans-66.9-42176.3-15870.4-171.1159.10113I7 A96 V97 K98 Q102 E103 T104I7-K100 HydrophobicContact CD1-CB 3.88Å; I7-K100 HydrophobicContact CD1-CG 4Å; A96-K100 PolarHBondContact O-N 3.09Å; V97-K100 PolarHBondContact O-N 3.31Å; V97-K100 VanDerWaalsContact O-N 3.13Å; K98-K100 VanDerWaalsContact C-N 3.26Å; K98-K100 PolarHBondContact O-N 3.32Å; K100-Q102 VanDerWaalsContact C-N 3.28Å; K100-Q102 PolarHBondContact O-N 3Å; K100-E103 IonicContact NZ-OE2 2.79Å; K100-E103 PolarHBondContact NZ-OE2 3.15Å; K100-E103 WeakPolarHBondContact O-CB 3.23Å; K100-E103 PolarHBondContact O-N 3.48Å; K100-T104 HydrophobicContact CG-CG2 4.41Å; K100-T104 PolarHBondContact O-N 2.86Å; K100-T104 PolarHBondContact O-OG1 3.07Å
101L98Very high97.9Very high9 Ų973.8 Ų73.85%0.04738%0.379CS..Hα-helixtrans-60.4-37.5174.1-71.6173.3000111.8V97 K98 E103 T104 N105 P106 R108 V109 F112 D163V97-L101 HydrophobicContact CG1-CD1 4.2Å; V97-L101 HydrophobicContact CG1-CG 4.41Å; V97-L101 WeakPolarHBondContact O-CG 3.45Å; V97-L101 PolarHBondContact O-N 3.48Å; K98-L101 PolarHBondContact O-N 3.02Å; L101-E103 PolarHBondContact O-N 3.27Å; L101-T104 PolarHBondContact O-N 3.25Å; L101-N105 HydrophobicContact CD2-CB 4.31Å; L101-N105 CarbonylContact O-C 3.52Å; L101-N105 WeakPolarHBondContact O-CA 3.42Å; L101-N105 PolarHBondContact O-N 2.89Å; L101-N105 VanDerWaalsContact O-O 3.1Å; L101-P106 VanDerWaalsContact O-N 3.12Å; L101-R108 HydrophobicContact CD1-CG 4.13Å; L101-R108 HydrophobicContact CD2-CB 4.24Å; L101-R108 HydrophobicContact CD2-CG 3.93Å; L101-V109 HydrophobicContact CB-CG2 3.69Å; L101-F112 HydrophobicContact CD1-CB 3.81Å; L101-F112 HydrophobicContact CD1-CD1 3.69Å; L101-F112 HydrophobicContact CD1-CD2 4.29Å; L101-F112 HydrophobicContact CD1-CE1 4.33Å; L101-F112 HydrophobicContact CD1-CG 3.66Å; L101-D163 HydrophobicContact CD1-CB 4.12Å; L101-D163 HydrophobicContact CD2-CB 4.28Å
102Q98.1Very high97.9Very high108 Ų10867 Ų6751%0.50535%0.349SS..Hα-helixtrans-61.9-26.4175.2-71.6174.2-5000113.2K98 A99 K100 V109K98-Q102 WeakPolarHBondContact O-CG 3.24Å; K98-Q102 PolarHBondContact O-N 2.84Å; A99-Q102 WeakPolarHBondContact O-CB 3.21Å; A99-Q102 PolarHBondContact O-N 3.41Å; K100-Q102 VanDerWaalsContact C-N 3.28Å; K100-Q102 PolarHBondContact O-N 3Å; Q102-V109 HydrophobicContact CB-CG2 4.46Å; Q102-V109 HydrophobicContact CG-CG1 4.28Å; Q102-V109 HydrophobicContact CG-CG2 3.7Å
103E97.3Very high97.8Very high135 Ų13564.6 Ų64.663%0.63134%0.338SS*.Hα-helixtrans-86.1-39.7176.1-64.8172.2-173.800112.5A99 K100 L101A99-E103 PolarHBondContact O-N 3.35Å; K100-E103 IonicContact NZ-OE2 2.79Å; K100-E103 PolarHBondContact NZ-OE2 3.15Å; K100-E103 WeakPolarHBondContact O-CB 3.23Å; K100-E103 PolarHBondContact O-N 3.48Å; L101-E103 PolarHBondContact O-N 3.27Å
104T96.4Very high97.7Very high95 Ų9567.5 Ų67.558%0.58336%0.363SS*.Hα-helixtrans-108-30.2-165.861.50000114.5K100 L101K100-T104 HydrophobicContact CG-CG2 4.41Å; K100-T104 PolarHBondContact O-N 2.86Å; K100-T104 PolarHBondContact O-OG1 3.07Å; L101-T104 PolarHBondContact O-N 3.25Å
105N96.8Very high97.7Very high74 Ų7470 Ų7040%0.39637%0.374SS..  trans-151.871.3-179-172.12.8000111L101 D107 R108L101-N105 HydrophobicContact CD2-CB 4.31Å; L101-N105 CarbonylContact O-C 3.52Å; L101-N105 WeakPolarHBondContact O-CA 3.42Å; L101-N105 PolarHBondContact O-N 2.89Å; L101-N105 VanDerWaalsContact O-O 3.1Å; N105-D107 PolarHBondContact O-N 3.17Å; N105-R108 HydrophobicContact CB-CB 4.31Å; N105-R108 WeakPolarHBondContact ND2-CB 3.44Å; N105-R108 WeakPolarHBondContact O-CB 3.43Å; N105-R108 PolarHBondContact O-N 2.87Å; N105-R108 VanDerWaalsContact O-N 3.08Å
106P97.5Very high97.7Very high77 Ų7763.8 Ų63.850%0.535%0.347SS..THydrogen-bonded Turntrans-59.4-32.5-171.1-23.733.1000113.8L101 R108 V109L101-P106 VanDerWaalsContact O-N 3.12Å; P106-R108 PolarHBondContact O-N 3.25Å; P106-V109 VanDerWaalsContact O-CB 3.32Å; P106-V109 WeakPolarHBondContact O-CB 3.32Å; P106-V109 VanDerWaalsContact O-CG2 3.29Å; P106-V109 WeakPolarHBondContact O-CG2 3.42Å; P106-V109 PolarHBondContact O-N 2.9Å; P106-V109 VanDerWaalsContact O-N 3.15Å
107D97.9Very high97.6Very high150 Ų15067.1 Ų67.180%0.80236%0.355SS*.THydrogen-bonded Turntrans-66.8-22-178.8-62-22.9000112.6N105N105-D107 PolarHBondContact O-N 3.17Å
108R97.3Very high97.5Very high37 Ų3770 Ų7014%0.1437%0.374CS..Hα-helixtrans-79.5-17.7176.9178.658.9-172.1137.4-2.1113.2L101 N105 P106 E110 S111 F112 E115 D163L101-R108 HydrophobicContact CD1-CG 4.13Å; L101-R108 HydrophobicContact CD2-CB 4.24Å; L101-R108 HydrophobicContact CD2-CG 3.93Å; N105-R108 HydrophobicContact CB-CB 4.31Å; N105-R108 WeakPolarHBondContact ND2-CB 3.44Å; N105-R108 WeakPolarHBondContact O-CB 3.43Å; N105-R108 PolarHBondContact O-N 2.87Å; N105-R108 VanDerWaalsContact O-N 3.08Å; P106-R108 PolarHBondContact O-N 3.25Å; R108-E110 PolarHBondContact O-N 2.8Å; R108-S111 VanDerWaalsContact NH1-C 3.31Å; R108-S111 PolarHBondContact NH1-OG 3.4Å; R108-S111 PolarHBondContact O-N 2.93Å; R108-S111 PolarHBondContact O-OG 2.95Å; R108-S111 VanDerWaalsContact O-OG 3.1Å; R108-F112 HydrophobicContact CG-CB 4.44Å; R108-F112 VanDerWaalsContact NH1-N 3.11Å; R108-F112 VanDerWaalsContact O-CB 3.24Å; R108-F112 WeakPolarHBondContact O-CB 3.45Å; R108-F112 PolarHBondContact O-N 3.14Å; R108-E115 IonicContact CZ-OE2 3.77Å; R108-E115 VanDerWaalsContact CZ-OE2 3.23Å; R108-E115 IonicContact NH1-OE1 2.59Å; R108-E115 IonicContact NH1-OE2 3.04Å; R108-E115 PolarHBondContact NH1-OE2 2.88Å; R108-E115 IonicContact NH2-OE2 3.64Å; R108-E115 PolarHBondContact NH2-OE2 3.08Å; R108-D163 IonicContact CZ-OD2 2.72Å; R108-D163 IonicContact NE-OD1 3.15Å; R108-D163 PolarHBondContact NE-OD1 2.75Å; R108-D163 IonicContact NE-OD2 2.76Å; R108-D163 PolarHBondContact NE-OD2 2.9Å; R108-D163 VanDerWaalsContact NE-OD2 3.15Å; R108-D163 IonicContact NH2-OD2 3.15Å; R108-D163 PolarHBondContact NH2-OD2 3.04Å
109V97.9Very high97.5Very high20 Ų2067.8 Ų67.812%0.12137%0.365CS..Hα-helixtrans-61.1-44.9-170.5172.80000112.5K98 L101 Q102 P106 M113K98-V109 HydrophobicContact CD-CG1 4.48Å; K98-V109 HydrophobicContact CG-CG1 3.94Å; L101-V109 HydrophobicContact CB-CG2 3.69Å; Q102-V109 HydrophobicContact CB-CG2 4.46Å; Q102-V109 HydrophobicContact CG-CG1 4.28Å; Q102-V109 HydrophobicContact CG-CG2 3.7Å; P106-V109 VanDerWaalsContact O-CB 3.32Å; P106-V109 WeakPolarHBondContact O-CB 3.32Å; P106-V109 VanDerWaalsContact O-CG2 3.29Å; P106-V109 WeakPolarHBondContact O-CG2 3.42Å; P106-V109 PolarHBondContact O-N 2.9Å; P106-V109 VanDerWaalsContact O-N 3.15Å; V109-M113 WeakPolarHBondContact O-CB 3.45Å; V109-M113 VanDerWaalsContact O-CG 3.25Å; V109-M113 WeakPolarHBondContact O-CG 3.47Å; V109-M113 PolarHBondContact O-N 3Å; V109-M113 VanDerWaalsContact O-N 3.09Å
110E97.6Very high97.5Very high168 Ų16866.9 Ų66.979%0.78536%0.355SS*.Hα-helixtrans-66.4-50-176.9-174.6177.2171.900111.5R108 M113 A114R108-E110 PolarHBondContact O-N 2.8Å; E110-M113 PolarHBondContact O-N 3.47Å; E110-A114 PolarHBondContact O-N 2.95Å; E110-A114 VanDerWaalsContact O-N 3.12Å
111S97.3Very high97.4Very high42 Ų4269.8 Ų69.829%0.29437%0.367SS..Hα-helixtrans-63.4-42.8178.849.90000111.6R108 M113 A114 E115R108-S111 VanDerWaalsContact NH1-C 3.31Å; R108-S111 PolarHBondContact NH1-OG 3.4Å; R108-S111 PolarHBondContact O-N 2.93Å; R108-S111 PolarHBondContact O-OG 2.95Å; R108-S111 VanDerWaalsContact O-OG 3.1Å; S111-M113 PolarHBondContact O-N 3.12Å; S111-A114 PolarHBondContact O-N 2.83Å; S111-E115 WeakPolarHBondContact O-CB 3.28Å; S111-E115 VanDerWaalsContact O-CG 3.28Å; S111-E115 WeakPolarHBondContact O-CG 3.02Å; S111-E115 PolarHBondContact O-N 2.7Å
112F98Very high97.4Very high2 Ų275.4 Ų75.41%0.00939%0.391CS..Hα-helixtrans-56.9-48.6175.5169.5-108.2000111.5I27 V94 V97 K98 L101 R108 A114 E115 V116 D163I27-F112 HydrophobicContact CD1-CD2 3.84Å; I27-F112 HydrophobicContact CD1-CE2 4.29Å; V94-F112 HydrophobicContact CG1-CE1 3.92Å; V94-F112 HydrophobicContact CG1-CZ 4.16Å; V97-F112 HydrophobicContact CB-CE1 4.29Å; V97-F112 HydrophobicContact CB-CZ 4.02Å; V97-F112 HydrophobicContact CG1-CE1 3.96Å; V97-F112 HydrophobicContact CG1-CE2 4.08Å; V97-F112 HydrophobicContact CG1-CZ 3.6Å; K98-F112 HydrophobicContact CB-CE1 4.44Å; L101-F112 HydrophobicContact CD1-CB 3.81Å; L101-F112 HydrophobicContact CD1-CD1 3.69Å; L101-F112 HydrophobicContact CD1-CD2 4.29Å; L101-F112 HydrophobicContact CD1-CE1 4.33Å; L101-F112 HydrophobicContact CD1-CG 3.66Å; R108-F112 HydrophobicContact CG-CB 4.44Å; R108-F112 VanDerWaalsContact NH1-N 3.11Å; R108-F112 VanDerWaalsContact O-CB 3.24Å; R108-F112 WeakPolarHBondContact O-CB 3.45Å; R108-F112 PolarHBondContact O-N 3.14Å; F112-A114 VanDerWaalsContact C-N 3.28Å; F112-A114 PolarHBondContact O-N 2.88Å; F112-E115 PolarHBondContact O-N 3.36Å; F112-V116 HydrophobicContact CD2-CB 4.31Å; F112-V116 HydrophobicContact CE1-CG1 4.43Å; F112-V116 HydrophobicContact CE2-CB 4Å; F112-V116 HydrophobicContact CE2-CG2 3.94Å; F112-V116 HydrophobicContact CZ-CB 4.23Å; F112-V116 HydrophobicContact CZ-CG1 4.34Å; F112-V116 HydrophobicContact CZ-CG2 4.05Å; F112-V116 WeakPolarHBondContact O-CB 3.38Å; F112-V116 WeakPolarHBondContact O-CG1 3.33Å; F112-V116 PolarHBondContact O-N 3.39Å; F112-D163 HydrophobicContact CD2-CB 4.06Å; F112-D163 WeakPolarHBondContact CD2-OD2 3.34Å; F112-D163 HydrophobicContact CE2-CB 4.16Å
113M97.8Very high97.3Very high52 Ų5270.3 Ų70.326%0.25637%0.368SS..Hα-helixtrans-65.9-30.3-178.7-71.1-59.6-56.100113.1V94 K98 V109 E110 S111 Q117V94-M113 HydrophobicContact CG1-CE 4.26Å; V94-M113 HydrophobicContact CG1-SD 3.94Å; K98-M113 HydrophobicContact CB-SD 4.15Å; K98-M113 HydrophobicContact CD-CG 4.17Å; K98-M113 HydrophobicContact CD-SD 3.78Å; K98-M113 HydrophobicContact CG-CG 4.36Å; K98-M113 HydrophobicContact CG-SD 4.05Å; V109-M113 WeakPolarHBondContact O-CB 3.45Å; V109-M113 VanDerWaalsContact O-CG 3.25Å; V109-M113 WeakPolarHBondContact O-CG 3.47Å; V109-M113 PolarHBondContact O-N 3Å; V109-M113 VanDerWaalsContact O-N 3.09Å; E110-M113 PolarHBondContact O-N 3.47Å; S111-M113 PolarHBondContact O-N 3.12Å; M113-Q117 VanDerWaalsContact O-CG 3.32Å; M113-Q117 WeakPolarHBondContact O-CG 3.28Å; M113-Q117 PolarHBondContact O-NE2 3.13Å
114A97.1Very high97.3Very high64 Ų6464.9 Ų64.953%0.52934%0.343SS..Hα-helixtrans-75.1-4417600000112E110 S111 F112 P118E110-A114 PolarHBondContact O-N 2.95Å; E110-A114 VanDerWaalsContact O-N 3.12Å; S111-A114 PolarHBondContact O-N 2.83Å; F112-A114 VanDerWaalsContact C-N 3.28Å; F112-A114 PolarHBondContact O-N 2.88Å; A114-P118 WeakPolarHBondContact O-CD 3.33Å
115E97.3Very high97.4Very high68 Ų6863.6 Ų63.632%0.31835%0.348SS..Hα-helixtrans-78.3-33-175.7-70.5160.5-16600112.9I27 R108 S111 F112 Q117 P118I27-E115 HydrophobicContact CD1-CB 3.63Å; I27-E115 HydrophobicContact CG1-CB 3.67Å; R108-E115 IonicContact CZ-OE2 3.77Å; R108-E115 VanDerWaalsContact CZ-OE2 3.23Å; R108-E115 IonicContact NH1-OE1 2.59Å; R108-E115 IonicContact NH1-OE2 3.04Å; R108-E115 PolarHBondContact NH1-OE2 2.88Å; R108-E115 IonicContact NH2-OE2 3.64Å; R108-E115 PolarHBondContact NH2-OE2 3.08Å; S111-E115 WeakPolarHBondContact O-CB 3.28Å; S111-E115 VanDerWaalsContact O-CG 3.28Å; S111-E115 WeakPolarHBondContact O-CG 3.02Å; S111-E115 PolarHBondContact O-N 2.7Å; F112-E115 PolarHBondContact O-N 3.36Å; E115-Q117 PolarHBondContact O-N 3.03Å; E115-P118 WeakPolarHBondContact O-CD 3.33Å; E115-P118 VanDerWaalsContact O-CG 3.23Å; E115-P118 WeakPolarHBondContact O-CG 3.48Å
116V98Very high97.3Very high2 Ų262.5 Ų62.51%0.01234%0.342CS..Hα-helixtrans-70.8-31.4-178.176.60000112.4I27 V94 F112 E119 V120 F161I27-V116 HydrophobicContact CD1-CB 4.09Å; I27-V116 HydrophobicContact CG2-CG2 4.41Å; V94-V116 HydrophobicContact CG1-CG1 3.99Å; V94-V116 HydrophobicContact CG2-CG2 3.89Å; F112-V116 HydrophobicContact CD2-CB 4.31Å; F112-V116 HydrophobicContact CE1-CG1 4.43Å; F112-V116 HydrophobicContact CE2-CB 4Å; F112-V116 HydrophobicContact CE2-CG2 3.94Å; F112-V116 HydrophobicContact CZ-CB 4.23Å; F112-V116 HydrophobicContact CZ-CG1 4.34Å; F112-V116 HydrophobicContact CZ-CG2 4.05Å; F112-V116 WeakPolarHBondContact O-CB 3.38Å; F112-V116 WeakPolarHBondContact O-CG1 3.33Å; F112-V116 PolarHBondContact O-N 3.39Å; V116-E119 PolarHBondContact O-N 3.1Å; V116-V120 HydrophobicContact CG2-CG2 4.1Å; V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.32Å; V116-V120 PolarHBondContact O-N 2.64Å; V116-F161 HydrophobicContact CG2-CD1 4.4Å; V116-F161 HydrophobicContact CG2-CE1 3.81Å
117Q96.1Very high97.2Very high110 Ų11059.6 Ų59.651%0.51432%0.323SS..Hα-helixtrans-60-51.5-178.7-74.9-179.519.400114.4M113 E115 E119 K121M113-Q117 VanDerWaalsContact O-CG 3.32Å; M113-Q117 WeakPolarHBondContact O-CG 3.28Å; M113-Q117 PolarHBondContact O-NE2 3.13Å; E115-Q117 PolarHBondContact O-N 3.03Å; Q117-E119 VanDerWaalsContact C-N 3.29Å; Q117-E119 PolarHBondContact O-N 3.29Å; Q117-K121 WeakPolarHBondContact O-CG 3.5Å; Q117-K121 PolarHBondContact O-N 3.17Å
118P97.8Very high97Very high60 Ų6061.9 Ų61.939%0.3933%0.325SS..Hα-helixtrans-63.5-36.2176.224.1-33.7000112A114 E115 K121 K122A114-P118 WeakPolarHBondContact O-CD 3.33Å; E115-P118 WeakPolarHBondContact O-CD 3.33Å; E115-P118 VanDerWaalsContact O-CG 3.23Å; E115-P118 WeakPolarHBondContact O-CG 3.48Å; P118-K121 WeakPolarHBondContact O-CB 3.41Å; P118-K121 PolarHBondContact O-N 3.45Å; P118-K122 WeakPolarHBondContact O-CG 3.37Å; P118-K122 PolarHBondContact O-N 3.41Å
119E97.9Very high96.9Very high24 Ų2464.8 Ų64.811%0.11234%0.344CS..Hα-helixtrans-65.3-44.6177.7-68.1-48.3130.100112.6I27 F28 V116 Q117 K121 K122 I123I27-E119 HydrophobicContact CB-CG 4.18Å; I27-E119 HydrophobicContact CG1-CG 4.24Å; I27-E119 HydrophobicContact CG2-CB 4.38Å; I27-E119 HydrophobicContact CG2-CG 4.27Å; F28-E119 HydrophobicContact CE2-CB 3.67Å; F28-E119 HydrophobicContact CE2-CG 3.84Å; F28-E119 HydrophobicContact CZ-CB 4.01Å; V116-E119 PolarHBondContact O-N 3.1Å; Q117-E119 VanDerWaalsContact C-N 3.29Å; Q117-E119 PolarHBondContact O-N 3.29Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.2Å; E119-K122 WeakPolarHBondContact O-CB 3.4Å; E119-K122 PolarHBondContact O-N 2.87Å; E119-K122 VanDerWaalsContact O-N 3.09Å; E119-K122 IonicContact OE1-NZ 2.91Å; E119-K122 PolarHBondContact OE1-NZ 2.86Å; E119-K122 IonicContact OE2-NZ 2.82Å; E119-I123 WeakPolarHBondContact O-CG1 3.49Å; E119-I123 PolarHBondContact O-N 3.24Å
120V97Very high96.9Very high23 Ų2365.3 Ų65.314%0.13934%0.344CS..Hα-helixtrans-60-38.1173.8170.90000111.3I90 V116 I123 L124I90-V120 HydrophobicContact CD1-CG2 4.4Å; I90-V120 HydrophobicContact CG1-CG1 4.1Å; I90-V120 HydrophobicContact CG1-CG2 3.65Å; I90-V120 HydrophobicContact CG2-CG1 3.76Å; V116-V120 HydrophobicContact CG2-CG2 4.1Å; V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.32Å; V116-V120 PolarHBondContact O-N 2.64Å; V120-I123 PolarHBondContact O-N 3.02Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 WeakPolarHBondContact O-CB 3.49Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 3.31Å
121K97.4Very high96.9Very high146 Ų14661 Ų6164%0.63532%0.323SS*.Hα-helixtrans-63.9-40.4174.9-71.9173.8-176.1172.60112.1Q117 P118 E119 L124 G125Q117-K121 WeakPolarHBondContact O-CG 3.5Å; Q117-K121 PolarHBondContact O-N 3.17Å; P118-K121 WeakPolarHBondContact O-CB 3.41Å; P118-K121 PolarHBondContact O-N 3.45Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.2Å; K121-L124 PolarHBondContact O-N 2.86Å; K121-G125 PolarHBondContact O-N 2.85Å
122K96.9Very high96.9Very high126 Ų12659.3 Ų59.355%0.54831%0.311SS..Hα-helixtrans-62.1-46.2175.3-69.4172.6-175.5170.80110.9P118 E119 L124 G125 N126P118-K122 WeakPolarHBondContact O-CG 3.37Å; P118-K122 PolarHBondContact O-N 3.41Å; E119-K122 WeakPolarHBondContact O-CB 3.4Å; E119-K122 PolarHBondContact O-N 2.87Å; E119-K122 VanDerWaalsContact O-N 3.09Å; E119-K122 IonicContact OE1-NZ 2.91Å; E119-K122 PolarHBondContact OE1-NZ 2.86Å; E119-K122 IonicContact OE2-NZ 2.82Å; K122-L124 PolarHBondContact O-N 2.96Å; K122-G125 WeakPolarHBondContact O-CA 3.45Å; K122-G125 PolarHBondContact O-N 2.85Å; K122-G125 VanDerWaalsContact O-N 3.08Å; K122-N126 PolarHBondContact O-N 3.49Å
123I96.9Very high97Very high2 Ų259.7 Ų59.71%0.0131%0.312CS..Hα-helixtrans-59.2-48.4176.8-63.3160.4000110.8F28 Y86 E119 V120 G125 N126 I127 Y130 L146 F161F28-I123 HydrophobicContact CE1-CD1 4.28Å; F28-I123 HydrophobicContact CZ-CD1 3.65Å; Y86-I123 HydrophobicContact CD1-CG2 4.23Å; Y86-I123 HydrophobicContact CE1-CB 4.24Å; Y86-I123 HydrophobicContact CE1-CG2 3.44Å; Y86-I123 VanDerWaalsContact CE1-CG2 3.44Å; E119-I123 WeakPolarHBondContact O-CG1 3.49Å; E119-I123 PolarHBondContact O-N 3.24Å; V120-I123 PolarHBondContact O-N 3.02Å; I123-G125 PolarHBondContact O-N 2.9Å; I123-N126 CarbonylContact O-C 3.38Å; I123-N126 PolarHBondContact O-N 3.08Å; I123-I127 VanDerWaalsContact O-CA 3.31Å; I123-I127 WeakPolarHBondContact O-CA 3.18Å; I123-I127 PolarHBondContact O-N 2.97Å; I123-Y130 HydrophobicContact CB-CE2 4.46Å; I123-Y130 HydrophobicContact CG1-CE2 4.38Å; I123-Y130 HydrophobicContact CG2-CD2 4.15Å; I123-Y130 HydrophobicContact CG2-CE2 4.2Å; I123-L146 HydrophobicContact CD1-CD1 3.51Å; I123-L146 HydrophobicContact CG1-CD1 3.75Å; I123-L146 HydrophobicContact CG2-CD1 4Å; I123-F161 HydrophobicContact CD1-CZ 4.34Å
124L97.1Very high97Very high21 Ų2157.6 Ų57.611%0.1130%0.303CS..Hα-helixtrans-63.2-23.5177.3-73.1171.4000113.8K83 Y86 M87 V120 K121 K122K83-L124 VanDerWaalsContact CE-O 3.27Å; K83-L124 WeakPolarHBondContact CE-O 3.45Å; K83-L124 HydrophobicContact CG-CD2 3.93Å; K83-L124 PolarHBondContact NZ-O 3.39Å; Y86-L124 HydrophobicContact CD1-CD2 3.81Å; Y86-L124 HydrophobicContact CD1-CG 4.41Å; M87-L124 HydrophobicContact CB-CD2 4.16Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 WeakPolarHBondContact O-CB 3.49Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 3.31Å; K121-L124 PolarHBondContact O-N 2.86Å; K122-L124 PolarHBondContact O-N 2.96Å
125G97.3Very high97Very high67 Ų6754.7 Ų54.769%0.69128%0.279SS*.Hα-helixtrans-77.2-37.6172.300000112.7K121 K122 I123K121-G125 PolarHBondContact O-N 2.85Å; K122-G125 WeakPolarHBondContact O-CA 3.45Å; K122-G125 PolarHBondContact O-N 2.85Å; K122-G125 VanDerWaalsContact O-N 3.08Å; I123-G125 PolarHBondContact O-N 2.9Å
126N95.2Very high97.1Very high51 Ų5156.5 Ų56.527%0.27329%0.287SS..Hα-helixtrans-101.812.8-177.3-161.747.5000113.9K122 I123 K128 N129 Y130 D148K122-N126 PolarHBondContact O-N 3.49Å; I123-N126 CarbonylContact O-C 3.38Å; I123-N126 PolarHBondContact O-N 3.08Å; N126-K128 PolarHBondContact O-N 3.46Å; N126-N129 PolarHBondContact O-N 3Å; N126-N129 PolarHBondContact OD1-ND2 2.78Å; N126-Y130 HydrophobicContact CB-CD2 4.35Å; N126-Y130 HydrophobicContact CB-CE2 3.87Å; N126-D148 PolarHBondContact ND2-OD2 3.16Å
127I95.3Very high97.1Very high17 Ų1759.6 Ų59.69%0.08731%0.309CS..THydrogen-bonded Turntrans-56.5-28-166.5-159.5-179.5000114.3K83 Y86 I123 N129 F132K83-I127 HydrophobicContact CB-CD1 4.22Å; K83-I127 HydrophobicContact CB-CG2 4.46Å; Y86-I127 HydrophobicContact CD1-CD1 4.47Å; Y86-I127 HydrophobicContact CG-CD1 4.08Å; I123-I127 VanDerWaalsContact O-CA 3.31Å; I123-I127 WeakPolarHBondContact O-CA 3.18Å; I123-I127 PolarHBondContact O-N 2.97Å; I127-N129 VanDerWaalsContact C-N 3.3Å; I127-N129 PolarHBondContact O-N 3.44Å; I127-F132 HydrophobicContact CD1-CZ 4.3Å; I127-F132 HydrophobicContact CG1-CE1 4.43Å; I127-F132 HydrophobicContact CG1-CE2 4.24Å; I127-F132 HydrophobicContact CG1-CZ 3.52Å
128K95.1Very high97.1Very high197 Ų19759 Ų5986%0.85731%0.308SS*.THydrogen-bonded Turntrans-73.6-20-178.8-65.2-173.5177.7-175.10113.9N126N126-K128 PolarHBondContact O-N 3.46Å
129N93.9Very high97.1Very high99 Ų9958.4 Ų58.453%0.52930%0.301SS..THydrogen-bonded Turntrans-91.3-26.6-179.2-67.4-17000111.4N126 I127N126-N129 PolarHBondContact O-N 3Å; N126-N129 PolarHBondContact OD1-ND2 2.78Å; I127-N129 VanDerWaalsContact C-N 3.3Å; I127-N129 PolarHBondContact O-N 3.44Å
130Y97.3Very high96.9Very high30 Ų3062.4 Ų62.412%0.11833%0.329CS..  trans-74136.9177.4-70.5-61.9000112.2I123 N126 F132 L146 L147 D148 L159I123-Y130 HydrophobicContact CB-CE2 4.46Å; I123-Y130 HydrophobicContact CG1-CE2 4.38Å; I123-Y130 HydrophobicContact CG2-CD2 4.15Å; I123-Y130 HydrophobicContact CG2-CE2 4.2Å; N126-Y130 HydrophobicContact CB-CD2 4.35Å; N126-Y130 HydrophobicContact CB-CE2 3.87Å; Y130-F132 WeakPolarHBondContact O-CE2 3.48Å; Y130-L146 HydrophobicContact CD1-CB 3.73Å; Y130-L146 HydrophobicContact CE1-CB 4.04Å; Y130-L146 HydrophobicContact CG-CB 4.24Å; Y130-L147 WeakPolarHBondContact CA-O 3.46Å; Y130-D148 HydrophobicContact CD1-CB 3.77Å; Y130-D148 HydrophobicContact CE1-CB 3.7Å; Y130-L159 HydrophobicContact CE1-CD1 4.25Å
131Q98Very high96.8Very high77 Ų7767.9 Ų67.936%0.3635%0.353SS..EExtended strand (participates in β ladder)trans-95.3141.1157.8-63.1176.417.700108.7F133 L147Q131-F133 HydrophobicContact CB-CD2 4.46Å; Q131-F133 HydrophobicContact CB-CE2 3.68Å; Q131-F133 HydrophobicContact CB-CZ 4.45Å; Q131-L147 HydrophobicContact CB-CB 4.17Å; Q131-L147 HydrophobicContact CB-CD2 4.38Å; Q131-L147 PolarHBondContact N-O 2.89Å; Q131-L147 PolarHBondContact O-N 2.81Å
132F98.4Very high96.8Very high7 Ų761 Ų613%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-109.2134.3-172.6-57.8-88000110.2E78 T79 F81 Y86 I127 Y130 V144 L146E78-F132 CarbonylContact C-O 3.52Å; E78-F132 WeakPolarHBondContact CA-O 3.5Å; T79-F132 HydrophobicContact CG2-CB 3.79Å; T79-F132 PolarHBondContact N-O 2.94Å; F81-F132 HydrophobicContact CB-CD2 4.26Å; F81-F132 HydrophobicContact CB-CE2 4.22Å; F81-F132 HydrophobicContact CB-CZ 4.47Å; F81-F132 HydrophobicContact CD2-CB 3.85Å; F81-F132 AromaticContact CD2-CD1 3.8Å; F81-F132 HydrophobicContact CD2-CD1 3.8Å; F81-F132 HydrophobicContact CD2-CD2 4.1Å; F81-F132 HydrophobicContact CD2-CE1 4.44Å; F81-F132 AromaticContact CD2-CG 3.63Å; F81-F132 HydrophobicContact CD2-CG 3.63Å; F81-F132 HydrophobicContact CE2-CB 4.25Å; F81-F132 HydrophobicContact CE2-CD1 4.45Å; F81-F132 HydrophobicContact CE2-CG 4.4Å; Y86-F132 HydrophobicContact CD2-CD1 4Å; Y86-F132 AromaticContact CD2-CE1 3.58Å; Y86-F132 HydrophobicContact CD2-CE1 3.58Å; Y86-F132 HydrophobicContact CD2-CZ 4.37Å; Y86-F132 AromaticContact CE2-CD1 3.83Å; Y86-F132 HydrophobicContact CE2-CD1 3.83Å; Y86-F132 AromaticContact CE2-CE1 3.51Å; Y86-F132 HydrophobicContact CE2-CE1 3.51Å; Y86-F132 HydrophobicContact CG-CE1 4.42Å; I127-F132 HydrophobicContact CD1-CZ 4.3Å; I127-F132 HydrophobicContact CG1-CE1 4.43Å; I127-F132 HydrophobicContact CG1-CE2 4.24Å; I127-F132 HydrophobicContact CG1-CZ 3.52Å; Y130-F132 WeakPolarHBondContact O-CE2 3.48Å; F132-V144 HydrophobicContact CB-CG1 3.74Å; F132-V144 HydrophobicContact CD1-CG1 3.73Å; F132-V144 HydrophobicContact CG-CG1 4.23Å; F132-L146 HydrophobicContact CD1-CD2 3.39Å; F132-L146 HydrophobicContact CE1-CD2 3.37Å
133F98.6Very high96.9Very high10 Ų1055.1 Ų55.14%0.04430%0.298CS..EExtended strand (participates in β ladder)trans-131.7128.9-178.3-71-90.8000111.1V71 L76 Q77 E78 Q131 V144 G145 L147 M158V71-F133 HydrophobicContact CB-CE1 4.36Å; V71-F133 HydrophobicContact CG1-CD1 3.88Å; V71-F133 HydrophobicContact CG1-CE1 3.61Å; V71-F133 HydrophobicContact CG1-CZ 4.47Å; V71-F133 HydrophobicContact CG2-CD1 3.86Å; V71-F133 HydrophobicContact CG2-CD2 4.41Å; V71-F133 HydrophobicContact CG2-CE1 3.76Å; V71-F133 HydrophobicContact CG2-CE2 4.33Å; V71-F133 HydrophobicContact CG2-CG 4.2Å; V71-F133 HydrophobicContact CG2-CZ 4.01Å; L76-F133 HydrophobicContact CB-CB 4.06Å; L76-F133 HydrophobicContact CB-CD1 4.13Å; L76-F133 HydrophobicContact CB-CG 4.46Å; L76-F133 HydrophobicContact CD1-CB 4.46Å; Q77-F133 CarbonylContact O-C 3.58Å; Q77-F133 WeakPolarHBondContact O-CA 3.47Å; E78-F133 HydrophobicContact CB-CD1 4.09Å; E78-F133 HydrophobicContact CB-CE1 3.64Å; E78-F133 HydrophobicContact CB-CZ 4.17Å; E78-F133 HydrophobicContact CG-CE1 4.05Å; E78-F133 HydrophobicContact CG-CZ 4.05Å; Q131-F133 HydrophobicContact CB-CD2 4.46Å; Q131-F133 HydrophobicContact CB-CE2 3.68Å; Q131-F133 HydrophobicContact CB-CZ 4.45Å; F133-V144 CarbonylContact O-C 3.47Å; F133-V144 VanDerWaalsContact O-CA 3.28Å; F133-V144 WeakPolarHBondContact O-CA 3.48Å; F133-G145 PolarHBondContact N-O 3.42Å; F133-G145 PolarHBondContact O-N 2.98Å; F133-L147 HydrophobicContact CD2-CB 3.96Å; F133-L147 HydrophobicContact CE2-CB 3.72Å; F133-L147 HydrophobicContact CE2-CD2 3.6Å; F133-L147 HydrophobicContact CE2-CG 4.3Å; F133-L147 HydrophobicContact CZ-CD2 4.07Å; F133-M158 HydrophobicContact CB-CE 3.8Å; F133-M158 HydrophobicContact CD2-CE 3.75Å; F133-M158 HydrophobicContact CG-CE 3.94Å
134T98.5Very high97Very high9 Ų955.1 Ų55.16%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-92165.9169.153.50000110.1L76 Q77 T79 V144L76-T134 CarbonylContact C-O 3.5Å; L76-T134 WeakPolarHBondContact CA-O 3.19Å; L76-T134 WeakPolarHBondContact CB-O 3.18Å; Q77-T134 PolarHBondContact N-O 2.86Å; Q77-T134 PolarHBondContact O-N 2.92Å; Q77-T134 PolarHBondContact O-OG1 2.95Å; T79-T134 HydrophobicContact CG2-CG2 4.06Å; T134-V144 HydrophobicContact CG2-CG2 4.06Å
135G98Very high97Very high2 Ų254.1 Ų54.12%0.02129%0.293CS..  trans-65.2174.1169.600000112.6S137 M138G135-S137 PolarHBondContact O-N 2.95Å; G135-S137 VanDerWaalsContact O-N 3.13Å; G135-M138 PolarHBondContact O-N 3.43Å
136E97.8Very high97.1Very high106 Ų10651 Ų5150%0.49526%0.26SS..THydrogen-bonded Turntrans-53-36.5-177.9-175.3174.3-16400112.7K75 M138K75-E136 HydrophobicContact CB-CB 4.4Å; K75-E136 HydrophobicContact CB-CG 4.19Å; K75-E136 VanDerWaalsContact CD-CD 3.44Å; K75-E136 HydrophobicContact CD-CG 4.24Å; K75-E136 WeakPolarHBondContact CD-OE1 3.38Å; K75-E136 IonicContact NZ-OE1 2.79Å; K75-E136 PolarHBondContact NZ-OE1 3.29Å; K75-E136 IonicContact NZ-OE2 2.71Å; E136-M138 PolarHBondContact O-N 3.04Å
137S97.6Very high97.3Very high67 Ų6748.7 Ų48.747%0.46925%0.248SC..THydrogen-bonded Turntrans-71.9-11.5179.675.50000115.2D11 G135 N139D11-S137 VanDerWaalsContact CG-OG 3.28Å; D11-S137 VanDerWaalsContact OD1-CB 3.27Å; D11-S137 WeakPolarHBondContact OD1-CB 3.2Å; D11-S137 PolarHBondContact OD1-N 2.91Å; D11-S137 PolarHBondContact OD1-OG 3.49Å; D11-S137 WeakPolarHBondContact OD2-CB 3.24Å; D11-S137 PolarHBondContact OD2-OG 3.38Å; G135-S137 PolarHBondContact O-N 2.95Å; G135-S137 VanDerWaalsContact O-N 3.13Å; S137-N139 PolarHBondContact O-N 2.79Å; S137-N139 WeakPolarHBondContact OG-CB 3.47Å; S137-N139 PolarHBondContact OG-N 3.46Å
138M97.2Very high97.4Very high99 Ų9949.1 Ų49.149%0.48825%0.25SS..  trans53.729.7-171.8-55.8-174.773.100114.2Q77 G135 E136 P140Q77-M138 HydrophobicContact CB-CE 4.13Å; Q77-M138 HydrophobicContact CB-CG 3.6Å; Q77-M138 HydrophobicContact CB-SD 4.04Å; Q77-M138 HydrophobicContact CG-CG 3.54Å; Q77-M138 HydrophobicContact CG-SD 4.07Å; G135-M138 PolarHBondContact O-N 3.43Å; E136-M138 PolarHBondContact O-N 3.04Å; M138-P140 WeakPolarHBondContact O-CD 3.28Å; M138-P140 VanDerWaalsContact O-N 3.15Å
139N96.9Very high97.4Very high47 Ų4743.3 Ų43.325%0.25122%0.224SC..  trans-60.1118.6179.7-175.5-32.9000110.6S137 E141 G142S137-N139 PolarHBondContact O-N 2.79Å; S137-N139 WeakPolarHBondContact OG-CB 3.47Å; S137-N139 PolarHBondContact OG-N 3.46Å; N139-E141 PolarHBondContact O-N 2.77Å; N139-E141 WeakPolarHBondContact OD1-CA 3.46Å; N139-E141 WeakPolarHBondContact OD1-CB 3.39Å; N139-E141 PolarHBondContact OD1-N 2.93Å; N139-G142 PolarHBondContact O-N 2.83Å; N139-G142 PolarHBondContact OD1-N 3.12Å
140P94.2Very high97.5Very high107 Ų10741.5 Ų41.570%0.69521%0.209SC*.THydrogen-bonded Turntrans-70.4-16.9-175.229.6-36.4000113.7M138M138-P140 WeakPolarHBondContact O-CD 3.28Å; M138-P140 VanDerWaalsContact O-N 3.15Å
141E96.2Very high97.3Very high139 Ų13950 Ų5065%0.6525%0.25SS*.THydrogen-bonded Turntrans-91.8-12.6174.9-55.4-177.6173.100112I8 N139I8-E141 VanDerWaalsContact CD1-O 3.28Å; I8-E141 WeakPolarHBondContact CD1-O 3.4Å; I8-E141 HydrophobicContact CG2-CB 4.23Å; N139-E141 PolarHBondContact O-N 2.77Å; N139-E141 WeakPolarHBondContact OD1-CA 3.46Å; N139-E141 WeakPolarHBondContact OD1-CB 3.39Å; N139-E141 PolarHBondContact OD1-N 2.93Å
142G97.3Very high97.2Very high1 Ų150.5 Ų50.51%0.0126%0.255CS..SBendtrans-72.8-178-177.600000114Y89 Y93 N139Y89-G142 WeakPolarHBondContact CE2-O 3.28Å; Y89-G142 PolarHBondContact OH-O 3.32Å; Y93-G142 WeakPolarHBondContact CD2-O 3.43Å; N139-G142 PolarHBondContact O-N 2.83Å; N139-G142 PolarHBondContact OD1-N 3.12Å
143M98.3Very high96.9Very high2 Ų252.7 Ų52.71%0.0128%0.28CS..  trans-68.5135.7176.3178.1178.1-70.300110.9C6 M13 Y93 F160 F161 L165C6-M143 HydrophobicContact CB-CB 4.06Å; C6-M143 VanDerWaalsContact SG-CB 3.59Å; C6-M143 PolarHBondContact SG-N 3.41Å; M13-M143 HydrophobicContact CE-CB 4.33Å; M13-M143 HydrophobicContact CE-CG 4.2Å; M13-M143 HydrophobicContact CE-SD 4.29Å; M13-M143 HydrophobicContact CG-SD 4.03Å; M13-M143 HydrophobicContact SD-CB 4.49Å; Y93-M143 HydrophobicContact CE2-CB 4.09Å; Y93-M143 WeakPolarHBondContact OH-CE 3.42Å; M143-F160 HydrophobicContact SD-CB 3.75Å; M143-F160 HydrophobicContact SD-CD1 3.61Å; M143-F160 HydrophobicContact SD-CG 4.15Å; M143-F161 HydrophobicContact CE-CB 4.01Å; M143-F161 VanDerWaalsContact CE-O 3.25Å; M143-F161 WeakPolarHBondContact CE-O 3.27Å; M143-L165 HydrophobicContact CE-CD1 4.33Å; M143-L165 HydrophobicContact CE-CD2 3.64Å; M143-L165 HydrophobicContact CE-CG 3.65Å; M143-L165 HydrophobicContact SD-CD2 3.87Å; M143-L165 HydrophobicContact SD-CG 4.38Å
144V98.6Very high96.7Very high3 Ų356.9 Ų56.92%0.01831%0.306CS..  trans-103.8115.1165.6173.10000108.4F81 Y89 F132 F133 T134 L146F81-V144 HydrophobicContact CE2-CG1 4.09Å; F81-V144 HydrophobicContact CE2-CG2 3.84Å; F81-V144 HydrophobicContact CZ-CG2 4.12Å; Y89-V144 HydrophobicContact CD1-CG2 4.41Å; Y89-V144 HydrophobicContact CE1-CB 3.8Å; Y89-V144 HydrophobicContact CE1-CG2 3.67Å; Y89-V144 HydrophobicContact CE2-CG2 3.87Å; Y89-V144 WeakPolarHBondContact OH-CB 3.28Å; Y89-V144 WeakPolarHBondContact OH-CG2 3.45Å; Y89-V144 PolarHBondContact OH-N 3.37Å; F132-V144 HydrophobicContact CB-CG1 3.74Å; F132-V144 HydrophobicContact CD1-CG1 3.73Å; F132-V144 HydrophobicContact CG-CG1 4.23Å; F133-V144 CarbonylContact O-C 3.47Å; F133-V144 VanDerWaalsContact O-CA 3.28Å; F133-V144 WeakPolarHBondContact O-CA 3.48Å; T134-V144 HydrophobicContact CG2-CG2 4.06Å; V144-L146 HydrophobicContact CG1-CD2 4.38Å
145G98.4Very high96.7Very high0 Ų058.2 Ų58.20%031%0.314CS..EExtended strand (participates in β ladder)trans-73.3141.116800000110.9F133F133-G145 PolarHBondContact N-O 3.42Å; F133-G145 PolarHBondContact O-N 2.98Å
146L98.6Very high96.7Very high1 Ų158.2 Ų58.21%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-110107.7-178.9-54.4172.9000109.2Y86 I123 Y130 F132 V144 M158 L159Y86-L146 HydrophobicContact CE2-CD2 4.14Å; I123-L146 HydrophobicContact CD1-CD1 3.51Å; I123-L146 HydrophobicContact CG1-CD1 3.75Å; I123-L146 HydrophobicContact CG2-CD1 4Å; Y130-L146 HydrophobicContact CD1-CB 3.73Å; Y130-L146 HydrophobicContact CE1-CB 4.04Å; Y130-L146 HydrophobicContact CG-CB 4.24Å; F132-L146 HydrophobicContact CD1-CD2 3.39Å; F132-L146 HydrophobicContact CE1-CD2 3.37Å; V144-L146 HydrophobicContact CG1-CD2 4.38Å; L146-M158 CarbonylContact O-C 3.56Å; L146-M158 VanDerWaalsContact O-CA 3.24Å; L146-M158 WeakPolarHBondContact O-CA 3.31Å; L146-L159 HydrophobicContact CB-CB 4.21Å; L146-L159 PolarHBondContact N-O 3.04Å; L146-L159 VanDerWaalsContact N-O 3.07Å; L146-L159 PolarHBondContact O-N 3.2Å
147L98.5Very high96.7Very high2 Ų254.5 Ų54.51%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-89.7131.1175.5173.667.8000110.1V68 Y130 Q131 F133 P156 Y157 M158V68-L147 HydrophobicContact CG2-CD1 4.07Å; V68-L147 HydrophobicContact CG2-CD2 3.85Å; Y130-L147 WeakPolarHBondContact CA-O 3.46Å; Q131-L147 HydrophobicContact CB-CB 4.17Å; Q131-L147 HydrophobicContact CB-CD2 4.38Å; Q131-L147 PolarHBondContact N-O 2.89Å; Q131-L147 PolarHBondContact O-N 2.81Å; F133-L147 HydrophobicContact CD2-CB 3.96Å; F133-L147 HydrophobicContact CE2-CB 3.72Å; F133-L147 HydrophobicContact CE2-CD2 3.6Å; F133-L147 HydrophobicContact CE2-CG 4.3Å; F133-L147 HydrophobicContact CZ-CD2 4.07Å; L147-P156 HydrophobicContact CD1-CB 3.71Å; L147-Y157 WeakPolarHBondContact CA-O 3.38Å; L147-Y157 WeakPolarHBondContact CD1-O 3.35Å; L147-M158 HydrophobicContact CB-CE 4.26Å; L147-M158 HydrophobicContact CB-CG 4.03Å; L147-M158 HydrophobicContact CD1-CG 3.75Å; L147-M158 HydrophobicContact CG-CG 4.5Å
148D97.4Very high96.8Very high26 Ų2651.3 Ų51.314%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-143.5175.5168.9-157.6-9.3000108.8N126 Y130 Y157N126-D148 PolarHBondContact ND2-OD2 3.16Å; Y130-D148 HydrophobicContact CD1-CB 3.77Å; Y130-D148 HydrophobicContact CE1-CB 3.7Å; D148-Y157 HydrophobicContact CB-CE1 4.03Å; D148-Y157 HydrophobicContact CB-CE2 4.16Å; D148-Y157 PolarHBondContact N-O 2.81Å; D148-Y157 PolarHBondContact O-N 3.06Å; D148-Y157 VanDerWaalsContact O-O 3.13Å
149Y96.5Very high96.8Very high76 Ų7647.2 Ų47.230%0.29825%0.253SS..EExtended strand (participates in β ladder)trans-116.1148.8-179-68.1-96.8000110.7T155 P156Y149-T155 WeakPolarHBondContact CA-O 3.49Å; Y149-P156 HydrophobicContact CD1-CB 4.17Å; Y149-P156 HydrophobicContact CE1-CB 3.85Å
150R95.2Very high96.9Very high61 Ų6145 Ų4523%0.2324%0.241CC..  trans-62.4171.7172.7-59.4-58.5-173.9-1711.6111.2E30 E32 D152 G153 T155 Y157E30-R150 IonicContact OE1-CZ 2.82Å; E30-R150 IonicContact OE1-NH1 3.54Å; E30-R150 PolarHBondContact OE1-NH1 2.82Å; E30-R150 IonicContact OE1-NH2 2.71Å; E30-R150 PolarHBondContact OE1-NH2 3.21Å; E30-R150 IonicContact OE2-NH1 3.42Å; E30-R150 PolarHBondContact OE2-NH1 2.92Å; E30-R150 VanDerWaalsContact OE2-NH1 3.15Å; E32-R150 IonicContact OE2-NH2 3.67Å; R150-D152 WeakPolarHBondContact CB-OD1 3.35Å; R150-D152 PolarHBondContact O-N 2.99Å; R150-G153 WeakPolarHBondContact O-CA 3.26Å; R150-G153 PolarHBondContact O-N 2.75Å; R150-T155 HydrophobicContact CG-CG2 3.87Å; R150-T155 WeakPolarHBondContact CG-O 3.32Å; R150-T155 PolarHBondContact N-O 2.98Å; R150-Y157 HydrophobicContact CG-CD1 4.25Å
151E94Very high97.1Very high208 Ų20840 Ų4097%0.97221%0.209SC*.THydrogen-bonded Turntrans-56.9-21.7173.7-62.2-176.4172.700113.4G153E151-G153 PolarHBondContact O-N 3.46Å
152D95.1Very high97.2Very high87 Ų8736.2 Ų36.247%0.46519%0.19SC..THydrogen-bonded Turntrans-70.9-12.1172.767.716.9000113.9R150 V154 T155R150-D152 WeakPolarHBondContact CB-OD1 3.35Å; R150-D152 PolarHBondContact O-N 2.99Å; D152-V154 HydrophobicContact CB-CG2 4.05Å; D152-V154 PolarHBondContact O-N 2.83Å; D152-V154 WeakPolarHBondContact OD1-CG2 3.42Å; D152-V154 PolarHBondContact OD1-N 3.38Å; D152-T155 PolarHBondContact OD1-N 3.24Å; D152-T155 WeakPolarHBondContact OD2-CB 3.16Å; D152-T155 PolarHBondContact OD2-OG1 3.05Å
153G93.1Very high97.2Very high53 Ų5337.4 Ų37.455%0.54620%0.196SC..SBendtrans69.84.9-179.900000115.2R150 E151R150-G153 WeakPolarHBondContact O-CA 3.26Å; R150-G153 PolarHBondContact O-N 2.75Å; E151-G153 PolarHBondContact O-N 3.46Å
154V94.1Very high97.2Very high99 Ų9937.3 Ų37.360%0.620%0.196SC*.SBendtrans-128.4-26.6-172.5-66.90000113.8D152 P156D152-V154 HydrophobicContact CB-CG2 4.05Å; D152-V154 PolarHBondContact O-N 2.83Å; D152-V154 WeakPolarHBondContact OD1-CG2 3.42Å; D152-V154 PolarHBondContact OD1-N 3.38Å; V154-P156 WeakPolarHBondContact O-CD 3.45Å
155T97.4Very high97.2Very high37 Ų3738.1 Ų38.123%0.22720%0.2CC..  trans-88.1109-179.7-59.50000109.4E32 Y149 R150 D152E32-T155 HydrophobicContact CG-CG2 3.85Å; Y149-T155 WeakPolarHBondContact CA-O 3.49Å; R150-T155 HydrophobicContact CG-CG2 3.87Å; R150-T155 WeakPolarHBondContact CG-O 3.32Å; R150-T155 PolarHBondContact N-O 2.98Å; D152-T155 PolarHBondContact OD1-N 3.24Å; D152-T155 WeakPolarHBondContact OD2-CB 3.16Å; D152-T155 PolarHBondContact OD2-OG1 3.05Å
156P98Very high97.1Very high1 Ų142.6 Ų42.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-76.2146.4177.631.2-34000111.1G33 V68 L147 Y149 V154G33-P156 PolarHBondContact N-O 2.96Å; G33-P156 WeakPolarHBondContact O-CD 3.41Å; V68-P156 HydrophobicContact CG1-CB 3.98Å; V68-P156 HydrophobicContact CG1-CG 3.85Å; V68-P156 HydrophobicContact CG2-CB 3.71Å; V68-P156 HydrophobicContact CG2-CG 3.94Å; L147-P156 HydrophobicContact CD1-CB 3.71Å; Y149-P156 HydrophobicContact CD1-CB 4.17Å; Y149-P156 HydrophobicContact CE1-CB 3.85Å; V154-P156 WeakPolarHBondContact O-CD 3.45Å
157Y98.3Very high97Very high29 Ų2946.2 Ų46.211%0.11425%0.245CC..EExtended strand (participates in β ladder)trans-138.4147.8165.868.9-89.9000110.7E30 V31 L147 D148 R150 L159E30-Y157 HydrophobicContact CG-CD2 3.69Å; E30-Y157 HydrophobicContact CG-CG 4.17Å; V31-Y157 CarbonylContact O-C 3.59Å; V31-Y157 VanDerWaalsContact O-CA 3.23Å; V31-Y157 WeakPolarHBondContact O-CA 3.47Å; L147-Y157 WeakPolarHBondContact CA-O 3.38Å; L147-Y157 WeakPolarHBondContact CD1-O 3.35Å; D148-Y157 HydrophobicContact CB-CE1 4.03Å; D148-Y157 HydrophobicContact CB-CE2 4.16Å; D148-Y157 PolarHBondContact N-O 2.81Å; D148-Y157 PolarHBondContact O-N 3.06Å; D148-Y157 VanDerWaalsContact O-O 3.13Å; R150-Y157 HydrophobicContact CG-CD1 4.25Å; Y157-L159 HydrophobicContact CD2-CD2 4.22Å; Y157-L159 HydrophobicContact CD2-CG 4.28Å; Y157-L159 HydrophobicContact CE2-CD1 4.38Å; Y157-L159 HydrophobicContact CE2-CD2 4.17Å; Y157-L159 HydrophobicContact CE2-CG 4.05Å
158M98.6Very high96.8Very high0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans-114.8136.6175.3-64.2-169.777.100111.2E30 V31 I70 V71 L76 F133 L146 L147 F160E30-M158 WeakPolarHBondContact CA-O 3.25Å; V31-M158 PolarHBondContact N-O 3.14Å; V31-M158 PolarHBondContact O-N 2.84Å; I70-M158 HydrophobicContact CB-SD 4.1Å; I70-M158 HydrophobicContact CD1-CB 4.46Å; I70-M158 HydrophobicContact CD1-CG 4.21Å; I70-M158 HydrophobicContact CD1-SD 4.47Å; I70-M158 HydrophobicContact CG2-SD 3.8Å; V71-M158 HydrophobicContact CG2-CE 4.33Å; V71-M158 HydrophobicContact CG2-SD 3.86Å; L76-M158 HydrophobicContact CD1-CE 3.87Å; L76-M158 HydrophobicContact CD1-SD 4.03Å; F133-M158 HydrophobicContact CB-CE 3.8Å; F133-M158 HydrophobicContact CD2-CE 3.75Å; F133-M158 HydrophobicContact CG-CE 3.94Å; L146-M158 CarbonylContact O-C 3.56Å; L146-M158 VanDerWaalsContact O-CA 3.24Å; L146-M158 WeakPolarHBondContact O-CA 3.31Å; L147-M158 HydrophobicContact CB-CE 4.26Å; L147-M158 HydrophobicContact CB-CG 4.03Å; L147-M158 HydrophobicContact CD1-CG 3.75Å; L147-M158 HydrophobicContact CG-CG 4.5Å; M158-F160 HydrophobicContact CB-CD2 4.22Å; M158-F160 HydrophobicContact CB-CE2 3.44Å; M158-F160 VanDerWaalsContact CB-CE2 3.44Å; M158-F160 HydrophobicContact CB-CZ 3.69Å; M158-F160 HydrophobicContact CE-CE1 4.2Å; M158-F160 HydrophobicContact CE-CZ 3.86Å; M158-F160 HydrophobicContact CG-CZ 4.4Å; M158-F160 HydrophobicContact SD-CE2 4.46Å; M158-F160 HydrophobicContact SD-CZ 3.87Å
159L98.6Very high96.5Very high13 Ų1357.3 Ų57.37%0.06829%0.293CS..EExtended strand (participates in β ladder)trans-97.6131.2170.5-56.7174000110.2T23 F28 Y29 E30 Y130 L146 Y157T23-L159 HydrophobicContact CG2-CD2 4.2Å; F28-L159 HydrophobicContact CB-CB 4.43Å; F28-L159 HydrophobicContact CB-CD2 4.29Å; F28-L159 HydrophobicContact CD1-CB 4.14Å; F28-L159 HydrophobicContact CG-CB 4.29Å; Y29-L159 WeakPolarHBondContact O-CA 3.28Å; E30-L159 HydrophobicContact CB-CD2 3.76Å; E30-L159 HydrophobicContact CG-CD2 3.72Å; Y130-L159 HydrophobicContact CE1-CD1 4.25Å; L146-L159 HydrophobicContact CB-CB 4.21Å; L146-L159 PolarHBondContact N-O 3.04Å; L146-L159 VanDerWaalsContact N-O 3.07Å; L146-L159 PolarHBondContact O-N 3.2Å; Y157-L159 HydrophobicContact CD2-CD2 4.22Å; Y157-L159 HydrophobicContact CD2-CG 4.28Å; Y157-L159 HydrophobicContact CE2-CD1 4.38Å; Y157-L159 HydrophobicContact CE2-CD2 4.17Å; Y157-L159 HydrophobicContact CE2-CG 4.05Å
160F98.7Very high95.7Very high0 Ų059.2 Ų59.20%032%0.316CS..EExtended strand (participates in β ladder)trans-129.8135.6175.8-59.8-78.8000110M13 F14 F28 Y29 V31 I70 L76 M143 M158 K162 L165M13-F160 HydrophobicContact CB-CD1 4.08Å; M13-F160 HydrophobicContact CB-CE1 3.98Å; M13-F160 HydrophobicContact CE-CD1 4.07Å; M13-F160 HydrophobicContact CE-CE1 3.72Å; F14-F160 HydrophobicContact CB-CE2 4.33Å; F14-F160 HydrophobicContact CD1-CB 4.4Å; F14-F160 HydrophobicContact CD1-CD1 4.44Å; F14-F160 AromaticContact CD1-CD2 3.42Å; F14-F160 HydrophobicContact CD1-CD2 3.42Å; F14-F160 VanDerWaalsContact CD1-CD2 3.42Å; F14-F160 AromaticContact CD1-CE2 3.61Å; F14-F160 HydrophobicContact CD1-CE2 3.61Å; F14-F160 AromaticContact CD1-CG 3.86Å; F14-F160 HydrophobicContact CD1-CG 3.86Å; F14-F160 HydrophobicContact CD1-CZ 4.22Å; F14-F160 HydrophobicContact CE1-CB 3.84Å; F14-F160 AromaticContact CE1-CD2 3.57Å; F14-F160 HydrophobicContact CE1-CD2 3.57Å; F14-F160 HydrophobicContact CE1-CE2 4.25Å; F14-F160 AromaticContact CE1-CG 3.8Å; F14-F160 HydrophobicContact CE1-CG 3.8Å; F14-F160 HydrophobicContact CG-CD2 4.32Å; F14-F160 HydrophobicContact CG-CE2 4.21Å; F28-F160 CarbonylContact C-O 3.56Å; F28-F160 VanDerWaalsContact CA-O 3.23Å; F28-F160 WeakPolarHBondContact CA-O 3.46Å; Y29-F160 PolarHBondContact N-O 3.45Å; Y29-F160 PolarHBondContact O-N 3.45Å; V31-F160 HydrophobicContact CB-CD2 4.4Å; V31-F160 HydrophobicContact CB-CE2 4.13Å; V31-F160 HydrophobicContact CG2-CD2 3.68Å; V31-F160 HydrophobicContact CG2-CE2 3.83Å; I70-F160 HydrophobicContact CG2-CZ 4.37Å; L76-F160 HydrophobicContact CD1-CE1 4.43Å; L76-F160 HydrophobicContact CD1-CZ 4.22Å; M143-F160 HydrophobicContact SD-CB 3.75Å; M143-F160 HydrophobicContact SD-CD1 3.61Å; M143-F160 HydrophobicContact SD-CG 4.15Å; M158-F160 HydrophobicContact CB-CD2 4.22Å; M158-F160 HydrophobicContact CB-CE2 3.44Å; M158-F160 VanDerWaalsContact CB-CE2 3.44Å; M158-F160 HydrophobicContact CB-CZ 3.69Å; M158-F160 HydrophobicContact CE-CE1 4.2Å; M158-F160 HydrophobicContact CE-CZ 3.86Å; M158-F160 HydrophobicContact CG-CZ 4.4Å; M158-F160 HydrophobicContact SD-CE2 4.46Å; M158-F160 HydrophobicContact SD-CZ 3.87Å; F160-K162 PolarHBondContact O-N 3.25Å; F160-L165 HydrophobicContact CB-CD1 4.1Å
161F98.4Very high95.7Very high2 Ų259.1 Ų59.11%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-65.5116.3180-74.2-88.9000110.9I27 F28 I90 Y93 V116 I123 M143 D163 G164I27-F161 HydrophobicContact CG2-CD1 3.82Å; I27-F161 HydrophobicContact CG2-CE1 3.95Å; F28-F161 HydrophobicContact CD1-CD1 4.16Å; F28-F161 HydrophobicContact CD1-CD2 4.49Å; F28-F161 HydrophobicContact CD1-CE1 4.35Å; F28-F161 HydrophobicContact CD1-CG 4.23Å; F28-F161 AromaticContact CE1-CD1 3.59Å; F28-F161 HydrophobicContact CE1-CD1 3.59Å; F28-F161 AromaticContact CE1-CD2 3.96Å; F28-F161 HydrophobicContact CE1-CD2 3.96Å; F28-F161 AromaticContact CE1-CE1 3.37Å; F28-F161 HydrophobicContact CE1-CE1 3.37Å; F28-F161 AromaticContact CE1-CE2 3.76Å; F28-F161 HydrophobicContact CE1-CE2 3.76Å; F28-F161 AromaticContact CE1-CG 3.88Å; F28-F161 HydrophobicContact CE1-CG 3.88Å; F28-F161 AromaticContact CE1-CZ 3.45Å; F28-F161 HydrophobicContact CE1-CZ 3.45Å; F28-F161 VanDerWaalsContact CE1-CZ 3.45Å; F28-F161 HydrophobicContact CZ-CD1 4.26Å; F28-F161 AromaticContact CZ-CE1 3.68Å; F28-F161 HydrophobicContact CZ-CE1 3.68Å; F28-F161 AromaticContact CZ-CZ 3.84Å; F28-F161 HydrophobicContact CZ-CZ 3.84Å; I90-F161 HydrophobicContact CD1-CE2 3.75Å; I90-F161 HydrophobicContact CD1-CZ 3.56Å; Y93-F161 HydrophobicContact CD1-CD2 4.34Å; Y93-F161 HydrophobicContact CD1-CE2 4.45Å; Y93-F161 HydrophobicContact CE1-CB 4.15Å; Y93-F161 AromaticContact CE1-CD2 3.6Å; Y93-F161 HydrophobicContact CE1-CD2 3.6Å; Y93-F161 HydrophobicContact CE1-CE2 4.15Å; Y93-F161 AromaticContact CE1-CG 3.87Å; Y93-F161 HydrophobicContact CE1-CG 3.87Å; V116-F161 HydrophobicContact CG2-CD1 4.4Å; V116-F161 HydrophobicContact CG2-CE1 3.81Å; I123-F161 HydrophobicContact CD1-CZ 4.34Å; M143-F161 HydrophobicContact CE-CB 4.01Å; M143-F161 VanDerWaalsContact CE-O 3.25Å; M143-F161 WeakPolarHBondContact CE-O 3.27Å; F161-D163 PolarHBondContact O-N 3.27Å; F161-G164 WeakPolarHBondContact O-CA 3.45Å; F161-G164 PolarHBondContact O-N 2.89Å
162K98.1Very high95.8Very high60 Ų6051.3 Ų51.326%0.26129%0.286SS..G310 helixtrans-56.5-50.4-177.4170.5174.4175.6-176.50112.2E22 I27 Y29 F160 G164 L165E22-K162 HydrophobicContact CG-CD 4.44Å; E22-K162 VanDerWaalsContact OE1-CE 3.31Å; E22-K162 WeakPolarHBondContact OE1-CE 3.35Å; E22-K162 IonicContact OE1-NZ 3.17Å; E22-K162 PolarHBondContact OE1-NZ 3.38Å; E22-K162 IonicContact OE2-NZ 2.76Å; E22-K162 PolarHBondContact OE2-NZ 3.11Å; I27-K162 PolarHBondContact O-N 3.28Å; Y29-K162 HydrophobicContact CD2-CB 4.01Å; Y29-K162 HydrophobicContact CD2-CG 4.25Å; Y29-K162 HydrophobicContact CE1-CD 4.24Å; Y29-K162 HydrophobicContact CE1-CG 4.41Å; Y29-K162 HydrophobicContact CE2-CB 3.88Å; Y29-K162 HydrophobicContact CE2-CD 4.3Å; Y29-K162 HydrophobicContact CE2-CG 3.6Å; F160-K162 PolarHBondContact O-N 3.25Å; K162-G164 PolarHBondContact O-N 2.75Å; K162-G164 VanDerWaalsContact O-N 3.15Å; K162-L165 PolarHBondContact O-N 3.01Å
163D98.2Very high95.8Very high26 Ų2649.3 Ų49.314%0.13928%0.276CS..G310 helixtrans-69.2-9.5179.8-65.4-64.1000112.8V97 L101 R108 F112 F161V97-D163 HydrophobicContact CG1-CB 3.95Å; L101-D163 HydrophobicContact CD1-CB 4.12Å; L101-D163 HydrophobicContact CD2-CB 4.28Å; R108-D163 IonicContact CZ-OD2 2.72Å; R108-D163 IonicContact NE-OD1 3.15Å; R108-D163 PolarHBondContact NE-OD1 2.75Å; R108-D163 IonicContact NE-OD2 2.76Å; R108-D163 PolarHBondContact NE-OD2 2.9Å; R108-D163 VanDerWaalsContact NE-OD2 3.15Å; R108-D163 IonicContact NH2-OD2 3.15Å; R108-D163 PolarHBondContact NH2-OD2 3.04Å; F112-D163 HydrophobicContact CD2-CB 4.06Å; F112-D163 WeakPolarHBondContact CD2-OD2 3.34Å; F112-D163 HydrophobicContact CE2-CB 4.16Å; F161-D163 PolarHBondContact O-N 3.27Å
164G98Very high96Very high0 Ų049.1 Ų49.10%026%0.26CS..G310 helixtrans-936.7175.300000114.8I7 F161 K162I7-G164 PolarHBondContact N-O 3.08Å; F161-G164 WeakPolarHBondContact O-CA 3.45Å; F161-G164 PolarHBondContact O-N 2.89Å; K162-G164 PolarHBondContact O-N 2.75Å; K162-G164 VanDerWaalsContact O-N 3.15Å
165L98.2Very high96.1Very high19 Ų1945.9 Ų45.910%0.09924%0.239CC..EExtended strand (participates in β ladder)trans-118.8140-175.7-64.2159000113.1Y4 K5 I7 M13 F14 Y29 M143 F160 K162Y4-L165 HydrophobicContact CD1-CD1 4.38Å; K5-L165 CarbonylContact O-C 3.52Å; K5-L165 VanDerWaalsContact O-CA 3.25Å; K5-L165 WeakPolarHBondContact O-CA 3.46Å; I7-L165 VanDerWaalsContact CG2-C 3.44Å; M13-L165 HydrophobicContact CB-CD2 4.18Å; M13-L165 HydrophobicContact CG-CD2 3.96Å; F14-L165 HydrophobicContact CE1-CD1 3.54Å; F14-L165 HydrophobicContact CE1-CD2 4.38Å; F14-L165 HydrophobicContact CZ-CD1 3.83Å; Y29-L165 HydrophobicContact CD2-CD1 3.62Å; Y29-L165 HydrophobicContact CE2-CD1 4.09Å; M143-L165 HydrophobicContact CE-CD1 4.33Å; M143-L165 HydrophobicContact CE-CD2 3.64Å; M143-L165 HydrophobicContact CE-CG 3.65Å; M143-L165 HydrophobicContact SD-CD2 3.87Å; M143-L165 HydrophobicContact SD-CG 4.38Å; F160-L165 HydrophobicContact CB-CD1 4.1Å; K162-L165 PolarHBondContact O-N 3.01Å
166L96.6Very high96Very high94 Ų9446.5 Ų46.549%0.49224%0.24SC..EExtended strand (participates in β ladder)trans-92.4134.3162.4-94.7153.5000108.9Y4 K5 I7Y4-L166 WeakPolarHBondContact CA-O 3.33Å; K5-L166 PolarHBondContact N-O 2.92Å; K5-L166 PolarHBondContact O-N 2.78Å; I7-L166 HydrophobicContact CB-CD1 4.37Å; I7-L166 HydrophobicContact CG2-CB 4.21Å; I7-L166 HydrophobicContact CG2-CD1 3.97Å; I7-L166 HydrophobicContact CG2-CG 3.77Å
167V95.6Very high95.8Very high77 Ų7749.8 Ų49.847%0.46726%0.257SS..EExtended strand (participates in β ladder)trans-101.6109.1178.4-176.20000108.5I2 Y4I2-V167 HydrophobicContact CG2-CG1 3.38Å; Y4-V167 HydrophobicContact CD1-CG2 3.99Å; Y4-V167 HydrophobicContact CE1-CG1 4.44Å; Y4-V167 HydrophobicContact CE1-CG2 3.89Å
168E93.9Very high95.7Very high83 Ų8351.4 Ų51.439%0.38827%0.268SS..EExtended strand (participates in β ladder)trans-106.9130.1-179.5-170176.4109.300110.4I2 I3 K5I2-E168 WeakPolarHBondContact CA-O 3.48Å; I3-E168 PolarHBondContact N-O 3.14Å; I3-E168 PolarHBondContact O-N 2.99Å; K5-E168 IonicContact NZ-OE1 3.88Å; K5-E168 PolarHBondContact NZ-OE1 3.16Å; K5-E168 IonicContact NZ-OE2 2.73Å; K5-E168 PolarHBondContact NZ-OE2 3.08Å
169K91.8Very high95.4Very high179 Ų17955.7 Ų55.778%0.77829%0.29SS*.EExtended strand (participates in β ladder)trans-96.7120.8173.8-72.2-179.1177.2-179.90109.4I2I2-K169 HydrophobicContact CG1-CG 4.19Å
170C79.1Confident95.1Very high115 Ų11559.5 Ų59.578%0.77731%0.31SS*.  trans-105.20172.4-50.70000111M1M1-C170 PolarHBondContact N-O 2.78Å; M1-C170 PolarHBondContact O-N 2.81Å

Retrieved 170 of 170 residues in 91 ms (Link to these results)

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