G4VB66_SCHMA Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession G4VB66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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
1M36.3Very low66.5Low245 Ų245116.4 Ų116.4100%1.20763%0.625SS**  0100.30-71.4173.3178.100107.2A3M1-A3 PolarHBondContact O-N 2.94Å
2G41.1Very low68.9Low79 Ų79107.2 Ų107.281%0.81458%0.576SS**  trans-66.7115.8177.800000108.2R4G2-R4 PolarHBondContact O-N 3.02Å
3A50.8Low71.1Confident92 Ų92103.2 Ų103.276%0.7656%0.555SS**  trans-54.3107.2165.900000105.9M1 T5M1-A3 PolarHBondContact O-N 2.94Å; A3-T5 VanDerWaalsContact C-N 3.3Å; A3-T5 PolarHBondContact O-N 3.5Å
4R53.2Low73Confident232 Ų23295.8 Ų95.888%0.87552%0.515SS*.  trans-57.5105.2169.6-100.1179.8169.3166-3.1104.6G2 L6G2-R4 PolarHBondContact O-N 3.02Å; R4-L6 PolarHBondContact O-N 3.44Å
5T54.3Low74.5Confident134 Ų13498.3 Ų98.382%0.82252%0.52SS*.  trans-51.6109.2176.6-56.30000106.9A3 R7A3-T5 VanDerWaalsContact C-N 3.3Å; A3-T5 PolarHBondContact O-N 3.5Å; T5-R7 PolarHBondContact O-N 3.18Å
6L64.2Low75.7Confident113 Ų11394.9 Ų94.959%0.59250%0.5SS*.  trans-61.9118.6-177-67.8167.3000107.2R4 L8 Y34R4-L6 PolarHBondContact O-N 3.44Å; L6-L8 PolarHBondContact O-N 2.95Å; L6-Y34 HydrophobicContact CD2-CE2 3.9Å
7R75.8Confident76.6Confident144 Ų14496.9 Ų96.954%0.54350%0.503SS..  trans-89.1106.8-177.1-178.5173.8165.5168.5-3.7109.5T5 D25T5-R7 PolarHBondContact O-N 3.18Å; R7-D25 IonicContact CZ-OD2 3.33Å; R7-D25 IonicContact NE-OD2 2.79Å; R7-D25 PolarHBondContact NE-OD2 2.67Å; R7-D25 IonicContact NH2-OD2 3.51Å; R7-D25 PolarHBondContact NH2-OD2 2.76Å
8L85.1Confident77.3Confident100 Ų10095.3 Ų95.352%0.52451%0.514SS..  trans-66.5157.1167.2-68.4176.4000111L6 E38L6-L8 PolarHBondContact O-N 2.95Å; L8-E38 HydrophobicContact CD2-CG 4.36Å
9P87.3Confident78.1Confident14 Ų1490.4 Ų90.49%0.09149%0.488CS..  trans-59141.1174.523.3-33.5000111.8I11 D25 F35 E38P9-I11 HydrophobicContact CB-CD1 3.75Å; P9-I11 HydrophobicContact CB-CG1 4.19Å; P9-I11 HydrophobicContact CG-CD1 3.97Å; P9-I11 HydrophobicContact CG-CG1 4.19Å; P9-I11 PolarHBondContact O-N 3.32Å; P9-D25 WeakPolarHBondContact CA-OD1 3.05Å; P9-F35 HydrophobicContact CB-CD1 3.79Å; P9-F35 HydrophobicContact CB-CD2 4.47Å; P9-F35 HydrophobicContact CB-CE1 3.5Å; P9-F35 HydrophobicContact CB-CE2 4.18Å; P9-F35 HydrophobicContact CB-CG 4.3Å; P9-F35 HydrophobicContact CB-CZ 3.72Å; P9-F35 HydrophobicContact CG-CD1 4.37Å; P9-F35 HydrophobicContact CG-CE1 4.47Å; P9-F35 HydrophobicContact CG-CG 4.45Å; P9-E38 HydrophobicContact CG-CB 3.79Å; P9-E38 HydrophobicContact CG-CG 3.88Å
10I90.6Very high79Confident70 Ų7087.5 Ų87.536%0.35947%0.471SS..  trans-84.1101.7167.2-58176.6000107.7M24 D25 R150I10-M24 WeakPolarHBondContact O-CA 3.35Å; I10-D25 PolarHBondContact N-OD1 3.22Å; I10-R150 PolarHBondContact O-NH1 2.98Å
11I93.3Very high79.9Confident57 Ų5783.3 Ų83.329%0.29245%0.448SS..  trans-89.5134.9-176.1-60.5-60.7000111.7P9 I22 M24 L42P9-I11 HydrophobicContact CB-CD1 3.75Å; P9-I11 HydrophobicContact CB-CG1 4.19Å; P9-I11 HydrophobicContact CG-CD1 3.97Å; P9-I11 HydrophobicContact CG-CG1 4.19Å; P9-I11 PolarHBondContact O-N 3.32Å; I11-I22 HydrophobicContact CD1-CG2 3.82Å; I11-I22 HydrophobicContact CG2-CD1 3.97Å; I11-I22 HydrophobicContact CG2-CG2 4.04Å; I11-M24 HydrophobicContact CD1-CB 3.99Å; I11-L42 HydrophobicContact CD1-CD1 4.23Å; I11-L42 HydrophobicContact CG1-CD1 4.31Å; I11-L42 HydrophobicContact CG2-CD1 4.26Å
12T95.4Very high82.8Confident6 Ų671.6 Ų71.64%0.03739%0.391CS..EExtended strand (participates in β ladder)trans-124.6107169-57.80000108.4I14 I22 I23 K149 R150T12-I14 HydrophobicContact CG2-CD1 4.29Å; T12-I14 HydrophobicContact CG2-CG1 4.29Å; T12-I22 WeakPolarHBondContact O-CA 3.49Å; T12-I23 PolarHBondContact N-O 3.14Å; T12-I23 PolarHBondContact O-N 3.15Å; T12-K149 HydrophobicContact CG2-CB 3.67Å; T12-R150 HydrophobicContact CG2-CB 3.9Å; T12-R150 WeakPolarHBondContact OG1-CD 3Å; T12-R150 PolarHBondContact OG1-NH1 3.35Å
13D96.6Very high85.4Confident55 Ų5567.9 Ų67.929%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-90.7124-177.2-174.6-18.8000111.7H20 I22 K149D13-H20 IonicContact OD1-CD2 3.1Å; D13-H20 PolarHBondContact OD1-CD2 3.09Å; D13-H20 IonicContact OD1-CE1 3.09Å; D13-H20 IonicContact OD1-NE2 3.75Å; D13-H20 PolarHBondContact OD1-NE2 3.26Å; D13-H20 IonicContact OD2-CE1 3.8Å; D13-H20 IonicContact OD2-NE2 3.15Å; D13-H20 PolarHBondContact OD2-NE2 2.84Å; D13-H20 VanDerWaalsContact OD2-NE2 3.15Å; D13-I22 HydrophobicContact CB-CD1 3.88Å; D13-K149 VanDerWaalsContact O-CD 3.25Å; D13-K149 WeakPolarHBondContact O-CD 3.41Å; D13-K149 PolarHBondContact O-NZ 3.23Å
14I97.5Very high87.5Confident0 Ų063.5 Ų63.50%032%0.316CS..EExtended strand (participates in β ladder)trans-129.2120.8-179.7-59.6179.5000109.8T12 F21 I23 V128 L132 L145 I146 K149T12-I14 HydrophobicContact CG2-CD1 4.29Å; T12-I14 HydrophobicContact CG2-CG1 4.29Å; I14-F21 HydrophobicContact CB-CB 4.39Å; I14-F21 HydrophobicContact CG2-CD2 4.47Å; I14-F21 PolarHBondContact N-O 2.8Å; I14-F21 PolarHBondContact O-N 3.31Å; I14-I23 HydrophobicContact CD1-CD1 3.83Å; I14-V128 HydrophobicContact CD1-CG1 4.03Å; I14-V128 HydrophobicContact CG2-CG1 4.45Å; I14-L132 HydrophobicContact CG2-CD1 4.23Å; I14-L132 HydrophobicContact CG2-CD2 4.17Å; I14-L145 HydrophobicContact CG2-CD2 4.17Å; I14-I146 HydrophobicContact CD1-CB 4.4Å; I14-I146 HydrophobicContact CD1-CD1 4.42Å; I14-I146 HydrophobicContact CD1-CG1 3.48Å; I14-I146 VanDerWaalsContact CD1-CG1 3.48Å; I14-K149 HydrophobicContact CG1-CD 4.27Å
15K95.9Very high89.4Confident134 Ų13452.7 Ų52.758%0.58328%0.276SS*.EExtended strand (participates in β ladder)trans-119129.9174.8-65.3175.9-176.4179.50109.6M19 H20K15-M19 WeakPolarHBondContact CA-O 3.36Å; K15-H20 VanDerWaalsContact CE-CD2 3.47Å; K15-H20 WeakPolarHBondContact CE-CD2 3.31Å; K15-H20 WeakPolarHBondContact CE-CE1 3.32Å; K15-H20 WeakPolarHBondContact CE-ND1 3.3Å; K15-H20 WeakPolarHBondContact CE-NE2 3.48Å; K15-H20 HydrophobicContact CG-CB 4.2Å; K15-H20 VanDerWaalsContact CG-CD2 3.41Å; K15-H20 WeakPolarHBondContact CG-CD2 3.39Å
16H94.6Very high91.1Very high43 Ų4347.2 Ų47.220%0.19924%0.243CC..EExtended strand (participates in β ladder)trans-153.2130176.1-170.566.3000111.3G18 M19 L132 M137H16-G18 PolarHBondContact O-N 3.29Å; H16-G18 VanDerWaalsContact O-N 3.12Å; H16-M19 PolarHBondContact N-O 2.76Å; H16-M19 PolarHBondContact O-N 3.45Å; H16-L132 HydrophobicContact CB-CD2 3.37Å; H16-M137 WeakPolarHBondContact CE1-CE 3.45Å; H16-M137 WeakPolarHBondContact ND1-CE 3.41Å
17K90.3Very high92.5Very high129 Ų12942 Ų4256%0.56122%0.215SC*.THydrogen-bonded Turntrans45.444176.6-68-174.8-176.5-179.40114.7M19 L135K17-M19 VanDerWaalsContact C-N 3.29Å; K17-M19 PolarHBondContact O-N 3.25Å; K17-L135 HydrophobicContact CB-CD2 4.34Å; K17-L135 HydrophobicContact CD-CB 4.29Å; K17-L135 WeakPolarHBondContact CD-O 3.47Å; K17-L135 WeakPolarHBondContact CE-O 3.41Å; K17-L135 PolarHBondContact NZ-O 3.12Å
18G88.7Confident93.2Very high68 Ų6837.2 Ų37.270%0.70120%0.204SC*.THydrogen-bonded Turntrans81.9-2.5178.200000115.3H16H16-G18 PolarHBondContact O-N 3.29Å; H16-G18 VanDerWaalsContact O-N 3.12Å
19M93.4Very high93.5Very high2 Ų240.2 Ų40.21%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-95.5142.8169.8-60.1-166.4175.400110.7K15 H16 K17 F21 L90 F94 Y95 L135 L171K15-M19 WeakPolarHBondContact CA-O 3.36Å; H16-M19 PolarHBondContact N-O 2.76Å; H16-M19 PolarHBondContact O-N 3.45Å; K17-M19 VanDerWaalsContact C-N 3.29Å; K17-M19 PolarHBondContact O-N 3.25Å; M19-F21 HydrophobicContact CB-CD2 4.47Å; M19-F21 HydrophobicContact CB-CE2 3.57Å; M19-F21 HydrophobicContact CB-CZ 3.63Å; M19-F21 HydrophobicContact CG-CZ 4.37Å; M19-F21 HydrophobicContact SD-CZ 3.87Å; M19-L90 HydrophobicContact CE-CB 4.3Å; M19-L90 HydrophobicContact SD-CB 4.36Å; M19-L90 HydrophobicContact SD-CD1 4.29Å; M19-F94 HydrophobicContact CB-CD1 4.45Å; M19-F94 HydrophobicContact CB-CD2 3.97Å; M19-F94 HydrophobicContact CB-CE2 4.01Å; M19-F94 HydrophobicContact CB-CG 4.22Å; M19-F94 HydrophobicContact CB-CZ 4.32Å; M19-F94 HydrophobicContact CE-CB 4.2Å; M19-F94 HydrophobicContact CE-CD2 4.24Å; M19-F94 HydrophobicContact CG-CB 4.04Å; M19-F94 HydrophobicContact CG-CD1 4.38Å; M19-F94 HydrophobicContact CG-CD2 3.59Å; M19-F94 HydrophobicContact CG-CE2 4.14Å; M19-F94 HydrophobicContact CG-CG 3.75Å; M19-F94 HydrophobicContact SD-CD2 3.89Å; M19-F94 HydrophobicContact SD-CE2 4.45Å; M19-Y95 HydrophobicContact CE-CE1 4.36Å; M19-Y95 HydrophobicContact CE-CE2 3.77Å; M19-L135 HydrophobicContact CB-CD1 4.22Å; M19-L135 HydrophobicContact CE-CD2 3.94Å; M19-L135 HydrophobicContact CG-CD1 4.08Å; M19-L135 HydrophobicContact CG-CD2 4.46Å; M19-L135 HydrophobicContact SD-CD1 3.76Å; M19-L135 HydrophobicContact SD-CD2 4Å; M19-L135 HydrophobicContact SD-CG 4.19Å; M19-L171 HydrophobicContact CE-CB 4.2Å; M19-L171 HydrophobicContact CE-CD1 4.16Å; M19-L171 HydrophobicContact CE-CD2 4.15Å; M19-L171 HydrophobicContact CE-CG 4.4Å; M19-L171 HydrophobicContact SD-CD1 4.1Å
20H96.2Very high93.7Very high32 Ų3245.2 Ų45.215%0.14824%0.244CC..EExtended strand (participates in β ladder)trans-128.1118.1-178.3-172.9-172000109.7D13 K15 F94 P112 I113D13-H20 IonicContact OD1-CD2 3.1Å; D13-H20 PolarHBondContact OD1-CD2 3.09Å; D13-H20 IonicContact OD1-CE1 3.09Å; D13-H20 IonicContact OD1-NE2 3.75Å; D13-H20 PolarHBondContact OD1-NE2 3.26Å; D13-H20 IonicContact OD2-CE1 3.8Å; D13-H20 IonicContact OD2-NE2 3.15Å; D13-H20 PolarHBondContact OD2-NE2 2.84Å; D13-H20 VanDerWaalsContact OD2-NE2 3.15Å; K15-H20 VanDerWaalsContact CE-CD2 3.47Å; K15-H20 WeakPolarHBondContact CE-CD2 3.31Å; K15-H20 WeakPolarHBondContact CE-CE1 3.32Å; K15-H20 WeakPolarHBondContact CE-ND1 3.3Å; K15-H20 WeakPolarHBondContact CE-NE2 3.48Å; K15-H20 HydrophobicContact CG-CB 4.2Å; K15-H20 VanDerWaalsContact CG-CD2 3.41Å; K15-H20 WeakPolarHBondContact CG-CD2 3.39Å; H20-F94 HydrophobicContact CB-CE1 4.45Å; H20-F94 WeakPolarHBondContact O-CZ 3.4Å; H20-P112 HydrophobicContact CB-CB 4.15Å; H20-P112 WeakPolarHBondContact O-CA 3.26Å; H20-I113 PolarHBondContact O-N 2.85Å
21F97.9Very high93.7Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-118.1143.7-177.5-51.6-82.6000110.5I14 M19 W86 L90 I113 V128 A131 L132I14-F21 HydrophobicContact CB-CB 4.39Å; I14-F21 HydrophobicContact CG2-CD2 4.47Å; I14-F21 PolarHBondContact N-O 2.8Å; I14-F21 PolarHBondContact O-N 3.31Å; M19-F21 HydrophobicContact CB-CD2 4.47Å; M19-F21 HydrophobicContact CB-CE2 3.57Å; M19-F21 HydrophobicContact CB-CZ 3.63Å; M19-F21 HydrophobicContact CG-CZ 4.37Å; M19-F21 HydrophobicContact SD-CZ 3.87Å; F21-W86 AromaticContact CD1-CH2 3.93Å; F21-W86 HydrophobicContact CD1-CH2 3.93Å; F21-W86 AromaticContact CD1-CZ2 3.94Å; F21-W86 HydrophobicContact CD1-CZ2 3.94Å; F21-W86 AromaticContact CE1-CH2 3.89Å; F21-W86 HydrophobicContact CE1-CH2 3.89Å; F21-W86 AromaticContact CE1-CZ2 3.66Å; F21-W86 HydrophobicContact CE1-CZ2 3.66Å; F21-L90 HydrophobicContact CD1-CD2 4.46Å; F21-L90 HydrophobicContact CE1-CD1 4.06Å; F21-L90 HydrophobicContact CE1-CD2 3.53Å; F21-L90 HydrophobicContact CE1-CG 4.46Å; F21-L90 HydrophobicContact CZ-CD1 4.26Å; F21-L90 HydrophobicContact CZ-CD2 4.24Å; F21-I113 WeakPolarHBondContact CA-O 3.35Å; F21-V128 HydrophobicContact CB-CG1 4Å; F21-V128 HydrophobicContact CB-CG2 4.19Å; F21-V128 HydrophobicContact CD1-CG2 4.44Å; F21-V128 HydrophobicContact CD2-CG1 4.1Å; F21-V128 HydrophobicContact CG-CG1 3.99Å; F21-V128 HydrophobicContact CG-CG2 4.42Å; F21-A131 HydrophobicContact CE1-CB 4.08Å; F21-A131 HydrophobicContact CE2-CB 4.5Å; F21-A131 HydrophobicContact CZ-CB 3.73Å; F21-L132 HydrophobicContact CE2-CD2 4.39Å
22I97.2Very high93.8Very high0 Ų040.3 Ų40.30%022%0.219CC..EExtended strand (participates in β ladder)trans-120.1119.7171.7-65.6-67.8000107.7I11 T12 D13 L42 P112 I113 A114 V115I11-I22 HydrophobicContact CD1-CG2 3.82Å; I11-I22 HydrophobicContact CG2-CD1 3.97Å; I11-I22 HydrophobicContact CG2-CG2 4.04Å; T12-I22 WeakPolarHBondContact O-CA 3.49Å; D13-I22 HydrophobicContact CB-CD1 3.88Å; I22-L42 HydrophobicContact CD1-CD1 4.36Å; I22-P112 HydrophobicContact CG1-CB 3.74Å; I22-P112 HydrophobicContact CG1-CG 4.14Å; I22-I113 PolarHBondContact N-O 3.43Å; I22-A114 HydrophobicContact CB-CB 4.05Å; I22-A114 HydrophobicContact CG2-CB 4.15Å; I22-A114 CarbonylContact O-C 3.51Å; I22-A114 WeakPolarHBondContact O-CA 3.25Å; I22-V115 PolarHBondContact O-N 2.81Å
23I95.9Very high93.7Very high0 Ų043.8 Ų43.80%024%0.241CC..EExtended strand (participates in β ladder)trans-96.5127.3169-57.1162.8000108.1T12 I14 V115 A124 P125 V128 I146 R150T12-I23 PolarHBondContact N-O 3.14Å; T12-I23 PolarHBondContact O-N 3.15Å; I14-I23 HydrophobicContact CD1-CD1 3.83Å; I23-V115 WeakPolarHBondContact CA-O 3.49Å; I23-A124 HydrophobicContact CG2-CB 4.19Å; I23-P125 HydrophobicContact CD1-CB 4.45Å; I23-P125 HydrophobicContact CD1-CG 4.29Å; I23-P125 HydrophobicContact CG2-CG 4.18Å; I23-V128 HydrophobicContact CD1-CB 4.1Å; I23-V128 HydrophobicContact CD1-CG1 4.32Å; I23-V128 HydrophobicContact CD1-CG2 4.03Å; I23-V128 HydrophobicContact CG1-CB 4.4Å; I23-V128 HydrophobicContact CG1-CG2 3.76Å; I23-I146 HydrophobicContact CD1-CG2 4.33Å; I23-R150 PolarHBondContact O-NH1 2.87Å
24M94.6Very high93.6Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-132.1166178.566.5-173-179.700113I10 I11 F35 V47 A114 V115 H116I10-M24 WeakPolarHBondContact O-CA 3.35Å; I11-M24 HydrophobicContact CD1-CB 3.99Å; M24-F35 HydrophobicContact SD-CD1 4.22Å; M24-V47 HydrophobicContact CE-CG1 3.73Å; M24-V47 HydrophobicContact CE-CG2 4.08Å; M24-A114 HydrophobicContact CE-CB 3.83Å; M24-A114 HydrophobicContact SD-CB 4.14Å; M24-V115 PolarHBondContact N-O 2.93Å; M24-V115 VanDerWaalsContact N-O 3.11Å; M24-H116 HydrophobicContact CE-CB 4.29Å; M24-H116 HydrophobicContact CG-CB 3.64Å; M24-H116 VanDerWaalsContact O-CB 3.27Å; M24-H116 WeakPolarHBondContact O-CB 3.27Å
25D92Very high93.5Very high6 Ų645.1 Ų45.13%0.03224%0.243CC..PPolyproline II helixtrans-77.1167.5167.454.3-30.1000111.8R7 P9 I10 F35R7-D25 IonicContact CZ-OD2 3.33Å; R7-D25 IonicContact NE-OD2 2.79Å; R7-D25 PolarHBondContact NE-OD2 2.67Å; R7-D25 IonicContact NH2-OD2 3.51Å; R7-D25 PolarHBondContact NH2-OD2 2.76Å; P9-D25 WeakPolarHBondContact CA-OD1 3.05Å; I10-D25 PolarHBondContact N-OD1 3.22Å; D25-F35 VanDerWaalsContact O-CE1 3.31Å; D25-F35 WeakPolarHBondContact O-CE1 3.29Å
26S91.6Very high93.5Very high19 Ų1939.5 Ų39.513%0.13322%0.219CC..PPolyproline II helixtrans-70.4135.5177.8-168.10000110.9C117 I118S26-C117 WeakPolarHBondContact CA-O 3.31Å; S26-C117 WeakPolarHBondContact CB-O 3.39Å; S26-C117 PolarHBondContact N-O 2.91Å; S26-I118 WeakPolarHBondContact CB-O 3.41Å; S26-I118 PolarHBondContact N-O 3.12Å
27P92.6Very high93.5Very high2 Ų242 Ų421%0.01323%0.231CC..PPolyproline II helixtrans-59.6159.5156-11.922.7000111.7V32 F35 Y55 F60P27-V32 HydrophobicContact CB-CG2 3.66Å; P27-F35 HydrophobicContact CB-CB 4.4Å; P27-F35 HydrophobicContact CB-CD1 4.07Å; P27-F35 HydrophobicContact CB-CD2 4.35Å; P27-F35 HydrophobicContact CB-CE1 4.4Å; P27-F35 HydrophobicContact CB-CG 4.02Å; P27-F35 HydrophobicContact CG-CB 4.12Å; P27-F35 HydrophobicContact CG-CD1 3.5Å; P27-F35 HydrophobicContact CG-CE1 3.99Å; P27-F35 HydrophobicContact CG-CG 3.84Å; P27-Y55 HydrophobicContact CB-CD1 3.85Å; P27-Y55 HydrophobicContact CB-CD2 4.32Å; P27-Y55 HydrophobicContact CB-CE1 4.04Å; P27-Y55 HydrophobicContact CB-CG 4Å; P27-Y55 HydrophobicContact CG-CD1 3.94Å; P27-Y55 HydrophobicContact CG-CD2 4.39Å; P27-Y55 HydrophobicContact CG-CE1 3.58Å; P27-Y55 HydrophobicContact CG-CE2 4.1Å; P27-Y55 HydrophobicContact CG-CG 4.33Å; P27-F60 HydrophobicContact CG-CE2 4.29Å; P27-F60 HydrophobicContact CG-CZ 4.31Å
28S90.4Very high93.8Very high45 Ų4538.1 Ų38.132%0.31522%0.215SC..  trans-116.6158.4166.768.10000108.7T30 N31 V32S28-T30 PolarHBondContact O-N 3.35Å; S28-T30 PolarHBondContact OG-OG1 2.93Å; S28-N31 WeakPolarHBondContact CA-OD1 3.5Å; S28-N31 WeakPolarHBondContact CB-OD1 3.44Å; S28-N31 PolarHBondContact N-OD1 2.91Å; S28-N31 PolarHBondContact O-N 2.58Å; S28-N31 PolarHBondContact O-OD1 3.19Å; S28-N31 PolarHBondContact OG-N 2.83Å; S28-N31 PolarHBondContact OG-OD1 2.94Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.07Å; S28-V32 VanDerWaalsContact O-N 3.12Å
29K91.2Very high94.1Very high163 Ų16334.9 Ų34.971%0.70918%0.182SC*.THydrogen-bonded Turntrans-48-32178.8-59.1-173.5179.9-176.90114.2R54K29-R54 WeakPolarHBondContact CG-O 3.38Å
30T90.9Very high94.2Very high119 Ų11937.2 Ų37.273%0.7320%0.198SC*.THydrogen-bonded Turntrans-87.3-22.7-176.850.70000115S28S28-T30 PolarHBondContact O-N 3.35Å; S28-T30 PolarHBondContact OG-OG1 2.93Å
31N92Very high94.2Very high22 Ų2241.2 Ų41.212%0.11822%0.215CC..THydrogen-bonded Turntrans-114.72.4-176.172.7-12.5000114.3S28 P33 Y34 F35S28-N31 WeakPolarHBondContact CA-OD1 3.5Å; S28-N31 WeakPolarHBondContact CB-OD1 3.44Å; S28-N31 PolarHBondContact N-OD1 2.91Å; S28-N31 PolarHBondContact O-N 2.58Å; S28-N31 PolarHBondContact O-OD1 3.19Å; S28-N31 PolarHBondContact OG-N 2.83Å; S28-N31 PolarHBondContact OG-OD1 2.94Å; N31-P33 VanDerWaalsContact C-CD 3.43Å; N31-P33 VanDerWaalsContact C-N 3.33Å; N31-Y34 HydrophobicContact CB-CD2 4.04Å; N31-Y34 PolarHBondContact O-N 3.49Å; N31-Y34 VanDerWaalsContact O-N 3.08Å; N31-F35 WeakPolarHBondContact ND2-CE2 3.39Å; N31-F35 WeakPolarHBondContact O-CD2 3.5Å; N31-F35 PolarHBondContact O-N 3.46Å
32V94.5Very high94Very high2 Ų243.8 Ų43.81%0.01223%0.229CC..Hα-helixtrans-48.3-45.9174.1171.50000113.4P27 S28 Y34 F35 V36 Y55 P59 F60P27-V32 HydrophobicContact CB-CG2 3.66Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.07Å; S28-V32 VanDerWaalsContact O-N 3.12Å; V32-Y34 PolarHBondContact O-N 2.86Å; V32-Y34 VanDerWaalsContact O-N 3.15Å; V32-F35 WeakPolarHBondContact O-CB 3.42Å; V32-F35 PolarHBondContact O-N 2.97Å; V32-V36 HydrophobicContact CG1-CG2 4.06Å; V32-V36 WeakPolarHBondContact O-CG2 3.47Å; V32-V36 PolarHBondContact O-N 2.99Å; V32-Y55 HydrophobicContact CG1-CD2 4.29Å; V32-Y55 VanDerWaalsContact CG2-CB 3.41Å; V32-Y55 HydrophobicContact CG2-CD2 3.6Å; V32-Y55 HydrophobicContact CG2-CG 3.71Å; V32-P59 HydrophobicContact CG1-CB 3.69Å; V32-P59 HydrophobicContact CG1-CG 3.81Å; V32-F60 HydrophobicContact CG1-CD2 4.27Å; V32-F60 HydrophobicContact CG1-CE2 3.98Å
33P94.6Very high94Very high78 Ų7849.5 Ų49.551%0.50626%0.259SS..Hα-helixtrans-56.8-34.3-179.5-2736.8000113.7N31 V36 E37N31-P33 VanDerWaalsContact C-CD 3.43Å; N31-P33 VanDerWaalsContact C-N 3.33Å; P33-V36 PolarHBondContact O-N 3.33Å; P33-E37 PolarHBondContact O-N 2.89Å
34Y92.8Very high94Very high84 Ų8449.9 Ų49.933%0.32926%0.261SS..Hα-helixtrans-74.7-34.6177.4-54.6-68.2000112.5L6 N31 V32 V36 E37 E38L6-Y34 HydrophobicContact CD2-CE2 3.9Å; N31-Y34 HydrophobicContact CB-CD2 4.04Å; N31-Y34 PolarHBondContact O-N 3.49Å; N31-Y34 VanDerWaalsContact O-N 3.08Å; V32-Y34 PolarHBondContact O-N 2.86Å; V32-Y34 VanDerWaalsContact O-N 3.15Å; Y34-V36 VanDerWaalsContact C-N 3.33Å; Y34-E37 PolarHBondContact O-N 2.94Å; Y34-E38 PolarHBondContact O-N 3.47Å
35F95.2Very high94.1Very high0 Ų050.4 Ų50.40%027%0.265CS..Hα-helixtrans-66.8-39.3173.3-84-117.4000110.8P9 M24 D25 P27 N31 V32 E38 C39 F60P9-F35 HydrophobicContact CB-CD1 3.79Å; P9-F35 HydrophobicContact CB-CD2 4.47Å; P9-F35 HydrophobicContact CB-CE1 3.5Å; P9-F35 HydrophobicContact CB-CE2 4.18Å; P9-F35 HydrophobicContact CB-CG 4.3Å; P9-F35 HydrophobicContact CB-CZ 3.72Å; P9-F35 HydrophobicContact CG-CD1 4.37Å; P9-F35 HydrophobicContact CG-CE1 4.47Å; P9-F35 HydrophobicContact CG-CG 4.45Å; M24-F35 HydrophobicContact SD-CD1 4.22Å; D25-F35 VanDerWaalsContact O-CE1 3.31Å; D25-F35 WeakPolarHBondContact O-CE1 3.29Å; P27-F35 HydrophobicContact CB-CB 4.4Å; P27-F35 HydrophobicContact CB-CD1 4.07Å; P27-F35 HydrophobicContact CB-CD2 4.35Å; P27-F35 HydrophobicContact CB-CE1 4.4Å; P27-F35 HydrophobicContact CB-CG 4.02Å; P27-F35 HydrophobicContact CG-CB 4.12Å; P27-F35 HydrophobicContact CG-CD1 3.5Å; P27-F35 HydrophobicContact CG-CE1 3.99Å; P27-F35 HydrophobicContact CG-CG 3.84Å; N31-F35 WeakPolarHBondContact ND2-CE2 3.39Å; N31-F35 WeakPolarHBondContact O-CD2 3.5Å; N31-F35 PolarHBondContact O-N 3.46Å; V32-F35 WeakPolarHBondContact O-CB 3.42Å; V32-F35 PolarHBondContact O-N 2.97Å; F35-E38 PolarHBondContact O-N 3.44Å; F35-C39 VanDerWaalsContact O-CB 3.27Å; F35-C39 WeakPolarHBondContact O-CB 3.39Å; F35-C39 PolarHBondContact O-N 3.34Å; F35-C39 PolarHBondContact O-SG 2.97Å; F35-F60 HydrophobicContact CB-CZ 3.89Å
36V96.3Very high94.4Very high15 Ų1550.6 Ų50.69%0.09127%0.266CS..Hα-helixtrans-60.2-49.8172.6174.80000109.9V32 P33 Y34 E38 C39 S40 P59 F60 A63V32-V36 HydrophobicContact CG1-CG2 4.06Å; V32-V36 WeakPolarHBondContact O-CG2 3.47Å; V32-V36 PolarHBondContact O-N 2.99Å; P33-V36 PolarHBondContact O-N 3.33Å; Y34-V36 VanDerWaalsContact C-N 3.33Å; V36-E38 PolarHBondContact O-N 2.89Å; V36-C39 PolarHBondContact O-N 3.1Å; V36-S40 WeakPolarHBondContact O-CB 3.38Å; V36-S40 PolarHBondContact O-N 2.94Å; V36-S40 PolarHBondContact O-OG 3.35Å; V36-S40 VanDerWaalsContact O-OG 3.12Å; V36-P59 WeakPolarHBondContact CG1-O 3.3Å; V36-P59 HydrophobicContact CG2-CB 3.8Å; V36-F60 HydrophobicContact CG2-CB 4.42Å; V36-F60 HydrophobicContact CG2-CD1 3.79Å; V36-F60 HydrophobicContact CG2-CD2 3.79Å; V36-F60 HydrophobicContact CG2-CE1 3.92Å; V36-F60 HydrophobicContact CG2-CE2 3.93Å; V36-F60 HydrophobicContact CG2-CG 3.73Å; V36-F60 HydrophobicContact CG2-CZ 4Å; V36-A63 HydrophobicContact CG1-CB 3.44Å; V36-A63 VanDerWaalsContact CG1-CB 3.44Å
37E95.7Very high94.7Very high97 Ų9749.7 Ų49.745%0.45326%0.26SS..Hα-helixtrans-57.2-46.7179-166.5-164.915000112.1P33 Y34 S40 K41P33-E37 PolarHBondContact O-N 2.89Å; Y34-E37 PolarHBondContact O-N 2.94Å; E37-S40 PolarHBondContact O-N 3.05Å; E37-K41 WeakPolarHBondContact O-CG 3.47Å; E37-K41 PolarHBondContact O-N 3.4Å; E37-K41 WeakPolarHBondContact OE1-CE 2.92Å; E37-K41 IonicContact OE1-NZ 2.74Å; E37-K41 PolarHBondContact OE1-NZ 3.06Å
38E95.3Very high94.9Very high46 Ų4649.6 Ų49.622%0.21526%0.259CS..Hα-helixtrans-65.8-41.4176.2-80.6-56.9128.100112.7L8 P9 Y34 F35 V36 S40 K41 L42L8-E38 HydrophobicContact CD2-CG 4.36Å; P9-E38 HydrophobicContact CG-CB 3.79Å; P9-E38 HydrophobicContact CG-CG 3.88Å; Y34-E38 PolarHBondContact O-N 3.47Å; F35-E38 PolarHBondContact O-N 3.44Å; V36-E38 PolarHBondContact O-N 2.89Å; E38-S40 VanDerWaalsContact C-N 3.34Å; E38-S40 PolarHBondContact O-N 3.45Å; E38-K41 PolarHBondContact O-N 3.15Å; E38-K41 WeakPolarHBondContact OE1-CD 3.49Å; E38-K41 IonicContact OE1-NZ 2.92Å; E38-K41 PolarHBondContact OE1-NZ 3.26Å; E38-L42 WeakPolarHBondContact O-CB 3.26Å; E38-L42 WeakPolarHBondContact O-CG 3.2Å; E38-L42 PolarHBondContact O-N 3.41Å
39C96.3Very high95.1Very high0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-63.2-41175.9-71.50000111.4F35 V36 L42 N43 V44 F60 I65F35-C39 VanDerWaalsContact O-CB 3.27Å; F35-C39 WeakPolarHBondContact O-CB 3.39Å; F35-C39 PolarHBondContact O-N 3.34Å; F35-C39 PolarHBondContact O-SG 2.97Å; V36-C39 PolarHBondContact O-N 3.1Å; C39-L42 CarbonylContact O-C 3.54Å; C39-L42 PolarHBondContact O-N 3.32Å; C39-N43 PolarHBondContact O-N 2.87Å; C39-N43 VanDerWaalsContact O-N 3.12Å; C39-V44 HydrophobicContact CB-CB 3.86Å; C39-V44 HydrophobicContact CB-CG1 4.35Å; C39-V44 HydrophobicContact CB-CG2 3.96Å; C39-V44 WeakPolarHBondContact O-CB 3.43Å; C39-V44 PolarHBondContact O-N 3.05Å; C39-F60 HydrophobicContact CB-CE1 4.09Å; C39-I65 HydrophobicContact CB-CD1 3.65Å
40S95.5Very high95.3Very high51 Ų5140.6 Ų40.636%0.35721%0.214SC..Hα-helixtrans-62.7-43.6173.8-64.80000112.1V36 E37 E38 L42 N43V36-S40 WeakPolarHBondContact O-CB 3.38Å; V36-S40 PolarHBondContact O-N 2.94Å; V36-S40 PolarHBondContact O-OG 3.35Å; V36-S40 VanDerWaalsContact O-OG 3.12Å; E37-S40 PolarHBondContact O-N 3.05Å; E38-S40 VanDerWaalsContact C-N 3.34Å; E38-S40 PolarHBondContact O-N 3.45Å; S40-L42 VanDerWaalsContact C-N 3.27Å; S40-L42 PolarHBondContact O-N 3.32Å; S40-N43 PolarHBondContact O-N 3.49Å
41K95Very high95.2Very high116 Ų11635 Ų3550%0.50418%0.18SC..Hα-helixtrans-60.3-37.3175.4-74.3171.3-170.5161.70112.6E37 E38 N43E37-K41 WeakPolarHBondContact O-CG 3.47Å; E37-K41 PolarHBondContact O-N 3.4Å; E37-K41 WeakPolarHBondContact OE1-CE 2.92Å; E37-K41 IonicContact OE1-NZ 2.74Å; E37-K41 PolarHBondContact OE1-NZ 3.06Å; E38-K41 PolarHBondContact O-N 3.15Å; E38-K41 WeakPolarHBondContact OE1-CD 3.49Å; E38-K41 IonicContact OE1-NZ 2.92Å; E38-K41 PolarHBondContact OE1-NZ 3.26Å; K41-N43 PolarHBondContact O-N 3.07Å
42L95.5Very high95.1Very high54 Ų5437 Ų3728%0.28319%0.188SC..THydrogen-bonded Turntrans-80.50176.7-67.1172.7000113.1I11 I22 E38 C39 S40 V44 P112I11-L42 HydrophobicContact CD1-CD1 4.23Å; I11-L42 HydrophobicContact CG1-CD1 4.31Å; I11-L42 HydrophobicContact CG2-CD1 4.26Å; I22-L42 HydrophobicContact CD1-CD1 4.36Å; E38-L42 WeakPolarHBondContact O-CB 3.26Å; E38-L42 WeakPolarHBondContact O-CG 3.2Å; E38-L42 PolarHBondContact O-N 3.41Å; C39-L42 CarbonylContact O-C 3.54Å; C39-L42 PolarHBondContact O-N 3.32Å; S40-L42 VanDerWaalsContact C-N 3.27Å; S40-L42 PolarHBondContact O-N 3.32Å; L42-V44 HydrophobicContact CB-CG2 4.02Å; L42-V44 PolarHBondContact O-N 2.9Å; L42-P112 WeakPolarHBondContact O-CD 3.48Å; L42-P112 WeakPolarHBondContact O-CG 3.39Å
43N95.8Very high94.7Very high121 Ų12141.4 Ų41.465%0.64721%0.212SC*.THydrogen-bonded Turntrans53.135.6-173.4-56.7-67.3000112.8C39 S40 K41 S45 G111 P112C39-N43 PolarHBondContact O-N 2.87Å; C39-N43 VanDerWaalsContact O-N 3.12Å; S40-N43 PolarHBondContact O-N 3.49Å; K41-N43 PolarHBondContact O-N 3.07Å; N43-S45 PolarHBondContact O-N 3Å; N43-G111 VanDerWaalsContact O-CA 3.23Å; N43-G111 WeakPolarHBondContact O-CA 3.35Å; N43-P112 WeakPolarHBondContact O-CD 3.44Å
44V97Very high94.4Very high7 Ų742.8 Ų42.84%0.04221%0.207CC..  trans-56.9127.9175171.40000108.6C39 L42 D46 V47 I65 P112 A114C39-V44 HydrophobicContact CB-CB 3.86Å; C39-V44 HydrophobicContact CB-CG1 4.35Å; C39-V44 HydrophobicContact CB-CG2 3.96Å; C39-V44 WeakPolarHBondContact O-CB 3.43Å; C39-V44 PolarHBondContact O-N 3.05Å; L42-V44 HydrophobicContact CB-CG2 4.02Å; L42-V44 PolarHBondContact O-N 2.9Å; V44-D46 VanDerWaalsContact CG1-O 3.22Å; V44-D46 WeakPolarHBondContact CG1-O 3.3Å; V44-V47 HydrophobicContact CG1-CG2 4.02Å; V44-I65 HydrophobicContact CG1-CG2 4.15Å; V44-P112 WeakPolarHBondContact CA-O 3.42Å; V44-P112 HydrophobicContact CG2-CG 4.04Å; V44-A114 HydrophobicContact CG1-CB 3.72Å; V44-A114 HydrophobicContact CG2-CB 4.24Å
45S96.2Very high94.4Very high11 Ų1139.5 Ų39.58%0.07719%0.194CC..  trans-87.6-44179.3490000111.6N43 C66 R93 G111 P112N43-S45 PolarHBondContact O-N 3Å; S45-C66 PolarHBondContact O-N 3.35Å; S45-R93 VanDerWaalsContact CB-CZ 3.43Å; S45-R93 WeakPolarHBondContact OG-CD 3.37Å; S45-G111 PolarHBondContact OG-O 3.28Å; S45-P112 PolarHBondContact N-O 2.89Å; S45-P112 PolarHBondContact OG-O 3.49Å
46D98.1Very high94.3Very high10 Ų1042.1 Ų42.15%0.05321%0.211CC..EExtended strand (participates in β ladder)trans-134.4143-174.1-60.2-101.1000110.8V44 C66 H68 L89 R93 I113 A114V44-D46 VanDerWaalsContact CG1-O 3.22Å; V44-D46 WeakPolarHBondContact CG1-O 3.3Å; D46-C66 CarbonylContact C-O 3.55Å; D46-C66 VanDerWaalsContact CA-O 3.24Å; D46-C66 WeakPolarHBondContact CA-O 3.47Å; D46-C66 VanDerWaalsContact OD1-CB 3.29Å; D46-C66 WeakPolarHBondContact OD1-CB 3.37Å; D46-H68 IonicContact OD1-CD2 3.43Å; D46-H68 IonicContact OD1-CE1 3.5Å; D46-H68 IonicContact OD1-NE2 3.99Å; D46-H68 PolarHBondContact OD1-NE2 3.35Å; D46-L89 HydrophobicContact CB-CD2 4.37Å; D46-R93 WeakPolarHBondContact OD2-CD 3.3Å; D46-I113 HydrophobicContact CB-CG1 4.08Å; D46-I113 HydrophobicContact CB-CG2 4.06Å; D46-A114 PolarHBondContact O-N 2.91Å
47V97.4Very high94.3Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-115.6116.6170.9172.60000108.9M24 V44 R49 F60 I65 C66 V67 H68 A114M24-V47 HydrophobicContact CE-CG1 3.73Å; M24-V47 HydrophobicContact CE-CG2 4.08Å; V44-V47 HydrophobicContact CG1-CG2 4.02Å; V47-R49 HydrophobicContact CG1-CG 4.25Å; V47-F60 HydrophobicContact CG2-CD1 3.88Å; V47-F60 HydrophobicContact CG2-CE1 3.85Å; V47-I65 HydrophobicContact CB-CG2 4.4Å; V47-I65 HydrophobicContact CG2-CG2 3.65Å; V47-C66 PolarHBondContact N-O 2.74Å; V47-V67 HydrophobicContact CB-CG2 4.45Å; V47-V67 CarbonylContact O-C 3.43Å; V47-V67 WeakPolarHBondContact O-CA 3.37Å; V47-H68 PolarHBondContact O-N 3.33Å; V47-A114 CarbonylContact C-O 3.46Å; V47-A114 WeakPolarHBondContact CA-O 3.46Å; V47-A114 HydrophobicContact CG2-CB 4.14Å
48V97.3Very high94.3Very high0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-100.1120.4176.1-179.10000109.7V50 H68 W70 W86 L89 I113 A114 V115 H116 L127V48-V50 HydrophobicContact CG1-CG1 3.97Å; V48-H68 HydrophobicContact CG2-CB 4.26Å; V48-W70 HydrophobicContact CB-CZ3 4.49Å; V48-W70 HydrophobicContact CG1-CD2 4.09Å; V48-W70 HydrophobicContact CG1-CE3 3.33Å; V48-W70 HydrophobicContact CG1-CZ3 3.68Å; V48-W70 HydrophobicContact CG2-CE3 4.37Å; V48-W70 HydrophobicContact CG2-CH2 4.34Å; V48-W70 HydrophobicContact CG2-CZ3 3.91Å; V48-W86 HydrophobicContact CG2-CE3 4.45Å; V48-W86 HydrophobicContact CG2-CZ3 3.95Å; V48-L89 HydrophobicContact CG2-CD2 3.71Å; V48-I113 HydrophobicContact CG2-CG2 3.85Å; V48-A114 PolarHBondContact N-O 3.31Å; V48-V115 HydrophobicContact CB-CG1 4.25Å; V48-V115 HydrophobicContact CB-CG2 4.33Å; V48-V115 HydrophobicContact CG1-CG1 4.35Å; V48-V115 WeakPolarHBondContact O-CA 3.17Å; V48-H116 PolarHBondContact O-N 3.09Å; V48-L127 HydrophobicContact CG1-CD1 4.5Å
49R95.6Very high94.4Very high20 Ų2042.7 Ų42.78%0.07522%0.218CC..EExtended strand (participates in β ladder)trans-104.1118.8-179.8-39.4-171.7-82.5162.1-1.7108.4V47 D53 Y55 V67 H68 W70 H116V47-R49 HydrophobicContact CG1-CG 4.25Å; R49-D53 IonicContact CZ-OD1 3.15Å; R49-D53 IonicContact NE-OD1 3.14Å; R49-D53 IonicContact NH1-OD1 3.84Å; R49-D53 PolarHBondContact NH1-OD1 3.34Å; R49-D53 IonicContact NH2-OD1 3.99Å; R49-D53 PolarHBondContact NH2-OD1 3.39Å; R49-Y55 VanDerWaalsContact CD-OH 3.24Å; R49-Y55 WeakPolarHBondContact CD-OH 3.47Å; R49-V67 HydrophobicContact CG-CG1 3.84Å; R49-H68 PolarHBondContact N-O 2.98Å; R49-W70 CarbonylContact O-C 3.47Å; R49-W70 PolarHBondContact O-N 3.05Å; R49-H116 VanDerWaalsContact CG-NE2 3.26Å; R49-H116 WeakPolarHBondContact CG-NE2 3.36Å
50V93.8Very high94.5Very high0 Ų042.7 Ų42.70%022%0.218CC..  trans-113.119-178.3-58.90000114V48 W70 F72 V115 H116 C117 R123 A124 L127V48-V50 HydrophobicContact CG1-CG1 3.97Å; V50-W70 WeakPolarHBondContact CA-O 3.39Å; V50-F72 HydrophobicContact CB-CD1 4Å; V50-F72 HydrophobicContact CB-CE1 3.59Å; V50-F72 HydrophobicContact CB-CZ 4.49Å; V50-F72 HydrophobicContact CG1-CD1 4.38Å; V50-F72 HydrophobicContact CG1-CE1 3.81Å; V50-F72 HydrophobicContact CG2-CE1 4.2Å; V50-V115 HydrophobicContact CG1-CG1 4.47Å; V50-H116 VanDerWaalsContact CG2-O 3.27Å; V50-H116 WeakPolarHBondContact CG2-O 3.33Å; V50-H116 PolarHBondContact N-O 2.86Å; V50-C117 HydrophobicContact CG2-CB 3.81Å; V50-R123 HydrophobicContact CB-CB 4.37Å; V50-R123 HydrophobicContact CG2-CB 3.51Å; V50-R123 WeakPolarHBondContact O-CD 3.15Å; V50-R123 PolarHBondContact O-NH1 3.27Å; V50-A124 HydrophobicContact CG2-CB 4.36Å; V50-L127 HydrophobicContact CG1-CD1 3.54Å
51C90.7Very high94.6Very high1 Ų145 Ų451%0.00722%0.223CC..SBendtrans-137.9172.2173.664.60000110.5H69 C117 I118C51-H69 PolarHBondContact O-NE2 3.44Å; C51-C117 PolarHBondContact SG-O 2.99Å; C51-I118 HydrophobicContact CB-CG1 3.94Å
52E88.1Confident94.7Very high64 Ų6446.1 Ų46.130%0.29924%0.235SC..  trans-45.9142.7178.3-37.677.8-131.900113.2R54 E71 R123E52-R54 WeakPolarHBondContact O-CG 3.32Å; E52-R54 PolarHBondContact O-N 3.23Å; E52-R54 IonicContact OE2-CZ 3Å; E52-R54 IonicContact OE2-NE 3.84Å; E52-R54 IonicContact OE2-NH2 2.96Å; E52-R54 PolarHBondContact OE2-NH2 3.45Å; E52-E71 WeakPolarHBondContact CA-OE2 3.48Å; E52-R123 IonicContact OE1-CZ 2.8Å; E52-R123 IonicContact OE1-NH1 3.77Å; E52-R123 PolarHBondContact OE1-NH1 2.66Å; E52-R123 IonicContact OE1-NH2 3.61Å
53D86.7Confident94.7Very high95 Ų9545.6 Ų45.651%0.50824%0.238SC..  trans-62.5117.7178.3-81.4-36.5000112.4R49 H69R49-D53 IonicContact CZ-OD1 3.15Å; R49-D53 IonicContact NE-OD1 3.14Å; R49-D53 IonicContact NH1-OD1 3.84Å; R49-D53 PolarHBondContact NH1-OD1 3.34Å; R49-D53 IonicContact NH2-OD1 3.99Å; R49-D53 PolarHBondContact NH2-OD1 3.39Å; D53-H69 VanDerWaalsContact CG-ND1 3.26Å; D53-H69 IonicContact OD1-CE1 3.11Å; D53-H69 PolarHBondContact OD1-CE1 3.05Å; D53-H69 IonicContact OD1-CG 3.77Å; D53-H69 IonicContact OD1-ND1 2.76Å; D53-H69 PolarHBondContact OD1-ND1 3.42Å; D53-H69 VanDerWaalsContact OD1-ND1 3.09Å; D53-H69 IonicContact OD1-NE2 3.7Å; D53-H69 IonicContact OD2-CE1 3.67Å; D53-H69 PolarHBondContact OD2-CE1 2.92Å; D53-H69 IonicContact OD2-ND1 2.78Å; D53-H69 PolarHBondContact OD2-ND1 3.35Å
54R88.1Confident94.7Very high107 Ų10743 Ų4340%0.40424%0.239SC..  trans-119-10.1-178-71.5168.3-172.1-108.1-3.3113.9K29 E52 I118K29-R54 WeakPolarHBondContact CG-O 3.38Å; E52-R54 WeakPolarHBondContact O-CG 3.32Å; E52-R54 PolarHBondContact O-N 3.23Å; E52-R54 IonicContact OE2-CZ 3Å; E52-R54 IonicContact OE2-NE 3.84Å; E52-R54 IonicContact OE2-NH2 2.96Å; E52-R54 PolarHBondContact OE2-NH2 3.45Å; R54-I118 VanDerWaalsContact NH2-CD1 3.31Å
55Y92.7Very high94.7Very high14 Ų1442.9 Ų42.96%0.05524%0.238CC..SBendtrans-154.8153.3-170.870-93000112.5P27 V32 R49 F60 H116P27-Y55 HydrophobicContact CB-CD1 3.85Å; P27-Y55 HydrophobicContact CB-CD2 4.32Å; P27-Y55 HydrophobicContact CB-CE1 4.04Å; P27-Y55 HydrophobicContact CB-CG 4Å; P27-Y55 HydrophobicContact CG-CD1 3.94Å; P27-Y55 HydrophobicContact CG-CD2 4.39Å; P27-Y55 HydrophobicContact CG-CE1 3.58Å; P27-Y55 HydrophobicContact CG-CE2 4.1Å; P27-Y55 HydrophobicContact CG-CG 4.33Å; V32-Y55 HydrophobicContact CG1-CD2 4.29Å; V32-Y55 VanDerWaalsContact CG2-CB 3.41Å; V32-Y55 HydrophobicContact CG2-CD2 3.6Å; V32-Y55 HydrophobicContact CG2-CG 3.71Å; R49-Y55 VanDerWaalsContact CD-OH 3.24Å; R49-Y55 WeakPolarHBondContact CD-OH 3.47Å; Y55-F60 HydrophobicContact CD2-CE2 4.24Å; Y55-F60 AromaticContact CE2-CD2 3.78Å; Y55-F60 HydrophobicContact CE2-CD2 3.78Å; Y55-F60 AromaticContact CE2-CE2 3.45Å; Y55-F60 HydrophobicContact CE2-CE2 3.45Å; Y55-F60 VanDerWaalsContact CE2-CE2 3.45Å; Y55-H116 AromaticContact CE1-CE1 3.65Å; Y55-H116 AromaticContact CE1-NE2 3.67Å; Y55-H116 AromaticContact CZ-NE2 3.73Å; Y55-H116 PolarHBondContact OH-NE2 2.83Å
56P93.8Very high94.8Very high55 Ų5545.7 Ų45.736%0.35726%0.257SS..  trans-66.7137.6176.826-33.8000111.9E58 P59P56-E58 VanDerWaalsContact CA-OE2 3.32Å; P56-E58 WeakPolarHBondContact CA-OE2 3.47Å; P56-E58 WeakPolarHBondContact CB-OE2 3.16Å; P56-P59 HydrophobicContact CG-CG 4.38Å; P56-P59 WeakPolarHBondContact O-CD 3.4Å
57V95.7Very high94.7Very high25 Ų2546.3 Ų46.315%0.15226%0.261CS..SBendtrans-83.3-23.8179-63.90000113.2P59 F60 E61 V67V57-P59 VanDerWaalsContact C-N 3.28Å; V57-P59 VanDerWaalsContact O-N 3.15Å; V57-F60 WeakPolarHBondContact O-CA 3.45Å; V57-F60 WeakPolarHBondContact O-CB 3.21Å; V57-F60 PolarHBondContact O-N 3.27Å; V57-E61 PolarHBondContact O-N 2.72Å; V57-E61 VanDerWaalsContact O-N 3.1Å; V57-V67 HydrophobicContact CB-CB 4.23Å; V57-V67 HydrophobicContact CB-CG1 4.32Å; V57-V67 HydrophobicContact CB-CG2 4.21Å; V57-V67 HydrophobicContact CG1-CB 4.14Å; V57-V67 HydrophobicContact CG1-CG1 3.73Å; V57-V67 HydrophobicContact CG1-CG2 4.48Å
58E97.1Very high94.7Very high104 Ų10448.5 Ų48.549%0.48627%0.272SS..Hα-helixtrans-53.4-38.6-173.6-57.986.5159.100112.4P56 F60 E61 N62P56-E58 VanDerWaalsContact CA-OE2 3.32Å; P56-E58 WeakPolarHBondContact CA-OE2 3.47Å; P56-E58 WeakPolarHBondContact CB-OE2 3.16Å; E58-F60 VanDerWaalsContact C-N 3.32Å; E58-F60 PolarHBondContact O-N 3.5Å; E58-E61 PolarHBondContact O-N 3.29Å; E58-N62 WeakPolarHBondContact O-CB 3.18Å; E58-N62 PolarHBondContact O-N 3.2Å; E58-N62 PolarHBondContact O-ND2 3.06Å; E58-N62 VanDerWaalsContact O-ND2 3.11Å
59P96.8Very high94.6Very high41 Ų4151.6 Ų51.627%0.26629%0.286SS..Hα-helixtrans-60-35.7174-27.238.3000114.6V32 V36 P56 V57 A63V32-P59 HydrophobicContact CG1-CB 3.69Å; V32-P59 HydrophobicContact CG1-CG 3.81Å; V36-P59 WeakPolarHBondContact CG1-O 3.3Å; V36-P59 HydrophobicContact CG2-CB 3.8Å; P56-P59 HydrophobicContact CG-CG 4.38Å; P56-P59 WeakPolarHBondContact O-CD 3.4Å; V57-P59 VanDerWaalsContact C-N 3.28Å; V57-P59 VanDerWaalsContact O-N 3.15Å; P59-A63 PolarHBondContact O-N 3.5Å
60F97.3Very high94.6Very high0 Ų052 Ų520%029%0.288CS..Hα-helixtrans-73.5-45.9175.4-78-83.1000110.9P27 V32 F35 V36 C39 V47 Y55 V57 E58 N62 A63 G64 I65 V67P27-F60 HydrophobicContact CG-CE2 4.29Å; P27-F60 HydrophobicContact CG-CZ 4.31Å; V32-F60 HydrophobicContact CG1-CD2 4.27Å; V32-F60 HydrophobicContact CG1-CE2 3.98Å; F35-F60 HydrophobicContact CB-CZ 3.89Å; V36-F60 HydrophobicContact CG2-CB 4.42Å; V36-F60 HydrophobicContact CG2-CD1 3.79Å; V36-F60 HydrophobicContact CG2-CD2 3.79Å; V36-F60 HydrophobicContact CG2-CE1 3.92Å; V36-F60 HydrophobicContact CG2-CE2 3.93Å; V36-F60 HydrophobicContact CG2-CG 3.73Å; V36-F60 HydrophobicContact CG2-CZ 4Å; C39-F60 HydrophobicContact CB-CE1 4.09Å; V47-F60 HydrophobicContact CG2-CD1 3.88Å; V47-F60 HydrophobicContact CG2-CE1 3.85Å; Y55-F60 HydrophobicContact CD2-CE2 4.24Å; Y55-F60 AromaticContact CE2-CD2 3.78Å; Y55-F60 HydrophobicContact CE2-CD2 3.78Å; Y55-F60 AromaticContact CE2-CE2 3.45Å; Y55-F60 HydrophobicContact CE2-CE2 3.45Å; Y55-F60 VanDerWaalsContact CE2-CE2 3.45Å; V57-F60 WeakPolarHBondContact O-CA 3.45Å; V57-F60 WeakPolarHBondContact O-CB 3.21Å; V57-F60 PolarHBondContact O-N 3.27Å; E58-F60 VanDerWaalsContact C-N 3.32Å; E58-F60 PolarHBondContact O-N 3.5Å; F60-N62 VanDerWaalsContact C-N 3.34Å; F60-N62 PolarHBondContact O-N 2.96Å; F60-A63 CarbonylContact O-C 3.51Å; F60-A63 WeakPolarHBondContact O-CA 3.37Å; F60-A63 WeakPolarHBondContact O-CB 3.33Å; F60-A63 PolarHBondContact O-N 3.45Å; F60-G64 PolarHBondContact O-N 3.15Å; F60-I65 CarbonylContact C-O 3.57Å; F60-I65 HydrophobicContact CB-CB 4.22Å; F60-I65 HydrophobicContact CD1-CB 4.28Å; F60-I65 HydrophobicContact CD1-CD1 3.94Å; F60-I65 HydrophobicContact CD1-CG2 4.12Å; F60-I65 WeakPolarHBondContact O-CB 3.38Å; F60-I65 PolarHBondContact O-N 3.04Å; F60-V67 HydrophobicContact CB-CG2 3.47Å; F60-V67 VanDerWaalsContact CB-CG2 3.47Å; F60-V67 HydrophobicContact CG-CG2 4.13Å
61E97.4Very high94.6Very high99 Ų9956.9 Ų56.946%0.46331%0.31SS..Hα-helixtrans-63.4-40.9-179.3-65177.5158.100111.6V57 E58 A63 G64 I65 V67V57-E61 PolarHBondContact O-N 2.72Å; V57-E61 VanDerWaalsContact O-N 3.1Å; E58-E61 PolarHBondContact O-N 3.29Å; E61-A63 PolarHBondContact O-N 2.94Å; E61-G64 WeakPolarHBondContact O-CA 3.39Å; E61-G64 PolarHBondContact O-N 3.38Å; E61-I65 WeakPolarHBondContact CA-O 3.25Å; E61-V67 HydrophobicContact CG-CG2 4.29Å
62N97.3Very high94.6Very high141 Ų14157.4 Ų57.475%0.75431%0.312SS*.THydrogen-bonded Turntrans-63.4-23.7174-71.6-25.4000113E58 F60 G64E58-N62 WeakPolarHBondContact O-CB 3.18Å; E58-N62 PolarHBondContact O-N 3.2Å; E58-N62 PolarHBondContact O-ND2 3.06Å; E58-N62 VanDerWaalsContact O-ND2 3.11Å; F60-N62 VanDerWaalsContact C-N 3.34Å; F60-N62 PolarHBondContact O-N 2.96Å; N62-G64 VanDerWaalsContact C-N 3.3Å
63A96.5Very high94.6Very high43 Ų4357.9 Ų57.936%0.35532%0.323SS..THydrogen-bonded Turntrans-88.65.5173.300000113V36 P59 F60 E61 I65V36-A63 HydrophobicContact CG1-CB 3.44Å; V36-A63 VanDerWaalsContact CG1-CB 3.44Å; P59-A63 PolarHBondContact O-N 3.5Å; F60-A63 CarbonylContact O-C 3.51Å; F60-A63 WeakPolarHBondContact O-CA 3.37Å; F60-A63 WeakPolarHBondContact O-CB 3.33Å; F60-A63 PolarHBondContact O-N 3.45Å; E61-A63 PolarHBondContact O-N 2.94Å; A63-I65 HydrophobicContact CB-CD1 4.38Å; A63-I65 HydrophobicContact CB-CG1 4.47Å
64G95.7Very high94.4Very high65 Ų6558.6 Ų58.667%0.6733%0.327SS*.THydrogen-bonded Turntrans79.317.2-179.500000114.4F60 E61 N62F60-G64 PolarHBondContact O-N 3.15Å; E61-G64 WeakPolarHBondContact O-CA 3.39Å; E61-G64 PolarHBondContact O-N 3.38Å; N62-G64 VanDerWaalsContact C-N 3.3Å
65I97.2Very high93.9Very high5 Ų554 Ų543%0.02631%0.312CS..  trans-100.7120.2-179.7-56172.5000108.7C39 V44 V47 F60 E61 A63C39-I65 HydrophobicContact CB-CD1 3.65Å; V44-I65 HydrophobicContact CG1-CG2 4.15Å; V47-I65 HydrophobicContact CB-CG2 4.4Å; V47-I65 HydrophobicContact CG2-CG2 3.65Å; F60-I65 CarbonylContact C-O 3.57Å; F60-I65 HydrophobicContact CB-CB 4.22Å; F60-I65 HydrophobicContact CD1-CB 4.28Å; F60-I65 HydrophobicContact CD1-CD1 3.94Å; F60-I65 HydrophobicContact CD1-CG2 4.12Å; F60-I65 WeakPolarHBondContact O-CB 3.38Å; F60-I65 PolarHBondContact O-N 3.04Å; E61-I65 WeakPolarHBondContact CA-O 3.25Å; A63-I65 HydrophobicContact CB-CD1 4.38Å; A63-I65 HydrophobicContact CB-CG1 4.47Å
66C97.1Very high93.4Very high70 Ų7054.1 Ų54.147%0.47332%0.315SS..EExtended strand (participates in β ladder)trans-72.7134.1178.5-67.40000110.5S45 D46 V47S45-C66 PolarHBondContact O-N 3.35Å; D46-C66 CarbonylContact C-O 3.55Å; D46-C66 VanDerWaalsContact CA-O 3.24Å; D46-C66 WeakPolarHBondContact CA-O 3.47Å; D46-C66 VanDerWaalsContact OD1-CB 3.29Å; D46-C66 WeakPolarHBondContact OD1-CB 3.37Å; V47-C66 PolarHBondContact N-O 2.74Å
67V96.9Very high93.2Very high23 Ų2353.7 Ų53.714%0.13931%0.313CS..EExtended strand (participates in β ladder)trans-114.1125.5-180-1720000110.8V47 R49 V57 F60 E61V47-V67 HydrophobicContact CB-CG2 4.45Å; V47-V67 CarbonylContact O-C 3.43Å; V47-V67 WeakPolarHBondContact O-CA 3.37Å; R49-V67 HydrophobicContact CG-CG1 3.84Å; V57-V67 HydrophobicContact CB-CB 4.23Å; V57-V67 HydrophobicContact CB-CG1 4.32Å; V57-V67 HydrophobicContact CB-CG2 4.21Å; V57-V67 HydrophobicContact CG1-CB 4.14Å; V57-V67 HydrophobicContact CG1-CG1 3.73Å; V57-V67 HydrophobicContact CG1-CG2 4.48Å; F60-V67 HydrophobicContact CB-CG2 3.47Å; F60-V67 VanDerWaalsContact CB-CG2 3.47Å; F60-V67 HydrophobicContact CG-CG2 4.13Å; E61-V67 HydrophobicContact CG-CG2 4.29Å
68H97.1Very high93Very high46 Ų4652.9 Ų52.921%0.21331%0.308CS..EExtended strand (participates in β ladder)trans-111.5126.9179.6-55.6-86.7000109.8D46 V47 V48 R49 W70D46-H68 IonicContact OD1-CD2 3.43Å; D46-H68 IonicContact OD1-CE1 3.5Å; D46-H68 IonicContact OD1-NE2 3.99Å; D46-H68 PolarHBondContact OD1-NE2 3.35Å; V47-H68 PolarHBondContact O-N 3.33Å; V48-H68 HydrophobicContact CG2-CB 4.26Å; R49-H68 PolarHBondContact N-O 2.98Å; H68-W70 HydrophobicContact CB-CD2 4.18Å; H68-W70 HydrophobicContact CB-CH2 4.36Å; H68-W70 HydrophobicContact CB-CZ2 3.8Å; H68-W70 AromaticContact CG-CZ2 3.9Å; H68-W70 AromaticContact ND1-CZ2 3.83Å
69H95.6Very high92.9Very high65 Ų6550.3 Ų50.330%0.30130%0.3SS..EExtended strand (participates in β ladder)trans-107.2106177-169.3-174.9000111.1C51 D53 E71C51-H69 PolarHBondContact O-NE2 3.44Å; D53-H69 VanDerWaalsContact CG-ND1 3.26Å; D53-H69 IonicContact OD1-CE1 3.11Å; D53-H69 PolarHBondContact OD1-CE1 3.05Å; D53-H69 IonicContact OD1-CG 3.77Å; D53-H69 IonicContact OD1-ND1 2.76Å; D53-H69 PolarHBondContact OD1-ND1 3.42Å; D53-H69 VanDerWaalsContact OD1-ND1 3.09Å; D53-H69 IonicContact OD1-NE2 3.7Å; D53-H69 IonicContact OD2-CE1 3.67Å; D53-H69 PolarHBondContact OD2-CE1 2.92Å; D53-H69 IonicContact OD2-ND1 2.78Å; D53-H69 PolarHBondContact OD2-ND1 3.35Å; H69-E71 IonicContact NE2-OE2 3.58Å
70W95.1Very high92.7Very high30 Ų3053 Ų5311%0.11431%0.309CS..  trans-128.562.8-174.2-64.4-19.1000110.8V48 R49 V50 H68 I82 E85 W86 L89V48-W70 HydrophobicContact CB-CZ3 4.49Å; V48-W70 HydrophobicContact CG1-CD2 4.09Å; V48-W70 HydrophobicContact CG1-CE3 3.33Å; V48-W70 HydrophobicContact CG1-CZ3 3.68Å; V48-W70 HydrophobicContact CG2-CE3 4.37Å; V48-W70 HydrophobicContact CG2-CH2 4.34Å; V48-W70 HydrophobicContact CG2-CZ3 3.91Å; R49-W70 CarbonylContact O-C 3.47Å; R49-W70 PolarHBondContact O-N 3.05Å; V50-W70 WeakPolarHBondContact CA-O 3.39Å; H68-W70 HydrophobicContact CB-CD2 4.18Å; H68-W70 HydrophobicContact CB-CH2 4.36Å; H68-W70 HydrophobicContact CB-CZ2 3.8Å; H68-W70 AromaticContact CG-CZ2 3.9Å; H68-W70 AromaticContact ND1-CZ2 3.83Å; W70-I82 HydrophobicContact CB-CD1 3.5Å; W70-I82 VanDerWaalsContact CB-CD1 3.5Å; W70-I82 HydrophobicContact CB-CG2 4.06Å; W70-I82 HydrophobicContact CE3-CG2 4.46Å; W70-I82 HydrophobicContact CG-CD1 3.97Å; W70-E85 HydrophobicContact CD2-CB 4.37Å; W70-E85 HydrophobicContact CH2-CB 4.16Å; W70-E85 HydrophobicContact CZ2-CB 3.75Å; W70-W86 HydrophobicContact CH2-CE3 4.34Å; W70-W86 HydrophobicContact CZ3-CB 3.99Å; W70-W86 HydrophobicContact CZ3-CD2 4.43Å; W70-W86 AromaticContact CZ3-CE3 3.74Å; W70-W86 HydrophobicContact CZ3-CE3 3.74Å; W70-L89 HydrophobicContact CH2-CB 3.81Å; W70-L89 HydrophobicContact CH2-CD2 3.55Å; W70-L89 HydrophobicContact CH2-CG 4.31Å; W70-L89 HydrophobicContact CZ2-CD2 4.39Å; W70-L89 HydrophobicContact CZ3-CD2 4.2Å
71E92.9Very high92.7Very high101 Ų10157.9 Ų57.947%0.47234%0.335SS..  trans-61.8135.3-179-168.2-179.8145.200112.2E52 H69E52-E71 WeakPolarHBondContact CA-OE2 3.48Å; H69-E71 IonicContact NE2-OE2 3.58Å
72F92Very high92.6Very high12 Ų1253.7 Ų53.75%0.05332%0.316CS..  trans-145.8159.5164.864.8-86.5000111.4V50 S76 P78 P79 I82 R123 L127V50-F72 HydrophobicContact CB-CD1 4Å; V50-F72 HydrophobicContact CB-CE1 3.59Å; V50-F72 HydrophobicContact CB-CZ 4.49Å; V50-F72 HydrophobicContact CG1-CD1 4.38Å; V50-F72 HydrophobicContact CG1-CE1 3.81Å; V50-F72 HydrophobicContact CG2-CE1 4.2Å; F72-S76 WeakPolarHBondContact CE2-O 3.32Å; F72-P78 HydrophobicContact CE1-CB 4.15Å; F72-P78 HydrophobicContact CE2-CB 4.15Å; F72-P78 HydrophobicContact CZ-CB 3.91Å; F72-P79 HydrophobicContact CB-CG 4.19Å; F72-I82 HydrophobicContact CD1-CG2 4.39Å; F72-R123 HydrophobicContact CD2-CG 4.13Å; F72-R123 HydrophobicContact CE1-CB 4.08Å; F72-R123 HydrophobicContact CE1-CG 4.46Å; F72-R123 HydrophobicContact CE2-CB 3.82Å; F72-R123 HydrophobicContact CE2-CG 3.5Å; F72-R123 VanDerWaalsContact CE2-CG 3.5Å; F72-R123 HydrophobicContact CZ-CB 3.44Å; F72-R123 VanDerWaalsContact CZ-CB 3.44Å; F72-R123 HydrophobicContact CZ-CG 3.7Å; F72-R123 WeakPolarHBondContact O-CD 3.49Å; F72-R123 PolarHBondContact O-NH1 3.03Å; F72-L127 HydrophobicContact CE1-CD1 4.48Å; F72-L127 HydrophobicContact CE1-CG 4.45Å
73S87.2Confident92.5Very high74 Ų7447.1 Ų47.152%0.51728%0.28SS..  trans-58.1141.5-170.961.40000114S76S73-S76 WeakPolarHBondContact O-CB 3.28Å; S73-S76 PolarHBondContact O-N 2.98Å; S73-S76 WeakPolarHBondContact OG-CB 3.28Å; S73-S76 PolarHBondContact OG-OG 2.89Å
74D82.4Confident92.5Very high111 Ų11148 Ų4859%0.59428%0.282SS*.THydrogen-bonded Turntrans-65.6142.5-178.3-164.539.9000112.9S76 R123D74-S76 PolarHBondContact O-N 3.39Å; D74-R123 IonicContact OD1-CZ 3.17Å; D74-R123 IonicContact OD1-NE 3.44Å; D74-R123 PolarHBondContact OD1-NE 3.15Å; D74-R123 VanDerWaalsContact OD1-NE 3.11Å; D74-R123 IonicContact OD1-NH2 2.76Å
75G78.7Confident92.6Very high9 Ų949.6 Ų49.69%0.09327%0.272CS..THydrogen-bonded Turntrans65.6-3.9-17700000115.7R157G75-R157 WeakPolarHBondContact O-CD 3.49Å; G75-R157 PolarHBondContact O-NH1 3.49Å
76S82.5Confident92.6Very high18 Ų1849.3 Ų49.313%0.12627%0.27CS..SBendtrans-88.5158.8173-63.10000111.3F72 S73 D74 R157F72-S76 WeakPolarHBondContact CE2-O 3.32Å; S73-S76 WeakPolarHBondContact O-CB 3.28Å; S73-S76 PolarHBondContact O-N 2.98Å; S73-S76 WeakPolarHBondContact OG-CB 3.28Å; S73-S76 PolarHBondContact OG-OG 2.89Å; D74-S76 PolarHBondContact O-N 3.39Å; S76-R157 PolarHBondContact OG-NH1 3.29Å
77P87.9Confident92.5Very high46 Ų4646.1 Ų46.130%0.29925%0.248SC..PPolyproline II helixtrans-66.3156.8167.129.9-36000111.8Y161P77-Y161 HydrophobicContact CB-CD1 3.86Å; P77-Y161 HydrophobicContact CB-CD2 3.32Å; P77-Y161 HydrophobicContact CB-CE1 3.99Å; P77-Y161 HydrophobicContact CB-CE2 3.44Å; P77-Y161 VanDerWaalsContact CB-CE2 3.44Å; P77-Y161 HydrophobicContact CB-CG 3.53Å; P77-Y161 HydrophobicContact CG-CD2 4.01Å; P77-Y161 HydrophobicContact CG-CE2 4.31Å; P77-Y161 HydrophobicContact CG-CG 4.43Å
78P92.8Very high92.4Very high7 Ų747.1 Ų47.15%0.04525%0.254CS..PPolyproline II helixtrans-64136172.828.5-35.2000110F72 L83 V126 L127 Y161F72-P78 HydrophobicContact CE1-CB 4.15Å; F72-P78 HydrophobicContact CE2-CB 4.15Å; F72-P78 HydrophobicContact CZ-CB 3.91Å; P78-L83 HydrophobicContact CB-CD2 4.04Å; P78-L83 HydrophobicContact CB-CG 4.19Å; P78-L83 HydrophobicContact CG-CD1 4.4Å; P78-L83 HydrophobicContact CG-CD2 3.64Å; P78-L83 HydrophobicContact CG-CG 4.04Å; P78-V126 HydrophobicContact CG-CG1 4.19Å; P78-L127 HydrophobicContact CB-CD2 3.73Å; P78-L127 HydrophobicContact CG-CD2 3.98Å; P78-Y161 HydrophobicContact CG-CE1 4.35Å
79P94.5Very high92.4Very high50 Ų5045.8 Ų45.833%0.32525%0.249SC..PPolyproline II helixtrans-73158.7174.931.8-35.4000111.3F72 N81 I82 L83F72-P79 HydrophobicContact CB-CG 4.19Å; P79-N81 VanDerWaalsContact C-N 3.28Å; P79-N81 VanDerWaalsContact CB-OD1 3.3Å; P79-N81 WeakPolarHBondContact CB-OD1 3.48Å; P79-N81 VanDerWaalsContact CG-OD1 3.31Å; P79-N81 WeakPolarHBondContact CG-OD1 3.38Å; P79-N81 PolarHBondContact O-N 2.97Å; P79-I82 HydrophobicContact CG-CB 4.13Å; P79-I82 HydrophobicContact CG-CG1 3.64Å; P79-I82 PolarHBondContact O-N 3.27Å; P79-L83 PolarHBondContact O-N 3.45Å; P79-L83 VanDerWaalsContact O-N 3.09Å
80E93.7Very high92.3Very high98 Ų9842.7 Ų42.746%0.45824%0.235SC..Hα-helixtrans-60.4-33.9-170.8-172.858-150.300113.8L83 T84 R170E80-L83 PolarHBondContact O-N 3.33Å; E80-T84 WeakPolarHBondContact O-CB 3.42Å; E80-T84 PolarHBondContact O-N 3.41Å; E80-T84 PolarHBondContact O-OG1 3.4Å; E80-R170 IonicContact OE1-CZ 3.99Å; E80-R170 IonicContact OE1-NH1 2.67Å; E80-R170 PolarHBondContact OE1-NH1 3.08Å; E80-R170 IonicContact OE1-NH2 3.65Å; E80-R170 PolarHBondContact OE1-NH2 3.27Å; E80-R170 IonicContact OE2-NH2 2.66Å
81N95.5Very high92.1Very high102 Ų10242.9 Ų42.955%0.54524%0.235SC..Hα-helixtrans-63.4-4117564.1-50.4000111.7P79 T84 E85P79-N81 VanDerWaalsContact C-N 3.28Å; P79-N81 VanDerWaalsContact CB-OD1 3.3Å; P79-N81 WeakPolarHBondContact CB-OD1 3.48Å; P79-N81 VanDerWaalsContact CG-OD1 3.31Å; P79-N81 WeakPolarHBondContact CG-OD1 3.38Å; P79-N81 PolarHBondContact O-N 2.97Å; N81-T84 WeakPolarHBondContact O-CB 3.47Å; N81-T84 PolarHBondContact O-N 2.88Å; N81-E85 WeakPolarHBondContact O-CG 3.27Å; N81-E85 PolarHBondContact O-N 3.49Å
82I96.2Very high92Very high12 Ų1243.3 Ų43.36%0.06224%0.241CC..Hα-helixtrans-69.6-37.8177.4-62-62.8000110.8W70 F72 P79 T84 E85 W86 L127W70-I82 HydrophobicContact CB-CD1 3.5Å; W70-I82 VanDerWaalsContact CB-CD1 3.5Å; W70-I82 HydrophobicContact CB-CG2 4.06Å; W70-I82 HydrophobicContact CE3-CG2 4.46Å; W70-I82 HydrophobicContact CG-CD1 3.97Å; F72-I82 HydrophobicContact CD1-CG2 4.39Å; P79-I82 HydrophobicContact CG-CB 4.13Å; P79-I82 HydrophobicContact CG-CG1 3.64Å; P79-I82 PolarHBondContact O-N 3.27Å; I82-T84 VanDerWaalsContact C-N 3.31Å; I82-T84 PolarHBondContact O-N 3.48Å; I82-E85 PolarHBondContact O-N 2.96Å; I82-W86 WeakPolarHBondContact O-CB 3.43Å; I82-W86 PolarHBondContact O-N 3.36Å; I82-L127 HydrophobicContact CG2-CD2 4.38Å
83L96Very high91.9Very high2 Ų246.9 Ų46.91%0.0125%0.254CS..Hα-helixtrans-62-40.5172.5-71.2-178.7000111.9P78 P79 E80 W86 F87 L127 V130 Y165P78-L83 HydrophobicContact CB-CD2 4.04Å; P78-L83 HydrophobicContact CB-CG 4.19Å; P78-L83 HydrophobicContact CG-CD1 4.4Å; P78-L83 HydrophobicContact CG-CD2 3.64Å; P78-L83 HydrophobicContact CG-CG 4.04Å; P79-L83 PolarHBondContact O-N 3.45Å; P79-L83 VanDerWaalsContact O-N 3.09Å; E80-L83 PolarHBondContact O-N 3.33Å; L83-W86 WeakPolarHBondContact O-CB 3.33Å; L83-W86 PolarHBondContact O-N 3.22Å; L83-F87 HydrophobicContact CB-CD2 4.39Å; L83-F87 HydrophobicContact CB-CE2 3.85Å; L83-F87 HydrophobicContact CB-CZ 4.48Å; L83-F87 HydrophobicContact CD2-CE2 4.43Å; L83-F87 HydrophobicContact CD2-CZ 4.24Å; L83-F87 WeakPolarHBondContact O-CD2 3.34Å; L83-F87 VanDerWaalsContact O-CG 3.26Å; L83-F87 WeakPolarHBondContact O-CG 3.4Å; L83-F87 PolarHBondContact O-N 3.35Å; L83-L127 HydrophobicContact CD2-CD2 3.98Å; L83-V130 HydrophobicContact CD2-CG1 3.85Å; L83-Y165 HydrophobicContact CD1-CE2 4.27Å
84T95.9Very high92.1Very high62 Ų6243.9 Ų43.938%0.3823%0.232SC..Hα-helixtrans-62.1-48.2178.1-60.20000111.8E80 N81 I82 W86 T88E80-T84 WeakPolarHBondContact O-CB 3.42Å; E80-T84 PolarHBondContact O-N 3.41Å; E80-T84 PolarHBondContact O-OG1 3.4Å; N81-T84 WeakPolarHBondContact O-CB 3.47Å; N81-T84 PolarHBondContact O-N 2.88Å; I82-T84 VanDerWaalsContact C-N 3.31Å; I82-T84 PolarHBondContact O-N 3.48Å; T84-W86 VanDerWaalsContact C-N 3.34Å; T84-T88 WeakPolarHBondContact O-CB 3.48Å; T84-T88 PolarHBondContact O-N 3Å; T84-T88 PolarHBondContact O-OG1 3.46Å
85E97.5Very high92.2Very high98 Ų9840.3 Ų40.346%0.45821%0.21SC..Hα-helixtrans-62.5-42.7174.6-67.7-56.2147.400111.3W70 N81 I82 F87 T88 L89W70-E85 HydrophobicContact CD2-CB 4.37Å; W70-E85 HydrophobicContact CH2-CB 4.16Å; W70-E85 HydrophobicContact CZ2-CB 3.75Å; N81-E85 WeakPolarHBondContact O-CG 3.27Å; N81-E85 PolarHBondContact O-N 3.49Å; I82-E85 PolarHBondContact O-N 2.96Å; E85-F87 PolarHBondContact O-N 2.96Å; E85-T88 PolarHBondContact O-N 3.35Å; E85-L89 PolarHBondContact O-N 3.07Å
86W97.5Very high91.9Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-57.4-53.3178178.6-137.5000111.9F21 V48 W70 I82 L83 T84 T88 L89 L90 I113 V115 L127 A131F21-W86 AromaticContact CD1-CH2 3.93Å; F21-W86 HydrophobicContact CD1-CH2 3.93Å; F21-W86 AromaticContact CD1-CZ2 3.94Å; F21-W86 HydrophobicContact CD1-CZ2 3.94Å; F21-W86 AromaticContact CE1-CH2 3.89Å; F21-W86 HydrophobicContact CE1-CH2 3.89Å; F21-W86 AromaticContact CE1-CZ2 3.66Å; F21-W86 HydrophobicContact CE1-CZ2 3.66Å; V48-W86 HydrophobicContact CG2-CE3 4.45Å; V48-W86 HydrophobicContact CG2-CZ3 3.95Å; W70-W86 HydrophobicContact CH2-CE3 4.34Å; W70-W86 HydrophobicContact CZ3-CB 3.99Å; W70-W86 HydrophobicContact CZ3-CD2 4.43Å; W70-W86 AromaticContact CZ3-CE3 3.74Å; W70-W86 HydrophobicContact CZ3-CE3 3.74Å; I82-W86 WeakPolarHBondContact O-CB 3.43Å; I82-W86 PolarHBondContact O-N 3.36Å; L83-W86 WeakPolarHBondContact O-CB 3.33Å; L83-W86 PolarHBondContact O-N 3.22Å; T84-W86 VanDerWaalsContact C-N 3.34Å; W86-T88 VanDerWaalsContact C-N 3.28Å; W86-T88 PolarHBondContact O-N 3.25Å; W86-L89 HydrophobicContact CE3-CD2 4.22Å; W86-L89 HydrophobicContact CZ3-CD2 4.1Å; W86-L89 PolarHBondContact O-N 3.44Å; W86-L90 HydrophobicContact CD2-CD1 3.97Å; W86-L90 HydrophobicContact CD2-CD2 4.32Å; W86-L90 HydrophobicContact CD2-CG 3.97Å; W86-L90 HydrophobicContact CE3-CD1 4.44Å; W86-L90 HydrophobicContact CE3-CD2 3.99Å; W86-L90 HydrophobicContact CE3-CG 3.96Å; W86-L90 HydrophobicContact CG-CD1 4.42Å; W86-L90 HydrophobicContact CH2-CD1 4.49Å; W86-L90 HydrophobicContact CH2-CD2 3.6Å; W86-L90 HydrophobicContact CH2-CG 4.29Å; W86-L90 HydrophobicContact CZ2-CD1 3.93Å; W86-L90 HydrophobicContact CZ2-CD2 3.87Å; W86-L90 HydrophobicContact CZ2-CG 4.21Å; W86-L90 HydrophobicContact CZ3-CD2 3.65Å; W86-L90 HydrophobicContact CZ3-CG 4.15Å; W86-L90 VanDerWaalsContact O-CG 3.28Å; W86-L90 WeakPolarHBondContact O-CG 3.33Å; W86-L90 PolarHBondContact O-N 3.31Å; W86-I113 HydrophobicContact CH2-CB 4.47Å; W86-I113 HydrophobicContact CH2-CG2 3.97Å; W86-I113 HydrophobicContact CZ3-CD1 4.45Å; W86-I113 HydrophobicContact CZ3-CG2 3.77Å; W86-V115 HydrophobicContact CH2-CG2 3.64Å; W86-V115 HydrophobicContact CZ2-CG2 4.25Å; W86-V115 HydrophobicContact CZ3-CG2 4.3Å; W86-L127 HydrophobicContact CG-CD2 4.35Å; W86-L127 PolarHBondContact NE1-O 2.83Å; W86-A131 HydrophobicContact CZ2-CB 4.38Å
87F95.7Very high90.9Very high3 Ų348 Ų481%0.01325%0.247CC..Hα-helixtrans-66.6-31179.8-58.6-45.8000112.9L83 E85 L90 R91 V130 E134 R170 L171L83-F87 HydrophobicContact CB-CD2 4.39Å; L83-F87 HydrophobicContact CB-CE2 3.85Å; L83-F87 HydrophobicContact CB-CZ 4.48Å; L83-F87 HydrophobicContact CD2-CE2 4.43Å; L83-F87 HydrophobicContact CD2-CZ 4.24Å; L83-F87 WeakPolarHBondContact O-CD2 3.34Å; L83-F87 VanDerWaalsContact O-CG 3.26Å; L83-F87 WeakPolarHBondContact O-CG 3.4Å; L83-F87 PolarHBondContact O-N 3.35Å; E85-F87 PolarHBondContact O-N 2.96Å; F87-L90 HydrophobicContact CD1-CD1 4.42Å; F87-L90 PolarHBondContact O-N 3.21Å; F87-R91 WeakPolarHBondContact O-CB 3.16Å; F87-R91 VanDerWaalsContact O-CG 3.28Å; F87-R91 WeakPolarHBondContact O-CG 3.23Å; F87-R91 PolarHBondContact O-N 3.26Å; F87-R91 PolarHBondContact O-NE 3.14Å; F87-V130 HydrophobicContact CE1-CG1 3.98Å; F87-V130 HydrophobicContact CZ-CG1 3.54Å; F87-E134 HydrophobicContact CE1-CB 4.28Å; F87-E134 HydrophobicContact CE1-CG 3.67Å; F87-E134 HydrophobicContact CZ-CG 3.63Å; F87-R170 HydrophobicContact CD2-CB 4.17Å; F87-R170 HydrophobicContact CD2-CG 4.41Å; F87-R170 HydrophobicContact CG-CB 4.27Å; F87-L171 HydrophobicContact CB-CD2 4.09Å; F87-L171 HydrophobicContact CD1-CD1 3.93Å; F87-L171 HydrophobicContact CD1-CD2 3.93Å; F87-L171 HydrophobicContact CD1-CG 3.89Å; F87-L171 HydrophobicContact CE1-CD1 4.23Å; F87-L171 HydrophobicContact CE1-CG 4.44Å; F87-L171 HydrophobicContact CG-CD2 4.39Å
88T94.5Very high89.2Confident43 Ų4352.9 Ų52.926%0.26427%0.271SS..Hα-helixtrans-65.9-46.6174.6-62.10000111T84 E85 W86 L90 R91 N92T84-T88 WeakPolarHBondContact O-CB 3.48Å; T84-T88 PolarHBondContact O-N 3Å; T84-T88 PolarHBondContact O-OG1 3.46Å; E85-T88 PolarHBondContact O-N 3.35Å; W86-T88 VanDerWaalsContact C-N 3.28Å; W86-T88 PolarHBondContact O-N 3.25Å; T88-L90 PolarHBondContact O-N 3.44Å; T88-R91 PolarHBondContact O-N 2.99Å; T88-R91 PolarHBondContact OG1-NH2 3.16Å; T88-N92 WeakPolarHBondContact O-CB 3.42Å; T88-N92 PolarHBondContact O-N 2.83Å; T88-N92 PolarHBondContact O-ND2 3.38Å
89L95.7Very high87.1Confident19 Ų1953.7 Ų53.710%0.09928%0.275CS..Hα-helixtrans-57.4-48.3173.1176.362.4000111.6D46 V48 W70 E85 W86 R91 N92 R93 I113D46-L89 HydrophobicContact CB-CD2 4.37Å; V48-L89 HydrophobicContact CG2-CD2 3.71Å; W70-L89 HydrophobicContact CH2-CB 3.81Å; W70-L89 HydrophobicContact CH2-CD2 3.55Å; W70-L89 HydrophobicContact CH2-CG 4.31Å; W70-L89 HydrophobicContact CZ2-CD2 4.39Å; W70-L89 HydrophobicContact CZ3-CD2 4.2Å; E85-L89 PolarHBondContact O-N 3.07Å; W86-L89 HydrophobicContact CE3-CD2 4.22Å; W86-L89 HydrophobicContact CZ3-CD2 4.1Å; W86-L89 PolarHBondContact O-N 3.44Å; L89-R91 PolarHBondContact O-N 2.85Å; L89-N92 PolarHBondContact O-N 3.48Å; L89-R93 VanDerWaalsContact O-CB 3.31Å; L89-R93 WeakPolarHBondContact O-CB 3.37Å; L89-R93 PolarHBondContact O-N 3.08Å; L89-I113 HydrophobicContact CD1-CD1 4.45Å; L89-I113 HydrophobicContact CD2-CD1 4.04Å; L89-I113 HydrophobicContact CD2-CG2 4.35Å; L89-I113 HydrophobicContact CG-CD1 3.83Å
90L94.9Very high85Confident0 Ų054.8 Ų54.80%028%0.281CS..Hα-helixtrans-60.4-42.7-179.7-66-175000112.9M19 F21 W86 F87 T88 F94 I113 A131 L171M19-L90 HydrophobicContact CE-CB 4.3Å; M19-L90 HydrophobicContact SD-CB 4.36Å; M19-L90 HydrophobicContact SD-CD1 4.29Å; F21-L90 HydrophobicContact CD1-CD2 4.46Å; F21-L90 HydrophobicContact CE1-CD1 4.06Å; F21-L90 HydrophobicContact CE1-CD2 3.53Å; F21-L90 HydrophobicContact CE1-CG 4.46Å; F21-L90 HydrophobicContact CZ-CD1 4.26Å; F21-L90 HydrophobicContact CZ-CD2 4.24Å; W86-L90 HydrophobicContact CD2-CD1 3.97Å; W86-L90 HydrophobicContact CD2-CD2 4.32Å; W86-L90 HydrophobicContact CD2-CG 3.97Å; W86-L90 HydrophobicContact CE3-CD1 4.44Å; W86-L90 HydrophobicContact CE3-CD2 3.99Å; W86-L90 HydrophobicContact CE3-CG 3.96Å; W86-L90 HydrophobicContact CG-CD1 4.42Å; W86-L90 HydrophobicContact CH2-CD1 4.49Å; W86-L90 HydrophobicContact CH2-CD2 3.6Å; W86-L90 HydrophobicContact CH2-CG 4.29Å; W86-L90 HydrophobicContact CZ2-CD1 3.93Å; W86-L90 HydrophobicContact CZ2-CD2 3.87Å; W86-L90 HydrophobicContact CZ2-CG 4.21Å; W86-L90 HydrophobicContact CZ3-CD2 3.65Å; W86-L90 HydrophobicContact CZ3-CG 4.15Å; W86-L90 VanDerWaalsContact O-CG 3.28Å; W86-L90 WeakPolarHBondContact O-CG 3.33Å; W86-L90 PolarHBondContact O-N 3.31Å; F87-L90 HydrophobicContact CD1-CD1 4.42Å; F87-L90 PolarHBondContact O-N 3.21Å; T88-L90 PolarHBondContact O-N 3.44Å; L90-F94 HydrophobicContact CB-CD2 4.39Å; L90-F94 HydrophobicContact CD2-CD2 4.06Å; L90-F94 HydrophobicContact CD2-CE2 3.71Å; L90-F94 WeakPolarHBondContact O-CB 3.23Å; L90-F94 WeakPolarHBondContact O-CD2 3.44Å; L90-F94 PolarHBondContact O-N 3.11Å; L90-I113 HydrophobicContact CD2-CD1 3.66Å; L90-A131 HydrophobicContact CD1-CB 3.65Å; L90-L171 HydrophobicContact CB-CD2 3.95Å; L90-L171 HydrophobicContact CD1-CD1 3.59Å; L90-L171 HydrophobicContact CD1-CD2 4.29Å
91R91.4Very high82.6Confident33 Ų3352.8 Ų52.813%0.12528%0.282CS..Hα-helixtrans-65.5-46176.7-72.2-178.2-63.8179.73.3111.2F87 T88 L89 R93 Y95 G96 L171 F179F87-R91 WeakPolarHBondContact O-CB 3.16Å; F87-R91 VanDerWaalsContact O-CG 3.28Å; F87-R91 WeakPolarHBondContact O-CG 3.23Å; F87-R91 PolarHBondContact O-N 3.26Å; F87-R91 PolarHBondContact O-NE 3.14Å; T88-R91 PolarHBondContact O-N 2.99Å; T88-R91 PolarHBondContact OG1-NH2 3.16Å; L89-R91 PolarHBondContact O-N 2.85Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 3.27Å; R91-Y95 HydrophobicContact CB-CD2 4.42Å; R91-Y95 HydrophobicContact CG-CD2 4.13Å; R91-Y95 CarbonylContact O-C 3.49Å; R91-Y95 VanDerWaalsContact O-CA 3.27Å; R91-Y95 WeakPolarHBondContact O-CA 3.38Å; R91-Y95 VanDerWaalsContact O-CB 3.32Å; R91-Y95 WeakPolarHBondContact O-CB 3.45Å; R91-Y95 PolarHBondContact O-N 3.27Å; R91-G96 PolarHBondContact O-N 2.95Å; R91-G96 VanDerWaalsContact O-N 3.11Å; R91-L171 HydrophobicContact CG-CD2 4.01Å; R91-F179 PolarHBondContact NH1-O 3.17Å
92N90.2Very high79.8Confident110 Ų11054.4 Ų54.459%0.58829%0.286SS*.Hα-helixtrans-61.4-43.9179.3-68.2-11.9000111.1T88 L89 G96T88-N92 WeakPolarHBondContact O-CB 3.42Å; T88-N92 PolarHBondContact O-N 2.83Å; T88-N92 PolarHBondContact O-ND2 3.38Å; L89-N92 PolarHBondContact O-N 3.48Å; N92-G96 WeakPolarHBondContact O-CA 3.44Å; N92-G96 PolarHBondContact O-N 3.22Å
93R90.5Very high77.4Confident88 Ų8860.9 Ų60.933%0.33233%0.325SS..Hα-helixtrans-72.8-45-177.4-168.867.3-127.6-172.2-2.4113.2S45 D46 L89 R91 N99 P110 I113S45-R93 VanDerWaalsContact CB-CZ 3.43Å; S45-R93 WeakPolarHBondContact OG-CD 3.37Å; D46-R93 WeakPolarHBondContact OD2-CD 3.3Å; L89-R93 VanDerWaalsContact O-CB 3.31Å; L89-R93 WeakPolarHBondContact O-CB 3.37Å; L89-R93 PolarHBondContact O-N 3.08Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 3.27Å; R93-N99 PolarHBondContact O-ND2 3.39Å; R93-P110 HydrophobicContact CG-CB 4.4Å; R93-P110 WeakPolarHBondContact O-CB 3.36Å; R93-I113 HydrophobicContact CB-CD1 3.82Å; R93-I113 HydrophobicContact CG-CD1 3.86Å; R93-I113 HydrophobicContact CG-CG1 4.07Å
94F90.3Very high74.9Confident11 Ų1166.4 Ų66.45%0.04836%0.355CS..Hα-helixtrans-100-20.9-171.7-62.5-65.7000114.1M19 H20 L90 N99 P110 I113M19-F94 HydrophobicContact CB-CD1 4.45Å; M19-F94 HydrophobicContact CB-CD2 3.97Å; M19-F94 HydrophobicContact CB-CE2 4.01Å; M19-F94 HydrophobicContact CB-CG 4.22Å; M19-F94 HydrophobicContact CB-CZ 4.32Å; M19-F94 HydrophobicContact CE-CB 4.2Å; M19-F94 HydrophobicContact CE-CD2 4.24Å; M19-F94 HydrophobicContact CG-CB 4.04Å; M19-F94 HydrophobicContact CG-CD1 4.38Å; M19-F94 HydrophobicContact CG-CD2 3.59Å; M19-F94 HydrophobicContact CG-CE2 4.14Å; M19-F94 HydrophobicContact CG-CG 3.75Å; M19-F94 HydrophobicContact SD-CD2 3.89Å; M19-F94 HydrophobicContact SD-CE2 4.45Å; H20-F94 HydrophobicContact CB-CE1 4.45Å; H20-F94 WeakPolarHBondContact O-CZ 3.4Å; L90-F94 HydrophobicContact CB-CD2 4.39Å; L90-F94 HydrophobicContact CD2-CD2 4.06Å; L90-F94 HydrophobicContact CD2-CE2 3.71Å; L90-F94 WeakPolarHBondContact O-CB 3.23Å; L90-F94 WeakPolarHBondContact O-CD2 3.44Å; L90-F94 PolarHBondContact O-N 3.11Å; F94-N99 WeakPolarHBondContact CA-ND2 3.33Å; F94-N99 PolarHBondContact O-ND2 2.95Å; F94-P110 HydrophobicContact CD1-CB 4.01Å; F94-P110 HydrophobicContact CD1-CG 3.69Å; F94-P110 HydrophobicContact CE1-CB 4.31Å; F94-P110 HydrophobicContact CE1-CG 4.27Å; F94-I113 HydrophobicContact CE2-CD1 3.76Å; F94-I113 HydrophobicContact CE2-CG1 4.19Å; F94-I113 HydrophobicContact CZ-CD1 4.2Å; F94-I113 HydrophobicContact CZ-CG1 4.13Å
95Y84.9Confident72.5Confident35 Ų3572.6 Ų72.614%0.13738%0.379CS..Hα-helixtrans-120-6.4179.7-57.1-35.7000115.5M19 R91 L171 R173 C178M19-Y95 HydrophobicContact CE-CE1 4.36Å; M19-Y95 HydrophobicContact CE-CE2 3.77Å; R91-Y95 HydrophobicContact CB-CD2 4.42Å; R91-Y95 HydrophobicContact CG-CD2 4.13Å; R91-Y95 CarbonylContact O-C 3.49Å; R91-Y95 VanDerWaalsContact O-CA 3.27Å; R91-Y95 WeakPolarHBondContact O-CA 3.38Å; R91-Y95 VanDerWaalsContact O-CB 3.32Å; R91-Y95 WeakPolarHBondContact O-CB 3.45Å; R91-Y95 PolarHBondContact O-N 3.27Å; Y95-L171 WeakPolarHBondContact CE2-O 3.33Å; Y95-L171 PolarHBondContact OH-O 2.92Å; Y95-R173 HydrophobicContact CD1-CG 4.17Å; Y95-R173 HydrophobicContact CE1-CG 3.8Å; Y95-R173 HydrophobicContact CE2-CG 4.19Å; Y95-C178 WeakPolarHBondContact CD2-SG 3.39Å
96G72.9Confident70Confident23 Ų2375.1 Ų75.124%0.23740%0.396CS..SBendtrans-52.7156.7178.500000112.9R91 N92 N98 N99R91-G96 PolarHBondContact O-N 2.95Å; R91-G96 VanDerWaalsContact O-N 3.11Å; N92-G96 WeakPolarHBondContact O-CA 3.44Å; N92-G96 PolarHBondContact O-N 3.22Å; G96-N98 PolarHBondContact O-N 3.45Å; G96-N99 WeakPolarHBondContact O-CB 3.27Å; G96-N99 PolarHBondContact O-N 3.36Å
97E60.2Low67.6Low165 Ų16579 Ų7977%0.77141%0.414SS*.G310 helixtrans-51.1-32.7-170.1-69.7178.816400114.1N99 T100 A101E97-N99 PolarHBondContact O-N 3.14Å; E97-N99 VanDerWaalsContact O-N 3.08Å; E97-T100 PolarHBondContact O-N 3.21Å; E97-T100 VanDerWaalsContact O-N 3.12Å; E97-T100 PolarHBondContact O-OG1 2.78Å; E97-A101 PolarHBondContact O-N 2.81Å
98N51.8Low65.8Low149 Ų14986 Ų8680%0.79745%0.451SS*.G310 helixtrans-58.7-19.6174.8-62.6-19.7000113.6G96 H107G96-N98 PolarHBondContact O-N 3.45Å; N98-H107 PolarHBondContact O-CE1 2.92Å; N98-H107 VanDerWaalsContact O-CE1 3.24Å
99N50.7Low64.5Low25 Ų2589.7 Ų89.713%0.13447%0.473CS..G310 helixtrans-102-2.7-179.1-63.9-17000114.4R93 F94 G96 E97 H107 P110R93-N99 PolarHBondContact O-ND2 3.39Å; F94-N99 WeakPolarHBondContact CA-ND2 3.33Å; F94-N99 PolarHBondContact O-ND2 2.95Å; G96-N99 WeakPolarHBondContact O-CB 3.27Å; G96-N99 PolarHBondContact O-N 3.36Å; E97-N99 PolarHBondContact O-N 3.14Å; E97-N99 VanDerWaalsContact O-N 3.08Å; N99-H107 WeakPolarHBondContact CA-CE1 3.38Å; N99-H107 WeakPolarHBondContact CA-NE2 3.31Å; N99-H107 PolarHBondContact O-CE1 3.42Å; N99-H107 VanDerWaalsContact O-CE1 3.28Å; N99-H107 PolarHBondContact O-NE2 2.8Å; N99-P110 WeakPolarHBondContact ND2-CG 3.36Å
100T48.4Very low63.8Low72 Ų7289.6 Ų89.644%0.44247%0.473SS..THydrogen-bonded Turntrans-115.4-22.5-177.542.50000114.3E97E97-T100 PolarHBondContact O-N 3.21Å; E97-T100 VanDerWaalsContact O-N 3.12Å; E97-T100 PolarHBondContact O-OG1 2.78Å
101A43.2Very low63.5Low57 Ų5790 Ų9047%0.47148%0.478SS..SBendtrans-92.2122.3-17400000110.5E97E97-A101 PolarHBondContact O-N 2.81Å
102H38.4Very low63.7Low136 Ų13688.7 Ų88.763%0.6347%0.474SS*.  trans75.3112.8165.5-65.5-86.2000118.5D104H102-D104 HydrophobicContact CB-CB 4.33Å; H102-D104 IonicContact ND1-OD2 3.27Å; H102-D104 PolarHBondContact O-N 2.99Å
103V45.1Very low64.1Low148 Ų14883.4 Ų83.490%0.89745%0.446SS*.  trans-72.933.5164.6-174.40000110.3
104D43.2Very low64.4Low118 Ų11879.2 Ų79.263%0.63143%0.43SS*.SBendtrans-11182.5-179.2-65.8-43.1000109.2H102 N106H102-D104 HydrophobicContact CB-CB 4.33Å; H102-D104 IonicContact ND1-OD2 3.27Å; H102-D104 PolarHBondContact O-N 2.99Å; D104-N106 VanDerWaalsContact C-N 3.3Å; D104-N106 PolarHBondContact O-N 3.26Å
105Q44.8Very low64.7Low191 Ų19178.7 Ų78.789%0.89343%0.428SS*.SBendtrans51.38.3148.1-54.1-169.422.600121.8
106N45Very low65.1Low151 Ų15177.1 Ų77.181%0.80742%0.421SS*.  trans-148.830.5169.6-113.98000114.4D104 L108D104-N106 VanDerWaalsContact C-N 3.3Å; D104-N106 PolarHBondContact O-N 3.26Å; N106-L108 PolarHBondContact O-N 2.98Å
107H47.5Very low65.8Low81 Ų8176.3 Ų76.338%0.37541%0.412SS..  trans-57.9104178.6-152.878.3000110.2N98 N99 V109N98-H107 PolarHBondContact O-CE1 2.92Å; N98-H107 VanDerWaalsContact O-CE1 3.24Å; N99-H107 WeakPolarHBondContact CA-CE1 3.38Å; N99-H107 WeakPolarHBondContact CA-NE2 3.31Å; N99-H107 PolarHBondContact O-CE1 3.42Å; N99-H107 VanDerWaalsContact O-CE1 3.28Å; N99-H107 PolarHBondContact O-NE2 2.8Å; H107-V109 VanDerWaalsContact C-N 3.34Å; H107-V109 PolarHBondContact O-N 3.11Å
108L57.6Low66.7Low151 Ų15171.6 Ų71.679%0.79139%0.391SS*.  trans-6297.4174.7-84.5146.9000107.4N106 P110N106-L108 PolarHBondContact O-N 2.98Å; L108-P110 VanDerWaalsContact O-N 3.14Å
109V68.2Low67.8Low121 Ų12166.8 Ų66.873%0.73337%0.372SS*.PPolyproline II helixtrans-51.9123.8171.8176.70000106.9H107 G111H107-V109 VanDerWaalsContact C-N 3.34Å; H107-V109 PolarHBondContact O-N 3.11Å; V109-G111 PolarHBondContact O-N 2.76Å; V109-G111 VanDerWaalsContact O-N 3.12Å
110P80.1Confident68.6Low16 Ų1665.6 Ų65.610%0.10437%0.366CS..PPolyproline II helixtrans-58.8123-178.124.3-35.6000109.5R93 F94 N99 L108R93-P110 HydrophobicContact CG-CB 4.4Å; R93-P110 WeakPolarHBondContact O-CB 3.36Å; F94-P110 HydrophobicContact CD1-CB 4.01Å; F94-P110 HydrophobicContact CD1-CG 3.69Å; F94-P110 HydrophobicContact CE1-CB 4.31Å; F94-P110 HydrophobicContact CE1-CG 4.27Å; N99-P110 WeakPolarHBondContact ND2-CG 3.36Å; L108-P110 VanDerWaalsContact O-N 3.14Å
111G88.6Confident69.8Low10 Ų1066.6 Ų66.610%0.10336%0.363CS..PPolyproline II helixtrans-59.9153.218000000112.3N43 S45 V109N43-G111 VanDerWaalsContact O-CA 3.23Å; N43-G111 WeakPolarHBondContact O-CA 3.35Å; S45-G111 PolarHBondContact OG-O 3.28Å; V109-G111 PolarHBondContact O-N 2.76Å; V109-G111 VanDerWaalsContact O-N 3.12Å
112P96.4Very high71.8Confident4 Ų464.6 Ų64.63%0.02635%0.347CS..PPolyproline II helixtrans-58153.3-179.117.8-28.9000113.2H20 I22 L42 N43 V44 S45H20-P112 HydrophobicContact CB-CB 4.15Å; H20-P112 WeakPolarHBondContact O-CA 3.26Å; I22-P112 HydrophobicContact CG1-CB 3.74Å; I22-P112 HydrophobicContact CG1-CG 4.14Å; L42-P112 WeakPolarHBondContact O-CD 3.48Å; L42-P112 WeakPolarHBondContact O-CG 3.39Å; N43-P112 WeakPolarHBondContact O-CD 3.44Å; V44-P112 WeakPolarHBondContact CA-O 3.42Å; V44-P112 HydrophobicContact CG2-CG 4.04Å; S45-P112 PolarHBondContact N-O 2.89Å; S45-P112 PolarHBondContact OG-O 3.49Å
113I98Very high74.4Confident0 Ų058.2 Ų58.20%032%0.317CS..EExtended strand (participates in β ladder)trans-98.2120.5166.2-60.8175.1000108.9H20 F21 I22 D46 V48 W86 L89 L90 R93 F94 V115H20-I113 PolarHBondContact O-N 2.85Å; F21-I113 WeakPolarHBondContact CA-O 3.35Å; I22-I113 PolarHBondContact N-O 3.43Å; D46-I113 HydrophobicContact CB-CG1 4.08Å; D46-I113 HydrophobicContact CB-CG2 4.06Å; V48-I113 HydrophobicContact CG2-CG2 3.85Å; W86-I113 HydrophobicContact CH2-CB 4.47Å; W86-I113 HydrophobicContact CH2-CG2 3.97Å; W86-I113 HydrophobicContact CZ3-CD1 4.45Å; W86-I113 HydrophobicContact CZ3-CG2 3.77Å; L89-I113 HydrophobicContact CD1-CD1 4.45Å; L89-I113 HydrophobicContact CD2-CD1 4.04Å; L89-I113 HydrophobicContact CD2-CG2 4.35Å; L89-I113 HydrophobicContact CG-CD1 3.83Å; L90-I113 HydrophobicContact CD2-CD1 3.66Å; R93-I113 HydrophobicContact CB-CD1 3.82Å; R93-I113 HydrophobicContact CG-CD1 3.86Å; R93-I113 HydrophobicContact CG-CG1 4.07Å; F94-I113 HydrophobicContact CE2-CD1 3.76Å; F94-I113 HydrophobicContact CE2-CG1 4.19Å; F94-I113 HydrophobicContact CZ-CD1 4.2Å; F94-I113 HydrophobicContact CZ-CG1 4.13Å; I113-V115 HydrophobicContact CG2-CG2 4.39Å
114A97.3Very high76.7Confident0 Ų051.1 Ų51.10%028%0.275CS..EExtended strand (participates in β ladder)trans-86.1134.8173.800000110.7I22 M24 V44 D46 V47 V48I22-A114 HydrophobicContact CB-CB 4.05Å; I22-A114 HydrophobicContact CG2-CB 4.15Å; I22-A114 CarbonylContact O-C 3.51Å; I22-A114 WeakPolarHBondContact O-CA 3.25Å; M24-A114 HydrophobicContact CE-CB 3.83Å; M24-A114 HydrophobicContact SD-CB 4.14Å; V44-A114 HydrophobicContact CG1-CB 3.72Å; V44-A114 HydrophobicContact CG2-CB 4.24Å; D46-A114 PolarHBondContact O-N 2.91Å; V47-A114 CarbonylContact C-O 3.46Å; V47-A114 WeakPolarHBondContact CA-O 3.46Å; V47-A114 HydrophobicContact CG2-CB 4.14Å; V48-A114 PolarHBondContact N-O 3.31Å
115V96.8Very high79.2Confident0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans-126.3128.5178.5-167.40000108.2I22 I23 M24 V48 V50 W86 I113 A124 L127 V128I22-V115 PolarHBondContact O-N 2.81Å; I23-V115 WeakPolarHBondContact CA-O 3.49Å; M24-V115 PolarHBondContact N-O 2.93Å; M24-V115 VanDerWaalsContact N-O 3.11Å; V48-V115 HydrophobicContact CB-CG1 4.25Å; V48-V115 HydrophobicContact CB-CG2 4.33Å; V48-V115 HydrophobicContact CG1-CG1 4.35Å; V48-V115 WeakPolarHBondContact O-CA 3.17Å; V50-V115 HydrophobicContact CG1-CG1 4.47Å; W86-V115 HydrophobicContact CH2-CG2 3.64Å; W86-V115 HydrophobicContact CZ2-CG2 4.25Å; W86-V115 HydrophobicContact CZ3-CG2 4.3Å; I113-V115 HydrophobicContact CG2-CG2 4.39Å; V115-A124 HydrophobicContact CB-CB 4.19Å; V115-A124 HydrophobicContact CG1-CB 3.67Å; V115-L127 HydrophobicContact CG1-CD1 4.25Å; V115-V128 HydrophobicContact CB-CG2 4.48Å; V115-V128 HydrophobicContact CG2-CG2 4.14Å
116H93.6Very high81.7Confident2 Ų236.4 Ų36.41%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-138.2156176.781.981.8000112.5M24 V48 R49 V50 Y55M24-H116 HydrophobicContact CE-CB 4.29Å; M24-H116 HydrophobicContact CG-CB 3.64Å; M24-H116 VanDerWaalsContact O-CB 3.27Å; M24-H116 WeakPolarHBondContact O-CB 3.27Å; V48-H116 PolarHBondContact O-N 3.09Å; R49-H116 VanDerWaalsContact CG-NE2 3.26Å; R49-H116 WeakPolarHBondContact CG-NE2 3.36Å; V50-H116 VanDerWaalsContact CG2-O 3.27Å; V50-H116 WeakPolarHBondContact CG2-O 3.33Å; V50-H116 PolarHBondContact N-O 2.86Å; Y55-H116 AromaticContact CE1-CE1 3.65Å; Y55-H116 AromaticContact CE1-NE2 3.67Å; Y55-H116 AromaticContact CZ-NE2 3.73Å; Y55-H116 PolarHBondContact OH-NE2 2.83Å
117C86.6Confident84.1Confident5 Ų529.2 Ų29.23%0.03416%0.164CC..  trans-123.2-136.6170.2-174.90000106.6S26 V50 C51 R123 A124S26-C117 WeakPolarHBondContact CA-O 3.31Å; S26-C117 WeakPolarHBondContact CB-O 3.39Å; S26-C117 PolarHBondContact N-O 2.91Å; V50-C117 HydrophobicContact CG2-CB 3.81Å; C51-C117 PolarHBondContact SG-O 2.99Å; C117-R123 HydrophobicContact CB-CB 4.22Å; C117-R123 PolarHBondContact SG-NE 3.09Å; C117-R123 PolarHBondContact SG-NH2 2.81Å; C117-R123 VanDerWaalsContact SG-NH2 3.38Å; C117-A124 HydrophobicContact CB-CB 4.32Å
118I79.3Confident86.5Confident66 Ų6625.4 Ų25.434%0.33815%0.146SC..SBendtrans-81.5-67.4174.4-56.7170.8000110.5S26 C51 R54S26-I118 WeakPolarHBondContact CB-O 3.41Å; S26-I118 PolarHBondContact N-O 3.12Å; C51-I118 HydrophobicContact CB-CG1 3.94Å; R54-I118 VanDerWaalsContact NH2-CD1 3.31Å
119A74.8Confident88.4Confident48 Ų4818.2 Ų18.240%0.39711%0.108SC..SBendtrans-97.1-9179.600000113.2Y121 R150A119-Y121 HydrophobicContact CB-CD2 3.53Å; A119-Y121 HydrophobicContact CB-CE2 3.83Å; A119-Y121 VanDerWaalsContact O-CD2 3.31Å; A119-Y121 WeakPolarHBondContact O-CD2 3.35Å; A119-Y121 VanDerWaalsContact O-CE2 3.27Å; A119-Y121 WeakPolarHBondContact O-CE2 3.43Å; A119-R150 PolarHBondContact O-NH2 3Å
120G66.9Low89.8Confident1 Ų112.4 Ų12.41%0.017%0.073CC..SBendtrans74.318179.900000115.2P125 R150G120-P125 WeakPolarHBondContact O-CD 3.37Å; G120-P125 VanDerWaalsContact O-CG 3.23Å; G120-P125 WeakPolarHBondContact O-CG 3.29Å; G120-R150 WeakPolarHBondContact O-CD 3.32Å; G120-R150 PolarHBondContact O-NE 2.87Å
121Y74.3Confident90.7Very high93 Ų9311.7 Ų11.737%0.3657%0.068SC..SBendtrans-103.6-17.6-179-59.7-71.4000115.1A119 R150 A153 F154A119-Y121 HydrophobicContact CB-CD2 3.53Å; A119-Y121 HydrophobicContact CB-CE2 3.83Å; A119-Y121 VanDerWaalsContact O-CD2 3.31Å; A119-Y121 WeakPolarHBondContact O-CD2 3.35Å; A119-Y121 VanDerWaalsContact O-CE2 3.27Å; A119-Y121 WeakPolarHBondContact O-CE2 3.43Å; Y121-R150 HydrophobicContact CD1-CG 3.97Å; Y121-R150 HydrophobicContact CE1-CG 3.83Å; Y121-A153 WeakPolarHBondContact O-CA 3.42Å; Y121-F154 PolarHBondContact O-N 3.29Å
122G86.3Confident91.1Very high14 Ų1411.2 Ų11.214%0.1446%0.063CC..SBendtrans-109.5-94.9-176.200000113.3A124 P125 V126G122-A124 PolarHBondContact O-N 3.01Å; G122-P125 VanDerWaalsContact O-CD 3.23Å; G122-P125 WeakPolarHBondContact O-CD 3.36Å; G122-V126 WeakPolarHBondContact O-CG2 3.07Å; G122-V126 PolarHBondContact O-N 2.75Å; G122-V126 VanDerWaalsContact O-N 3.14Å
123R91.7Very high91.2Very high2 Ų211.5 Ų11.51%0.0086%0.064CC..Hα-helixtrans-54.6-45.1-170.9-66179.1-98.9171.53.3114.1V50 E52 F72 D74 C117 V126 L127V50-R123 HydrophobicContact CB-CB 4.37Å; V50-R123 HydrophobicContact CG2-CB 3.51Å; V50-R123 WeakPolarHBondContact O-CD 3.15Å; V50-R123 PolarHBondContact O-NH1 3.27Å; E52-R123 IonicContact OE1-CZ 2.8Å; E52-R123 IonicContact OE1-NH1 3.77Å; E52-R123 PolarHBondContact OE1-NH1 2.66Å; E52-R123 IonicContact OE1-NH2 3.61Å; F72-R123 HydrophobicContact CD2-CG 4.13Å; F72-R123 HydrophobicContact CE1-CB 4.08Å; F72-R123 HydrophobicContact CE1-CG 4.46Å; F72-R123 HydrophobicContact CE2-CB 3.82Å; F72-R123 HydrophobicContact CE2-CG 3.5Å; F72-R123 VanDerWaalsContact CE2-CG 3.5Å; F72-R123 HydrophobicContact CZ-CB 3.44Å; F72-R123 VanDerWaalsContact CZ-CB 3.44Å; F72-R123 HydrophobicContact CZ-CG 3.7Å; F72-R123 WeakPolarHBondContact O-CD 3.49Å; F72-R123 PolarHBondContact O-NH1 3.03Å; D74-R123 IonicContact OD1-CZ 3.17Å; D74-R123 IonicContact OD1-NE 3.44Å; D74-R123 PolarHBondContact OD1-NE 3.15Å; D74-R123 VanDerWaalsContact OD1-NE 3.11Å; D74-R123 IonicContact OD1-NH2 2.76Å; C117-R123 HydrophobicContact CB-CB 4.22Å; C117-R123 PolarHBondContact SG-NE 3.09Å; C117-R123 PolarHBondContact SG-NH2 2.81Å; C117-R123 VanDerWaalsContact SG-NH2 3.38Å; R123-V126 PolarHBondContact O-N 2.96Å; R123-L127 PolarHBondContact O-N 3.27Å
124A94.6Very high91.1Very high0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-65-50.7-18000000112.9I23 V50 V115 C117 G122 V126 L127 V128I23-A124 HydrophobicContact CG2-CB 4.19Å; V50-A124 HydrophobicContact CG2-CB 4.36Å; V115-A124 HydrophobicContact CB-CB 4.19Å; V115-A124 HydrophobicContact CG1-CB 3.67Å; C117-A124 HydrophobicContact CB-CB 4.32Å; G122-A124 PolarHBondContact O-N 3.01Å; A124-V126 VanDerWaalsContact C-N 3.25Å; A124-V126 PolarHBondContact O-N 2.94Å; A124-L127 PolarHBondContact O-N 2.78Å; A124-V128 PolarHBondContact O-N 3.27Å
125P95.7Very high91Very high0 Ų011.7 Ų11.70%07%0.065CC..Hα-helixtrans-50.7-39.7168.3-34.438000115I23 G120 G122 V128 A129 I146 A153 F154I23-P125 HydrophobicContact CD1-CB 4.45Å; I23-P125 HydrophobicContact CD1-CG 4.29Å; I23-P125 HydrophobicContact CG2-CG 4.18Å; G120-P125 WeakPolarHBondContact O-CD 3.37Å; G120-P125 VanDerWaalsContact O-CG 3.23Å; G120-P125 WeakPolarHBondContact O-CG 3.29Å; G122-P125 VanDerWaalsContact O-CD 3.23Å; G122-P125 WeakPolarHBondContact O-CD 3.36Å; P125-V128 PolarHBondContact O-N 3.45Å; P125-A129 WeakPolarHBondContact O-CB 3.37Å; P125-A129 PolarHBondContact O-N 2.8Å; P125-I146 HydrophobicContact CB-CG2 4.1Å; P125-A153 HydrophobicContact CB-CB 4.29Å; P125-A153 HydrophobicContact CG-CB 4.33Å; P125-F154 HydrophobicContact CB-CD1 4.09Å; P125-F154 HydrophobicContact CB-CE1 3.47Å; P125-F154 VanDerWaalsContact CB-CE1 3.47Å; P125-F154 HydrophobicContact CB-CZ 3.8Å
126V96.1Very high90.9Very high0 Ų013.1 Ų13.10%08%0.08CC..Hα-helixtrans-64.5-44-179.4174.20000111.7P78 G122 R123 A124 V128 A129 V130 F154 Q158 Y161 L162P78-V126 HydrophobicContact CG-CG1 4.19Å; G122-V126 WeakPolarHBondContact O-CG2 3.07Å; G122-V126 PolarHBondContact O-N 2.75Å; G122-V126 VanDerWaalsContact O-N 3.14Å; R123-V126 PolarHBondContact O-N 2.96Å; A124-V126 VanDerWaalsContact C-N 3.25Å; A124-V126 PolarHBondContact O-N 2.94Å; V126-V128 VanDerWaalsContact C-N 3.32Å; V126-V128 PolarHBondContact O-N 3.11Å; V126-A129 PolarHBondContact O-N 2.75Å; V126-V130 HydrophobicContact CG1-CG2 4.47Å; V126-V130 WeakPolarHBondContact O-CG2 3.22Å; V126-V130 PolarHBondContact O-N 3.44Å; V126-F154 HydrophobicContact CG2-CD1 3.85Å; V126-F154 HydrophobicContact CG2-CE1 4.03Å; V126-Q158 HydrophobicContact CG2-CB 3.81Å; V126-Q158 HydrophobicContact CG2-CG 3.73Å; V126-Y161 HydrophobicContact CG1-CD1 3.96Å; V126-Y161 HydrophobicContact CG1-CE1 3.82Å; V126-L162 HydrophobicContact CG1-CD2 4.29Å
127L96.8Very high91Very high0 Ų014.4 Ų14.40%09%0.087CC..Hα-helixtrans-61.4-41.4175.9-77.2-173.7000112.4V48 V50 F72 P78 I82 L83 W86 V115 R123 A124 V130 A131V48-L127 HydrophobicContact CG1-CD1 4.5Å; V50-L127 HydrophobicContact CG1-CD1 3.54Å; F72-L127 HydrophobicContact CE1-CD1 4.48Å; F72-L127 HydrophobicContact CE1-CG 4.45Å; P78-L127 HydrophobicContact CB-CD2 3.73Å; P78-L127 HydrophobicContact CG-CD2 3.98Å; I82-L127 HydrophobicContact CG2-CD2 4.38Å; L83-L127 HydrophobicContact CD2-CD2 3.98Å; W86-L127 HydrophobicContact CG-CD2 4.35Å; W86-L127 PolarHBondContact NE1-O 2.83Å; V115-L127 HydrophobicContact CG1-CD1 4.25Å; R123-L127 PolarHBondContact O-N 3.27Å; A124-L127 PolarHBondContact O-N 2.78Å; L127-V130 PolarHBondContact O-N 3.06Å; L127-A131 PolarHBondContact O-N 3.23Å
128V97.5Very high91.5Very high0 Ų016.1 Ų16.10%010%0.099CC..Hα-helixtrans-67.5-42.6178178.60000110.7I14 F21 I23 V115 A124 P125 V126 V130 A131 L132 I146I14-V128 HydrophobicContact CD1-CG1 4.03Å; I14-V128 HydrophobicContact CG2-CG1 4.45Å; F21-V128 HydrophobicContact CB-CG1 4Å; F21-V128 HydrophobicContact CB-CG2 4.19Å; F21-V128 HydrophobicContact CD1-CG2 4.44Å; F21-V128 HydrophobicContact CD2-CG1 4.1Å; F21-V128 HydrophobicContact CG-CG1 3.99Å; F21-V128 HydrophobicContact CG-CG2 4.42Å; I23-V128 HydrophobicContact CD1-CB 4.1Å; I23-V128 HydrophobicContact CD1-CG1 4.32Å; I23-V128 HydrophobicContact CD1-CG2 4.03Å; I23-V128 HydrophobicContact CG1-CB 4.4Å; I23-V128 HydrophobicContact CG1-CG2 3.76Å; V115-V128 HydrophobicContact CB-CG2 4.48Å; V115-V128 HydrophobicContact CG2-CG2 4.14Å; A124-V128 PolarHBondContact O-N 3.27Å; P125-V128 PolarHBondContact O-N 3.45Å; V126-V128 VanDerWaalsContact C-N 3.32Å; V126-V128 PolarHBondContact O-N 3.11Å; V128-V130 PolarHBondContact O-N 3.04Å; V128-A131 WeakPolarHBondContact O-CB 3.38Å; V128-A131 PolarHBondContact O-N 3.42Å; V128-L132 HydrophobicContact CG1-CD1 4.41Å; V128-L132 WeakPolarHBondContact O-CG 3.45Å; V128-L132 PolarHBondContact O-N 3.42Å; V128-I146 HydrophobicContact CB-CD1 4.4Å; V128-I146 HydrophobicContact CG1-CD1 4.26Å
129A97.8Very high92.4Very high0 Ų013.7 Ų13.70%09%0.088CC..Hα-helixtrans-58.7-46.7175.800000111.8P125 V126 A131 L132 M133 I146 F154 L162P125-A129 WeakPolarHBondContact O-CB 3.37Å; P125-A129 PolarHBondContact O-N 2.8Å; V126-A129 PolarHBondContact O-N 2.75Å; A129-A131 VanDerWaalsContact C-N 3.3Å; A129-A131 PolarHBondContact O-N 3.3Å; A129-L132 WeakPolarHBondContact O-CB 3.24Å; A129-L132 PolarHBondContact O-N 2.93Å; A129-L132 VanDerWaalsContact O-N 3.15Å; A129-M133 WeakPolarHBondContact O-CG 3.36Å; A129-M133 PolarHBondContact O-N 3.12Å; A129-I146 HydrophobicContact CB-CD1 3.67Å; A129-F154 HydrophobicContact CB-CE1 4.17Å; A129-F154 HydrophobicContact CB-CZ 4.02Å; A129-L162 HydrophobicContact CB-CD1 3.77Å; A129-L162 HydrophobicContact CB-CD2 3.69Å; A129-L162 HydrophobicContact CB-CG 4.4Å
130V97.7Very high93.5Very high0 Ų016.9 Ų16.90%09%0.094CC..Hα-helixtrans-59.5-41.4176.6168.80000111.3L83 F87 V126 L127 V128 L132 M133 E134 Y161 L162 Y165L83-V130 HydrophobicContact CD2-CG1 3.85Å; F87-V130 HydrophobicContact CE1-CG1 3.98Å; F87-V130 HydrophobicContact CZ-CG1 3.54Å; V126-V130 HydrophobicContact CG1-CG2 4.47Å; V126-V130 WeakPolarHBondContact O-CG2 3.22Å; V126-V130 PolarHBondContact O-N 3.44Å; L127-V130 PolarHBondContact O-N 3.06Å; V128-V130 PolarHBondContact O-N 3.04Å; V130-L132 PolarHBondContact O-N 2.8Å; V130-M133 PolarHBondContact O-N 3.08Å; V130-E134 WeakPolarHBondContact O-CG 3.48Å; V130-E134 PolarHBondContact O-N 3.24Å; V130-Y161 HydrophobicContact CG2-CE1 3.86Å; V130-L162 HydrophobicContact CG2-CD2 3.85Å; V130-Y165 HydrophobicContact CG1-CE1 3.97Å; V130-Y165 HydrophobicContact CG1-CE2 4.02Å; V130-Y165 HydrophobicContact CG2-CD2 4.43Å; V130-Y165 HydrophobicContact CG2-CE2 4.46Å
131A97.7Very high95Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-62.5-42.8175.200000112.4F21 W86 L90 L127 V128 A129 M133 E134 L135 L171F21-A131 HydrophobicContact CE1-CB 4.08Å; F21-A131 HydrophobicContact CE2-CB 4.5Å; F21-A131 HydrophobicContact CZ-CB 3.73Å; W86-A131 HydrophobicContact CZ2-CB 4.38Å; L90-A131 HydrophobicContact CD1-CB 3.65Å; L127-A131 PolarHBondContact O-N 3.23Å; V128-A131 WeakPolarHBondContact O-CB 3.38Å; V128-A131 PolarHBondContact O-N 3.42Å; A129-A131 VanDerWaalsContact C-N 3.3Å; A129-A131 PolarHBondContact O-N 3.3Å; A131-M133 VanDerWaalsContact C-N 3.31Å; A131-M133 PolarHBondContact O-N 2.71Å; A131-E134 PolarHBondContact O-N 3.39Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.22Å; A131-L135 PolarHBondContact O-N 2.8Å; A131-L171 HydrophobicContact CB-CD1 4.09Å
132L97.8Very high96.1Very high0 Ų016.6 Ų16.60%010%0.099CC..Hα-helixtrans-61.4-40.5175.6-64.4173000111.8I14 H16 F21 V128 A129 V130 L135 G136 M137 A142 L145 I146I14-L132 HydrophobicContact CG2-CD1 4.23Å; I14-L132 HydrophobicContact CG2-CD2 4.17Å; H16-L132 HydrophobicContact CB-CD2 3.37Å; F21-L132 HydrophobicContact CE2-CD2 4.39Å; V128-L132 HydrophobicContact CG1-CD1 4.41Å; V128-L132 WeakPolarHBondContact O-CG 3.45Å; V128-L132 PolarHBondContact O-N 3.42Å; A129-L132 WeakPolarHBondContact O-CB 3.24Å; A129-L132 PolarHBondContact O-N 2.93Å; A129-L132 VanDerWaalsContact O-N 3.15Å; V130-L132 PolarHBondContact O-N 2.8Å; L132-L135 CarbonylContact O-C 3.57Å; L132-L135 WeakPolarHBondContact O-CB 3.18Å; L132-L135 PolarHBondContact O-N 2.95Å; L132-G136 PolarHBondContact O-N 3.03Å; L132-M137 HydrophobicContact CB-CB 4.23Å; L132-M137 HydrophobicContact CB-SD 3.99Å; L132-M137 HydrophobicContact CD1-SD 4.12Å; L132-M137 HydrophobicContact CD2-CE 4.44Å; L132-M137 HydrophobicContact CG-SD 4.5Å; L132-M137 WeakPolarHBondContact O-CB 3.27Å; L132-M137 PolarHBondContact O-N 2.77Å; L132-A142 HydrophobicContact CB-CB 4.14Å; L132-A142 HydrophobicContact CD1-CB 4.29Å; L132-L145 HydrophobicContact CD1-CD2 4.05Å; L132-I146 HydrophobicContact CD1-CD1 4.09Å; L132-I146 HydrophobicContact CD1-CG1 4.35Å
133M97.6Very high96.6Very high10 Ų1016.6 Ų16.65%0.04910%0.095CC..Hα-helixtrans-67.3-40.9177.3-67.2173.871.600112.3A129 V130 A131 L135 G136 M137 A142 L162 Y165A129-M133 WeakPolarHBondContact O-CG 3.36Å; A129-M133 PolarHBondContact O-N 3.12Å; V130-M133 PolarHBondContact O-N 3.08Å; A131-M133 VanDerWaalsContact C-N 3.31Å; A131-M133 PolarHBondContact O-N 2.71Å; M133-L135 PolarHBondContact O-N 3.02Å; M133-G136 VanDerWaalsContact O-CA 3.3Å; M133-G136 WeakPolarHBondContact O-CA 3.21Å; M133-G136 PolarHBondContact O-N 2.81Å; M133-M137 WeakPolarHBondContact CA-O 3.24Å; M133-A142 HydrophobicContact CG-CB 4.07Å; M133-L162 VanDerWaalsContact CE-O 3.29Å; M133-L162 WeakPolarHBondContact CE-O 3.22Å; M133-L162 HydrophobicContact SD-CD2 4.16Å; M133-Y165 HydrophobicContact CB-CD1 4.41Å; M133-Y165 HydrophobicContact CE-CD1 3.79Å; M133-Y165 HydrophobicContact CE-CG 4.37Å; M133-Y165 WeakPolarHBondContact CE-O 3.2Å; M133-Y165 HydrophobicContact SD-CD1 4.15Å
134E96.4Very high96.9Very high0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-64.3-28173-74.4-65.8163.600112.8F87 V130 A131 G136 Y165 A167 H168 S169 R170 L171 R172F87-E134 HydrophobicContact CE1-CB 4.28Å; F87-E134 HydrophobicContact CE1-CG 3.67Å; F87-E134 HydrophobicContact CZ-CG 3.63Å; V130-E134 WeakPolarHBondContact O-CG 3.48Å; V130-E134 PolarHBondContact O-N 3.24Å; A131-E134 PolarHBondContact O-N 3.39Å; E134-G136 PolarHBondContact O-N 3.28Å; E134-Y165 HydrophobicContact CG-CE1 4.27Å; E134-Y165 WeakPolarHBondContact OE1-CE1 3.14Å; E134-Y165 PolarHBondContact OE1-OH 3.19Å; E134-A167 VanDerWaalsContact OE1-CA 3.32Å; E134-A167 WeakPolarHBondContact OE1-CA 3.45Å; E134-H168 PolarHBondContact OE1-N 2.95Å; E134-H168 PolarHBondContact OE2-N 3.41Å; E134-S169 WeakPolarHBondContact OE2-CA 3.38Å; E134-S169 PolarHBondContact OE2-N 3.29Å; E134-R170 PolarHBondContact OE2-N 3.29Å; E134-L171 HydrophobicContact CB-CB 4.06Å; E134-L171 HydrophobicContact CB-CD1 3.86Å; E134-L171 HydrophobicContact CB-CG 3.89Å; E134-R172 WeakPolarHBondContact O-CG 3.12Å
135L94.5Very high97.1Very high4 Ų425 Ų252%0.02114%0.136CC..THydrogen-bonded Turntrans-74.9-5.7168.7-70169.5000113.1K17 M19 A131 L132 M133 L171K17-L135 HydrophobicContact CB-CD2 4.34Å; K17-L135 HydrophobicContact CD-CB 4.29Å; K17-L135 WeakPolarHBondContact CD-O 3.47Å; K17-L135 WeakPolarHBondContact CE-O 3.41Å; K17-L135 PolarHBondContact NZ-O 3.12Å; M19-L135 HydrophobicContact CB-CD1 4.22Å; M19-L135 HydrophobicContact CE-CD2 3.94Å; M19-L135 HydrophobicContact CG-CD1 4.08Å; M19-L135 HydrophobicContact CG-CD2 4.46Å; M19-L135 HydrophobicContact SD-CD1 3.76Å; M19-L135 HydrophobicContact SD-CD2 4Å; M19-L135 HydrophobicContact SD-CG 4.19Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.22Å; A131-L135 PolarHBondContact O-N 2.8Å; L132-L135 CarbonylContact O-C 3.57Å; L132-L135 WeakPolarHBondContact O-CB 3.18Å; L132-L135 PolarHBondContact O-N 2.95Å; M133-L135 PolarHBondContact O-N 3.02Å; L135-L171 HydrophobicContact CD2-CB 3.99Å; L135-L171 HydrophobicContact CG-CB 4.31Å; L135-L171 HydrophobicContact CG-CD1 4.33Å
136G94.4Very high97.1Very high30 Ų3025 Ų2531%0.30914%0.136SC..THydrogen-bonded Turntrans98.117.2174.500000115.7L132 M133 E134L132-G136 PolarHBondContact O-N 3.03Å; M133-G136 VanDerWaalsContact O-CA 3.3Å; M133-G136 WeakPolarHBondContact O-CA 3.21Å; M133-G136 PolarHBondContact O-N 2.81Å; E134-G136 PolarHBondContact O-N 3.28Å
137M96.6Very high97.1Very high30 Ų3029.4 Ų29.415%0.14815%0.152CC..  trans-74.5147.5166.4-168170.1-72.900110.2H16 L132 M133 D141 A142 L145H16-M137 WeakPolarHBondContact CE1-CE 3.45Å; H16-M137 WeakPolarHBondContact ND1-CE 3.41Å; L132-M137 HydrophobicContact CB-CB 4.23Å; L132-M137 HydrophobicContact CB-SD 3.99Å; L132-M137 HydrophobicContact CD1-SD 4.12Å; L132-M137 HydrophobicContact CD2-CE 4.44Å; L132-M137 HydrophobicContact CG-SD 4.5Å; L132-M137 WeakPolarHBondContact O-CB 3.27Å; L132-M137 PolarHBondContact O-N 2.77Å; M133-M137 WeakPolarHBondContact CA-O 3.24Å; M137-D141 HydrophobicContact CG-CB 3.58Å; M137-D141 HydrophobicContact SD-CB 4.1Å; M137-A142 HydrophobicContact CG-CB 4.11Å; M137-A142 WeakPolarHBondContact SD-CA 3.31Å; M137-A142 HydrophobicContact SD-CB 3.81Å; M137-A142 PolarHBondContact SD-N 2.8Å; M137-L145 HydrophobicContact CE-CD2 3.88Å; M137-L145 HydrophobicContact SD-CD2 4.13Å
138S97.5Very high97.1Very high41 Ų4133.3 Ų33.329%0.28718%0.18SC..  trans-67.8160.8170.267.30000110.5E140 D141 A142S138-E140 VanDerWaalsContact C-N 3.27Å; S138-E140 PolarHBondContact O-N 2.99Å; S138-D141 VanDerWaalsContact OG-CB 3.25Å; S138-D141 WeakPolarHBondContact OG-CB 3.48Å; S138-D141 PolarHBondContact OG-N 2.92Å; S138-D141 PolarHBondContact OG-OD2 2.78Å; S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.15Å
139S97.4Very high97Very high15 Ų1538.5 Ų38.511%0.10520%0.202CC..Hα-helixtrans-58.7-42.7172.530.90000111.6A142 I143S139-A142 PolarHBondContact O-N 3.14Å; S139-I143 WeakPolarHBondContact O-CB 3.49Å; S139-I143 WeakPolarHBondContact O-CD1 3.4Å; S139-I143 WeakPolarHBondContact O-CG1 3.23Å; S139-I143 PolarHBondContact O-N 2.87Å
140E97.6Very high96.7Very high115 Ų11538.9 Ų38.954%0.53720%0.204SC..Hα-helixtrans-60.6-52.4-178.7-66.573.7-165.900110.4S138 A142 I143 E144S138-E140 VanDerWaalsContact C-N 3.27Å; S138-E140 PolarHBondContact O-N 2.99Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 2.86Å; E140-I143 PolarHBondContact O-N 2.73Å; E140-E144 WeakPolarHBondContact O-CB 3.49Å; E140-E144 PolarHBondContact O-N 2.92Å
141D98.2Very high96.4Very high87 Ų8747.6 Ų47.647%0.46524%0.242SC..Hα-helixtrans-66.2-37.6-179-64.5-17.1000111.4M137 S138 E144 L145M137-D141 HydrophobicContact CG-CB 3.58Å; M137-D141 HydrophobicContact SD-CB 4.1Å; S138-D141 VanDerWaalsContact OG-CB 3.25Å; S138-D141 WeakPolarHBondContact OG-CB 3.48Å; S138-D141 PolarHBondContact OG-N 2.92Å; S138-D141 PolarHBondContact OG-OD2 2.78Å; D141-E144 PolarHBondContact O-N 2.9Å; D141-L145 WeakPolarHBondContact O-CB 3.46Å; D141-L145 PolarHBondContact O-N 2.89Å
142A98.2Very high95.9Very high0 Ų050.5 Ų50.50%027%0.272CS..Hα-helixtrans-65.8-44178.300000111.7L132 M133 M137 S138 S139 E140 I146L132-A142 HydrophobicContact CB-CB 4.14Å; L132-A142 HydrophobicContact CD1-CB 4.29Å; M133-A142 HydrophobicContact CG-CB 4.07Å; M137-A142 HydrophobicContact CG-CB 4.11Å; M137-A142 WeakPolarHBondContact SD-CA 3.31Å; M137-A142 HydrophobicContact SD-CB 3.81Å; M137-A142 PolarHBondContact SD-N 2.8Å; S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.15Å; S139-A142 PolarHBondContact O-N 3.14Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 2.86Å; A142-I146 WeakPolarHBondContact O-CG1 3.33Å; A142-I146 PolarHBondContact O-N 3.25Å; A142-I146 VanDerWaalsContact O-N 3.16Å
143I97.5Very high95.7Very high14 Ų1450.5 Ų50.57%0.07227%0.272CS..Hα-helixtrans-63.8-47.6176.2-70.4165.1000110.2S139 E140 I146 R147 F154 I159 L162 T163S139-I143 WeakPolarHBondContact O-CB 3.49Å; S139-I143 WeakPolarHBondContact O-CD1 3.4Å; S139-I143 WeakPolarHBondContact O-CG1 3.23Å; S139-I143 PolarHBondContact O-N 2.87Å; E140-I143 PolarHBondContact O-N 2.73Å; I143-I146 PolarHBondContact O-N 3.33Å; I143-R147 HydrophobicContact CG2-CG 4.47Å; I143-R147 WeakPolarHBondContact O-CB 3.43Å; I143-R147 WeakPolarHBondContact O-CG 3.43Å; I143-R147 PolarHBondContact O-N 2.97Å; I143-F154 HydrophobicContact CB-CE2 4.34Å; I143-F154 HydrophobicContact CG1-CD2 4.49Å; I143-F154 HydrophobicContact CG1-CE2 4.3Å; I143-F154 HydrophobicContact CG2-CD2 4.04Å; I143-F154 HydrophobicContact CG2-CE2 4.19Å; I143-I159 HydrophobicContact CD1-CG2 4.26Å; I143-L162 HydrophobicContact CD1-CB 4.01Å; I143-L162 HydrophobicContact CD1-CD1 4.23Å; I143-L162 HydrophobicContact CG1-CB 4.4Å; I143-L162 HydrophobicContact CG1-CD1 3.82Å; I143-T163 HydrophobicContact CD1-CG2 4.31Å
144E97.6Very high95.4Very high132 Ų13250.7 Ų50.762%0.61727%0.273SS*.Hα-helixtrans-62.5-47179.9-175.3174.8-173.600111.5E140 D141 I146 R147 S148E140-E144 WeakPolarHBondContact O-CB 3.49Å; E140-E144 PolarHBondContact O-N 2.92Å; D141-E144 PolarHBondContact O-N 2.9Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.82Å; E144-R147 PolarHBondContact O-N 2.89Å; E144-S148 WeakPolarHBondContact O-CB 3.39Å; E144-S148 PolarHBondContact O-N 2.79Å
145L98.1Very high95.1Very high46 Ų4653.9 Ų53.924%0.24129%0.29CS..Hα-helixtrans-56.2-48.1178.4175.859.8000111.2I14 L132 M137 D141 S148I14-L145 HydrophobicContact CG2-CD2 4.17Å; L132-L145 HydrophobicContact CD1-CD2 4.05Å; M137-L145 HydrophobicContact CE-CD2 3.88Å; M137-L145 HydrophobicContact SD-CD2 4.13Å; D141-L145 WeakPolarHBondContact O-CB 3.46Å; D141-L145 PolarHBondContact O-N 2.89Å; L145-S148 PolarHBondContact O-OG 2.91Å
146I96.9Very high95Very high0 Ų060.2 Ų60.20%032%0.324CS..Hα-helixtrans-66.8-44.1179.8-71164.3000110.8I14 I23 P125 V128 A129 L132 A142 I143 E144 S148 K149 R150 A153 F154I14-I146 HydrophobicContact CD1-CB 4.4Å; I14-I146 HydrophobicContact CD1-CD1 4.42Å; I14-I146 HydrophobicContact CD1-CG1 3.48Å; I14-I146 VanDerWaalsContact CD1-CG1 3.48Å; I23-I146 HydrophobicContact CD1-CG2 4.33Å; P125-I146 HydrophobicContact CB-CG2 4.1Å; V128-I146 HydrophobicContact CB-CD1 4.4Å; V128-I146 HydrophobicContact CG1-CD1 4.26Å; A129-I146 HydrophobicContact CB-CD1 3.67Å; L132-I146 HydrophobicContact CD1-CD1 4.09Å; L132-I146 HydrophobicContact CD1-CG1 4.35Å; A142-I146 WeakPolarHBondContact O-CG1 3.33Å; A142-I146 PolarHBondContact O-N 3.25Å; A142-I146 VanDerWaalsContact O-N 3.16Å; I143-I146 PolarHBondContact O-N 3.33Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.82Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.06Å; I146-K149 PolarHBondContact O-N 2.83Å; I146-R150 PolarHBondContact O-N 3.1Å; I146-A153 HydrophobicContact CG2-CB 3.71Å; I146-F154 HydrophobicContact CB-CE2 3.89Å; I146-F154 HydrophobicContact CB-CZ 3.95Å; I146-F154 HydrophobicContact CD1-CE2 4.44Å; I146-F154 HydrophobicContact CD1-CZ 3.7Å; I146-F154 HydrophobicContact CG1-CZ 4.4Å; I146-F154 HydrophobicContact CG2-CE2 3.76Å; I146-F154 HydrophobicContact CG2-CZ 3.73Å
147R96Very high94.8Very high93 Ų9365.6 Ų65.635%0.35134%0.335SS..Hα-helixtrans-65.5-33.2179.2-78.6179.3165.9177.7-7.6113.5I143 E144 K149 R150 K151 A153 F154I143-R147 HydrophobicContact CG2-CG 4.47Å; I143-R147 WeakPolarHBondContact O-CB 3.43Å; I143-R147 WeakPolarHBondContact O-CG 3.43Å; I143-R147 PolarHBondContact O-N 2.97Å; E144-R147 PolarHBondContact O-N 2.89Å; R147-K149 PolarHBondContact O-N 3.24Å; R147-R150 CarbonylContact O-C 3.52Å; R147-K151 PolarHBondContact O-N 3.01Å; R147-A153 HydrophobicContact CG-CB 4.23Å; R147-A153 PolarHBondContact NE-O 3.28Å; R147-A153 PolarHBondContact NH2-O 2.87Å; R147-F154 HydrophobicContact CG-CD2 4.21Å; R147-F154 HydrophobicContact CG-CE2 4.4Å; R147-F154 PolarHBondContact NH2-O 2.86Å
148S96.4Very high94.7Very high83 Ų8364.4 Ų64.458%0.5833%0.329SS*.Hα-helixtrans-61.1-31.8177.176.40000112E144 L145 I146E144-S148 WeakPolarHBondContact O-CB 3.39Å; E144-S148 PolarHBondContact O-N 2.79Å; L145-S148 PolarHBondContact O-OG 2.91Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.06Å
149K95.2Very high94.6Very high108 Ų10864.2 Ų64.247%0.4732%0.324SS..Hα-helixtrans-100.9-28-179.2-62-178.2172.4-178.40113.7T12 D13 I14 I146 R147T12-K149 HydrophobicContact CG2-CB 3.67Å; D13-K149 VanDerWaalsContact O-CD 3.25Å; D13-K149 WeakPolarHBondContact O-CD 3.41Å; D13-K149 PolarHBondContact O-NZ 3.23Å; I14-K149 HydrophobicContact CG1-CD 4.27Å; I146-K149 PolarHBondContact O-N 2.83Å; R147-K149 PolarHBondContact O-N 3.24Å
150R92.4Very high94.5Very high8 Ų869.4 Ų69.43%0.0335%0.346CS..SBendtrans-13286.3178.2-161.2169.8-167.7112.2-6.3110.3I10 T12 I23 A119 G120 Y121 I146 R147 G152 A153I10-R150 PolarHBondContact O-NH1 2.98Å; T12-R150 HydrophobicContact CG2-CB 3.9Å; T12-R150 WeakPolarHBondContact OG1-CD 3Å; T12-R150 PolarHBondContact OG1-NH1 3.35Å; I23-R150 PolarHBondContact O-NH1 2.87Å; A119-R150 PolarHBondContact O-NH2 3Å; G120-R150 WeakPolarHBondContact O-CD 3.32Å; G120-R150 PolarHBondContact O-NE 2.87Å; Y121-R150 HydrophobicContact CD1-CG 3.97Å; Y121-R150 HydrophobicContact CE1-CG 3.83Å; I146-R150 PolarHBondContact O-N 3.1Å; R147-R150 CarbonylContact O-C 3.52Å; R150-G152 PolarHBondContact O-N 3.44Å; R150-A153 WeakPolarHBondContact O-CB 3.36Å; R150-A153 PolarHBondContact O-N 3.36Å; R150-A153 VanDerWaalsContact O-N 3.14Å
151K89.9Confident94.4Very high183 Ų18366.1 Ų66.180%0.79633%0.33SS*.THydrogen-bonded Turntrans-54133.4177-65.6-175.6-179.6-1790110.1R147R147-K151 PolarHBondContact O-N 3.01Å
152G88.7Confident94.4Very high62 Ų6262 Ų6264%0.63931%0.307SS*.THydrogen-bonded Turntrans866.6-178.200000115.2R150R150-G152 PolarHBondContact O-N 3.44Å
153A92.6Very high94.3Very high0 Ų064.9 Ų64.90%033%0.325CS..  trans-62.7141169.400000111.6Y121 P125 I146 R147 R150Y121-A153 WeakPolarHBondContact O-CA 3.42Å; P125-A153 HydrophobicContact CB-CB 4.29Å; P125-A153 HydrophobicContact CG-CB 4.33Å; I146-A153 HydrophobicContact CG2-CB 3.71Å; R147-A153 HydrophobicContact CG-CB 4.23Å; R147-A153 PolarHBondContact NE-O 3.28Å; R147-A153 PolarHBondContact NH2-O 2.87Å; R150-A153 WeakPolarHBondContact O-CB 3.36Å; R150-A153 PolarHBondContact O-N 3.36Å; R150-A153 VanDerWaalsContact O-N 3.14Å
154F91.3Very high94.3Very high13 Ų1368.4 Ų68.46%0.05734%0.344CS..  trans68.7130.4179.6-39.9-71.3000115.4Y121 P125 V126 A129 I143 I146 R147 Q158 I159 L162Y121-F154 PolarHBondContact O-N 3.29Å; P125-F154 HydrophobicContact CB-CD1 4.09Å; P125-F154 HydrophobicContact CB-CE1 3.47Å; P125-F154 VanDerWaalsContact CB-CE1 3.47Å; P125-F154 HydrophobicContact CB-CZ 3.8Å; V126-F154 HydrophobicContact CG2-CD1 3.85Å; V126-F154 HydrophobicContact CG2-CE1 4.03Å; A129-F154 HydrophobicContact CB-CE1 4.17Å; A129-F154 HydrophobicContact CB-CZ 4.02Å; I143-F154 HydrophobicContact CB-CE2 4.34Å; I143-F154 HydrophobicContact CG1-CD2 4.49Å; I143-F154 HydrophobicContact CG1-CE2 4.3Å; I143-F154 HydrophobicContact CG2-CD2 4.04Å; I143-F154 HydrophobicContact CG2-CE2 4.19Å; I146-F154 HydrophobicContact CB-CE2 3.89Å; I146-F154 HydrophobicContact CB-CZ 3.95Å; I146-F154 HydrophobicContact CD1-CE2 4.44Å; I146-F154 HydrophobicContact CD1-CZ 3.7Å; I146-F154 HydrophobicContact CG1-CZ 4.4Å; I146-F154 HydrophobicContact CG2-CE2 3.76Å; I146-F154 HydrophobicContact CG2-CZ 3.73Å; R147-F154 HydrophobicContact CG-CD2 4.21Å; R147-F154 HydrophobicContact CG-CE2 4.4Å; R147-F154 PolarHBondContact NH2-O 2.86Å; F154-Q158 HydrophobicContact CB-CB 4.21Å; F154-Q158 HydrophobicContact CD1-CB 4.39Å; F154-I159 HydrophobicContact CB-CG1 3.83Å; F154-L162 HydrophobicContact CD1-CD1 3.73Å; F154-L162 HydrophobicContact CE1-CD1 3.54Å; F154-L162 HydrophobicContact CG-CD1 4.34Å; F154-L162 HydrophobicContact CZ-CD1 4.02Å
155N90.7Very high94.2Very high68 Ų6863.3 Ų63.336%0.36432%0.319SS..  trans-86.8171.6160.367.440.5000111.2R157 Q158 I159N155-R157 VanDerWaalsContact C-N 3.28Å; N155-R157 PolarHBondContact O-N 3.12Å; N155-R157 WeakPolarHBondContact OD1-CB 3.35Å; N155-R157 PolarHBondContact OD1-N 2.87Å; N155-R157 VanDerWaalsContact OD1-N 3.1Å; N155-Q158 VanDerWaalsContact N-OE1 3.07Å; N155-Q158 WeakPolarHBondContact O-CB 3.07Å; N155-Q158 PolarHBondContact O-N 3.49Å; N155-Q158 WeakPolarHBondContact OD1-CG 3.48Å; N155-Q158 PolarHBondContact OD1-N 3.2Å; N155-I159 WeakPolarHBondContact O-CG1 3.27Å; N155-I159 PolarHBondContact O-N 3Å
156D91.3Very high94Very high136 Ų13667.9 Ų67.973%0.72734%0.339SS*.Hα-helixtrans-59.2-36.7-176.5-61.7-24.9000113.4Q158 I159 H160D156-Q158 VanDerWaalsContact C-N 3.33Å; D156-Q158 PolarHBondContact O-N 2.7Å; D156-I159 PolarHBondContact O-N 2.9Å; D156-H160 WeakPolarHBondContact O-CB 3.48Å; D156-H160 PolarHBondContact O-N 2.98Å
157R91.7Very high93.8Very high144 Ų14470 Ų7054%0.54336%0.356SS..Hα-helixtrans-65.1-38177-172.9174.9-178.8-142.11.7111.6G75 S76 N155 Y161G75-R157 WeakPolarHBondContact O-CD 3.49Å; G75-R157 PolarHBondContact O-NH1 3.49Å; S76-R157 PolarHBondContact OG-NH1 3.29Å; N155-R157 VanDerWaalsContact C-N 3.28Å; N155-R157 PolarHBondContact O-N 3.12Å; N155-R157 WeakPolarHBondContact OD1-CB 3.35Å; N155-R157 PolarHBondContact OD1-N 2.87Å; N155-R157 VanDerWaalsContact OD1-N 3.1Å; R157-Y161 PolarHBondContact O-N 3.33Å
158Q92.9Very high93.5Very high4 Ų471.1 Ų71.12%0.01937%0.365CS..Hα-helixtrans-73.2-39177.1-70.8168.9-27.100112V126 F154 N155 D156 H160 Y161 L162V126-Q158 HydrophobicContact CG2-CB 3.81Å; V126-Q158 HydrophobicContact CG2-CG 3.73Å; F154-Q158 HydrophobicContact CB-CB 4.21Å; F154-Q158 HydrophobicContact CD1-CB 4.39Å; N155-Q158 VanDerWaalsContact N-OE1 3.07Å; N155-Q158 WeakPolarHBondContact O-CB 3.07Å; N155-Q158 PolarHBondContact O-N 3.49Å; N155-Q158 WeakPolarHBondContact OD1-CG 3.48Å; N155-Q158 PolarHBondContact OD1-N 3.2Å; D156-Q158 VanDerWaalsContact C-N 3.33Å; D156-Q158 PolarHBondContact O-N 2.7Å; Q158-H160 VanDerWaalsContact C-N 3.35Å; Q158-Y161 PolarHBondContact O-N 2.82Å; Q158-L162 VanDerWaalsContact O-CG 3.3Å; Q158-L162 WeakPolarHBondContact O-CG 3.49Å; Q158-L162 PolarHBondContact O-N 2.83Å
159I95.1Very high93Very high37 Ų3769.3 Ų69.319%0.1935%0.353CS..Hα-helixtrans-59-50.5171.5-63.5165000109.3I143 F154 N155 D156 Y161 L162 T163I143-I159 HydrophobicContact CD1-CG2 4.26Å; F154-I159 HydrophobicContact CB-CG1 3.83Å; N155-I159 WeakPolarHBondContact O-CG1 3.27Å; N155-I159 PolarHBondContact O-N 3Å; D156-I159 PolarHBondContact O-N 2.9Å; I159-Y161 VanDerWaalsContact C-N 3.29Å; I159-Y161 PolarHBondContact O-N 3.32Å; I159-L162 PolarHBondContact O-N 3.46Å; I159-L162 VanDerWaalsContact O-N 3.07Å; I159-T163 HydrophobicContact CG2-CG2 4.14Å; I159-T163 WeakPolarHBondContact O-CG2 3.42Å; I159-T163 PolarHBondContact O-N 3.12Å; I159-T163 PolarHBondContact O-OG1 2.99Å
160H95.7Very high92.6Very high125 Ų12567 Ų6758%0.57934%0.341SS*.Hα-helixtrans-58.4-41.3179-178.177.8000112.1D156 Q158 T163 N164D156-H160 WeakPolarHBondContact O-CB 3.48Å; D156-H160 PolarHBondContact O-N 2.98Å; Q158-H160 VanDerWaalsContact C-N 3.35Å; H160-T163 PolarHBondContact O-OG1 2.7Å; H160-T163 VanDerWaalsContact O-OG1 3.09Å; H160-N164 PolarHBondContact CE1-ND2 3.41Å; H160-N164 VanDerWaalsContact CE1-ND2 3.29Å; H160-N164 PolarHBondContact ND1-ND2 2.89Å; H160-N164 PolarHBondContact O-N 3.43Å; H160-N164 PolarHBondContact O-ND2 3.48Å
161Y96.2Very high92.4Very high46 Ų4666.6 Ų66.618%0.1834%0.34CS..Hα-helixtrans-59.8-49.6173167.1-104.3000111.8P77 P78 V126 V130 R157 Q158 I159 T163 N164 Y165P77-Y161 HydrophobicContact CB-CD1 3.86Å; P77-Y161 HydrophobicContact CB-CD2 3.32Å; P77-Y161 HydrophobicContact CB-CE1 3.99Å; P77-Y161 HydrophobicContact CB-CE2 3.44Å; P77-Y161 VanDerWaalsContact CB-CE2 3.44Å; P77-Y161 HydrophobicContact CB-CG 3.53Å; P77-Y161 HydrophobicContact CG-CD2 4.01Å; P77-Y161 HydrophobicContact CG-CE2 4.31Å; P77-Y161 HydrophobicContact CG-CG 4.43Å; P78-Y161 HydrophobicContact CG-CE1 4.35Å; V126-Y161 HydrophobicContact CG1-CD1 3.96Å; V126-Y161 HydrophobicContact CG1-CE1 3.82Å; V130-Y161 HydrophobicContact CG2-CE1 3.86Å; R157-Y161 PolarHBondContact O-N 3.33Å; Q158-Y161 PolarHBondContact O-N 2.82Å; I159-Y161 VanDerWaalsContact C-N 3.29Å; I159-Y161 PolarHBondContact O-N 3.32Å; Y161-T163 PolarHBondContact O-N 3.11Å; Y161-N164 CarbonylContact O-C 3.43Å; Y161-N164 PolarHBondContact O-N 3.12Å; Y161-Y165 HydrophobicContact CE1-CD2 4.42Å; Y161-Y165 HydrophobicContact CE2-CD2 4.29Å; Y161-Y165 AromaticContact CZ-CD2 3.8Å; Y161-Y165 PolarHBondContact O-N 2.81Å; Y161-Y165 WeakPolarHBondContact OH-CD2 3.45Å
162L97.1Very high91.9Very high0 Ų063.4 Ų63.40%032%0.323CS..Hα-helixtrans-64.7-40.2-177.8-70.1172.2000112.3V126 A129 V130 M133 I143 F154 Q158 I159 N164 Y165V126-L162 HydrophobicContact CG1-CD2 4.29Å; A129-L162 HydrophobicContact CB-CD1 3.77Å; A129-L162 HydrophobicContact CB-CD2 3.69Å; A129-L162 HydrophobicContact CB-CG 4.4Å; V130-L162 HydrophobicContact CG2-CD2 3.85Å; M133-L162 VanDerWaalsContact CE-O 3.29Å; M133-L162 WeakPolarHBondContact CE-O 3.22Å; M133-L162 HydrophobicContact SD-CD2 4.16Å; I143-L162 HydrophobicContact CD1-CB 4.01Å; I143-L162 HydrophobicContact CD1-CD1 4.23Å; I143-L162 HydrophobicContact CG1-CB 4.4Å; I143-L162 HydrophobicContact CG1-CD1 3.82Å; F154-L162 HydrophobicContact CD1-CD1 3.73Å; F154-L162 HydrophobicContact CE1-CD1 3.54Å; F154-L162 HydrophobicContact CG-CD1 4.34Å; F154-L162 HydrophobicContact CZ-CD1 4.02Å; Q158-L162 VanDerWaalsContact O-CG 3.3Å; Q158-L162 WeakPolarHBondContact O-CG 3.49Å; Q158-L162 PolarHBondContact O-N 2.83Å; I159-L162 PolarHBondContact O-N 3.46Å; I159-L162 VanDerWaalsContact O-N 3.07Å; L162-N164 PolarHBondContact O-N 3.36Å; L162-Y165 WeakPolarHBondContact O-CB 3.36Å; L162-Y165 PolarHBondContact O-N 3.47Å
163T96.9Very high91Very high61 Ų6166.5 Ų66.537%0.37432%0.315SS..Hα-helixtrans-68.9-21.9178.158.90000113.1I143 I159 H160 Y161I143-T163 HydrophobicContact CD1-CG2 4.31Å; I159-T163 HydrophobicContact CG2-CG2 4.14Å; I159-T163 WeakPolarHBondContact O-CG2 3.42Å; I159-T163 PolarHBondContact O-N 3.12Å; I159-T163 PolarHBondContact O-OG1 2.99Å; H160-T163 PolarHBondContact O-OG1 2.7Å; H160-T163 VanDerWaalsContact O-OG1 3.09Å; Y161-T163 PolarHBondContact O-N 3.11Å
164N97Very high89.2Confident88 Ų8872.5 Ų72.547%0.47134%0.343SS..THydrogen-bonded Turntrans-101.72.4175.2-68-81.8000112.8H160 Y161 L162 H166H160-N164 PolarHBondContact CE1-ND2 3.41Å; H160-N164 VanDerWaalsContact CE1-ND2 3.29Å; H160-N164 PolarHBondContact ND1-ND2 2.89Å; H160-N164 PolarHBondContact O-N 3.43Å; H160-N164 PolarHBondContact O-ND2 3.48Å; Y161-N164 CarbonylContact O-C 3.43Å; Y161-N164 PolarHBondContact O-N 3.12Å; L162-N164 PolarHBondContact O-N 3.36Å; N164-H166 PolarHBondContact O-N 3.39Å
165Y96.9Very high87.1Confident24 Ų2479.3 Ų79.39%0.09438%0.38CS..PPolyproline II helixtrans-77.3122.1178.4-179.8-91.1000110L83 V130 M133 E134 Y161 L162 A167L83-Y165 HydrophobicContact CD1-CE2 4.27Å; V130-Y165 HydrophobicContact CG1-CE1 3.97Å; V130-Y165 HydrophobicContact CG1-CE2 4.02Å; V130-Y165 HydrophobicContact CG2-CD2 4.43Å; V130-Y165 HydrophobicContact CG2-CE2 4.46Å; M133-Y165 HydrophobicContact CB-CD1 4.41Å; M133-Y165 HydrophobicContact CE-CD1 3.79Å; M133-Y165 HydrophobicContact CE-CG 4.37Å; M133-Y165 WeakPolarHBondContact CE-O 3.2Å; M133-Y165 HydrophobicContact SD-CD1 4.15Å; E134-Y165 HydrophobicContact CG-CE1 4.27Å; E134-Y165 WeakPolarHBondContact OE1-CE1 3.14Å; E134-Y165 PolarHBondContact OE1-OH 3.19Å; Y161-Y165 HydrophobicContact CE1-CD2 4.42Å; Y161-Y165 HydrophobicContact CE2-CD2 4.29Å; Y161-Y165 AromaticContact CZ-CD2 3.8Å; Y161-Y165 PolarHBondContact O-N 2.81Å; Y161-Y165 WeakPolarHBondContact OH-CD2 3.45Å; L162-Y165 WeakPolarHBondContact O-CB 3.36Å; L162-Y165 PolarHBondContact O-N 3.47Å; Y165-A167 HydrophobicContact CE1-CB 4.4Å
166H93.7Very high85.1Confident143 Ų14384.4 Ų84.466%0.66240%0.401SS*.PPolyproline II helixtrans-97.5118.2175.6-63.8-64.6000110.2N164 H168N164-H166 PolarHBondContact O-N 3.39Å; H166-H168 PolarHBondContact O-CE1 3Å; H166-H168 PolarHBondContact O-N 2.98Å; H166-H168 PolarHBondContact O-ND1 2.97Å
167A92.4Very high82.8Confident43 Ų4386.6 Ų86.636%0.35540%0.399SS..PPolyproline II helixtrans-68.9131.6177.600000111.1E134 Y165E134-A167 VanDerWaalsContact OE1-CA 3.32Å; E134-A167 WeakPolarHBondContact OE1-CA 3.45Å; Y165-A167 HydrophobicContact CE1-CB 4.4Å
168H90.1Very high80.6Confident117 Ų11782.4 Ų82.454%0.54239%0.392SS..  trans-99.414179.3-57.182.5000112.3E134 H166 R170E134-H168 PolarHBondContact OE1-N 2.95Å; E134-H168 PolarHBondContact OE2-N 3.41Å; H166-H168 PolarHBondContact O-CE1 3Å; H166-H168 PolarHBondContact O-N 2.98Å; H166-H168 PolarHBondContact O-ND1 2.97Å; H168-R170 HydrophobicContact CB-CG 3.93Å; H168-R170 PolarHBondContact O-N 3.15Å
169S85.5Confident78.2Confident46 Ų4689.4 Ų89.432%0.32242%0.422SS..  trans59.629.3-177.1-58.30000113.9E134 L171 R172E134-S169 WeakPolarHBondContact OE2-CA 3.38Å; E134-S169 PolarHBondContact OE2-N 3.29Å; S169-L171 PolarHBondContact O-N 3.12Å; S169-L171 VanDerWaalsContact O-N 3.14Å; S169-R172 PolarHBondContact O-N 3Å; S169-R172 VanDerWaalsContact O-N 3.15Å
170R86.8Confident75.7Confident58 Ų5894.2 Ų94.222%0.21945%0.447CS..THydrogen-bonded Turntrans-64.4-21.2-176.4-58.3-179.4-171.5-165.58.5113.1E80 F87 E134 H168E80-R170 IonicContact OE1-CZ 3.99Å; E80-R170 IonicContact OE1-NH1 2.67Å; E80-R170 PolarHBondContact OE1-NH1 3.08Å; E80-R170 IonicContact OE1-NH2 3.65Å; E80-R170 PolarHBondContact OE1-NH2 3.27Å; E80-R170 IonicContact OE2-NH2 2.66Å; F87-R170 HydrophobicContact CD2-CB 4.17Å; F87-R170 HydrophobicContact CD2-CG 4.41Å; F87-R170 HydrophobicContact CG-CB 4.27Å; E134-R170 PolarHBondContact OE2-N 3.29Å; H168-R170 HydrophobicContact CB-CG 3.93Å; H168-R170 PolarHBondContact O-N 3.15Å
171L88.4Confident73.3Confident0 Ų097.4 Ų97.40%048%0.475CS..THydrogen-bonded Turntrans-113.10.4177.8-59.1-179000113.7M19 F87 L90 R91 Y95 A131 E134 L135 S169 R173M19-L171 HydrophobicContact CE-CB 4.2Å; M19-L171 HydrophobicContact CE-CD1 4.16Å; M19-L171 HydrophobicContact CE-CD2 4.15Å; M19-L171 HydrophobicContact CE-CG 4.4Å; M19-L171 HydrophobicContact SD-CD1 4.1Å; F87-L171 HydrophobicContact CB-CD2 4.09Å; F87-L171 HydrophobicContact CD1-CD1 3.93Å; F87-L171 HydrophobicContact CD1-CD2 3.93Å; F87-L171 HydrophobicContact CD1-CG 3.89Å; F87-L171 HydrophobicContact CE1-CD1 4.23Å; F87-L171 HydrophobicContact CE1-CG 4.44Å; F87-L171 HydrophobicContact CG-CD2 4.39Å; L90-L171 HydrophobicContact CB-CD2 3.95Å; L90-L171 HydrophobicContact CD1-CD1 3.59Å; L90-L171 HydrophobicContact CD1-CD2 4.29Å; R91-L171 HydrophobicContact CG-CD2 4.01Å; Y95-L171 WeakPolarHBondContact CE2-O 3.33Å; Y95-L171 PolarHBondContact OH-O 2.92Å; A131-L171 HydrophobicContact CB-CD1 4.09Å; E134-L171 HydrophobicContact CB-CB 4.06Å; E134-L171 HydrophobicContact CB-CD1 3.86Å; E134-L171 HydrophobicContact CB-CG 3.89Å; L135-L171 HydrophobicContact CD2-CB 3.99Å; L135-L171 HydrophobicContact CG-CB 4.31Å; L135-L171 HydrophobicContact CG-CD1 4.33Å; S169-L171 PolarHBondContact O-N 3.12Å; S169-L171 VanDerWaalsContact O-N 3.14Å; L171-R173 PolarHBondContact O-N 3.43Å
172R79.7Confident72.1Confident117 Ų117100 Ų10044%0.44249%0.489SS..  trans-76.3125.5179-66.4-169.1178.8-176.6-0.9109.9E134 S169 H174E134-R172 WeakPolarHBondContact O-CG 3.12Å; S169-R172 PolarHBondContact O-N 3Å; S169-R172 VanDerWaalsContact O-N 3.15Å; R172-H174 PolarHBondContact O-N 3.18Å; R172-H174 VanDerWaalsContact O-N 3.15Å
173R69.1Low70.8Confident127 Ų127105.3 Ų105.348%0.47952%0.515SS..  trans-65.5110.6167.9-87.2-176146.7170.9-1.4109.6Y95 L171Y95-R173 HydrophobicContact CD1-CG 4.17Å; Y95-R173 HydrophobicContact CE1-CG 3.8Å; Y95-R173 HydrophobicContact CE2-CG 4.19Å; L171-R173 PolarHBondContact O-N 3.43Å
174H54.5Low69.4Low125 Ų125107.7 Ų107.758%0.57952%0.523SS*.  trans-99.2120.5159.5-90.2-66.3000109R172 H176 R177R172-H174 PolarHBondContact O-N 3.18Å; R172-H174 VanDerWaalsContact O-N 3.15Å; H174-H176 PolarHBondContact O-N 2.74Å; H174-R177 CarbonylContact O-C 3.45Å; H174-R177 PolarHBondContact O-N 2.88Å
175N47.2Very low67.7Low157 Ų157108.9 Ų108.984%0.8453%0.526SS*.THydrogen-bonded Turntrans24.569.7170.5-73.1-6.6000115.7R177N175-R177 PolarHBondContact O-N 2.88Å
176H48.5Very low65.9Low175 Ų175114.2 Ų114.281%0.8155%0.553SS**THydrogen-bonded Turntrans55.413.5175.6-64.2-64.5000117.2H174H174-H176 PolarHBondContact O-N 2.74Å
177R42.6Very low64.1Low181 Ų181112.3 Ų112.368%0.68355%0.546SS*.  trans-134.7108.2173.4-70.4-175.2177179-1.2110H174 N175 F179H174-R177 CarbonylContact O-C 3.45Å; H174-R177 PolarHBondContact O-N 2.88Å; N175-R177 PolarHBondContact O-N 2.88Å; R177-F179 HydrophobicContact CB-CE2 4.12Å; R177-F179 HydrophobicContact CB-CZ 4.3Å; R177-F179 PolarHBondContact O-N 2.83Å
178C47.4Very low62Low57 Ų57117.2 Ų117.239%0.38556%0.56SS.*  trans-70.8114.6160.6-76.40000107.1Y95Y95-C178 WeakPolarHBondContact CD2-SG 3.39Å
179F42.4Very low59.9Low151 Ų151117.2 Ų117.266%0.66256%0.561SS**  trans-79132.6166.4-66.8-85000108.3R91 R177R91-F179 PolarHBondContact NH1-O 3.17Å; R177-F179 HydrophobicContact CB-CE2 4.12Å; R177-F179 HydrophobicContact CB-CZ 4.3Å; R177-F179 PolarHBondContact O-N 2.83Å
180I42.2Very low57.7Low138 Ų138123.2 Ų123.271%0.70858%0.581SS**  trans-76.1115.4158.7-59.9172.5000104.3
181V44.2Very low55.1Low192 Ų192129.1 Ų129.1100%1.16461%0.614SS**  trans-81.10165.7-171.70000107.7

Retrieved 181 of 181 residues in 39.5 ms (Link to these results)

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