A0A2K6DM13_MACNE Loading...

Glutathione S-transferase 3, mitochondrial

AlphaFold DB , UniProt , Accession A0A2K6DM13, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene n/a, Length 152 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
1M41.1Very low80.6Confident226 Ų22697 Ų97100%1.11354%0.536SS*.  0117.20-80.2-179.4-8900108.1V3M1-V3 HydrophobicContact CB-CG2 4.4Å; M1-V3 PolarHBondContact O-N 3.19Å
2A54.3Low81.9Confident112 Ų11298.2 Ų98.293%0.92654%0.54SS*.  trans-74.6102.4169.900000107.8
3V72.9Confident83.1Confident129 Ų12999.7 Ų99.778%0.78255%0.546SS*.PPolyproline II helixtrans-88.3122.3176.9-177.90000107.2M1M1-V3 HydrophobicContact CB-CG2 4.4Å; M1-V3 PolarHBondContact O-N 3.19Å
4L79.7Confident84.1Confident91 Ų9192.9 Ų92.948%0.47651%0.509SS..PPolyproline II helixtrans-59.2152.8173.9-73.3163.4000110.3Y8 V80L4-Y8 HydrophobicContact CB-CD1 4.44Å; L4-Y8 HydrophobicContact CB-CG 4.21Å; L4-Y8 HydrophobicContact CD1-CD1 3.63Å; L4-Y8 HydrophobicContact CD1-CE1 3.76Å; L4-Y8 HydrophobicContact CD1-CG 4.05Å; L4-Y8 HydrophobicContact CD2-CD2 4.36Å; L4-Y8 HydrophobicContact CD2-CG 4.45Å; L4-Y8 HydrophobicContact CG-CG 4.47Å; L4-V80 HydrophobicContact CD2-CG1 4.2Å
5S83.4Confident84.9Confident67 Ų6787.9 Ų87.947%0.46949%0.488SS..PPolyproline II helixtrans-52.3143.6174.4175.20000110.7E7 Y8S5-E7 PolarHBondContact O-N 2.95Å; S5-E7 PolarHBondContact OG-N 3.01Å; S5-Y8 WeakPolarHBondContact O-CB 3.18Å; S5-Y8 PolarHBondContact O-N 3.29Å
6K87.9Confident85.7Confident209 Ų20985.9 Ų85.991%0.90949%0.486SS*.THydrogen-bonded Turntrans-51.5-31.2175-68.3-177.2179.1-179.60112Y8 G9K6-Y8 VanDerWaalsContact C-N 3.25Å; K6-Y8 PolarHBondContact O-N 3.38Å; K6-G9 PolarHBondContact O-N 3.33Å
7E90.7Very high86.4Confident54 Ų5483 Ų8325%0.25248%0.475SS..THydrogen-bonded Turntrans-70.8-19.8-179.5-53.5-172.6161.600113.6S5 G9 F10 P83 R84S5-E7 PolarHBondContact O-N 2.95Å; S5-E7 PolarHBondContact OG-N 3.01Å; E7-G9 PolarHBondContact O-N 2.86Å; E7-G9 VanDerWaalsContact O-N 3.16Å; E7-F10 HydrophobicContact CB-CD2 4.29Å; E7-F10 WeakPolarHBondContact O-CB 3.02Å; E7-F10 VanDerWaalsContact O-CD2 3.27Å; E7-F10 WeakPolarHBondContact O-CD2 3.27Å; E7-F10 PolarHBondContact O-N 3.46Å; E7-P83 HydrophobicContact CB-CB 3.98Å; E7-P83 HydrophobicContact CB-CG 3.75Å; E7-R84 IonicContact OE1-CZ 3.09Å; E7-R84 IonicContact OE1-NE 2.87Å; E7-R84 PolarHBondContact OE1-NE 3.23Å; E7-R84 IonicContact OE1-NH2 2.6Å; E7-R84 PolarHBondContact OE1-NH2 2.88Å; E7-R84 WeakPolarHBondContact OE2-CG 3.36Å; E7-R84 IonicContact OE2-CZ 3.87Å; E7-R84 IonicContact OE2-NE 2.98Å; E7-R84 PolarHBondContact OE2-NE 3.47Å
8Y92.6Very high87Confident29 Ų2978.4 Ų78.411%0.11445%0.449CS..Hα-helixtrans-62.2-20.3173.1-162-94000111.8L4 S5 K6 F10 V11 L12 A76 G79 V80L4-Y8 HydrophobicContact CB-CD1 4.44Å; L4-Y8 HydrophobicContact CB-CG 4.21Å; L4-Y8 HydrophobicContact CD1-CD1 3.63Å; L4-Y8 HydrophobicContact CD1-CE1 3.76Å; L4-Y8 HydrophobicContact CD1-CG 4.05Å; L4-Y8 HydrophobicContact CD2-CD2 4.36Å; L4-Y8 HydrophobicContact CD2-CG 4.45Å; L4-Y8 HydrophobicContact CG-CG 4.47Å; S5-Y8 WeakPolarHBondContact O-CB 3.18Å; S5-Y8 PolarHBondContact O-N 3.29Å; K6-Y8 VanDerWaalsContact C-N 3.25Å; K6-Y8 PolarHBondContact O-N 3.38Å; Y8-F10 PolarHBondContact O-N 3.39Å; Y8-V11 HydrophobicContact CD2-CB 4.28Å; Y8-V11 HydrophobicContact CD2-CG2 4.04Å; Y8-V11 HydrophobicContact CE2-CB 4.24Å; Y8-V11 HydrophobicContact CE2-CG1 4.17Å; Y8-V11 HydrophobicContact CE2-CG2 4.24Å; Y8-V11 HydrophobicContact CG-CB 4.42Å; Y8-V11 HydrophobicContact CG-CG2 4.46Å; Y8-V11 VanDerWaalsContact O-CB 3.3Å; Y8-V11 WeakPolarHBondContact O-CB 3.41Å; Y8-V11 PolarHBondContact O-N 2.77Å; Y8-L12 HydrophobicContact CD1-CD1 4.49Å; Y8-L12 HydrophobicContact CD1-CD2 4.33Å; Y8-L12 HydrophobicContact CD1-CG 4.1Å; Y8-L12 HydrophobicContact CE1-CD2 3.9Å; Y8-L12 HydrophobicContact CE1-CG 4.17Å; Y8-L12 PolarHBondContact O-N 3.48Å; Y8-A76 PolarHBondContact OH-O 3.35Å; Y8-G79 VanDerWaalsContact CD2-O 3.27Å; Y8-G79 WeakPolarHBondContact CD2-O 3.28Å; Y8-G79 VanDerWaalsContact CE2-C 3.43Å; Y8-V80 HydrophobicContact CE2-CB 4.49Å; Y8-V80 HydrophobicContact CE2-CG2 3.94Å
9G92.9Very high87.5Confident33 Ų3381.5 Ų81.534%0.3446%0.457SS..Hα-helixtrans-53.7-34168.800000113.2K6 E7 V11 L12 L13K6-G9 PolarHBondContact O-N 3.33Å; E7-G9 PolarHBondContact O-N 2.86Å; E7-G9 VanDerWaalsContact O-N 3.16Å; G9-V11 VanDerWaalsContact C-N 3.31Å; G9-V11 PolarHBondContact O-N 3.35Å; G9-L12 PolarHBondContact O-N 3.46Å; G9-L13 WeakPolarHBondContact O-CG 3.25Å; G9-L13 PolarHBondContact O-N 2.98Å
10F95.3Very high88Confident113 Ų11383.3 Ų83.350%0.49646%0.464SS..Hα-helixtrans-66.6-33.5175.2-63.2-58.5000112.7E7 Y8 L13 T14 S87E7-F10 HydrophobicContact CB-CD2 4.29Å; E7-F10 WeakPolarHBondContact O-CB 3.02Å; E7-F10 VanDerWaalsContact O-CD2 3.27Å; E7-F10 WeakPolarHBondContact O-CD2 3.27Å; E7-F10 PolarHBondContact O-N 3.46Å; Y8-F10 PolarHBondContact O-N 3.39Å; F10-L13 PolarHBondContact O-N 3.34Å; F10-T14 WeakPolarHBondContact O-CB 3.38Å; F10-T14 PolarHBondContact O-N 3.18Å; F10-T14 PolarHBondContact O-OG1 3.21Å; F10-S87 VanDerWaalsContact CB-OG 3.28Å; F10-S87 WeakPolarHBondContact CB-OG 3.36Å; F10-S87 PolarHBondContact O-OG 3.45Å
11V96.2Very high88.4Confident4 Ų479.8 Ų79.82%0.02444%0.444CS..Hα-helixtrans-67.1-43.4177.6-177.40000109.2Y8 G9 T14 G15 L75 P83 S87Y8-V11 HydrophobicContact CD2-CB 4.28Å; Y8-V11 HydrophobicContact CD2-CG2 4.04Å; Y8-V11 HydrophobicContact CE2-CB 4.24Å; Y8-V11 HydrophobicContact CE2-CG1 4.17Å; Y8-V11 HydrophobicContact CE2-CG2 4.24Å; Y8-V11 HydrophobicContact CG-CB 4.42Å; Y8-V11 HydrophobicContact CG-CG2 4.46Å; Y8-V11 VanDerWaalsContact O-CB 3.3Å; Y8-V11 WeakPolarHBondContact O-CB 3.41Å; Y8-V11 PolarHBondContact O-N 2.77Å; G9-V11 VanDerWaalsContact C-N 3.31Å; G9-V11 PolarHBondContact O-N 3.35Å; V11-T14 WeakPolarHBondContact O-CB 3.27Å; V11-T14 PolarHBondContact O-N 3.16Å; V11-G15 PolarHBondContact O-N 3.36Å; V11-L75 HydrophobicContact CG1-CD1 4.05Å; V11-L75 HydrophobicContact CG1-CG 3.85Å; V11-L75 WeakPolarHBondContact CG1-O 3.37Å; V11-P83 HydrophobicContact CG2-CB 3.94Å; V11-S87 WeakPolarHBondContact CA-OG 3.3Å; V11-S87 WeakPolarHBondContact CG2-OG 3.37Å; V11-S87 PolarHBondContact N-OG 3.1Å; V11-S87 VanDerWaalsContact N-OG 3.11Å
12L96Very high91.1Very high111 Ų11169.7 Ų69.758%0.58140%0.395SS*.Hα-helixtrans-63.3-45176-61.6-180000112.1Y8 G9 T14 G15 A16Y8-L12 HydrophobicContact CD1-CD1 4.49Å; Y8-L12 HydrophobicContact CD1-CD2 4.33Å; Y8-L12 HydrophobicContact CD1-CG 4.1Å; Y8-L12 HydrophobicContact CE1-CD2 3.9Å; Y8-L12 HydrophobicContact CE1-CG 4.17Å; Y8-L12 PolarHBondContact O-N 3.48Å; G9-L12 PolarHBondContact O-N 3.46Å; L12-T14 VanDerWaalsContact C-N 3.32Å; L12-T14 PolarHBondContact O-N 3.2Å; L12-G15 PolarHBondContact O-N 2.97Å; L12-A16 PolarHBondContact O-N 2.6Å
13L96.8Very high93.2Very high118 Ų11866 Ų6662%0.61837%0.365SS*.Hα-helixtrans-61.6-41.8175.6-71.7174.2000111.6G9 F10 G15 A16 A17G9-L13 WeakPolarHBondContact O-CG 3.25Å; G9-L13 PolarHBondContact O-N 2.98Å; F10-L13 PolarHBondContact O-N 3.34Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-G15 PolarHBondContact O-N 3.18Å; L13-A16 PolarHBondContact O-N 2.97Å; L13-A17 WeakPolarHBondContact O-CB 3.37Å; L13-A17 PolarHBondContact O-N 3.45Å
14T97.1Very high94.3Very high5 Ų563.1 Ų63.13%0.03134%0.343CS..Hα-helixtrans-62.1-42174.3-56.30000111.2F10 V11 L12 A17 S18 L75 L91 I94F10-T14 WeakPolarHBondContact O-CB 3.38Å; F10-T14 PolarHBondContact O-N 3.18Å; F10-T14 PolarHBondContact O-OG1 3.21Å; V11-T14 WeakPolarHBondContact O-CB 3.27Å; V11-T14 PolarHBondContact O-N 3.16Å; L12-T14 VanDerWaalsContact C-N 3.32Å; L12-T14 PolarHBondContact O-N 3.2Å; T14-A17 PolarHBondContact O-N 3.23Å; T14-S18 WeakPolarHBondContact O-CB 3.39Å; T14-S18 PolarHBondContact O-N 2.96Å; T14-L75 HydrophobicContact CG2-CD1 4.1Å; T14-L75 HydrophobicContact CG2-CD2 4.05Å; T14-L91 HydrophobicContact CG2-CD2 4.49Å; T14-L91 HydrophobicContact CG2-CG 4.37Å; T14-I94 HydrophobicContact CG2-CD1 4.11Å
15G96.8Very high95Very high18 Ų1858.8 Ų58.819%0.18632%0.32CS..Hα-helixtrans-58.6-49.3173.500000112.2V11 L12 L13 A17 S18 F19V11-G15 PolarHBondContact O-N 3.36Å; L12-G15 PolarHBondContact O-N 2.97Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-G15 PolarHBondContact O-N 3.18Å; G15-A17 PolarHBondContact O-N 3.14Å; G15-S18 WeakPolarHBondContact O-CB 3.39Å; G15-S18 PolarHBondContact O-N 2.99Å; G15-S18 PolarHBondContact O-OG 2.98Å; G15-F19 PolarHBondContact O-N 2.87Å
16A97.4Very high95.7Very high56 Ų5657.2 Ų57.246%0.46331%0.311SS..Hα-helixtrans-62.1-43.5176.600000112.3L12 L13 S18 F19 I20L12-A16 PolarHBondContact O-N 2.6Å; L13-A16 PolarHBondContact O-N 2.97Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.48Å; A16-F19 WeakPolarHBondContact O-CB 3.48Å; A16-F19 PolarHBondContact O-N 3.49Å; A16-F19 VanDerWaalsContact O-N 3.15Å; A16-I20 PolarHBondContact O-N 3.18Å; A16-I20 VanDerWaalsContact O-N 3.17Å
17A97.5Very high96.1Very high36 Ų3651.6 Ų51.630%0.29829%0.29SS..Hα-helixtrans-60.6-37.8175.400000112.2L13 T14 G15 F19 I20 M21 I94L13-A17 WeakPolarHBondContact O-CB 3.37Å; L13-A17 PolarHBondContact O-N 3.45Å; T14-A17 PolarHBondContact O-N 3.23Å; G15-A17 PolarHBondContact O-N 3.14Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 3.45Å; A17-I20 PolarHBondContact O-N 3.34Å; A17-M21 PolarHBondContact O-N 2.94Å; A17-I94 HydrophobicContact CB-CD1 4.01Å
18S96.9Very high96.3Very high0 Ų050.3 Ų50.30%029%0.285CS..Hα-helixtrans-64.4-35.9176.680.90000112.5T14 G15 A16 M21 V22 Y68T14-S18 WeakPolarHBondContact O-CB 3.39Å; T14-S18 PolarHBondContact O-N 2.96Å; G15-S18 WeakPolarHBondContact O-CB 3.39Å; G15-S18 PolarHBondContact O-N 2.99Å; G15-S18 PolarHBondContact O-OG 2.98Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.48Å; S18-M21 WeakPolarHBondContact O-CB 3.36Å; S18-M21 PolarHBondContact O-N 3.49Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 3.3Å; S18-Y68 VanDerWaalsContact OG-CE2 3.29Å; S18-Y68 WeakPolarHBondContact OG-CE2 3.46Å; S18-Y68 PolarHBondContact OG-OH 3.22Å
19F96.9Very high96.5Very high137 Ų13749.7 Ų49.760%0.60128%0.284SS*.Hα-helixtrans-65.6-43.2175.3177.8-98.5000111.3G15 A16 A17 M21 V22 A23 Y68G15-F19 PolarHBondContact O-N 2.87Å; A16-F19 WeakPolarHBondContact O-CB 3.48Å; A16-F19 PolarHBondContact O-N 3.49Å; A16-F19 VanDerWaalsContact O-N 3.15Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 3.45Å; F19-M21 VanDerWaalsContact C-N 3.26Å; F19-M21 PolarHBondContact O-N 3.01Å; F19-V22 PolarHBondContact O-N 2.93Å; F19-A23 WeakPolarHBondContact O-CB 3.43Å; F19-A23 PolarHBondContact O-N 3.44Å; F19-Y68 WeakPolarHBondContact CA-OH 3.3Å; F19-Y68 PolarHBondContact N-OH 3Å
20I97.6Very high96.6Very high118 Ų11850.6 Ų50.661%0.60529%0.286SS*.Hα-helixtrans-58.3-41.1174.6-63.9170.2000110.6A16 A17 A23 H24A16-I20 PolarHBondContact O-N 3.18Å; A16-I20 VanDerWaalsContact O-N 3.17Å; A17-I20 PolarHBondContact O-N 3.34Å; I20-A23 PolarHBondContact O-N 3.29Å; I20-H24 WeakPolarHBondContact O-CB 3.33Å; I20-H24 PolarHBondContact O-N 3.15Å
21M96.9Very high96.6Very high9 Ų951.6 Ų51.64%0.04429%0.29CS..Hα-helixtrans-62.1-47.2175.4177.3-80.1-63.800112A17 S18 F19 A23 H24 L25 T64 W93 I94 R97 V98A17-M21 PolarHBondContact O-N 2.94Å; S18-M21 WeakPolarHBondContact O-CB 3.36Å; S18-M21 PolarHBondContact O-N 3.49Å; F19-M21 VanDerWaalsContact C-N 3.26Å; F19-M21 PolarHBondContact O-N 3.01Å; M21-A23 VanDerWaalsContact C-N 3.32Å; M21-A23 PolarHBondContact O-N 3Å; M21-H24 WeakPolarHBondContact O-CB 3.48Å; M21-H24 PolarHBondContact O-N 2.98Å; M21-L25 HydrophobicContact CG-CD1 4.35Å; M21-L25 VanDerWaalsContact O-CD1 3.32Å; M21-L25 WeakPolarHBondContact O-CD1 3.34Å; M21-L25 PolarHBondContact O-N 3.32Å; M21-L25 VanDerWaalsContact O-N 3.08Å; M21-L25 HydrophobicContact SD-CD1 3.94Å; M21-L25 HydrophobicContact SD-CD2 4.15Å; M21-T64 HydrophobicContact CE-CG2 3.88Å; M21-T64 HydrophobicContact SD-CG2 4.05Å; M21-W93 HydrophobicContact CE-CE3 4.31Å; M21-W93 HydrophobicContact CE-CH2 3.89Å; M21-W93 HydrophobicContact CE-CZ3 3.44Å; M21-W93 VanDerWaalsContact CE-CZ3 3.44Å; M21-I94 HydrophobicContact CB-CG2 3.99Å; M21-I94 HydrophobicContact CG-CG2 4.11Å; M21-R97 HydrophobicContact CE-CB 3.96Å; M21-R97 HydrophobicContact CE-CG 4.26Å; M21-R97 HydrophobicContact SD-CB 4Å; M21-V98 HydrophobicContact CG-CG2 3.76Å
22V97.3Very high96.5Very high14 Ų1451.7 Ų51.79%0.08529%0.291CS..Hα-helixtrans-61.5-41.9177.6174.70000111.1S18 F19 H24 L25 A26 T64 L65 Y68S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 3.3Å; F19-V22 PolarHBondContact O-N 2.93Å; V22-H24 PolarHBondContact O-N 3.3Å; V22-L25 PolarHBondContact O-N 3.49Å; V22-A26 PolarHBondContact O-N 3.49Å; V22-T64 HydrophobicContact CG2-CG2 4.28Å; V22-L65 HydrophobicContact CG1-CD2 3.65Å; V22-Y68 HydrophobicContact CG2-CD1 4.15Å; V22-Y68 HydrophobicContact CG2-CD2 3.97Å; V22-Y68 HydrophobicContact CG2-CE1 4.09Å; V22-Y68 HydrophobicContact CG2-CE2 3.92Å; V22-Y68 HydrophobicContact CG2-CG 4.09Å
23A97.4Very high96.4Very high36 Ų3647.5 Ų47.530%0.29827%0.267SS..Hα-helixtrans-62-41.2175.700000112.1F19 I20 M21 L25 A26 I27F19-A23 WeakPolarHBondContact O-CB 3.43Å; F19-A23 PolarHBondContact O-N 3.44Å; I20-A23 PolarHBondContact O-N 3.29Å; M21-A23 VanDerWaalsContact C-N 3.32Å; M21-A23 PolarHBondContact O-N 3Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 2.93Å; A23-A26 PolarHBondContact O-N 2.92Å; A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.38Å; A23-I27 PolarHBondContact O-N 2.94Å
24H96.8Very high96.2Very high67 Ų6750.3 Ų50.331%0.3127%0.274SS..Hα-helixtrans-58.9-43.7173.9175.567000112.1I20 M21 V22 I27 N28 Y102I20-H24 WeakPolarHBondContact O-CB 3.33Å; I20-H24 PolarHBondContact O-N 3.15Å; M21-H24 WeakPolarHBondContact O-CB 3.48Å; M21-H24 PolarHBondContact O-N 2.98Å; V22-H24 PolarHBondContact O-N 3.3Å; H24-I27 PolarHBondContact O-N 2.99Å; H24-N28 PolarHBondContact CE1-ND2 3.15Å; H24-N28 VanDerWaalsContact CE1-ND2 3.32Å; H24-N28 PolarHBondContact NE2-ND2 3.37Å; H24-N28 PolarHBondContact O-N 2.86Å; H24-N28 PolarHBondContact O-ND2 3.45Å; H24-Y102 PolarHBondContact NE2-OH 3.01Å
25L95.7Very high96Very high1 Ų157.4 Ų57.41%0.00531%0.305CS..Hα-helixtrans-63.9-42.1175.9-87.560.5000111.3M21 V22 A23 I27 N28 V29 H61 T64 A101M21-L25 HydrophobicContact CG-CD1 4.35Å; M21-L25 VanDerWaalsContact O-CD1 3.32Å; M21-L25 WeakPolarHBondContact O-CD1 3.34Å; M21-L25 PolarHBondContact O-N 3.32Å; M21-L25 VanDerWaalsContact O-N 3.08Å; M21-L25 HydrophobicContact SD-CD1 3.94Å; M21-L25 HydrophobicContact SD-CD2 4.15Å; V22-L25 PolarHBondContact O-N 3.49Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 2.93Å; L25-I27 PolarHBondContact O-N 2.84Å; L25-N28 PolarHBondContact O-N 3.38Å; L25-N28 VanDerWaalsContact O-N 3.17Å; L25-V29 WeakPolarHBondContact O-CG2 3.38Å; L25-V29 PolarHBondContact O-N 3.17Å; L25-H61 HydrophobicContact CB-CB 4.21Å; L25-H61 WeakPolarHBondContact CB-ND1 3.49Å; L25-T64 HydrophobicContact CD2-CG2 4.21Å; L25-A101 HydrophobicContact CD1-CB 4.24Å; L25-A101 HydrophobicContact CD2-CB 4.06Å; L25-A101 HydrophobicContact CG-CB 4.11Å
26A96.3Very high95.8Very high34 Ų3458.1 Ų58.128%0.28130%0.302SS..Hα-helixtrans-61.9-40176.400000112.8V22 A23 N28 V29 S30V22-A26 PolarHBondContact O-N 3.49Å; A23-A26 PolarHBondContact O-N 2.92Å; A26-N28 VanDerWaalsContact C-N 3.33Å; A26-N28 PolarHBondContact O-N 2.96Å; A26-V29 PolarHBondContact O-N 3.31Å; A26-S30 PolarHBondContact O-N 2.98Å; A26-S30 PolarHBondContact O-OG 3.21Å
27I96.9Very high95.5Very high90 Ų9064.2 Ų64.246%0.46232%0.318SS..Hα-helixtrans-63.3-41.1174.9-69.5164.7000110.5A23 H24 L25 S30 K31A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.38Å; A23-I27 PolarHBondContact O-N 2.94Å; H24-I27 PolarHBondContact O-N 2.99Å; L25-I27 PolarHBondContact O-N 2.84Å; I27-S30 WeakPolarHBondContact O-CB 3.37Å; I27-S30 PolarHBondContact O-N 3.19Å; I27-K31 HydrophobicContact CG2-CD 4.18Å; I27-K31 HydrophobicContact CG2-CG 4.47Å; I27-K31 WeakPolarHBondContact O-CG 3.24Å; I27-K31 PolarHBondContact O-N 3.49Å
28N95.3Very high95.3Very high28 Ų2863 Ų6315%0.1531%0.307CS..Hα-helixtrans-65.7-40.2177.3-72.5-49.6000112.4H24 L25 A26 S30 K31 A32 Y105H24-N28 PolarHBondContact CE1-ND2 3.15Å; H24-N28 VanDerWaalsContact CE1-ND2 3.32Å; H24-N28 PolarHBondContact NE2-ND2 3.37Å; H24-N28 PolarHBondContact O-N 2.86Å; H24-N28 PolarHBondContact O-ND2 3.45Å; L25-N28 PolarHBondContact O-N 3.38Å; L25-N28 VanDerWaalsContact O-N 3.17Å; A26-N28 VanDerWaalsContact C-N 3.33Å; A26-N28 PolarHBondContact O-N 2.96Å; N28-S30 VanDerWaalsContact C-N 3.31Å; N28-S30 PolarHBondContact O-N 2.61Å; N28-K31 PolarHBondContact O-N 3.19Å; N28-A32 VanDerWaalsContact O-CB 3.31Å; N28-A32 WeakPolarHBondContact O-CB 3.32Å; N28-A32 PolarHBondContact O-N 3.5Å; N28-Y105 HydrophobicContact CB-CE2 4.13Å; N28-Y105 WeakPolarHBondContact CB-OH 3.49Å
29V95.8Very high95Very high15 Ų1570.3 Ų70.39%0.09134%0.341CS..Hα-helixtrans-58.4-45170.71700000110.7L25 A26 K31 A32 R33 I57 H61L25-V29 WeakPolarHBondContact O-CG2 3.38Å; L25-V29 PolarHBondContact O-N 3.17Å; A26-V29 PolarHBondContact O-N 3.31Å; V29-K31 PolarHBondContact O-N 3.33Å; V29-A32 PolarHBondContact O-N 2.88Å; V29-R33 VanDerWaalsContact O-CB 3.32Å; V29-R33 WeakPolarHBondContact O-CB 3.49Å; V29-R33 PolarHBondContact O-N 3.47Å; V29-I57 HydrophobicContact CG2-CG2 4.07Å; V29-H61 HydrophobicContact CG2-CB 3.62Å
30S95.3Very high94.6Very high53 Ų5372.2 Ų72.237%0.37135%0.346SS..Hα-helixtrans-64.4-39.1179.7-58.10000112.4A26 I27 N28 K34A26-S30 PolarHBondContact O-N 2.98Å; A26-S30 PolarHBondContact O-OG 3.21Å; I27-S30 WeakPolarHBondContact O-CB 3.37Å; I27-S30 PolarHBondContact O-N 3.19Å; N28-S30 VanDerWaalsContact C-N 3.31Å; N28-S30 PolarHBondContact O-N 2.61Å; S30-K34 PolarHBondContact O-N 3.4Å
31K95.3Very high94.4Very high134 Ų13472.6 Ų72.658%0.58336%0.356SS*.Hα-helixtrans-65.6-45.2172.9-72.5174.6-1801770111.4I27 N28 V29 R33 K34 K35I27-K31 HydrophobicContact CG2-CD 4.18Å; I27-K31 HydrophobicContact CG2-CG 4.47Å; I27-K31 WeakPolarHBondContact O-CG 3.24Å; I27-K31 PolarHBondContact O-N 3.49Å; N28-K31 PolarHBondContact O-N 3.19Å; V29-K31 PolarHBondContact O-N 3.33Å; K31-R33 VanDerWaalsContact C-N 3.33Å; K31-R33 PolarHBondContact O-N 3.32Å; K31-K34 PolarHBondContact O-N 3.46Å; K31-K35 WeakPolarHBondContact O-CB 3.43Å; K31-K35 PolarHBondContact O-N 2.85Å
32A93.7Very high94.2Very high5 Ų575.7 Ų75.74%0.04138%0.375CS..Hα-helixtrans-62.1-42178.300000111.3N28 V29 K34 K35 Y36 F54 I57N28-A32 VanDerWaalsContact O-CB 3.31Å; N28-A32 WeakPolarHBondContact O-CB 3.32Å; N28-A32 PolarHBondContact O-N 3.5Å; V29-A32 PolarHBondContact O-N 2.88Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3Å; A32-K35 WeakPolarHBondContact O-CB 3.47Å; A32-K35 PolarHBondContact O-N 2.92Å; A32-K35 VanDerWaalsContact O-N 3.1Å; A32-Y36 HydrophobicContact CB-CD2 4.1Å; A32-Y36 HydrophobicContact CB-CE2 4.18Å; A32-Y36 WeakPolarHBondContact O-CD2 3.47Å; A32-Y36 PolarHBondContact O-N 3.11Å; A32-F54 HydrophobicContact CB-CD2 3.96Å; A32-F54 HydrophobicContact CB-CE2 4.46Å; A32-I57 HydrophobicContact CB-CB 4.39Å; A32-I57 HydrophobicContact CB-CD1 3.66Å; A32-I57 HydrophobicContact CB-CG2 3.98Å
33R94.4Very high93.9Very high24 Ų2479.8 Ų79.89%0.09140%0.395CS..Hα-helixtrans-54.3-47.3175.1-179.9173.7-121.2-81.1-9.4112.6V29 K31 K37 V38 E39 Y40 T42 F54V29-R33 VanDerWaalsContact O-CB 3.32Å; V29-R33 WeakPolarHBondContact O-CB 3.49Å; V29-R33 PolarHBondContact O-N 3.47Å; K31-R33 VanDerWaalsContact C-N 3.33Å; K31-R33 PolarHBondContact O-N 3.32Å; R33-K37 PolarHBondContact O-N 3.45Å; R33-V38 HydrophobicContact CG-CB 4.35Å; R33-V38 WeakPolarHBondContact CG-O 3.35Å; R33-V38 PolarHBondContact NH1-O 2.73Å; R33-V38 PolarHBondContact O-N 3.31Å; R33-V38 VanDerWaalsContact O-N 3.09Å; R33-E39 VanDerWaalsContact CZ-C 3.43Å; R33-E39 VanDerWaalsContact NH1-CA 3.35Å; R33-E39 PolarHBondContact NH2-O 3.39Å; R33-Y40 WeakPolarHBondContact CD-OH 3.44Å; R33-Y40 VanDerWaalsContact NH1-CE2 3.27Å; R33-Y40 VanDerWaalsContact NH2-CD1 3.27Å; R33-Y40 VanDerWaalsContact NH2-N 3.16Å; R33-T42 PolarHBondContact NH2-O 2.89Å; R33-T42 VanDerWaalsContact NH2-O 3.12Å; R33-F54 HydrophobicContact CB-CE2 3.99Å
34K93.3Very high93.6Very high177 Ų17782.2 Ų82.277%0.7740%0.397SS*.Hα-helixtrans-64.6-43.1175.4-67.6-179-178.3-173.70111.6S30 K31 A32 K37S30-K34 PolarHBondContact O-N 3.4Å; K31-K34 PolarHBondContact O-N 3.46Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3Å; K34-K37 PolarHBondContact O-N 2.69Å
35K92.9Very high93.4Very high154 Ų15480 Ų8067%0.6739%0.389SS*.Hα-helixtrans-62.6-43.3-179.4-175.1-179.2178-1720112.7K31 A32K31-K35 WeakPolarHBondContact O-CB 3.43Å; K31-K35 PolarHBondContact O-N 2.85Å; A32-K35 WeakPolarHBondContact O-CB 3.47Å; A32-K35 PolarHBondContact O-N 2.92Å; A32-K35 VanDerWaalsContact O-N 3.1Å
36Y91.8Very high93.1Very high33 Ų3386.8 Ų86.813%0.12943%0.43CS..THydrogen-bonded Turntrans-97.710.8-176.5-59.6-67.1000113.2A32 V38 N50 L53 F54 I57A32-Y36 HydrophobicContact CB-CD2 4.1Å; A32-Y36 HydrophobicContact CB-CE2 4.18Å; A32-Y36 WeakPolarHBondContact O-CD2 3.47Å; A32-Y36 PolarHBondContact O-N 3.11Å; Y36-V38 PolarHBondContact O-N 3.32Å; Y36-V38 VanDerWaalsContact O-N 3.1Å; Y36-N50 HydrophobicContact CD1-CB 3.7Å; Y36-N50 HydrophobicContact CE1-CB 3.82Å; Y36-L53 HydrophobicContact CE1-CB 4.19Å; Y36-L53 HydrophobicContact CE1-CD1 4.15Å; Y36-L53 HydrophobicContact CE2-CB 4.23Å; Y36-L53 WeakPolarHBondContact OH-CB 2.99Å; Y36-L53 WeakPolarHBondContact OH-CD1 3.5Å; Y36-F54 HydrophobicContact CD2-CB 3.67Å; Y36-F54 HydrophobicContact CD2-CD2 4.24Å; Y36-F54 HydrophobicContact CD2-CG 4.41Å; Y36-F54 HydrophobicContact CE2-CB 4.34Å; Y36-F54 HydrophobicContact CG-CB 4.05Å; Y36-I57 HydrophobicContact CE2-CD1 4.24Å
37K91.9Very high92.8Very high183 Ų18388.1 Ų88.180%0.79643%0.433SS*.THydrogen-bonded Turntrans49.238.3177.1-57-179-177.7178.10114R33 K34 E39R33-K37 PolarHBondContact O-N 3.45Å; K34-K37 PolarHBondContact O-N 2.69Å; K37-E39 PolarHBondContact O-N 2.89Å
38V92.2Very high92.1Very high12 Ų1289.9 Ų89.97%0.07345%0.45CS..PPolyproline II helixtrans-82117.6175.9-177.30000107.5R33 Y36 T42 F54R33-V38 HydrophobicContact CG-CB 4.35Å; R33-V38 WeakPolarHBondContact CG-O 3.35Å; R33-V38 PolarHBondContact NH1-O 2.73Å; R33-V38 PolarHBondContact O-N 3.31Å; R33-V38 VanDerWaalsContact O-N 3.09Å; Y36-V38 PolarHBondContact O-N 3.32Å; Y36-V38 VanDerWaalsContact O-N 3.1Å; V38-T42 HydrophobicContact CG1-CG2 4.05Å; V38-F54 HydrophobicContact CB-CE1 4.19Å; V38-F54 HydrophobicContact CB-CE2 4.46Å; V38-F54 HydrophobicContact CB-CZ 4.15Å; V38-F54 HydrophobicContact CG1-CD1 4.5Å; V38-F54 HydrophobicContact CG1-CE1 3.85Å; V38-F54 HydrophobicContact CG1-CZ 4.03Å; V38-F54 HydrophobicContact CG2-CD1 3.78Å; V38-F54 HydrophobicContact CG2-CD2 4.2Å; V38-F54 HydrophobicContact CG2-CE1 3.91Å; V38-F54 HydrophobicContact CG2-CE2 4.35Å; V38-F54 HydrophobicContact CG2-CG 3.92Å; V38-F54 HydrophobicContact CG2-CZ 4.21Å
39E90.9Very high91.5Very high153 Ų15395.4 Ų95.472%0.71548%0.475SS*.PPolyproline II helixtrans-89.3153.4-179.1-67-164.2167.100113.2R33 K37 T42R33-E39 VanDerWaalsContact CZ-C 3.43Å; R33-E39 VanDerWaalsContact NH1-CA 3.35Å; R33-E39 PolarHBondContact NH2-O 3.39Å; K37-E39 PolarHBondContact O-N 2.89Å; E39-T42 VanDerWaalsContact O-CB 3.23Å; E39-T42 WeakPolarHBondContact O-CB 3.43Å; E39-T42 PolarHBondContact O-N 3.01Å; E39-T42 PolarHBondContact O-OG1 3.42Å
40Y89.2Confident91Very high176 Ų17697.8 Ų97.869%0.6949%0.487SS*.THydrogen-bonded Turntrans-77.4140.6-178.4-70.3-73.9000107R33R33-Y40 WeakPolarHBondContact CD-OH 3.44Å; R33-Y40 VanDerWaalsContact NH1-CE2 3.27Å; R33-Y40 VanDerWaalsContact NH2-CD1 3.27Å; R33-Y40 VanDerWaalsContact NH2-N 3.16Å
41P93.4Very high90.5Very high127 Ų12795.3 Ų95.383%0.82547%0.47SS*.THydrogen-bonded Turncis-95.913.211.437.7-36.3000115.1M43P41-M43 PolarHBondContact O-N 2.99Å
42T92.7Very high90.2Very high73 Ų7393.2 Ų93.245%0.44846%0.462SS..  trans-58.6123.3-174.1-54.70000111.9R33 V38 E39 Y44R33-T42 PolarHBondContact NH2-O 2.89Å; R33-T42 VanDerWaalsContact NH2-O 3.12Å; V38-T42 HydrophobicContact CG1-CG2 4.05Å; E39-T42 VanDerWaalsContact O-CB 3.23Å; E39-T42 WeakPolarHBondContact O-CB 3.43Å; E39-T42 PolarHBondContact O-N 3.01Å; E39-T42 PolarHBondContact O-OG1 3.42Å; T42-Y44 WeakPolarHBondContact CG2-O 3.26Å
43M90.7Very high90.1Very high100 Ų10094.6 Ų94.649%0.49347%0.469SS..  trans-88.1-40.8-175.7-174.1-177-66.800112.8P41 F54 Q58 Q62P41-M43 PolarHBondContact O-N 2.99Å; M43-F54 VanDerWaalsContact O-CE1 3.3Å; M43-F54 WeakPolarHBondContact O-CE1 3.4Å; M43-Q58 PolarHBondContact O-NE2 3.41Å; M43-Q62 PolarHBondContact SD-NE2 2.82Å
44Y92.4Very high90.1Very high88 Ų8893.5 Ų93.535%0.34546%0.464SS..SBendtrans-125.5138.2179.2-69.8-70.5000109.3T42 N55 Q58 Q62T42-Y44 WeakPolarHBondContact CG2-O 3.26Å; Y44-N55 VanDerWaalsContact CA-OD1 3.32Å; Y44-N55 WeakPolarHBondContact CA-OD1 3.27Å; Y44-N55 HydrophobicContact CD1-CB 3.81Å; Y44-N55 WeakPolarHBondContact CD1-OD1 3.37Å; Y44-N55 HydrophobicContact CE1-CB 4.36Å; Y44-Q58 HydrophobicContact CE1-CB 4.45Å; Y44-Q58 HydrophobicContact CE1-CG 4.16Å; Y44-Q62 PolarHBondContact OH-OE1 3.21Å
45S91Very high90.1Very high20 Ų2087 Ų8714%0.1444%0.438CS..  trans-79.6137.1175.1-178.20000110.2D47 G51 N55S45-D47 WeakPolarHBondContact OG-CB 3.28Å; S45-D47 PolarHBondContact OG-N 3.38Å; S45-G51 WeakPolarHBondContact OG-CA 3.09Å; S45-N55 PolarHBondContact N-OD1 3.27Å; S45-N55 PolarHBondContact O-ND2 3.3Å
46T90.6Very high90.1Very high143 Ų14380.2 Ų80.288%0.87741%0.41SS*.  trans-96.64.7172.354.40000112.5P48T46-P48 WeakPolarHBondContact O-CD 3.41Å
47D89.2Confident90.2Very high63 Ų6379.5 Ų79.534%0.33741%0.408SS..  trans-62.5121.1177.7178.4-4.5000110.4S45 E49 G51S45-D47 WeakPolarHBondContact OG-CB 3.28Å; S45-D47 PolarHBondContact OG-N 3.38Å; D47-E49 VanDerWaalsContact C-N 3.32Å; D47-E49 PolarHBondContact O-N 3.26Å; D47-E49 PolarHBondContact OD1-N 3.28Å; D47-G51 WeakPolarHBondContact O-CA 3.47Å; D47-G51 PolarHBondContact O-N 3.03Å
48P81.9Confident90.4Very high126 Ų12672 Ų7282%0.81838%0.376SS*.THydrogen-bonded Turntrans-67.3-27.1-177.625.4-33000113.9T46T46-P48 WeakPolarHBondContact O-CD 3.41Å
49E82.9Confident90.5Very high145 Ų14574.9 Ų74.968%0.67839%0.385SS*.THydrogen-bonded Turntrans-84.2-53.6-177.5-67.5-167.8161.800111.5D47 H52D47-E49 VanDerWaalsContact C-N 3.32Å; D47-E49 PolarHBondContact O-N 3.26Å; D47-E49 PolarHBondContact OD1-N 3.28Å; E49-H52 PolarHBondContact O-CE1 3.13Å; E49-H52 VanDerWaalsContact O-CE1 3.29Å; E49-H52 PolarHBondContact O-ND1 3.44Å
50N84.4Confident90.6Very high65 Ų6567.6 Ų67.635%0.34835%0.351SS..THydrogen-bonded Turntrans-119.6-5.5-168.7-68.9-65.9000114.3Y36 H52 L53Y36-N50 HydrophobicContact CD1-CB 3.7Å; Y36-N50 HydrophobicContact CE1-CB 3.82Å; N50-H52 VanDerWaalsContact C-N 3.27Å; N50-H52 PolarHBondContact O-N 3.49Å; N50-L53 PolarHBondContact O-N 2.93Å
51G86.3Confident91Very high0 Ų060.3 Ų60.30%032%0.324CS..Hα-helixtrans-62.9-34.3-176.900000112.9S45 D47 L53 F54 N55S45-G51 WeakPolarHBondContact OG-CA 3.09Å; D47-G51 WeakPolarHBondContact O-CA 3.47Å; D47-G51 PolarHBondContact O-N 3.03Å; G51-L53 VanDerWaalsContact C-N 3.31Å; G51-L53 PolarHBondContact O-N 3Å; G51-F54 PolarHBondContact O-N 3.42Å; G51-N55 WeakPolarHBondContact O-CB 3.44Å; G51-N55 PolarHBondContact O-N 3.37Å; G51-N55 PolarHBondContact O-ND2 3.32Å; G51-N55 PolarHBondContact O-OD1 2.88Å
52H89.4Confident91.1Very high90 Ų9056.1 Ų56.142%0.41729%0.293SS..Hα-helixtrans-61.1-35.9178.774.9-83.4000113.1E49 N50 N55 C56E49-H52 PolarHBondContact O-CE1 3.13Å; E49-H52 VanDerWaalsContact O-CE1 3.29Å; E49-H52 PolarHBondContact O-ND1 3.44Å; N50-H52 VanDerWaalsContact C-N 3.27Å; N50-H52 PolarHBondContact O-N 3.49Å; H52-N55 PolarHBondContact O-N 3.43Å; H52-C56 WeakPolarHBondContact O-CB 3.41Å; H52-C56 PolarHBondContact O-N 2.88Å; H52-C56 PolarHBondContact O-SG 3.08Å
53L91.4Very high91.2Very high35 Ų3554.1 Ų54.118%0.18328%0.28CS..Hα-helixtrans-66.3-47.7177.7-69.5170.2000111.2Y36 N50 G51 N55 C56 I57Y36-L53 HydrophobicContact CE1-CB 4.19Å; Y36-L53 HydrophobicContact CE1-CD1 4.15Å; Y36-L53 HydrophobicContact CE2-CB 4.23Å; Y36-L53 WeakPolarHBondContact OH-CB 2.99Å; Y36-L53 WeakPolarHBondContact OH-CD1 3.5Å; N50-L53 PolarHBondContact O-N 2.93Å; G51-L53 VanDerWaalsContact C-N 3.31Å; G51-L53 PolarHBondContact O-N 3Å; L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.9Å; L53-C56 PolarHBondContact O-N 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.38Å; L53-I57 VanDerWaalsContact O-N 3.09Å
54F93.3Very high91.5Very high1 Ų149.3 Ų49.30%0.00426%0.256CS..Hα-helixtrans-59.5-46174.6174.6-102.6000111.2A32 R33 Y36 V38 M43 G51 C56 I57 Q58A32-F54 HydrophobicContact CB-CD2 3.96Å; A32-F54 HydrophobicContact CB-CE2 4.46Å; R33-F54 HydrophobicContact CB-CE2 3.99Å; Y36-F54 HydrophobicContact CD2-CB 3.67Å; Y36-F54 HydrophobicContact CD2-CD2 4.24Å; Y36-F54 HydrophobicContact CD2-CG 4.41Å; Y36-F54 HydrophobicContact CE2-CB 4.34Å; Y36-F54 HydrophobicContact CG-CB 4.05Å; V38-F54 HydrophobicContact CB-CE1 4.19Å; V38-F54 HydrophobicContact CB-CE2 4.46Å; V38-F54 HydrophobicContact CB-CZ 4.15Å; V38-F54 HydrophobicContact CG1-CD1 4.5Å; V38-F54 HydrophobicContact CG1-CE1 3.85Å; V38-F54 HydrophobicContact CG1-CZ 4.03Å; V38-F54 HydrophobicContact CG2-CD1 3.78Å; V38-F54 HydrophobicContact CG2-CD2 4.2Å; V38-F54 HydrophobicContact CG2-CE1 3.91Å; V38-F54 HydrophobicContact CG2-CE2 4.35Å; V38-F54 HydrophobicContact CG2-CG 3.92Å; V38-F54 HydrophobicContact CG2-CZ 4.21Å; M43-F54 VanDerWaalsContact O-CE1 3.3Å; M43-F54 WeakPolarHBondContact O-CE1 3.4Å; G51-F54 PolarHBondContact O-N 3.42Å; F54-C56 VanDerWaalsContact C-N 3.28Å; F54-C56 PolarHBondContact O-N 2.93Å; F54-I57 PolarHBondContact O-N 2.85Å; F54-I57 VanDerWaalsContact O-N 3.16Å; F54-Q58 HydrophobicContact CE1-CB 4.46Å; F54-Q58 HydrophobicContact CZ-CB 4.48Å; F54-Q58 WeakPolarHBondContact O-CB 3.24Å; F54-Q58 PolarHBondContact O-N 2.9Å
55N94.1Very high91.7Very high39 Ų3948.7 Ų48.721%0.20926%0.258CS..Hα-helixtrans-60.8-38.2-179.5-65.7-10000111.7Y44 S45 G51 H52 L53 R59Y44-N55 VanDerWaalsContact CA-OD1 3.32Å; Y44-N55 WeakPolarHBondContact CA-OD1 3.27Å; Y44-N55 HydrophobicContact CD1-CB 3.81Å; Y44-N55 WeakPolarHBondContact CD1-OD1 3.37Å; Y44-N55 HydrophobicContact CE1-CB 4.36Å; S45-N55 PolarHBondContact N-OD1 3.27Å; S45-N55 PolarHBondContact O-ND2 3.3Å; G51-N55 WeakPolarHBondContact O-CB 3.44Å; G51-N55 PolarHBondContact O-N 3.37Å; G51-N55 PolarHBondContact O-ND2 3.32Å; G51-N55 PolarHBondContact O-OD1 2.88Å; H52-N55 PolarHBondContact O-N 3.43Å; L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.9Å; N55-R59 VanDerWaalsContact O-CB 3.22Å; N55-R59 WeakPolarHBondContact O-CB 3.47Å; N55-R59 PolarHBondContact O-N 3.35Å
56C92.9Very high91.9Very high13 Ų1352.7 Ų52.79%0.08828%0.275CS..Hα-helixtrans-64.8-46.2174.4-73.30000112.5H52 L53 F54 R59 A60 Y104H52-C56 WeakPolarHBondContact O-CB 3.41Å; H52-C56 PolarHBondContact O-N 2.88Å; H52-C56 PolarHBondContact O-SG 3.08Å; L53-C56 PolarHBondContact O-N 3.26Å; F54-C56 VanDerWaalsContact C-N 3.28Å; F54-C56 PolarHBondContact O-N 2.93Å; C56-R59 PolarHBondContact O-N 3.29Å; C56-A60 WeakPolarHBondContact O-CB 3.4Å; C56-A60 PolarHBondContact O-N 2.91Å; C56-Y104 HydrophobicContact CB-CD1 3.9Å; C56-Y104 VanDerWaalsContact CB-O 3.29Å; C56-Y104 WeakPolarHBondContact CB-O 3.29Å
57I93.8Very high92.1Very high17 Ų1747.3 Ų47.39%0.08724%0.242CC..Hα-helixtrans-61.5-46.4177.5-64.9164.7000110.5V29 A32 Y36 L53 F54 A60 H61 Y105V29-I57 HydrophobicContact CG2-CG2 4.07Å; A32-I57 HydrophobicContact CB-CB 4.39Å; A32-I57 HydrophobicContact CB-CD1 3.66Å; A32-I57 HydrophobicContact CB-CG2 3.98Å; Y36-I57 HydrophobicContact CE2-CD1 4.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.38Å; L53-I57 VanDerWaalsContact O-N 3.09Å; F54-I57 PolarHBondContact O-N 2.85Å; F54-I57 VanDerWaalsContact O-N 3.16Å; I57-A60 PolarHBondContact O-N 3.49Å; I57-H61 PolarHBondContact O-N 3.44Å; I57-Y105 HydrophobicContact CB-CD1 4.01Å; I57-Y105 HydrophobicContact CB-CE1 3.98Å; I57-Y105 HydrophobicContact CG1-CD1 3.47Å; I57-Y105 VanDerWaalsContact CG1-CD1 3.47Å; I57-Y105 HydrophobicContact CG1-CE1 3.92Å; I57-Y105 HydrophobicContact CG1-CG 4.06Å; I57-Y105 HydrophobicContact CG2-CD1 4.17Å; I57-Y105 HydrophobicContact CG2-CE1 3.69Å
58Q94.9Very high92.5Very high27 Ų2745.7 Ų45.713%0.12623%0.231CC..Hα-helixtrans-61.3-47177.7-18071.9-47.800111.6M43 Y44 F54 A60 H61 Q62M43-Q58 PolarHBondContact O-NE2 3.41Å; Y44-Q58 HydrophobicContact CE1-CB 4.45Å; Y44-Q58 HydrophobicContact CE1-CG 4.16Å; F54-Q58 HydrophobicContact CE1-CB 4.46Å; F54-Q58 HydrophobicContact CZ-CB 4.48Å; F54-Q58 WeakPolarHBondContact O-CB 3.24Å; F54-Q58 PolarHBondContact O-N 2.9Å; Q58-A60 VanDerWaalsContact C-N 3.3Å; Q58-A60 PolarHBondContact O-N 3.28Å; Q58-H61 PolarHBondContact O-N 3.4Å; Q58-Q62 PolarHBondContact O-N 2.9Å
59R94.6Very high93.2Very high71 Ų7143.5 Ų43.527%0.26822%0.217SC..Hα-helixtrans-63.7-36.6-179.7-174.866.9-157.9136.23.7112.1N55 C56 H61 Q62 N63 E66N55-R59 VanDerWaalsContact O-CB 3.22Å; N55-R59 WeakPolarHBondContact O-CB 3.47Å; N55-R59 PolarHBondContact O-N 3.35Å; C56-R59 PolarHBondContact O-N 3.29Å; R59-H61 VanDerWaalsContact C-N 3.33Å; R59-H61 PolarHBondContact O-N 3.05Å; R59-Q62 PolarHBondContact O-N 2.98Å; R59-N63 WeakPolarHBondContact O-CB 3.46Å; R59-N63 PolarHBondContact O-N 2.93Å; R59-E66 IonicContact CZ-OE1 3.32Å; R59-E66 IonicContact CZ-OE2 3.75Å; R59-E66 IonicContact NH1-OE1 2.71Å; R59-E66 PolarHBondContact NH1-OE1 3.21Å; R59-E66 IonicContact NH1-OE2 3.82Å; R59-E66 VanDerWaalsContact NH2-CD 3.33Å; R59-E66 IonicContact NH2-OE1 3Å; R59-E66 PolarHBondContact NH2-OE1 3.4Å; R59-E66 IonicContact NH2-OE2 2.82Å; R59-E66 PolarHBondContact NH2-OE2 3.48Å
60A94.3Very high93.8Very high0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-61.2-42.3177.100000112.4C56 I57 Q58 T64 Y100 A101 Y104 Y105C56-A60 WeakPolarHBondContact O-CB 3.4Å; C56-A60 PolarHBondContact O-N 2.91Å; I57-A60 PolarHBondContact O-N 3.49Å; Q58-A60 VanDerWaalsContact C-N 3.3Å; Q58-A60 PolarHBondContact O-N 3.28Å; A60-T64 PolarHBondContact O-N 3.29Å; A60-T64 PolarHBondContact O-OG1 3.18Å; A60-Y100 HydrophobicContact CB-CE1 4.39Å; A60-A101 HydrophobicContact CB-CB 4.26Å; A60-Y104 HydrophobicContact CB-CD2 4.36Å; A60-Y104 HydrophobicContact CB-CG 4.06Å; A60-Y105 HydrophobicContact CB-CE1 4.2Å
61H96.1Very high94.4Very high23 Ų2336.2 Ų36.211%0.10619%0.185CC..Hα-helixtrans-67.6-48.7175.4-177.752.3000112L25 V29 I57 Q58 R59 N63 T64 L65L25-H61 HydrophobicContact CB-CB 4.21Å; L25-H61 WeakPolarHBondContact CB-ND1 3.49Å; V29-H61 HydrophobicContact CG2-CB 3.62Å; I57-H61 PolarHBondContact O-N 3.44Å; Q58-H61 PolarHBondContact O-N 3.4Å; R59-H61 VanDerWaalsContact C-N 3.33Å; R59-H61 PolarHBondContact O-N 3.05Å; H61-N63 PolarHBondContact O-N 3.26Å; H61-T64 WeakPolarHBondContact O-CA 3.44Å; H61-T64 WeakPolarHBondContact O-CB 3.47Å; H61-T64 PolarHBondContact O-N 3.03Å; H61-T64 VanDerWaalsContact O-N 3.08Å; H61-L65 PolarHBondContact O-N 2.89Å
62Q96.3Very high94.9Very high40 Ų4039.2 Ų39.219%0.18720%0.201CC..Hα-helixtrans-60.5-44.3179.4-73.3-174.7-26.300112.8M43 Y44 Q58 R59 T64 L65 E66M43-Q62 PolarHBondContact SD-NE2 2.82Å; Y44-Q62 PolarHBondContact OH-OE1 3.21Å; Q58-Q62 PolarHBondContact O-N 2.9Å; R59-Q62 PolarHBondContact O-N 2.98Å; Q62-T64 PolarHBondContact O-N 3.28Å; Q62-L65 WeakPolarHBondContact O-CB 3.41Å; Q62-L65 PolarHBondContact O-N 3.43Å; Q62-E66 WeakPolarHBondContact O-CG 3.44Å; Q62-E66 PolarHBondContact O-N 2.89Å
63N95.4Very high95.2Very high30 Ų3040.5 Ų40.516%0.1621%0.206CC..Hα-helixtrans-62.5-33.2176.3-177.8-103.6000112.3R59 H61 E66 V67 R97 Y100R59-N63 WeakPolarHBondContact O-CB 3.46Å; R59-N63 PolarHBondContact O-N 2.93Å; H61-N63 PolarHBondContact O-N 3.26Å; N63-E66 PolarHBondContact ND2-OE2 2.9Å; N63-V67 WeakPolarHBondContact O-CG2 3.32Å; N63-V67 PolarHBondContact O-N 3.06Å; N63-R97 PolarHBondContact OD1-NH1 2.82Å; N63-Y100 HydrophobicContact CB-CE1 4.43Å; N63-Y100 PolarHBondContact OD1-OH 3.42Å
64T95.6Very high95.5Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-65.9-43.7173.6-58.20000110.4M21 V22 L25 A60 H61 Q62 E66 V67 Y68 W93 R97M21-T64 HydrophobicContact CE-CG2 3.88Å; M21-T64 HydrophobicContact SD-CG2 4.05Å; V22-T64 HydrophobicContact CG2-CG2 4.28Å; L25-T64 HydrophobicContact CD2-CG2 4.21Å; A60-T64 PolarHBondContact O-N 3.29Å; A60-T64 PolarHBondContact O-OG1 3.18Å; H61-T64 WeakPolarHBondContact O-CA 3.44Å; H61-T64 WeakPolarHBondContact O-CB 3.47Å; H61-T64 PolarHBondContact O-N 3.03Å; H61-T64 VanDerWaalsContact O-N 3.08Å; Q62-T64 PolarHBondContact O-N 3.28Å; T64-E66 PolarHBondContact O-N 3.34Å; T64-V67 PolarHBondContact O-N 2.98Å; T64-Y68 VanDerWaalsContact O-CB 3.3Å; T64-Y68 WeakPolarHBondContact O-CB 3.49Å; T64-Y68 PolarHBondContact O-N 2.97Å; T64-W93 HydrophobicContact CG2-CH2 4.23Å; T64-R97 HydrophobicContact CG2-CG 4.46Å
65L96.9Very high95.6Very high75 Ų7541.2 Ų41.239%0.39321%0.208SC..Hα-helixtrans-63.9-35.9176.6-69.3177.2000113.5V22 H61 Q62 V67 Y68 P69V22-L65 HydrophobicContact CG1-CD2 3.65Å; H61-L65 PolarHBondContact O-N 2.89Å; Q62-L65 WeakPolarHBondContact O-CB 3.41Å; Q62-L65 PolarHBondContact O-N 3.43Å; L65-V67 PolarHBondContact O-N 2.91Å; L65-Y68 PolarHBondContact O-N 3.37Å; L65-P69 WeakPolarHBondContact O-CD 3.37Å
66E95.9Very high95.6Very high104 Ų10441.3 Ų41.349%0.48621%0.214SC..Hα-helixtrans-60.8-34.2174.9-72.4162.8-169.200112.1R59 Q62 N63 T64R59-E66 IonicContact CZ-OE1 3.32Å; R59-E66 IonicContact CZ-OE2 3.75Å; R59-E66 IonicContact NH1-OE1 2.71Å; R59-E66 PolarHBondContact NH1-OE1 3.21Å; R59-E66 IonicContact NH1-OE2 3.82Å; R59-E66 VanDerWaalsContact NH2-CD 3.33Å; R59-E66 IonicContact NH2-OE1 3Å; R59-E66 PolarHBondContact NH2-OE1 3.4Å; R59-E66 IonicContact NH2-OE2 2.82Å; R59-E66 PolarHBondContact NH2-OE2 3.48Å; Q62-E66 WeakPolarHBondContact O-CG 3.44Å; Q62-E66 PolarHBondContact O-N 2.89Å; N63-E66 PolarHBondContact ND2-OE2 2.9Å; T64-E66 PolarHBondContact O-N 3.34Å
67V95.4Very high95.7Very high30 Ų3043.2 Ų43.218%0.18223%0.225CC..Hα-helixtrans-99.8-10.7-175.7-176.70000112.5N63 T64 L65 P70 F71 W93 R97 L122N63-V67 WeakPolarHBondContact O-CG2 3.32Å; N63-V67 PolarHBondContact O-N 3.06Å; T64-V67 PolarHBondContact O-N 2.98Å; L65-V67 PolarHBondContact O-N 2.91Å; V67-P70 WeakPolarHBondContact O-CD 3.32Å; V67-F71 WeakPolarHBondContact O-CB 3.36Å; V67-F71 PolarHBondContact O-N 2.93Å; V67-W93 HydrophobicContact CG1-CZ2 4.26Å; V67-R97 VanDerWaalsContact CB-NH2 3.25Å; V67-R97 VanDerWaalsContact CG1-NH2 3.3Å; V67-L122 HydrophobicContact CG1-CD2 3.39Å
68Y96.6Very high95.5Very high29 Ų2942.4 Ų42.411%0.11422%0.221CC..Hα-helixtrans-66.5-44-175.9-170-127.8000113.9S18 F19 V22 T64 L65 F71 L72 W93S18-Y68 VanDerWaalsContact OG-CE2 3.29Å; S18-Y68 WeakPolarHBondContact OG-CE2 3.46Å; S18-Y68 PolarHBondContact OG-OH 3.22Å; F19-Y68 WeakPolarHBondContact CA-OH 3.3Å; F19-Y68 PolarHBondContact N-OH 3Å; V22-Y68 HydrophobicContact CG2-CD1 4.15Å; V22-Y68 HydrophobicContact CG2-CD2 3.97Å; V22-Y68 HydrophobicContact CG2-CE1 4.09Å; V22-Y68 HydrophobicContact CG2-CE2 3.92Å; V22-Y68 HydrophobicContact CG2-CG 4.09Å; T64-Y68 VanDerWaalsContact O-CB 3.3Å; T64-Y68 WeakPolarHBondContact O-CB 3.49Å; T64-Y68 PolarHBondContact O-N 2.97Å; L65-Y68 PolarHBondContact O-N 3.37Å; Y68-F71 AromaticContact CD2-CD1 3.9Å; Y68-F71 HydrophobicContact CD2-CD1 3.9Å; Y68-F71 AromaticContact CE2-CD1 3.96Å; Y68-F71 HydrophobicContact CE2-CD1 3.96Å; Y68-F71 HydrophobicContact CE2-CE1 4.23Å; Y68-F71 WeakPolarHBondContact O-CB 3.44Å; Y68-F71 PolarHBondContact O-N 3.08Å; Y68-L72 HydrophobicContact CD1-CD1 4.06Å; Y68-L72 HydrophobicContact CD2-CG 4.3Å; Y68-L72 HydrophobicContact CE1-CD1 3.65Å; Y68-L72 HydrophobicContact CE1-CG 4.28Å; Y68-L72 HydrophobicContact CE2-CD1 4.25Å; Y68-L72 HydrophobicContact CE2-CD2 3.98Å; Y68-L72 HydrophobicContact CE2-CG 3.96Å; Y68-L72 WeakPolarHBondContact O-CG 3.35Å; Y68-L72 PolarHBondContact O-N 3.5Å; Y68-W93 AromaticContact CD2-CH2 3.87Å; Y68-W93 HydrophobicContact CD2-CH2 3.87Å; Y68-W93 HydrophobicContact CD2-CZ3 4.17Å
69P96.9Very high95.4Very high80 Ų8041.1 Ų41.152%0.51922%0.215SC..Hα-helixtrans-62.9-47176.6-16.526.7000113.4L65 F71 L72 F73L65-P69 WeakPolarHBondContact O-CD 3.37Å; P69-F71 VanDerWaalsContact C-N 3.3Å; P69-F71 PolarHBondContact O-N 3.38Å; P69-L72 PolarHBondContact O-N 3.24Å; P69-F73 PolarHBondContact O-N 3.43Å
70P95.5Very high95.2Very high56 Ų5640.7 Ų40.736%0.36422%0.22SC..Hα-helixtrans-57-42.9172.1-25.833.9000112.7V67 L72 F73 F74V67-P70 WeakPolarHBondContact O-CD 3.32Å; P70-L72 PolarHBondContact O-N 3.49Å; P70-F73 PolarHBondContact O-N 3.14Å; P70-F74 HydrophobicContact CB-CD2 4.44Å; P70-F74 HydrophobicContact CB-CE2 4.18Å; P70-F74 WeakPolarHBondContact O-CD2 3.31Å; P70-F74 PolarHBondContact O-N 3.28Å
71F96.8Very high94.9Very high0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-57.4-49.8176.5164.1-96.1000112.2V67 Y68 P69 F73 F74 L75 W93 L122 L125V67-F71 WeakPolarHBondContact O-CB 3.36Å; V67-F71 PolarHBondContact O-N 2.93Å; Y68-F71 AromaticContact CD2-CD1 3.9Å; Y68-F71 HydrophobicContact CD2-CD1 3.9Å; Y68-F71 AromaticContact CE2-CD1 3.96Å; Y68-F71 HydrophobicContact CE2-CD1 3.96Å; Y68-F71 HydrophobicContact CE2-CE1 4.23Å; Y68-F71 WeakPolarHBondContact O-CB 3.44Å; Y68-F71 PolarHBondContact O-N 3.08Å; P69-F71 VanDerWaalsContact C-N 3.3Å; P69-F71 PolarHBondContact O-N 3.38Å; F71-F73 VanDerWaalsContact C-N 3.31Å; F71-F73 PolarHBondContact O-N 2.9Å; F71-F74 PolarHBondContact O-N 2.88Å; F71-L75 HydrophobicContact CE1-CD2 3.94Å; F71-L75 HydrophobicContact CZ-CD2 3.84Å; F71-L75 VanDerWaalsContact O-CB 3.24Å; F71-L75 WeakPolarHBondContact O-CB 3.4Å; F71-L75 PolarHBondContact O-N 3.34Å; F71-W93 HydrophobicContact CB-CH2 4.19Å; F71-W93 HydrophobicContact CB-CZ2 3.98Å; F71-W93 AromaticContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CH2 4.06Å; F71-W93 AromaticContact CD1-CZ3 3.71Å; F71-W93 HydrophobicContact CD1-CZ3 3.71Å; F71-W93 HydrophobicContact CD2-CB 4.25Å; F71-W93 AromaticContact CD2-CD2 3.4Å; F71-W93 HydrophobicContact CD2-CD2 3.4Å; F71-W93 VanDerWaalsContact CD2-CD2 3.4Å; F71-W93 AromaticContact CD2-CE2 3.8Å; F71-W93 AromaticContact CD2-CE3 3.55Å; F71-W93 HydrophobicContact CD2-CE3 3.55Å; F71-W93 AromaticContact CD2-CG 3.72Å; F71-W93 HydrophobicContact CD2-CG 3.72Å; F71-W93 HydrophobicContact CD2-CH2 4.42Å; F71-W93 HydrophobicContact CD2-CZ2 4.3Å; F71-W93 HydrophobicContact CD2-CZ3 4.06Å; F71-W93 AromaticContact CE1-CE3 3.88Å; F71-W93 HydrophobicContact CE1-CE3 3.88Å; F71-W93 AromaticContact CE1-CZ3 3.83Å; F71-W93 HydrophobicContact CE1-CZ3 3.83Å; F71-W93 HydrophobicContact CE2-CB 3.83Å; F71-W93 AromaticContact CE2-CD2 3.57Å; F71-W93 HydrophobicContact CE2-CD2 3.57Å; F71-W93 AromaticContact CE2-CE3 3.41Å; F71-W93 HydrophobicContact CE2-CE3 3.41Å; F71-W93 VanDerWaalsContact CE2-CE3 3.41Å; F71-W93 AromaticContact CE2-CG 3.75Å; F71-W93 HydrophobicContact CE2-CG 3.75Å; F71-W93 HydrophobicContact CE2-CZ3 4.15Å; F71-W93 AromaticContact CG-CD2 3.93Å; F71-W93 HydrophobicContact CG-CD2 3.93Å; F71-W93 AromaticContact CG-CE3 3.82Å; F71-W93 HydrophobicContact CG-CE3 3.82Å; F71-W93 AromaticContact CG-CH2 3.95Å; F71-W93 HydrophobicContact CG-CH2 3.95Å; F71-W93 HydrophobicContact CG-CZ2 4.03Å; F71-W93 AromaticContact CG-CZ3 3.83Å; F71-W93 HydrophobicContact CG-CZ3 3.83Å; F71-W93 HydrophobicContact CZ-CD2 4.23Å; F71-W93 AromaticContact CZ-CE3 3.58Å; F71-W93 HydrophobicContact CZ-CE3 3.58Å; F71-W93 HydrophobicContact CZ-CZ3 4.04Å; F71-L122 HydrophobicContact CB-CD1 4.18Å; F71-L122 HydrophobicContact CD2-CD1 4.35Å; F71-L125 HydrophobicContact CD2-CD1 3.79Å; F71-L125 HydrophobicContact CE2-CD1 3.67Å
72L96.9Very high94.6Very high63 Ų6346.4 Ų46.433%0.3324%0.243SC..Hα-helixtrans-61.8-40.1179.2-72.4177.6000111.8Y68 P69 P70 A76Y68-L72 HydrophobicContact CD1-CD1 4.06Å; Y68-L72 HydrophobicContact CD2-CG 4.3Å; Y68-L72 HydrophobicContact CE1-CD1 3.65Å; Y68-L72 HydrophobicContact CE1-CG 4.28Å; Y68-L72 HydrophobicContact CE2-CD1 4.25Å; Y68-L72 HydrophobicContact CE2-CD2 3.98Å; Y68-L72 HydrophobicContact CE2-CG 3.96Å; Y68-L72 WeakPolarHBondContact O-CG 3.35Å; Y68-L72 PolarHBondContact O-N 3.5Å; P69-L72 PolarHBondContact O-N 3.24Å; P70-L72 PolarHBondContact O-N 3.49Å; L72-A76 VanDerWaalsContact O-CB 3.24Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 2.95Å
73F96.5Very high94.4Very high118 Ų11845.1 Ų45.152%0.51824%0.238SC..Hα-helixtrans-59.5-53.9176175.6-97000111.5P69 P70 F71 L75 A76 V77P69-F73 PolarHBondContact O-N 3.43Å; P70-F73 PolarHBondContact O-N 3.14Å; F71-F73 VanDerWaalsContact C-N 3.31Å; F71-F73 PolarHBondContact O-N 2.9Å; F73-L75 PolarHBondContact O-N 3.35Å; F73-A76 PolarHBondContact O-N 3Å; F73-V77 HydrophobicContact CD2-CG2 4.03Å; F73-V77 HydrophobicContact CE2-CG2 3.78Å; F73-V77 HydrophobicContact CZ-CG2 4.03Å; F73-V77 WeakPolarHBondContact O-CB 3.38Å; F73-V77 WeakPolarHBondContact O-CG2 3.41Å; F73-V77 PolarHBondContact O-N 2.93Å
74F96.1Very high94.3Very high47 Ų4751.6 Ų51.621%0.20626%0.261CS..Hα-helixtrans-68.2-33.6-178.6-65.1-57.7000112.9P70 F71 G78 L125 V126 T129P70-F74 HydrophobicContact CB-CD2 4.44Å; P70-F74 HydrophobicContact CB-CE2 4.18Å; P70-F74 WeakPolarHBondContact O-CD2 3.31Å; P70-F74 PolarHBondContact O-N 3.28Å; F71-F74 PolarHBondContact O-N 2.88Å; F74-G78 WeakPolarHBondContact O-CA 3.42Å; F74-G78 PolarHBondContact O-N 3.17Å; F74-L125 HydrophobicContact CB-CB 4.1Å; F74-V126 HydrophobicContact CD1-CG2 4.4Å; F74-V126 HydrophobicContact CD2-CG2 3.7Å; F74-V126 HydrophobicContact CE1-CG1 4.43Å; F74-V126 HydrophobicContact CE1-CG2 4.3Å; F74-V126 HydrophobicContact CE2-CG2 3.61Å; F74-V126 HydrophobicContact CG-CG2 4.13Å; F74-V126 HydrophobicContact CZ-CG1 4.42Å; F74-V126 HydrophobicContact CZ-CG2 3.92Å; F74-T129 HydrophobicContact CD1-CG2 3.92Å; F74-T129 WeakPolarHBondContact CD1-OG1 3.44Å; F74-T129 HydrophobicContact CE1-CG2 4.3Å; F74-T129 PolarHBondContact O-OG1 3.09Å
75L96.2Very high94.2Very high3 Ų356.3 Ų56.32%0.01629%0.285CS..Hα-helixtrans-62.8-50.1172.9179.965.2000111.2V11 T14 F71 F73 G79 A86 L125V11-L75 HydrophobicContact CG1-CD1 4.05Å; V11-L75 HydrophobicContact CG1-CG 3.85Å; V11-L75 WeakPolarHBondContact CG1-O 3.37Å; T14-L75 HydrophobicContact CG2-CD1 4.1Å; T14-L75 HydrophobicContact CG2-CD2 4.05Å; F71-L75 HydrophobicContact CE1-CD2 3.94Å; F71-L75 HydrophobicContact CZ-CD2 3.84Å; F71-L75 VanDerWaalsContact O-CB 3.24Å; F71-L75 WeakPolarHBondContact O-CB 3.4Å; F71-L75 PolarHBondContact O-N 3.34Å; F73-L75 PolarHBondContact O-N 3.35Å; L75-G79 WeakPolarHBondContact O-CA 3.32Å; L75-G79 PolarHBondContact O-N 3.05Å; L75-A86 HydrophobicContact CD1-CB 4.41Å; L75-A86 WeakPolarHBondContact CD1-O 3.49Å; L75-L125 HydrophobicContact CD1-CD2 4.34Å
76A94.9Very high94.1Very high42 Ų4252.8 Ų52.835%0.34727%0.266SS..Hα-helixtrans-68.2-47.9-176.200000111.7Y8 L72 F73 V80Y8-A76 PolarHBondContact OH-O 3.35Å; L72-A76 VanDerWaalsContact O-CB 3.24Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 2.95Å; F73-A76 PolarHBondContact O-N 3Å; A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 3.44Å
77V93.3Very high94.1Very high52 Ų5248.1 Ų48.132%0.31525%0.245SC..Hα-helixtrans-74.9-51-176.3178.60000111.2F73 G79 V80 T129F73-V77 HydrophobicContact CD2-CG2 4.03Å; F73-V77 HydrophobicContact CE2-CG2 3.78Å; F73-V77 HydrophobicContact CZ-CG2 4.03Å; F73-V77 WeakPolarHBondContact O-CB 3.38Å; F73-V77 WeakPolarHBondContact O-CG2 3.41Å; F73-V77 PolarHBondContact O-N 2.93Å; V77-G79 PolarHBondContact O-N 2.91Å; V77-V80 WeakPolarHBondContact O-CB 3.47Å; V77-V80 PolarHBondContact O-N 3.44Å; V77-V80 VanDerWaalsContact O-N 3.1Å; V77-T129 HydrophobicContact CB-CG2 4.41Å; V77-T129 HydrophobicContact CG1-CG2 3.93Å
78G90.8Very high94.1Very high0 Ų048.7 Ų48.70%026%0.257CS..Hα-helixtrans-63.5-30.5176.600000112.3F74 V80 Y81 H82F74-G78 WeakPolarHBondContact O-CA 3.42Å; F74-G78 PolarHBondContact O-N 3.17Å; G78-V80 VanDerWaalsContact C-N 3.25Å; G78-V80 PolarHBondContact O-N 3.08Å; G78-Y81 PolarHBondContact O-N 2.87Å; G78-H82 PolarHBondContact O-N 3.38Å
79G92.1Very high94.1Very high0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-65.9-21.6174.700000114.5Y8 L75 V77 Y81 P83Y8-G79 VanDerWaalsContact CD2-O 3.27Å; Y8-G79 WeakPolarHBondContact CD2-O 3.28Å; Y8-G79 VanDerWaalsContact CE2-C 3.43Å; L75-G79 WeakPolarHBondContact O-CA 3.32Å; L75-G79 PolarHBondContact O-N 3.05Å; V77-G79 PolarHBondContact O-N 2.91Å; G79-Y81 VanDerWaalsContact C-N 3.3Å; G79-Y81 PolarHBondContact O-N 3.2Å; G79-P83 VanDerWaalsContact O-CA 3.25Å; G79-P83 WeakPolarHBondContact O-CA 3.38Å; G79-P83 WeakPolarHBondContact O-CB 3.47Å; G79-P83 WeakPolarHBondContact O-CD 3.09Å
80V91.7Very high94.1Very high62 Ų6245.5 Ų45.538%0.37624%0.237SC..Hα-helixtrans-63.9-40.5179.2176.90000110.5L4 Y8 A76 V77 G78L4-V80 HydrophobicContact CD2-CG1 4.2Å; Y8-V80 HydrophobicContact CE2-CB 4.49Å; Y8-V80 HydrophobicContact CE2-CG2 3.94Å; A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 3.44Å; V77-V80 WeakPolarHBondContact O-CB 3.47Å; V77-V80 PolarHBondContact O-N 3.44Å; V77-V80 VanDerWaalsContact O-N 3.1Å; G78-V80 VanDerWaalsContact C-N 3.25Å; G78-V80 PolarHBondContact O-N 3.08Å
81Y88Confident94.2Very high97 Ų9747.2 Ų47.238%0.3824%0.243SC..Hα-helixtrans-96.9-32.3-177.8-57.3-81.2000112.5G78 G79 P83 S132 H136G78-Y81 PolarHBondContact O-N 2.87Å; G79-Y81 VanDerWaalsContact C-N 3.3Å; G79-Y81 PolarHBondContact O-N 3.2Å; Y81-P83 VanDerWaalsContact C-CD 3.49Å; Y81-S132 WeakPolarHBondContact CB-OG 3.45Å; Y81-S132 VanDerWaalsContact CD2-OG 3.28Å; Y81-S132 WeakPolarHBondContact CD2-OG 3.37Å; Y81-H136 AromaticContact CE1-CD2 3.77Å; Y81-H136 AromaticContact CE1-NE2 3.02Å; Y81-H136 WeakPolarHBondContact CE1-NE2 3Å; Y81-H136 AromaticContact CZ-CD2 3.6Å; Y81-H136 AromaticContact CZ-CE1 3.98Å; Y81-H136 AromaticContact CZ-NE2 2.99Å; Y81-H136 PolarHBondContact OH-CE1 3.05Å; Y81-H136 PolarHBondContact OH-NE2 3.43Å
82H89.8Confident94.1Very high47 Ų4748.6 Ų48.622%0.21825%0.254CS..  trans-130.261.1-174-57.4-54.7000111.9G78 R84 I85 A86G78-H82 PolarHBondContact O-N 3.38Å; H82-R84 PolarHBondContact O-N 3.01Å; H82-I85 HydrophobicContact CB-CB 4.34Å; H82-I85 PolarHBondContact O-N 3.19Å; H82-A86 VanDerWaalsContact O-CB 3.26Å; H82-A86 WeakPolarHBondContact O-CB 3.32Å; H82-A86 PolarHBondContact O-N 3.47Å
83P91.6Very high94.1Very high12 Ų1245.6 Ų45.68%0.07824%0.238CC..Hα-helixtrans-60-42.7-169.321-32.5000113.7E7 V11 G79 Y81 S87E7-P83 HydrophobicContact CB-CB 3.98Å; E7-P83 HydrophobicContact CB-CG 3.75Å; V11-P83 HydrophobicContact CG2-CB 3.94Å; G79-P83 VanDerWaalsContact O-CA 3.25Å; G79-P83 WeakPolarHBondContact O-CA 3.38Å; G79-P83 WeakPolarHBondContact O-CB 3.47Å; G79-P83 WeakPolarHBondContact O-CD 3.09Å; Y81-P83 VanDerWaalsContact C-CD 3.49Å; P83-S87 VanDerWaalsContact O-CB 3.27Å; P83-S87 WeakPolarHBondContact O-CB 3.41Å; P83-S87 PolarHBondContact O-N 2.87Å; P83-S87 PolarHBondContact O-OG 3.18Å
84R93.2Very high94.1Very high167 Ų16740.9 Ų40.963%0.6322%0.218SC*.Hα-helixtrans-66.5-46.4179.7-60.7-179.4-174.9-171.9-4.3112.2E7 H82 S87 G88E7-R84 IonicContact OE1-CZ 3.09Å; E7-R84 IonicContact OE1-NE 2.87Å; E7-R84 PolarHBondContact OE1-NE 3.23Å; E7-R84 IonicContact OE1-NH2 2.6Å; E7-R84 PolarHBondContact OE1-NH2 2.88Å; E7-R84 WeakPolarHBondContact OE2-CG 3.36Å; E7-R84 IonicContact OE2-CZ 3.87Å; E7-R84 IonicContact OE2-NE 2.98Å; E7-R84 PolarHBondContact OE2-NE 3.47Å; H82-R84 PolarHBondContact O-N 3.01Å; R84-S87 PolarHBondContact O-N 3.32Å; R84-G88 PolarHBondContact O-N 2.85Å
85I93.6Very high94.1Very high99 Ų9942.5 Ų42.551%0.50823%0.232SC..Hα-helixtrans-67.9-46.8-178.4-59.1176.4000109.9H82 S87 G88 L89 T128H82-I85 HydrophobicContact CB-CB 4.34Å; H82-I85 PolarHBondContact O-N 3.19Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.29Å; I85-G88 PolarHBondContact O-N 3.36Å; I85-L89 HydrophobicContact CG2-CD1 3.82Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.49Å; I85-L89 WeakPolarHBondContact O-CG 3.35Å; I85-L89 PolarHBondContact O-N 2.98Å; I85-T128 HydrophobicContact CG2-CG2 3.86Å
86A94.8Very high94Very high0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-59.7-41.9177.500000111.6L75 H82 G90 L125L75-A86 HydrophobicContact CD1-CB 4.41Å; L75-A86 WeakPolarHBondContact CD1-O 3.49Å; H82-A86 VanDerWaalsContact O-CB 3.26Å; H82-A86 WeakPolarHBondContact O-CB 3.32Å; H82-A86 PolarHBondContact O-N 3.47Å; A86-G90 PolarHBondContact O-N 3.02Å; A86-L125 HydrophobicContact CB-CD2 3.97Å
87S95.4Very high94Very high7 Ų741.3 Ų41.35%0.04922%0.218CC..Hα-helixtrans-65-44.8176.2-58.20000112.2F10 V11 P83 R84 I85 G90 L91F10-S87 VanDerWaalsContact CB-OG 3.28Å; F10-S87 WeakPolarHBondContact CB-OG 3.36Å; F10-S87 PolarHBondContact O-OG 3.45Å; V11-S87 WeakPolarHBondContact CA-OG 3.3Å; V11-S87 WeakPolarHBondContact CG2-OG 3.37Å; V11-S87 PolarHBondContact N-OG 3.1Å; V11-S87 VanDerWaalsContact N-OG 3.11Å; P83-S87 VanDerWaalsContact O-CB 3.27Å; P83-S87 WeakPolarHBondContact O-CB 3.41Å; P83-S87 PolarHBondContact O-N 2.87Å; P83-S87 PolarHBondContact O-OG 3.18Å; R84-S87 PolarHBondContact O-N 3.32Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.29Å; S87-G90 PolarHBondContact O-N 3Å; S87-L91 WeakPolarHBondContact O-CG 3.44Å; S87-L91 PolarHBondContact O-N 3Å
88G96.3Very high94Very high41 Ų4140.8 Ų40.842%0.42322%0.215SC..Hα-helixtrans-61.5-45.7177.500000112.8R84 I85 G90 L91 A92R84-G88 PolarHBondContact O-N 2.85Å; I85-G88 PolarHBondContact O-N 3.36Å; G88-G90 VanDerWaalsContact C-N 3.33Å; G88-L91 PolarHBondContact O-N 2.71Å; G88-A92 PolarHBondContact O-N 2.73Å
89L96.3Very high94.1Very high42 Ų4243.9 Ų43.922%0.2223%0.232CC..Hα-helixtrans-65.4-37.3174.2-67.5170000111.6I85 A92 W93 A121 L125 T128I85-L89 HydrophobicContact CG2-CD1 3.82Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.49Å; I85-L89 WeakPolarHBondContact O-CG 3.35Å; I85-L89 PolarHBondContact O-N 2.98Å; L89-A92 PolarHBondContact O-N 2.9Å; L89-W93 WeakPolarHBondContact O-CB 3.5Å; L89-W93 PolarHBondContact O-N 3.12Å; L89-A121 WeakPolarHBondContact O-CB 3.29Å; L89-L125 HydrophobicContact CB-CD1 4.43Å; L89-L125 HydrophobicContact CB-CD2 4.2Å; L89-L125 HydrophobicContact CB-CG 3.82Å; L89-L125 HydrophobicContact CD1-CG 4.42Å; L89-T128 HydrophobicContact CD1-CG2 4.04Å
90G96.5Very high94.1Very high0 Ų045.1 Ų45.10%024%0.237CC..Hα-helixtrans-64-42.2176.400000112.9A86 S87 G88 W93 I94A86-G90 PolarHBondContact O-N 3.02Å; S87-G90 PolarHBondContact O-N 3Å; G88-G90 VanDerWaalsContact C-N 3.33Å; G90-W93 WeakPolarHBondContact O-CB 3.49Å; G90-W93 PolarHBondContact O-N 3.22Å; G90-I94 VanDerWaalsContact O-CG1 3.32Å; G90-I94 WeakPolarHBondContact O-CG1 3.43Å; G90-I94 PolarHBondContact O-N 3.22Å
91L97Very high94Very high92 Ų9242.2 Ų42.248%0.48222%0.219SC..Hα-helixtrans-63.9-43.7172.7-71.3174000111.9T14 S87 G88 W93 I94 V95T14-L91 HydrophobicContact CG2-CD2 4.49Å; T14-L91 HydrophobicContact CG2-CG 4.37Å; S87-L91 WeakPolarHBondContact O-CG 3.44Å; S87-L91 PolarHBondContact O-N 3Å; G88-L91 PolarHBondContact O-N 2.71Å; L91-W93 VanDerWaalsContact C-N 3.25Å; L91-W93 PolarHBondContact O-N 3.36Å; L91-I94 HydrophobicContact CD2-CD1 4.36Å; L91-I94 PolarHBondContact O-N 2.88Å; L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.41Å
92A96.2Very high94.1Very high29 Ų2943.1 Ų43.124%0.2422%0.222CC..Hα-helixtrans-59.8-37.917500000111.8G88 L89 G96 L117 A121G88-A92 PolarHBondContact O-N 2.73Å; L89-A92 PolarHBondContact O-N 2.9Å; A92-G96 PolarHBondContact O-N 2.72Å; A92-L117 HydrophobicContact CB-CD2 4.47Å; A92-A121 HydrophobicContact CB-CB 3.86Å
93W96.9Very high94Very high1 Ų140.9 Ų40.90%0.00421%0.212CC..Hα-helixtrans-63.5-46.6173.4-175.988.7000112.4M21 T64 V67 Y68 F71 L89 G90 L91 V95 G96 R97 A121M21-W93 HydrophobicContact CE-CE3 4.31Å; M21-W93 HydrophobicContact CE-CH2 3.89Å; M21-W93 HydrophobicContact CE-CZ3 3.44Å; M21-W93 VanDerWaalsContact CE-CZ3 3.44Å; T64-W93 HydrophobicContact CG2-CH2 4.23Å; V67-W93 HydrophobicContact CG1-CZ2 4.26Å; Y68-W93 AromaticContact CD2-CH2 3.87Å; Y68-W93 HydrophobicContact CD2-CH2 3.87Å; Y68-W93 HydrophobicContact CD2-CZ3 4.17Å; F71-W93 HydrophobicContact CB-CH2 4.19Å; F71-W93 HydrophobicContact CB-CZ2 3.98Å; F71-W93 AromaticContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CH2 4.06Å; F71-W93 AromaticContact CD1-CZ3 3.71Å; F71-W93 HydrophobicContact CD1-CZ3 3.71Å; F71-W93 HydrophobicContact CD2-CB 4.25Å; F71-W93 AromaticContact CD2-CD2 3.4Å; F71-W93 HydrophobicContact CD2-CD2 3.4Å; F71-W93 VanDerWaalsContact CD2-CD2 3.4Å; F71-W93 AromaticContact CD2-CE2 3.8Å; F71-W93 AromaticContact CD2-CE3 3.55Å; F71-W93 HydrophobicContact CD2-CE3 3.55Å; F71-W93 AromaticContact CD2-CG 3.72Å; F71-W93 HydrophobicContact CD2-CG 3.72Å; F71-W93 HydrophobicContact CD2-CH2 4.42Å; F71-W93 HydrophobicContact CD2-CZ2 4.3Å; F71-W93 HydrophobicContact CD2-CZ3 4.06Å; F71-W93 AromaticContact CE1-CE3 3.88Å; F71-W93 HydrophobicContact CE1-CE3 3.88Å; F71-W93 AromaticContact CE1-CZ3 3.83Å; F71-W93 HydrophobicContact CE1-CZ3 3.83Å; F71-W93 HydrophobicContact CE2-CB 3.83Å; F71-W93 AromaticContact CE2-CD2 3.57Å; F71-W93 HydrophobicContact CE2-CD2 3.57Å; F71-W93 AromaticContact CE2-CE3 3.41Å; F71-W93 HydrophobicContact CE2-CE3 3.41Å; F71-W93 VanDerWaalsContact CE2-CE3 3.41Å; F71-W93 AromaticContact CE2-CG 3.75Å; F71-W93 HydrophobicContact CE2-CG 3.75Å; F71-W93 HydrophobicContact CE2-CZ3 4.15Å; F71-W93 AromaticContact CG-CD2 3.93Å; F71-W93 HydrophobicContact CG-CD2 3.93Å; F71-W93 AromaticContact CG-CE3 3.82Å; F71-W93 HydrophobicContact CG-CE3 3.82Å; F71-W93 AromaticContact CG-CH2 3.95Å; F71-W93 HydrophobicContact CG-CH2 3.95Å; F71-W93 HydrophobicContact CG-CZ2 4.03Å; F71-W93 AromaticContact CG-CZ3 3.83Å; F71-W93 HydrophobicContact CG-CZ3 3.83Å; F71-W93 HydrophobicContact CZ-CD2 4.23Å; F71-W93 AromaticContact CZ-CE3 3.58Å; F71-W93 HydrophobicContact CZ-CE3 3.58Å; F71-W93 HydrophobicContact CZ-CZ3 4.04Å; L89-W93 WeakPolarHBondContact O-CB 3.5Å; L89-W93 PolarHBondContact O-N 3.12Å; G90-W93 WeakPolarHBondContact O-CB 3.49Å; G90-W93 PolarHBondContact O-N 3.22Å; L91-W93 VanDerWaalsContact C-N 3.25Å; L91-W93 PolarHBondContact O-N 3.36Å; W93-V95 PolarHBondContact O-N 3.38Å; W93-G96 PolarHBondContact O-N 3.25Å; W93-R97 HydrophobicContact CD2-CG 3.86Å; W93-R97 HydrophobicContact CE3-CG 4.04Å; W93-R97 HydrophobicContact CH2-CG 3.86Å; W93-R97 HydrophobicContact CZ2-CG 3.68Å; W93-R97 VanDerWaalsContact CZ2-NE 3.29Å; W93-R97 HydrophobicContact CZ3-CG 4.05Å; W93-R97 WeakPolarHBondContact O-CG 3.31Å; W93-R97 PolarHBondContact O-N 2.99Å; W93-A121 HydrophobicContact CB-CB 4.13Å
94I96.8Very high93.7Very high19 Ų1941.1 Ų41.110%0.09721%0.211CC..Hα-helixtrans-57.6-49.7177.4-68.3164.9000110.4T14 A17 M21 G90 L91 G96 R97 V98T14-I94 HydrophobicContact CG2-CD1 4.11Å; A17-I94 HydrophobicContact CB-CD1 4.01Å; M21-I94 HydrophobicContact CB-CG2 3.99Å; M21-I94 HydrophobicContact CG-CG2 4.11Å; G90-I94 VanDerWaalsContact O-CG1 3.32Å; G90-I94 WeakPolarHBondContact O-CG1 3.43Å; G90-I94 PolarHBondContact O-N 3.22Å; L91-I94 HydrophobicContact CD2-CD1 4.36Å; L91-I94 PolarHBondContact O-N 2.88Å; I94-G96 PolarHBondContact O-N 3.43Å; I94-R97 PolarHBondContact O-N 2.78Å; I94-V98 WeakPolarHBondContact O-CG2 3.39Å; I94-V98 PolarHBondContact O-N 3.3Å
95V95.9Very high93.4Very high80 Ų8035.3 Ų35.349%0.48519%0.19SC..Hα-helixtrans-61.2-45.2177.5174.20000110.8L91 W93 R97 V98 L99L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.41Å; W93-V95 PolarHBondContact O-N 3.38Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 3.31Å; V95-V98 PolarHBondContact O-N 3.47Å; V95-L99 HydrophobicContact CG1-CD1 4.11Å; V95-L99 HydrophobicContact CG1-CG 4.44Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 3.46Å
96G94.1Very high93Very high1 Ų133.4 Ų33.41%0.0118%0.183CC..Hα-helixtrans-57.8-38.7175.900000113A92 W93 I94 L99 Y100 G115A92-G96 PolarHBondContact O-N 2.72Å; W93-G96 PolarHBondContact O-N 3.25Å; I94-G96 PolarHBondContact O-N 3.43Å; G96-L99 PolarHBondContact O-N 3.27Å; G96-Y100 VanDerWaalsContact O-CB 3.28Å; G96-Y100 WeakPolarHBondContact O-CB 3.34Å; G96-Y100 PolarHBondContact O-N 2.82Å; G96-G115 WeakPolarHBondContact O-CA 3.28Å
97R93.9Very high92.1Very high19 Ų1934 Ų347%0.07219%0.189CC..Hα-helixtrans-69.5-38.4176.6-74.6-66.7178.6-175.8-1113.2M21 N63 T64 V67 W93 I94 V95 Y100 A101M21-R97 HydrophobicContact CE-CB 3.96Å; M21-R97 HydrophobicContact CE-CG 4.26Å; M21-R97 HydrophobicContact SD-CB 4Å; N63-R97 PolarHBondContact OD1-NH1 2.82Å; T64-R97 HydrophobicContact CG2-CG 4.46Å; V67-R97 VanDerWaalsContact CB-NH2 3.25Å; V67-R97 VanDerWaalsContact CG1-NH2 3.3Å; W93-R97 HydrophobicContact CD2-CG 3.86Å; W93-R97 HydrophobicContact CE3-CG 4.04Å; W93-R97 HydrophobicContact CH2-CG 3.86Å; W93-R97 HydrophobicContact CZ2-CG 3.68Å; W93-R97 VanDerWaalsContact CZ2-NE 3.29Å; W93-R97 HydrophobicContact CZ3-CG 4.05Å; W93-R97 WeakPolarHBondContact O-CG 3.31Å; W93-R97 PolarHBondContact O-N 2.99Å; I94-R97 PolarHBondContact O-N 2.78Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 3.31Å; R97-Y100 WeakPolarHBondContact O-CB 3.21Å; R97-Y100 PolarHBondContact O-N 3.36Å; R97-A101 WeakPolarHBondContact O-CB 3.16Å; R97-A101 PolarHBondContact O-N 3.28Å
98V93.9Very high91.4Very high41 Ų4137.9 Ų37.925%0.24821%0.207CC..Hα-helixtrans-62.4-48.7172.9174.40000110.1M21 I94 V95 Y100 A101 Y102M21-V98 HydrophobicContact CG-CG2 3.76Å; I94-V98 WeakPolarHBondContact O-CG2 3.39Å; I94-V98 PolarHBondContact O-N 3.3Å; V95-V98 PolarHBondContact O-N 3.47Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.22Å; V98-A101 PolarHBondContact O-N 3.25Å; V98-Y102 HydrophobicContact CG1-CD2 3.56Å; V98-Y102 HydrophobicContact CG1-CE2 3.49Å; V98-Y102 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y102 WeakPolarHBondContact O-CD2 3.23Å; V98-Y102 PolarHBondContact O-N 3.46Å
99L92.4Very high90.4Very high66 Ų6639.4 Ų39.435%0.34621%0.209SC..Hα-helixtrans-61.8-39.5177.1-67.9174.9000112.8V95 G96 G103V95-L99 HydrophobicContact CG1-CD1 4.11Å; V95-L99 HydrophobicContact CG1-CG 4.44Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 3.46Å; G96-L99 PolarHBondContact O-N 3.27Å; L99-G103 PolarHBondContact O-N 3.08Å
100Y91.1Very high89.6Confident26 Ų2641.3 Ų41.310%0.10223%0.226CC..Hα-helixtrans-58.8-49173.5178.2-92.1000111.6A60 N63 G96 R97 V98 G103 Y104 R112A60-Y100 HydrophobicContact CB-CE1 4.39Å; N63-Y100 HydrophobicContact CB-CE1 4.43Å; N63-Y100 PolarHBondContact OD1-OH 3.42Å; G96-Y100 VanDerWaalsContact O-CB 3.28Å; G96-Y100 WeakPolarHBondContact O-CB 3.34Å; G96-Y100 PolarHBondContact O-N 2.82Å; R97-Y100 WeakPolarHBondContact O-CB 3.21Å; R97-Y100 PolarHBondContact O-N 3.36Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.22Å; Y100-G103 PolarHBondContact O-N 3.34Å; Y100-Y104 HydrophobicContact CD1-CD2 4.09Å; Y100-Y104 HydrophobicContact CD1-CE2 4.47Å; Y100-Y104 HydrophobicContact CD2-CE2 4.49Å; Y100-Y104 AromaticContact CE1-CD2 3.64Å; Y100-Y104 HydrophobicContact CE1-CD2 3.64Å; Y100-Y104 AromaticContact CE1-CE2 3.68Å; Y100-Y104 HydrophobicContact CE1-CE2 3.68Å; Y100-Y104 HydrophobicContact CE2-CD2 4.18Å; Y100-Y104 AromaticContact CE2-CE2 3.73Å; Y100-Y104 HydrophobicContact CE2-CE2 3.73Å; Y100-Y104 AromaticContact CZ-CD2 3.71Å; Y100-Y104 AromaticContact CZ-CE2 3.25Å; Y100-Y104 PolarHBondContact O-N 3.24Å; Y100-Y104 WeakPolarHBondContact OH-CE2 3.38Å; Y100-R112 HydrophobicContact CD2-CB 3.92Å; Y100-R112 HydrophobicContact CE2-CB 3.72Å; Y100-R112 HydrophobicContact CE2-CG 4.26Å
101A90.4Very high88.7Confident1 Ų144.9 Ų44.91%0.00824%0.242CC..Hα-helixtrans-64.5-48.4-17900000111.5L25 A60 R97 V98 G103 Y104 Y105L25-A101 HydrophobicContact CD1-CB 4.24Å; L25-A101 HydrophobicContact CD2-CB 4.06Å; L25-A101 HydrophobicContact CG-CB 4.11Å; A60-A101 HydrophobicContact CB-CB 4.26Å; R97-A101 WeakPolarHBondContact O-CB 3.16Å; R97-A101 PolarHBondContact O-N 3.28Å; V98-A101 PolarHBondContact O-N 3.25Å; A101-G103 PolarHBondContact O-N 2.85Å; A101-Y104 WeakPolarHBondContact O-CB 3.32Å; A101-Y104 PolarHBondContact O-N 2.84Å; A101-Y105 HydrophobicContact CB-CE1 4.16Å; A101-Y105 WeakPolarHBondContact O-CD1 3.22Å; A101-Y105 WeakPolarHBondContact O-CE1 3.47Å; A101-Y105 PolarHBondContact O-N 3.36Å
102Y89.4Confident87.7Confident115 Ų11546.8 Ų46.845%0.45124%0.242SC..Hα-helixtrans-61.9-31.5175.3-79.8-71.8000112.8H24 V98 Y105H24-Y102 PolarHBondContact NE2-OH 3.01Å; V98-Y102 HydrophobicContact CG1-CD2 3.56Å; V98-Y102 HydrophobicContact CG1-CE2 3.49Å; V98-Y102 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y102 WeakPolarHBondContact O-CD2 3.23Å; V98-Y102 PolarHBondContact O-N 3.46Å; Y102-Y105 AromaticContact CD1-CD2 3.99Å; Y102-Y105 HydrophobicContact CD1-CD2 3.99Å; Y102-Y105 HydrophobicContact CD1-CE2 4.49Å; Y102-Y105 HydrophobicContact CE1-CD2 4.32Å; Y102-Y105 PolarHBondContact O-N 3.05Å
103G87.8Confident86.9Confident0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-59.8-51169.200000111.9L99 Y100 A101 Y105 T106L99-G103 PolarHBondContact O-N 3.08Å; Y100-G103 PolarHBondContact O-N 3.34Å; A101-G103 PolarHBondContact O-N 2.85Å; G103-Y105 VanDerWaalsContact C-N 3.3Å; G103-Y105 PolarHBondContact O-N 3.26Å; G103-T106 WeakPolarHBondContact O-CB 3.3Å; G103-T106 PolarHBondContact O-N 2.97Å; G103-T106 PolarHBondContact O-OG1 2.98Å
104Y85.2Confident86.1Confident17 Ų1756.4 Ų56.47%0.06729%0.285CS..Hα-helixtrans-61.8-34.8176.3-99.8-84.6000113.4C56 A60 Y100 A101 T106 G107 P109 R112C56-Y104 HydrophobicContact CB-CD1 3.9Å; C56-Y104 VanDerWaalsContact CB-O 3.29Å; C56-Y104 WeakPolarHBondContact CB-O 3.29Å; A60-Y104 HydrophobicContact CB-CD2 4.36Å; A60-Y104 HydrophobicContact CB-CG 4.06Å; Y100-Y104 HydrophobicContact CD1-CD2 4.09Å; Y100-Y104 HydrophobicContact CD1-CE2 4.47Å; Y100-Y104 HydrophobicContact CD2-CE2 4.49Å; Y100-Y104 AromaticContact CE1-CD2 3.64Å; Y100-Y104 HydrophobicContact CE1-CD2 3.64Å; Y100-Y104 AromaticContact CE1-CE2 3.68Å; Y100-Y104 HydrophobicContact CE1-CE2 3.68Å; Y100-Y104 HydrophobicContact CE2-CD2 4.18Å; Y100-Y104 AromaticContact CE2-CE2 3.73Å; Y100-Y104 HydrophobicContact CE2-CE2 3.73Å; Y100-Y104 AromaticContact CZ-CD2 3.71Å; Y100-Y104 AromaticContact CZ-CE2 3.25Å; Y100-Y104 PolarHBondContact O-N 3.24Å; Y100-Y104 WeakPolarHBondContact OH-CE2 3.38Å; A101-Y104 WeakPolarHBondContact O-CB 3.32Å; A101-Y104 PolarHBondContact O-N 2.84Å; Y104-T106 PolarHBondContact O-N 2.85Å; Y104-G107 PolarHBondContact O-N 3.32Å; Y104-P109 HydrophobicContact CE1-CB 4.32Å; Y104-R112 HydrophobicContact CD2-CB 3.68Å; Y104-R112 HydrophobicContact CE2-CB 3.3Å; Y104-R112 HydrophobicContact CE2-CG 4.14Å; Y104-R112 WeakPolarHBondContact OH-CD 3.33Å
105Y87.3Confident85.3Confident45 Ų4555.7 Ų55.718%0.17628%0.283CS..THydrogen-bonded Turntrans-65.2-13.9-177.9-64.5-2.1000113.3N28 I57 A60 A101 Y102 G103 G107N28-Y105 HydrophobicContact CB-CE2 4.13Å; N28-Y105 WeakPolarHBondContact CB-OH 3.49Å; I57-Y105 HydrophobicContact CB-CD1 4.01Å; I57-Y105 HydrophobicContact CB-CE1 3.98Å; I57-Y105 HydrophobicContact CG1-CD1 3.47Å; I57-Y105 VanDerWaalsContact CG1-CD1 3.47Å; I57-Y105 HydrophobicContact CG1-CE1 3.92Å; I57-Y105 HydrophobicContact CG1-CG 4.06Å; I57-Y105 HydrophobicContact CG2-CD1 4.17Å; I57-Y105 HydrophobicContact CG2-CE1 3.69Å; A60-Y105 HydrophobicContact CB-CE1 4.2Å; A101-Y105 HydrophobicContact CB-CE1 4.16Å; A101-Y105 WeakPolarHBondContact O-CD1 3.22Å; A101-Y105 WeakPolarHBondContact O-CE1 3.47Å; A101-Y105 PolarHBondContact O-N 3.36Å; Y102-Y105 AromaticContact CD1-CD2 3.99Å; Y102-Y105 HydrophobicContact CD1-CD2 3.99Å; Y102-Y105 HydrophobicContact CD1-CE2 4.49Å; Y102-Y105 HydrophobicContact CE1-CD2 4.32Å; Y102-Y105 PolarHBondContact O-N 3.05Å; G103-Y105 VanDerWaalsContact C-N 3.3Å; G103-Y105 PolarHBondContact O-N 3.26Å; Y105-G107 PolarHBondContact O-N 3.23Å
106T85.1Confident84.7Confident59 Ų5954.2 Ų54.236%0.36228%0.279SS..THydrogen-bonded Turntrans-72.8-10.217366.30000113.9G103 Y104 E108 K111G103-T106 WeakPolarHBondContact O-CB 3.3Å; G103-T106 PolarHBondContact O-N 2.97Å; G103-T106 PolarHBondContact O-OG1 2.98Å; Y104-T106 PolarHBondContact O-N 2.85Å; T106-E108 VanDerWaalsContact C-N 3.27Å; T106-E108 PolarHBondContact O-N 3.33Å; T106-K111 HydrophobicContact CG2-CD 4.15Å; T106-K111 VanDerWaalsContact OG1-CD 3.24Å; T106-K111 WeakPolarHBondContact OG1-CD 3.1Å
107G76.6Confident84.4Confident13 Ų1358.4 Ų58.413%0.13430%0.301CS..SBendtrans85-7.1-176.600000114.7Y104 Y105 P109Y104-G107 PolarHBondContact O-N 3.32Å; Y105-G107 PolarHBondContact O-N 3.23Å; G107-P109 WeakPolarHBondContact O-CD 3.49Å
108E80.4Confident84.1Confident88 Ų8857.6 Ų57.641%0.41130%0.298SS..  trans-103.6111.7176.3-71.4171.4-132.600110.9T106 S110 K111T106-E108 VanDerWaalsContact C-N 3.27Å; T106-E108 PolarHBondContact O-N 3.33Å; E108-S110 PolarHBondContact O-N 3.45Å; E108-S110 VanDerWaalsContact O-N 3.12Å; E108-K111 HydrophobicContact CB-CD 4.06Å; E108-K111 HydrophobicContact CB-CG 4.2Å; E108-K111 PolarHBondContact O-N 3.2Å; E108-K111 VanDerWaalsContact O-N 3.16Å; E108-K111 IonicContact OE1-NZ 2.71Å; E108-K111 PolarHBondContact OE1-NZ 2.95Å; E108-K111 WeakPolarHBondContact OE2-CD 3.5Å; E108-K111 WeakPolarHBondContact OE2-CE 3.2Å; E108-K111 IonicContact OE2-NZ 3.04Å; E108-K111 PolarHBondContact OE2-NZ 3.42Å
109P75.4Confident83.8Confident73 Ų7359.1 Ų59.147%0.47431%0.311SS..G310 helixtrans-60.8-24.6-179.6-25.735.1000114.2Y104 G107 K111 R112Y104-P109 HydrophobicContact CE1-CB 4.32Å; G107-P109 WeakPolarHBondContact O-CD 3.49Å; P109-K111 VanDerWaalsContact C-N 3.31Å; P109-K111 PolarHBondContact O-N 3.33Å; P109-R112 WeakPolarHBondContact O-CB 3.45Å; P109-R112 VanDerWaalsContact O-CD 3.25Å; P109-R112 WeakPolarHBondContact O-CD 3.46Å; P109-R112 WeakPolarHBondContact O-CG 3.24Å; P109-R112 PolarHBondContact O-N 2.85Å
110S78.6Confident83.8Confident82 Ų8261.8 Ų61.857%0.57332%0.324SS*.G310 helixtrans-66.3-30.9178.957.40000112.8E108 R112 S113E108-S110 PolarHBondContact O-N 3.45Å; E108-S110 VanDerWaalsContact O-N 3.12Å; S110-R112 PolarHBondContact O-N 3.48Å; S110-S113 PolarHBondContact O-N 3.37Å; S110-S113 PolarHBondContact O-OG 2.9Å
111K79.3Confident83.8Confident76 Ų7660.8 Ų60.833%0.3332%0.321SS..G310 helixtrans-69.7-2.4-179.8-73.7177.4174.1155.10113.8T106 E108 P109 S113 R114T106-K111 HydrophobicContact CG2-CD 4.15Å; T106-K111 VanDerWaalsContact OG1-CD 3.24Å; T106-K111 WeakPolarHBondContact OG1-CD 3.1Å; E108-K111 HydrophobicContact CB-CD 4.06Å; E108-K111 HydrophobicContact CB-CG 4.2Å; E108-K111 PolarHBondContact O-N 3.2Å; E108-K111 VanDerWaalsContact O-N 3.16Å; E108-K111 IonicContact OE1-NZ 2.71Å; E108-K111 PolarHBondContact OE1-NZ 2.95Å; E108-K111 WeakPolarHBondContact OE2-CD 3.5Å; E108-K111 WeakPolarHBondContact OE2-CE 3.2Å; E108-K111 IonicContact OE2-NZ 3.04Å; E108-K111 PolarHBondContact OE2-NZ 3.42Å; P109-K111 VanDerWaalsContact C-N 3.31Å; P109-K111 PolarHBondContact O-N 3.33Å; K111-S113 PolarHBondContact O-N 3.33Å; K111-R114 VanDerWaalsContact O-CG 3.32Å; K111-R114 WeakPolarHBondContact O-CG 2.97Å; K111-R114 PolarHBondContact O-N 3.16Å
112R74.4Confident83.9Confident132 Ų13262.1 Ų62.150%0.49833%0.328SS..G310 helixtrans-61.8-23.1171.478.1-174.8-178.2167.40.8114.1Y100 Y104 P109 S110 R114 G115Y100-R112 HydrophobicContact CD2-CB 3.92Å; Y100-R112 HydrophobicContact CE2-CB 3.72Å; Y100-R112 HydrophobicContact CE2-CG 4.26Å; Y104-R112 HydrophobicContact CD2-CB 3.68Å; Y104-R112 HydrophobicContact CE2-CB 3.3Å; Y104-R112 HydrophobicContact CE2-CG 4.14Å; Y104-R112 WeakPolarHBondContact OH-CD 3.33Å; P109-R112 WeakPolarHBondContact O-CB 3.45Å; P109-R112 VanDerWaalsContact O-CD 3.25Å; P109-R112 WeakPolarHBondContact O-CD 3.46Å; P109-R112 WeakPolarHBondContact O-CG 3.24Å; P109-R112 PolarHBondContact O-N 2.85Å; S110-R112 PolarHBondContact O-N 3.48Å; R112-R114 PolarHBondContact O-N 3.1Å; R112-R114 VanDerWaalsContact O-N 3.09Å; R112-G115 PolarHBondContact O-N 3.24Å
113S79.8Confident84.2Confident84 Ų8462.6 Ų62.659%0.58734%0.338SS*.G310 helixtrans-57.8-22.5179.357.90000113.2S110 K111 G115 A116S110-S113 PolarHBondContact O-N 3.37Å; S110-S113 PolarHBondContact O-OG 2.9Å; K111-S113 PolarHBondContact O-N 3.33Å; S113-G115 PolarHBondContact O-N 2.86Å; S113-G115 VanDerWaalsContact O-N 3.09Å; S113-A116 VanDerWaalsContact O-CB 3.24Å; S113-A116 WeakPolarHBondContact O-CB 3.41Å; S113-A116 PolarHBondContact O-N 3.44Å
114R80.3Confident84.4Confident148 Ų14863.8 Ų63.856%0.55835%0.35SS*.G310 helixtrans-56.5-23.9172.2-62.5175.873.9173.14.2113.1K111 R112K111-R114 VanDerWaalsContact O-CG 3.32Å; K111-R114 WeakPolarHBondContact O-CG 2.97Å; K111-R114 PolarHBondContact O-N 3.16Å; R112-R114 PolarHBondContact O-N 3.1Å; R112-R114 VanDerWaalsContact O-N 3.09Å
115G79.8Confident84.8Confident4 Ų463 Ų634%0.04135%0.347CS..G310 helixtrans-90.17.2175.900000115.6G96 R112 S113 L117 G118G96-G115 WeakPolarHBondContact O-CA 3.28Å; R112-G115 PolarHBondContact O-N 3.24Å; S113-G115 PolarHBondContact O-N 2.86Å; S113-G115 VanDerWaalsContact O-N 3.09Å; G115-L117 PolarHBondContact O-N 2.95Å; G115-L117 VanDerWaalsContact O-N 3.13Å; G115-G118 PolarHBondContact O-N 3.46Å
116A84.2Confident85.1Confident49 Ų4963 Ų6341%0.40535%0.351SS..Hα-helixtrans-55.9-31.5-176.900000113.3S113 G118 S119 I120S113-A116 VanDerWaalsContact O-CB 3.24Å; S113-A116 WeakPolarHBondContact O-CB 3.41Å; S113-A116 PolarHBondContact O-N 3.44Å; A116-G118 PolarHBondContact O-N 2.88Å; A116-S119 PolarHBondContact O-N 3.4Å; A116-S119 VanDerWaalsContact O-N 3.1Å; A116-I120 PolarHBondContact O-N 3.1Å; A116-I120 VanDerWaalsContact O-N 3.16Å
117L87.6Confident85.5Confident89 Ų8961.7 Ų61.747%0.46635%0.35SS..Hα-helixtrans-50.2-42.4171-174.786.9000111.9A92 G115 S119 I120 A121A92-L117 HydrophobicContact CB-CD2 4.47Å; G115-L117 PolarHBondContact O-N 2.95Å; G115-L117 VanDerWaalsContact O-N 3.13Å; L117-S119 PolarHBondContact O-N 3.46Å; L117-I120 PolarHBondContact O-N 3.09Å; L117-A121 WeakPolarHBondContact O-CB 3.35Å; L117-A121 PolarHBondContact O-N 3.05Å
118G86.6Confident86.2Confident2 Ų261.9 Ų61.92%0.02135%0.348CS..Hα-helixtrans-65.1-39.4-179.200000112.4G115 A116 A121 L122G115-G118 PolarHBondContact O-N 3.46Å; A116-G118 PolarHBondContact O-N 2.88Å; G118-A121 PolarHBondContact O-N 3.46Å; G118-L122 PolarHBondContact O-N 2.84Å
119S88.2Confident86.8Confident73 Ų7358.4 Ų58.451%0.5133%0.333SS..Hα-helixtrans-64.7-42.5176-58.10000111.9A116 L117 A121 L122 L123A116-S119 PolarHBondContact O-N 3.4Å; A116-S119 VanDerWaalsContact O-N 3.1Å; L117-S119 PolarHBondContact O-N 3.46Å; S119-A121 VanDerWaalsContact C-N 3.35Å; S119-L122 PolarHBondContact O-N 3.1Å; S119-L123 WeakPolarHBondContact O-CG 3.46Å; S119-L123 PolarHBondContact O-N 3.33Å
120I91.8Very high87.6Confident121 Ų12157.9 Ų57.962%0.62133%0.328SS*.Hα-helixtrans-63.4-43.7176.6-63168000110.3A116 L117 L122 L123 G124A116-I120 PolarHBondContact O-N 3.1Å; A116-I120 VanDerWaalsContact O-N 3.16Å; L117-I120 PolarHBondContact O-N 3.09Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 2.87Å; I120-L123 PolarHBondContact O-N 3.01Å; I120-G124 PolarHBondContact O-N 2.9Å
121A92.8Very high88.1Confident5 Ų557 Ų574%0.04132%0.321CS..Hα-helixtrans-62.6-39.2177.900000112.5L89 A92 W93 L117 G118 S119 G124 L125L89-A121 WeakPolarHBondContact O-CB 3.29Å; A92-A121 HydrophobicContact CB-CB 3.86Å; W93-A121 HydrophobicContact CB-CB 4.13Å; L117-A121 WeakPolarHBondContact O-CB 3.35Å; L117-A121 PolarHBondContact O-N 3.05Å; G118-A121 PolarHBondContact O-N 3.46Å; S119-A121 VanDerWaalsContact C-N 3.35Å; A121-G124 PolarHBondContact O-N 3.38Å; A121-L125 PolarHBondContact O-N 3.44Å
122L92.5Very high88.5Confident30 Ų3053.5 Ų53.516%0.15731%0.306CS..Hα-helixtrans-64.3-44.4174.7-17562000111.8V67 F71 G118 S119 I120 G124 L125 V126V67-L122 HydrophobicContact CG1-CD2 3.39Å; F71-L122 HydrophobicContact CB-CD1 4.18Å; F71-L122 HydrophobicContact CD2-CD1 4.35Å; G118-L122 PolarHBondContact O-N 2.84Å; S119-L122 PolarHBondContact O-N 3.1Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 2.87Å; L122-G124 PolarHBondContact O-N 3.38Å; L122-L125 WeakPolarHBondContact O-CB 3.44Å; L122-L125 PolarHBondContact O-N 3.16Å; L122-L125 VanDerWaalsContact O-N 3.08Å; L122-V126 WeakPolarHBondContact O-CG2 3.34Å; L122-V126 PolarHBondContact O-N 3.09Å
123L93.9Very high89.3Confident125 Ų12549.4 Ų49.465%0.65430%0.301SS*.Hα-helixtrans-60.9-37.3175.2-70.2174000111.4S119 I120 V126 G127S119-L123 WeakPolarHBondContact O-CG 3.46Å; S119-L123 PolarHBondContact O-N 3.33Å; I120-L123 PolarHBondContact O-N 3.01Å; L123-V126 PolarHBondContact O-N 3.02Å; L123-G127 PolarHBondContact O-N 2.96Å
124G93.3Very high89.8Confident25 Ų2549.3 Ų49.326%0.25829%0.29SS..Hα-helixtrans-58.2-45.7170.700000112.6I120 A121 L122 G127 T128I120-G124 PolarHBondContact O-N 2.9Å; A121-G124 PolarHBondContact O-N 3.38Å; L122-G124 PolarHBondContact O-N 3.38Å; G124-G127 CarbonylContact O-C 3.59Å; G124-G127 WeakPolarHBondContact O-CA 3.25Å; G124-G127 PolarHBondContact O-N 3.22Å; G124-G127 VanDerWaalsContact O-N 3.14Å; G124-T128 PolarHBondContact O-N 2.96Å
125L92.2Very high90.1Very high0 Ų045 Ų450%028%0.276CS..Hα-helixtrans-64.6-37.3177.2-84.1168000113F71 F74 L75 A86 L89 A121 L122 G127 T128 T129F71-L125 HydrophobicContact CD2-CD1 3.79Å; F71-L125 HydrophobicContact CE2-CD1 3.67Å; F74-L125 HydrophobicContact CB-CB 4.1Å; L75-L125 HydrophobicContact CD1-CD2 4.34Å; A86-L125 HydrophobicContact CB-CD2 3.97Å; L89-L125 HydrophobicContact CB-CD1 4.43Å; L89-L125 HydrophobicContact CB-CD2 4.2Å; L89-L125 HydrophobicContact CB-CG 3.82Å; L89-L125 HydrophobicContact CD1-CG 4.42Å; A121-L125 PolarHBondContact O-N 3.44Å; L122-L125 WeakPolarHBondContact O-CB 3.44Å; L122-L125 PolarHBondContact O-N 3.16Å; L122-L125 VanDerWaalsContact O-N 3.08Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-T128 PolarHBondContact O-N 3.05Å; L125-T128 PolarHBondContact O-OG1 3.13Å; L125-T129 PolarHBondContact O-N 2.96Å; L125-T129 PolarHBondContact O-OG1 3.21Å; L125-T129 VanDerWaalsContact O-OG1 3.08Å
126V94.9Very high90.3Very high45 Ų4550.7 Ų50.727%0.27330%0.302SS..Hα-helixtrans-62.2-46.1171.21770000109.3F74 L122 L123 T128 T129 V130F74-V126 HydrophobicContact CD1-CG2 4.4Å; F74-V126 HydrophobicContact CD2-CG2 3.7Å; F74-V126 HydrophobicContact CE1-CG1 4.43Å; F74-V126 HydrophobicContact CE1-CG2 4.3Å; F74-V126 HydrophobicContact CE2-CG2 3.61Å; F74-V126 HydrophobicContact CG-CG2 4.13Å; F74-V126 HydrophobicContact CZ-CG1 4.42Å; F74-V126 HydrophobicContact CZ-CG2 3.92Å; L122-V126 WeakPolarHBondContact O-CG2 3.34Å; L122-V126 PolarHBondContact O-N 3.09Å; L123-V126 PolarHBondContact O-N 3.02Å; V126-T128 PolarHBondContact O-N 3.29Å; V126-T129 WeakPolarHBondContact O-CB 3.34Å; V126-T129 PolarHBondContact O-N 2.93Å; V126-T129 VanDerWaalsContact O-N 3.13Å; V126-V130 HydrophobicContact CG1-CG2 4.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.13Å; V126-V130 PolarHBondContact O-N 3.25Å
127G92.9Very high90.7Very high32 Ų3253.2 Ų53.233%0.3331%0.307SS..Hα-helixtrans-57.3-44177.400000113.3L123 G124 L125 T129 V130 C131L123-G127 PolarHBondContact O-N 2.96Å; G124-G127 CarbonylContact O-C 3.59Å; G124-G127 WeakPolarHBondContact O-CA 3.25Å; G124-G127 PolarHBondContact O-N 3.22Å; G124-G127 VanDerWaalsContact O-N 3.14Å; L125-G127 VanDerWaalsContact C-N 3.31Å; G127-T129 VanDerWaalsContact C-N 3.29Å; G127-T129 PolarHBondContact O-N 3.09Å; G127-V130 PolarHBondContact O-N 2.78Å; G127-C131 WeakPolarHBondContact O-CB 3.24Å; G127-C131 PolarHBondContact O-N 3.24Å; G127-C131 PolarHBondContact O-SG 3.42Å
128T91.7Very high90.5Very high16 Ų1651.8 Ų51.810%0.09832%0.315CS..Hα-helixtrans-61.5-40176.759.20000111.5I85 L89 G124 L125 V126 C131 S132I85-T128 HydrophobicContact CG2-CG2 3.86Å; L89-T128 HydrophobicContact CD1-CG2 4.04Å; G124-T128 PolarHBondContact O-N 2.96Å; L125-T128 PolarHBondContact O-N 3.05Å; L125-T128 PolarHBondContact O-OG1 3.13Å; V126-T128 PolarHBondContact O-N 3.29Å; T128-C131 PolarHBondContact O-N 2.89Å; T128-S132 PolarHBondContact O-N 3.34Å; T128-S132 PolarHBondContact O-OG 3.33Å
129T92.1Very high90.5Very high16 Ų1660.5 Ų60.510%0.09835%0.347CS..Hα-helixtrans-68.1-41.4178.5-55.30000112F74 V77 L125 V126 G127 S132 A133F74-T129 HydrophobicContact CD1-CG2 3.92Å; F74-T129 WeakPolarHBondContact CD1-OG1 3.44Å; F74-T129 HydrophobicContact CE1-CG2 4.3Å; F74-T129 PolarHBondContact O-OG1 3.09Å; V77-T129 HydrophobicContact CB-CG2 4.41Å; V77-T129 HydrophobicContact CG1-CG2 3.93Å; L125-T129 PolarHBondContact O-N 2.96Å; L125-T129 PolarHBondContact O-OG1 3.21Å; L125-T129 VanDerWaalsContact O-OG1 3.08Å; V126-T129 WeakPolarHBondContact O-CB 3.34Å; V126-T129 PolarHBondContact O-N 2.93Å; V126-T129 VanDerWaalsContact O-N 3.13Å; G127-T129 VanDerWaalsContact C-N 3.29Å; G127-T129 PolarHBondContact O-N 3.09Å; T129-S132 WeakPolarHBondContact O-CB 3.32Å; T129-S132 PolarHBondContact O-N 3.3Å; T129-A133 PolarHBondContact O-N 2.95Å
130V92.4Very high89.9Confident61 Ų6160.3 Ų60.337%0.3734%0.343SS..Hα-helixtrans-63.9-42.5175.3172.70000111V126 G127 S132 A133 F134V126-V130 HydrophobicContact CG1-CG2 4.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.13Å; V126-V130 PolarHBondContact O-N 3.25Å; G127-V130 PolarHBondContact O-N 2.78Å; V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 3.31Å; V130-A133 WeakPolarHBondContact O-CB 3.21Å; V130-A133 PolarHBondContact O-N 3.48Å; V130-A133 VanDerWaalsContact O-N 3.15Å; V130-F134 HydrophobicContact CG1-CD2 4.02Å; V130-F134 HydrophobicContact CG1-CE1 4.18Å; V130-F134 HydrophobicContact CG1-CE2 3.48Å; V130-F134 VanDerWaalsContact CG1-CE2 3.48Å; V130-F134 HydrophobicContact CG1-CZ 3.57Å; V130-F134 WeakPolarHBondContact O-CG 3.42Å; V130-F134 PolarHBondContact O-N 3.45Å
131C88.9Confident88.5Confident63 Ų6364.1 Ų64.143%0.42636%0.355SS..Hα-helixtrans-59.6-43.1174.2-73.30000111.8G127 T128 A133 F134 Q135G127-C131 WeakPolarHBondContact O-CB 3.24Å; G127-C131 PolarHBondContact O-N 3.24Å; G127-C131 PolarHBondContact O-SG 3.42Å; T128-C131 PolarHBondContact O-N 2.89Å; C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.41Å; C131-F134 PolarHBondContact O-N 3.39Å; C131-Q135 WeakPolarHBondContact O-CG 3.49Å; C131-Q135 PolarHBondContact O-N 2.64Å
132S88.9Confident86.8Confident3 Ų368.1 Ų68.12%0.02138%0.383CS..Hα-helixtrans-61.7-41.1173.9-57.50000112Y81 T128 T129 V130 F134 Q135 H136Y81-S132 WeakPolarHBondContact CB-OG 3.45Å; Y81-S132 VanDerWaalsContact CD2-OG 3.28Å; Y81-S132 WeakPolarHBondContact CD2-OG 3.37Å; T128-S132 PolarHBondContact O-N 3.34Å; T128-S132 PolarHBondContact O-OG 3.33Å; T129-S132 WeakPolarHBondContact O-CB 3.32Å; T129-S132 PolarHBondContact O-N 3.3Å; V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 3.31Å; S132-F134 PolarHBondContact O-N 2.92Å; S132-Q135 PolarHBondContact O-N 3.33Å; S132-H136 PolarHBondContact O-CD2 3.3Å; S132-H136 PolarHBondContact O-N 3.25Å
133A90.7Very high84.9Confident46 Ų4670.5 Ų70.538%0.3841%0.414SS..Hα-helixtrans-61.5-43.9175.400000112T129 V130 C131 Q135 H136 L137T129-A133 PolarHBondContact O-N 2.95Å; V130-A133 WeakPolarHBondContact O-CB 3.21Å; V130-A133 PolarHBondContact O-N 3.48Å; V130-A133 VanDerWaalsContact O-N 3.15Å; C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.41Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.19Å; A133-H136 WeakPolarHBondContact O-CB 3.46Å; A133-H136 PolarHBondContact O-N 3.41Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.28Å
134F90.1Very high82.7Confident82 Ų8273.1 Ų73.136%0.3643%0.428SS..Hα-helixtrans-65.8-34.1176.7-65.8-23.1000113.5V130 C131 S132 L137 G138 W139 V140V130-F134 HydrophobicContact CG1-CD2 4.02Å; V130-F134 HydrophobicContact CG1-CE1 4.18Å; V130-F134 HydrophobicContact CG1-CE2 3.48Å; V130-F134 VanDerWaalsContact CG1-CE2 3.48Å; V130-F134 HydrophobicContact CG1-CZ 3.57Å; V130-F134 WeakPolarHBondContact O-CG 3.42Å; V130-F134 PolarHBondContact O-N 3.45Å; C131-F134 PolarHBondContact O-N 3.39Å; S132-F134 PolarHBondContact O-N 2.92Å; F134-L137 PolarHBondContact O-N 3.35Å; F134-G138 PolarHBondContact O-N 3.42Å; F134-W139 HydrophobicContact CB-CB 4.49Å; F134-W139 AromaticContact CD1-CE3 3.51Å; F134-W139 HydrophobicContact CD1-CE3 3.51Å; F134-W139 AromaticContact CD1-CZ3 3.93Å; F134-W139 HydrophobicContact CD1-CZ3 3.93Å; F134-W139 AromaticContact CE1-CE3 3.76Å; F134-W139 HydrophobicContact CE1-CE3 3.76Å; F134-W139 AromaticContact CE1-CZ3 3.79Å; F134-W139 HydrophobicContact CE1-CZ3 3.79Å; F134-W139 HydrophobicContact CG-CE3 4.41Å; F134-W139 PolarHBondContact O-N 3.02Å; F134-V140 HydrophobicContact CB-CB 4.42Å; F134-V140 HydrophobicContact CB-CG2 3.8Å; F134-V140 PolarHBondContact O-N 3.16Å
135Q85.9Confident80.3Confident59 Ų5975.1 Ų75.128%0.27645%0.448SS..Hα-helixtrans-63.9-42.4171.6-72.4167.811.900111C131 S132 A133 L137 G138C131-Q135 WeakPolarHBondContact O-CG 3.49Å; C131-Q135 PolarHBondContact O-N 2.64Å; S132-Q135 PolarHBondContact O-N 3.33Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.19Å; Q135-L137 PolarHBondContact O-N 3.38Å; Q135-G138 PolarHBondContact O-N 2.97Å; Q135-G138 VanDerWaalsContact O-N 3.14Å
136H85.4Confident77.8Confident123 Ų12381.6 Ų81.657%0.56949%0.494SS*.Hα-helixtrans-65.2-36.4176.9-92.6-84.4000113.9Y81 S132 A133 G138Y81-H136 AromaticContact CE1-CD2 3.77Å; Y81-H136 AromaticContact CE1-NE2 3.02Å; Y81-H136 WeakPolarHBondContact CE1-NE2 3Å; Y81-H136 AromaticContact CZ-CD2 3.6Å; Y81-H136 AromaticContact CZ-CE1 3.98Å; Y81-H136 AromaticContact CZ-NE2 2.99Å; Y81-H136 PolarHBondContact OH-CE1 3.05Å; Y81-H136 PolarHBondContact OH-NE2 3.43Å; S132-H136 PolarHBondContact O-CD2 3.3Å; S132-H136 PolarHBondContact O-N 3.25Å; A133-H136 WeakPolarHBondContact O-CB 3.46Å; A133-H136 PolarHBondContact O-N 3.41Å; H136-G138 PolarHBondContact O-N 3.06Å
137L91Very high75.2Confident101 Ų10182.6 Ų82.653%0.52951%0.513SS..THydrogen-bonded Turntrans-77.9-3.8176-65.3172.5000112.9A133 F134 Q135 W139A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.28Å; F134-L137 PolarHBondContact O-N 3.35Å; Q135-L137 PolarHBondContact O-N 3.38Å; L137-W139 HydrophobicContact CB-CD2 3.93Å; L137-W139 HydrophobicContact CB-CE3 4.49Å; L137-W139 HydrophobicContact CB-CG 4.03Å; L137-W139 HydrophobicContact CB-CZ2 4.49Å; L137-W139 HydrophobicContact CD1-CD2 4.19Å; L137-W139 HydrophobicContact CD1-CE3 4.02Å; L137-W139 HydrophobicContact CD1-CH2 3.78Å; L137-W139 HydrophobicContact CD1-CZ2 3.95Å; L137-W139 HydrophobicContact CD1-CZ3 3.82Å; L137-W139 VanDerWaalsContact O-CD1 3.29Å; L137-W139 PolarHBondContact O-N 2.95Å
138G84.6Confident72.6Confident60 Ų6086.4 Ų86.462%0.61954%0.535SS*.THydrogen-bonded Turntrans71.111.4-178.500000114.3F134 Q135 H136 V140F134-G138 PolarHBondContact O-N 3.42Å; Q135-G138 PolarHBondContact O-N 2.97Å; Q135-G138 VanDerWaalsContact O-N 3.14Å; H136-G138 PolarHBondContact O-N 3.06Å; G138-V140 VanDerWaalsContact C-N 3.31Å
139W85.4Confident70.1Confident185 Ų18595.3 Ų95.370%0.70157%0.572SS**SBendtrans-76.6-20.9-179.5-64.1-7.8000112.6F134 L137F134-W139 HydrophobicContact CB-CB 4.49Å; F134-W139 AromaticContact CD1-CE3 3.51Å; F134-W139 HydrophobicContact CD1-CE3 3.51Å; F134-W139 AromaticContact CD1-CZ3 3.93Å; F134-W139 HydrophobicContact CD1-CZ3 3.93Å; F134-W139 AromaticContact CE1-CE3 3.76Å; F134-W139 HydrophobicContact CE1-CE3 3.76Å; F134-W139 AromaticContact CE1-CZ3 3.79Å; F134-W139 HydrophobicContact CE1-CZ3 3.79Å; F134-W139 HydrophobicContact CG-CE3 4.41Å; F134-W139 PolarHBondContact O-N 3.02Å; L137-W139 HydrophobicContact CB-CD2 3.93Å; L137-W139 HydrophobicContact CB-CE3 4.49Å; L137-W139 HydrophobicContact CB-CG 4.03Å; L137-W139 HydrophobicContact CB-CZ2 4.49Å; L137-W139 HydrophobicContact CD1-CD2 4.19Å; L137-W139 HydrophobicContact CD1-CE3 4.02Å; L137-W139 HydrophobicContact CD1-CH2 3.78Å; L137-W139 HydrophobicContact CD1-CZ2 3.95Å; L137-W139 HydrophobicContact CD1-CZ3 3.82Å; L137-W139 VanDerWaalsContact O-CD1 3.29Å; L137-W139 PolarHBondContact O-N 2.95Å
140V75.8Confident67.6Low69 Ų69100 Ų10042%0.41860%0.604SS.*SBendtrans-123.5123.1176.6176.10000108.7F134 G138 S142F134-V140 HydrophobicContact CB-CB 4.42Å; F134-V140 HydrophobicContact CB-CG2 3.8Å; F134-V140 PolarHBondContact O-N 3.16Å; G138-V140 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.29Å
141K62.1Low65.1Low200 Ų200102.3 Ų102.387%0.8762%0.622SS**  trans-70.8127.9171-76.6-175.8177.5179.70109.3G143K141-G143 PolarHBondContact O-N 3.25Å
142S57.1Low62.8Low90 Ų90111.4 Ų111.463%0.62966%0.657SS**  trans-60.693.5170.6-62.70000110.2V140 L144V140-S142 PolarHBondContact O-N 3.29Å; S142-L144 PolarHBondContact O-N 3.12Å
143G52.9Low61.5Low80 Ų80116.8 Ų116.883%0.82569%0.689SS**SBendtrans-73.830.1178.400000114.8K141K141-G143 PolarHBondContact O-N 3.25Å
144L49.2Very low60Low179 Ų179120.5 Ų120.594%0.93771%0.706SS**  trans-133.557.3178.3-93.5151000109.8S142S142-L144 PolarHBondContact O-N 3.12Å
145G41.2Very low58.3Low67 Ų67122.7 Ų122.769%0.69173%0.725SS**  trans-157.943.1177.900000112.2G147G145-G147 PolarHBondContact O-N 3.47Å
146S39.8Very low56.7Low137 Ų137126.4 Ų126.496%0.95875%0.751SS**  trans-80.380.3155.3-1710000107.2
147G40.2Very low54.9Low65 Ų65126.6 Ų126.667%0.6776%0.763SS**  trans-124.697.317600000109G145G145-G147 PolarHBondContact O-N 3.47Å
148S39.6Very low52.5Low112 Ų112128.3 Ų128.378%0.78378%0.778SS**  trans54.598.2161.6-59.60000117.8C150S148-C150 PolarHBondContact O-N 3.04Å
149K39.5Very low50.2Low204 Ų204133.2 Ų133.289%0.88779%0.79SS**  trans-58.996.2141-70.9-176.9177.6-1780107.2C151K149-C151 PolarHBondContact O-N 2.71Å
150C39.7Very low47.5Very low113 Ų113129.2 Ų129.276%0.76480%0.796SS**  trans-81.496.2163.4-151.30000106S148S148-C150 PolarHBondContact O-N 3.04Å
151C39.7Very low45.1Very low111 Ų111134.3 Ų134.375%0.7583%0.828SS**  trans-78.4118.5160.7-65.70000106.9K149K149-C151 PolarHBondContact O-N 2.71Å
152H40.5Very low43.6Very low253 Ų253128.3 Ų128.3100%1.17182%0.824SS**  trans-139.30152.1-98.9-66.7000107.7

Retrieved 152 of 152 residues in 91.6 ms (Link to these results)

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