A0A096MQ98_PAPAN Loading...

Glutathione S-transferase 3, mitochondrial

AlphaFold DB (A0A2J8SL57), UniProt , Accession A0A096MQ98, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 152 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44.4Very low81.2Confident237 Ų23797.2 Ų97.2100%1.16753%0.531SS*.  0126.50-133.6179.4-78.500106.9V3M1-V3 PolarHBondContact O-N 3Å
2A53.3Low82.5Confident87 Ų8798.6 Ų98.672%0.71954%0.536SS*.  trans-69.2130.3177.900000109.7L4A2-L4 VanDerWaalsContact C-N 3.27Å; A2-L4 PolarHBondContact O-N 3.49Å
3V75.3Confident83.6Confident150 Ų150100.1 Ų100.191%0.90954%0.542SS*.  trans-84.368.5-177.7-172.10000109.4M1M1-V3 PolarHBondContact O-N 3Å
4L80.1Confident84.6Confident87 Ų8793.3 Ų93.346%0.45551%0.506SS..  trans-127.1147.2176.7-78.8161.6000110.1A2 Y8 V80A2-L4 VanDerWaalsContact C-N 3.27Å; A2-L4 PolarHBondContact O-N 3.49Å; L4-Y8 HydrophobicContact CB-CG 4.44Å; L4-Y8 HydrophobicContact CD1-CD1 3.82Å; L4-Y8 HydrophobicContact CD1-CE1 3.98Å; L4-Y8 HydrophobicContact CD1-CG 4.33Å; L4-Y8 HydrophobicContact CD2-CD1 4.27Å; L4-Y8 HydrophobicContact CD2-CD2 4Å; L4-Y8 HydrophobicContact CD2-CE2 4.29Å; L4-Y8 HydrophobicContact CD2-CG 3.99Å; L4-Y8 HydrophobicContact CG-CD1 4.46Å; L4-Y8 HydrophobicContact CG-CG 4.49Å; L4-V80 HydrophobicContact CD2-CG2 4.47Å
5S82.4Confident85.5Confident66 Ų6688.2 Ų88.246%0.46248%0.484SS..  trans-57.4144.5173.6173.90000110.4E7 Y8S5-E7 PolarHBondContact O-N 3.04Å; S5-E7 PolarHBondContact OG-N 3.32Å; S5-Y8 WeakPolarHBondContact O-CB 2.95Å; S5-Y8 PolarHBondContact O-N 3.26Å
6K87.8Confident86.3Confident208 Ų20886.2 Ų86.290%0.90448%0.482SS*.THydrogen-bonded Turntrans-51.8-32.3173.8-69-179.1178.7178.90112Y8 G9K6-Y8 PolarHBondContact O-N 3.33Å; K6-G9 PolarHBondContact O-N 3.05Å
7E90.8Very high87Confident56 Ų5683.2 Ų83.226%0.26247%0.471SS..THydrogen-bonded Turntrans-70.5-20.4-178.9-52.3-168.7153.300113.6S5 G9 F10 P83 R84S5-E7 PolarHBondContact O-N 3.04Å; S5-E7 PolarHBondContact OG-N 3.32Å; E7-G9 PolarHBondContact O-N 3.3Å; E7-G9 VanDerWaalsContact O-N 3.14Å; E7-F10 HydrophobicContact CB-CD2 4.3Å; E7-F10 WeakPolarHBondContact O-CB 3.2Å; E7-F10 VanDerWaalsContact O-CD2 3.23Å; E7-F10 WeakPolarHBondContact O-CD2 3.35Å; E7-F10 PolarHBondContact O-N 3.39Å; E7-P83 HydrophobicContact CB-CB 4.02Å; E7-P83 HydrophobicContact CB-CG 3.77Å; E7-R84 IonicContact OE1-CZ 3.38Å; E7-R84 IonicContact OE1-NE 3.12Å; E7-R84 PolarHBondContact OE1-NE 2.79Å; E7-R84 IonicContact OE1-NH2 2.6Å; E7-R84 PolarHBondContact OE1-NH2 3.2Å; E7-R84 WeakPolarHBondContact OE2-CG 3.49Å; E7-R84 IonicContact OE2-CZ 3.07Å; E7-R84 IonicContact OE2-NE 2.84Å; E7-R84 PolarHBondContact OE2-NE 2.97Å; E7-R84 VanDerWaalsContact OE2-NE 3.07Å
8Y93.1Very high87.6Confident29 Ų2978.6 Ų78.611%0.11445%0.445CS..Hα-helixtrans-62.7-18.4173.9-163.1-93.2000111.8L4 S5 K6 F10 V11 L12 A76 G79 V80L4-Y8 HydrophobicContact CB-CG 4.44Å; L4-Y8 HydrophobicContact CD1-CD1 3.82Å; L4-Y8 HydrophobicContact CD1-CE1 3.98Å; L4-Y8 HydrophobicContact CD1-CG 4.33Å; L4-Y8 HydrophobicContact CD2-CD1 4.27Å; L4-Y8 HydrophobicContact CD2-CD2 4Å; L4-Y8 HydrophobicContact CD2-CE2 4.29Å; L4-Y8 HydrophobicContact CD2-CG 3.99Å; L4-Y8 HydrophobicContact CG-CD1 4.46Å; L4-Y8 HydrophobicContact CG-CG 4.49Å; S5-Y8 WeakPolarHBondContact O-CB 2.95Å; S5-Y8 PolarHBondContact O-N 3.26Å; K6-Y8 PolarHBondContact O-N 3.33Å; Y8-F10 PolarHBondContact O-N 2.93Å; Y8-V11 HydrophobicContact CD1-CB 4.48Å; Y8-V11 HydrophobicContact CD2-CB 4.23Å; Y8-V11 HydrophobicContact CD2-CG2 3.97Å; Y8-V11 HydrophobicContact CE1-CB 4.45Å; Y8-V11 HydrophobicContact CE2-CB 4.18Å; Y8-V11 HydrophobicContact CE2-CG1 4.11Å; Y8-V11 HydrophobicContact CE2-CG2 4.17Å; Y8-V11 HydrophobicContact CG-CB 4.38Å; Y8-V11 HydrophobicContact CG-CG2 4.4Å; Y8-V11 VanDerWaalsContact O-CB 3.3Å; Y8-V11 WeakPolarHBondContact O-CB 3.41Å; Y8-V11 PolarHBondContact O-N 3.33Å; Y8-L12 HydrophobicContact CD1-CD2 4.36Å; Y8-L12 HydrophobicContact CD1-CG 4.13Å; Y8-L12 HydrophobicContact CE1-CD2 3.92Å; Y8-L12 HydrophobicContact CE1-CG 4.18Å; Y8-L12 PolarHBondContact O-N 3.18Å; Y8-A76 PolarHBondContact OH-O 3.45Å; Y8-A76 VanDerWaalsContact OH-O 3.09Å; Y8-G79 VanDerWaalsContact CD2-O 3.29Å; Y8-G79 WeakPolarHBondContact CD2-O 3.36Å; Y8-G79 VanDerWaalsContact CE2-C 3.43Å; Y8-V80 HydrophobicContact CE2-CG2 3.91Å
9G93.6Very high88.1Confident31 Ų3181.5 Ų81.532%0.3245%0.452SS..Hα-helixtrans-53.9-33.6168.200000113.4K6 E7 V11 L12 L13K6-G9 PolarHBondContact O-N 3.05Å; E7-G9 PolarHBondContact O-N 3.3Å; E7-G9 VanDerWaalsContact O-N 3.14Å; G9-V11 VanDerWaalsContact C-N 3.31Å; G9-V11 PolarHBondContact O-N 3.5Å; G9-L12 PolarHBondContact O-N 3.45Å; G9-L13 WeakPolarHBondContact O-CG 3.36Å; G9-L13 PolarHBondContact O-N 3.12Å
10F95.8Very high88.6Confident114 Ų11483.3 Ų83.350%0.546%0.46SS..Hα-helixtrans-65.9-34.7175-63.3-58.6000112.5E7 Y8 L13 T14 S87E7-F10 HydrophobicContact CB-CD2 4.3Å; E7-F10 WeakPolarHBondContact O-CB 3.2Å; E7-F10 VanDerWaalsContact O-CD2 3.23Å; E7-F10 WeakPolarHBondContact O-CD2 3.35Å; E7-F10 PolarHBondContact O-N 3.39Å; Y8-F10 PolarHBondContact O-N 2.93Å; F10-L13 PolarHBondContact O-N 3.23Å; F10-T14 WeakPolarHBondContact O-CB 3.47Å; F10-T14 PolarHBondContact O-N 3.47Å; F10-T14 PolarHBondContact O-OG1 3.42Å; F10-S87 VanDerWaalsContact CB-OG 3.25Å; F10-S87 WeakPolarHBondContact CB-OG 3.41Å; F10-S87 PolarHBondContact O-OG 3.16Å
11V96.8Very high89Confident4 Ų479.8 Ų79.82%0.02444%0.44CS..Hα-helixtrans-66.4-43.3177.9-177.20000109.3Y8 G9 T14 G15 L75 P83 S87Y8-V11 HydrophobicContact CD1-CB 4.48Å; Y8-V11 HydrophobicContact CD2-CB 4.23Å; Y8-V11 HydrophobicContact CD2-CG2 3.97Å; Y8-V11 HydrophobicContact CE1-CB 4.45Å; Y8-V11 HydrophobicContact CE2-CB 4.18Å; Y8-V11 HydrophobicContact CE2-CG1 4.11Å; Y8-V11 HydrophobicContact CE2-CG2 4.17Å; Y8-V11 HydrophobicContact CG-CB 4.38Å; Y8-V11 HydrophobicContact CG-CG2 4.4Å; Y8-V11 VanDerWaalsContact O-CB 3.3Å; Y8-V11 WeakPolarHBondContact O-CB 3.41Å; Y8-V11 PolarHBondContact O-N 3.33Å; G9-V11 VanDerWaalsContact C-N 3.31Å; G9-V11 PolarHBondContact O-N 3.5Å; V11-T14 WeakPolarHBondContact O-CB 3.36Å; V11-T14 PolarHBondContact O-N 3.49Å; V11-G15 PolarHBondContact O-N 2.99Å; V11-L75 HydrophobicContact CG1-CD1 4Å; V11-L75 HydrophobicContact CG1-CG 3.83Å; V11-L75 WeakPolarHBondContact CG1-O 3.29Å; V11-P83 HydrophobicContact CG2-CB 3.93Å; V11-S87 WeakPolarHBondContact CA-OG 3.47Å; V11-S87 WeakPolarHBondContact CG2-OG 3.45Å; V11-S87 PolarHBondContact N-OG 2.95Å; V11-S87 VanDerWaalsContact N-OG 3.11Å
12L96.6Very high91.6Very high114 Ų11469.1 Ų69.160%0.59739%0.389SS*.Hα-helixtrans-63.6-45.1176.2-61.8-179.9000112.2Y8 G9 T14 G15 A16Y8-L12 HydrophobicContact CD1-CD2 4.36Å; Y8-L12 HydrophobicContact CD1-CG 4.13Å; Y8-L12 HydrophobicContact CE1-CD2 3.92Å; Y8-L12 HydrophobicContact CE1-CG 4.18Å; Y8-L12 PolarHBondContact O-N 3.18Å; G9-L12 PolarHBondContact O-N 3.45Å; L12-T14 VanDerWaalsContact C-N 3.31Å; L12-T14 PolarHBondContact O-N 3.49Å; L12-G15 PolarHBondContact O-N 3.01Å; L12-A16 PolarHBondContact O-N 3.32Å
13L97.4Very high93.7Very high118 Ų11866.7 Ų66.762%0.61837%0.368SS*.Hα-helixtrans-61.7-40.9175.6-72.1174.2000111.6G9 F10 G15 A16 A17G9-L13 WeakPolarHBondContact O-CG 3.36Å; G9-L13 PolarHBondContact O-N 3.12Å; F10-L13 PolarHBondContact O-N 3.23Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 3.35Å; L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.38Å
14T97.7Very high94.7Very high5 Ų562.7 Ų62.73%0.03134%0.34CS..Hα-helixtrans-62.9-42.3174.8-56.30000111.1F10 V11 L12 A17 S18 L75 L91 I94F10-T14 WeakPolarHBondContact O-CB 3.47Å; F10-T14 PolarHBondContact O-N 3.47Å; F10-T14 PolarHBondContact O-OG1 3.42Å; V11-T14 WeakPolarHBondContact O-CB 3.36Å; V11-T14 PolarHBondContact O-N 3.49Å; L12-T14 VanDerWaalsContact C-N 3.31Å; L12-T14 PolarHBondContact O-N 3.49Å; T14-A17 PolarHBondContact O-N 3.33Å; T14-S18 WeakPolarHBondContact O-CB 3.29Å; T14-S18 PolarHBondContact O-N 3Å; T14-L75 HydrophobicContact CG2-CD1 4.1Å; T14-L75 HydrophobicContact CG2-CD2 4.01Å; T14-L91 HydrophobicContact CG2-CD2 4.5Å; T14-L91 HydrophobicContact CG2-CG 4.38Å; T14-I94 HydrophobicContact CG2-CD1 4.13Å
15G97.4Very high95.5Very high17 Ų1758.6 Ų58.618%0.17532%0.318CS..Hα-helixtrans-58.2-49.2173.100000112.2V11 L12 L13 A17 S18 F19V11-G15 PolarHBondContact O-N 2.99Å; L12-G15 PolarHBondContact O-N 3.01Å; L13-G15 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 3.43Å; G15-S18 WeakPolarHBondContact O-CB 3.21Å; G15-S18 PolarHBondContact O-N 2.9Å; G15-S18 PolarHBondContact O-OG 3.37Å; G15-F19 PolarHBondContact O-N 2.99Å; G15-F19 VanDerWaalsContact O-N 3.17Å
16A97.9Very high96.3Very high56 Ų5657 Ų5746%0.46331%0.309SS..Hα-helixtrans-62.1-43.4176.700000112.4L12 L13 S18 F19 I20L12-A16 PolarHBondContact O-N 3.32Å; L13-A16 PolarHBondContact O-N 3.35Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.2Å; A16-F19 WeakPolarHBondContact O-CB 3.31Å; A16-F19 PolarHBondContact O-N 2.91Å; A16-F19 VanDerWaalsContact O-N 3.16Å; A16-I20 PolarHBondContact O-N 3.09Å; A16-I20 VanDerWaalsContact O-N 3.16Å
17A98Very high96.7Very high35 Ų3551.3 Ų51.329%0.28929%0.288SS..Hα-helixtrans-61-37.9175.700000112L13 T14 G15 F19 I20 M21 I94L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.38Å; T14-A17 PolarHBondContact O-N 3.33Å; G15-A17 PolarHBondContact O-N 3.43Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 3.43Å; A17-I20 PolarHBondContact O-N 3.2Å; A17-M21 PolarHBondContact O-N 3.46Å; A17-I94 HydrophobicContact CB-CD1 4.01Å
18S97.6Very high97Very high0 Ų050 Ų500%028%0.282CS..Hα-helixtrans-64.7-35.8176.680.50000112.4T14 G15 A16 M21 V22 Y68T14-S18 WeakPolarHBondContact O-CB 3.29Å; T14-S18 PolarHBondContact O-N 3Å; G15-S18 WeakPolarHBondContact O-CB 3.21Å; G15-S18 PolarHBondContact O-N 2.9Å; G15-S18 PolarHBondContact O-OG 3.37Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.2Å; S18-M21 WeakPolarHBondContact O-CB 3.33Å; S18-M21 PolarHBondContact O-N 3.44Å; S18-V22 WeakPolarHBondContact O-CG2 3.3Å; S18-V22 PolarHBondContact O-N 2.88Å; S18-Y68 VanDerWaalsContact OG-CE2 3.28Å; S18-Y68 WeakPolarHBondContact OG-CE2 3.34Å; S18-Y68 PolarHBondContact OG-OH 2.88Å
19F97.6Very high97.2Very high134 Ų13449.2 Ų49.259%0.58828%0.28SS*.Hα-helixtrans-65.4-43.4175.2177.1-98.4000111.3G15 A16 A17 M21 V22 A23 Y68G15-F19 PolarHBondContact O-N 2.99Å; G15-F19 VanDerWaalsContact O-N 3.17Å; A16-F19 WeakPolarHBondContact O-CB 3.31Å; A16-F19 PolarHBondContact O-N 2.91Å; A16-F19 VanDerWaalsContact O-N 3.16Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 3.43Å; F19-M21 VanDerWaalsContact C-N 3.26Å; F19-M21 PolarHBondContact O-N 2.98Å; F19-V22 PolarHBondContact O-N 3.33Å; F19-A23 WeakPolarHBondContact O-CB 3.23Å; F19-A23 PolarHBondContact O-N 3.45Å; F19-Y68 WeakPolarHBondContact CA-OH 3.46Å; F19-Y68 PolarHBondContact N-OH 3.01Å
20I98.1Very high97.3Very high118 Ų11850.1 Ų50.161%0.60528%0.282SS*.Hα-helixtrans-58.4-41.1174.5-64.3170.5000110.7A16 A17 A23 H24A16-I20 PolarHBondContact O-N 3.09Å; A16-I20 VanDerWaalsContact O-N 3.16Å; A17-I20 PolarHBondContact O-N 3.2Å; I20-A23 PolarHBondContact O-N 3.21Å; I20-H24 WeakPolarHBondContact O-CB 3.49Å; I20-H24 PolarHBondContact O-N 2.98Å
21M97.6Very high97.3Very high9 Ų951 Ų514%0.04429%0.286CS..Hα-helixtrans-61.9-47.5175.7177.4-80-63.300112.1A17 S18 F19 A23 H24 L25 T64 W93 I94 R97 V98A17-M21 PolarHBondContact O-N 3.46Å; S18-M21 WeakPolarHBondContact O-CB 3.33Å; S18-M21 PolarHBondContact O-N 3.44Å; F19-M21 VanDerWaalsContact C-N 3.26Å; F19-M21 PolarHBondContact O-N 2.98Å; M21-A23 VanDerWaalsContact C-N 3.33Å; M21-A23 PolarHBondContact O-N 3.14Å; M21-H24 WeakPolarHBondContact O-CB 3.41Å; M21-H24 PolarHBondContact O-N 2.6Å; M21-L25 HydrophobicContact CG-CD1 4.37Å; M21-L25 WeakPolarHBondContact O-CD1 3.5Å; M21-L25 PolarHBondContact O-N 3.31Å; M21-L25 VanDerWaalsContact O-N 3.08Å; M21-L25 HydrophobicContact SD-CD1 3.95Å; M21-L25 HydrophobicContact SD-CD2 4.17Å; M21-T64 HydrophobicContact CE-CG2 3.88Å; M21-T64 HydrophobicContact SD-CG2 4.06Å; M21-W93 HydrophobicContact CE-CE3 4.29Å; M21-W93 HydrophobicContact CE-CH2 3.87Å; M21-W93 HydrophobicContact CE-CZ3 3.43Å; M21-W93 VanDerWaalsContact CE-CZ3 3.43Å; M21-I94 HydrophobicContact CB-CG2 3.99Å; M21-I94 HydrophobicContact CG-CG2 4.11Å; M21-R97 HydrophobicContact CE-CB 4Å; M21-R97 HydrophobicContact CE-CG 4.27Å; M21-R97 HydrophobicContact SD-CB 4Å; M21-V98 HydrophobicContact CG-CG2 3.79Å
22V97.9Very high97.3Very high14 Ų1451.2 Ų51.29%0.08529%0.288CS..Hα-helixtrans-61.1-43.5177.1174.60000111S18 F19 H24 L25 A26 T64 L65 Y68S18-V22 WeakPolarHBondContact O-CG2 3.3Å; S18-V22 PolarHBondContact O-N 2.88Å; F19-V22 PolarHBondContact O-N 3.33Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 PolarHBondContact O-N 3.19Å; V22-L25 PolarHBondContact O-N 2.97Å; V22-A26 PolarHBondContact O-N 3.11Å; V22-T64 HydrophobicContact CG2-CG2 4.25Å; V22-L65 HydrophobicContact CG1-CD2 3.66Å; V22-Y68 HydrophobicContact CG2-CD1 4.13Å; V22-Y68 HydrophobicContact CG2-CD2 3.97Å; V22-Y68 HydrophobicContact CG2-CE1 4.09Å; V22-Y68 HydrophobicContact CG2-CE2 3.94Å; V22-Y68 HydrophobicContact CG2-CG 4.07Å
23A97.9Very high97.2Very high35 Ų3546.7 Ų46.729%0.28926%0.263SS..Hα-helixtrans-60.6-40.8176.100000112.2F19 I20 M21 L25 A26 I27F19-A23 WeakPolarHBondContact O-CB 3.23Å; F19-A23 PolarHBondContact O-N 3.45Å; I20-A23 PolarHBondContact O-N 3.21Å; M21-A23 VanDerWaalsContact C-N 3.33Å; M21-A23 PolarHBondContact O-N 3.14Å; A23-L25 PolarHBondContact O-N 3.22Å; A23-A26 PolarHBondContact O-N 3.3Å; A23-I27 VanDerWaalsContact O-CG1 3.3Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 3.35Å
24H97.7Very high97.1Very high66 Ų6649.5 Ų49.531%0.30627%0.27SS..Hα-helixtrans-59.5-43.9174175.367.8000112.1I20 M21 V22 I27 N28 Y102I20-H24 WeakPolarHBondContact O-CB 3.49Å; I20-H24 PolarHBondContact O-N 2.98Å; M21-H24 WeakPolarHBondContact O-CB 3.41Å; M21-H24 PolarHBondContact O-N 2.6Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 PolarHBondContact O-N 3.19Å; H24-I27 PolarHBondContact O-N 3.48Å; H24-N28 PolarHBondContact CE1-ND2 3.43Å; H24-N28 VanDerWaalsContact CE1-ND2 3.29Å; H24-N28 PolarHBondContact NE2-ND2 2.84Å; H24-N28 PolarHBondContact O-N 3.43Å; H24-N28 PolarHBondContact O-ND2 3.07Å; H24-Y102 AromaticContact NE2-CZ 3.9Å; H24-Y102 PolarHBondContact NE2-OH 2.93Å; H24-Y102 VanDerWaalsContact NE2-OH 3.09Å
25L96.9Very high96.9Very high1 Ų156.5 Ų56.51%0.00530%0.3CS..Hα-helixtrans-63.5-42.9175.9-88.360.6000111.2M21 V22 A23 I27 N28 V29 H61 T64 A101M21-L25 HydrophobicContact CG-CD1 4.37Å; M21-L25 WeakPolarHBondContact O-CD1 3.5Å; M21-L25 PolarHBondContact O-N 3.31Å; M21-L25 VanDerWaalsContact O-N 3.08Å; M21-L25 HydrophobicContact SD-CD1 3.95Å; M21-L25 HydrophobicContact SD-CD2 4.17Å; V22-L25 PolarHBondContact O-N 2.97Å; A23-L25 PolarHBondContact O-N 3.22Å; L25-I27 VanDerWaalsContact C-N 3.35Å; L25-I27 PolarHBondContact O-N 3.31Å; L25-N28 PolarHBondContact O-N 2.93Å; L25-N28 VanDerWaalsContact O-N 3.16Å; L25-V29 WeakPolarHBondContact O-CG2 3.4Å; L25-V29 PolarHBondContact O-N 2.94Å; L25-H61 HydrophobicContact CB-CB 4.22Å; L25-T64 HydrophobicContact CD2-CG2 4.2Å; L25-T64 WeakPolarHBondContact CD2-OG1 3.45Å; L25-A101 HydrophobicContact CD1-CB 4.23Å; L25-A101 HydrophobicContact CD2-CB 4.06Å; L25-A101 HydrophobicContact CG-CB 4.11Å
26A97.3Very high96.7Very high33 Ų3357.2 Ų57.227%0.27330%0.298SS..Hα-helixtrans-61.1-40.1175.900000113V22 A23 N28 V29 S30V22-A26 PolarHBondContact O-N 3.11Å; A23-A26 PolarHBondContact O-N 3.3Å; A26-N28 VanDerWaalsContact C-N 3.34Å; A26-V29 PolarHBondContact O-N 3.16Å; A26-S30 PolarHBondContact O-N 3.3Å; A26-S30 PolarHBondContact O-OG 3.48Å
27I97.8Very high96.5Very high88 Ų8863.5 Ų63.545%0.45131%0.314SS..Hα-helixtrans-63.4-41.5174.7-69.9164.5000110.5A23 H24 L25 S30 K31A23-I27 VanDerWaalsContact O-CG1 3.3Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 3.35Å; H24-I27 PolarHBondContact O-N 3.48Å; L25-I27 VanDerWaalsContact C-N 3.35Å; L25-I27 PolarHBondContact O-N 3.31Å; I27-S30 WeakPolarHBondContact O-CB 3.45Å; I27-S30 PolarHBondContact O-N 2.95Å; I27-K31 HydrophobicContact CG2-CD 4.19Å; I27-K31 HydrophobicContact CG2-CG 4.46Å; I27-K31 WeakPolarHBondContact O-CG 3.44Å; I27-K31 PolarHBondContact O-N 2.9Å
28N96.4Very high96.3Very high29 Ų2962.4 Ų62.416%0.15530%0.304CS..Hα-helixtrans-65.1-40.7176.9-73.5-55.6000112.4H24 L25 A26 S30 K31 A32 Y105H24-N28 PolarHBondContact CE1-ND2 3.43Å; H24-N28 VanDerWaalsContact CE1-ND2 3.29Å; H24-N28 PolarHBondContact NE2-ND2 2.84Å; H24-N28 PolarHBondContact O-N 3.43Å; H24-N28 PolarHBondContact O-ND2 3.07Å; L25-N28 PolarHBondContact O-N 2.93Å; L25-N28 VanDerWaalsContact O-N 3.16Å; A26-N28 VanDerWaalsContact C-N 3.34Å; N28-S30 VanDerWaalsContact C-N 3.29Å; N28-S30 PolarHBondContact O-N 3.28Å; N28-K31 PolarHBondContact O-N 3.45Å; N28-A32 VanDerWaalsContact O-CB 3.32Å; N28-A32 WeakPolarHBondContact O-CB 3.23Å; N28-A32 PolarHBondContact O-N 2.93Å; N28-Y105 HydrophobicContact CB-CE2 4.07Å; N28-Y105 WeakPolarHBondContact CB-OH 3.47Å
29V96.8Very high96.1Very high12 Ų1269.9 Ų69.97%0.07334%0.339CS..Hα-helixtrans-57.9-44.6170.8169.90000110.7L25 A26 K31 A32 R33 I57 H61L25-V29 WeakPolarHBondContact O-CG2 3.4Å; L25-V29 PolarHBondContact O-N 2.94Å; A26-V29 PolarHBondContact O-N 3.16Å; V29-K31 PolarHBondContact O-N 3.01Å; V29-A32 PolarHBondContact O-N 2.88Å; V29-R33 WeakPolarHBondContact O-CB 3.38Å; V29-R33 PolarHBondContact O-N 3.38Å; V29-I57 HydrophobicContact CG2-CG2 4.06Å; V29-H61 HydrophobicContact CG2-CB 3.61Å
30S96.5Very high95.8Very high51 Ų5171.5 Ų71.536%0.35734%0.342SS..Hα-helixtrans-65.4-39.9-179.6-57.30000112.2A26 I27 N28 K34A26-S30 PolarHBondContact O-N 3.3Å; A26-S30 PolarHBondContact O-OG 3.48Å; I27-S30 WeakPolarHBondContact O-CB 3.45Å; I27-S30 PolarHBondContact O-N 2.95Å; N28-S30 VanDerWaalsContact C-N 3.29Å; N28-S30 PolarHBondContact O-N 3.28Å; S30-K34 PolarHBondContact O-N 2.94Å
31K96.4Very high95.6Very high133 Ų13371.8 Ų71.858%0.57835%0.352SS*.Hα-helixtrans-64.1-45172.7-72.4174.9179.9177.90111.3I27 N28 V29 R33 K34 K35I27-K31 HydrophobicContact CG2-CD 4.19Å; I27-K31 HydrophobicContact CG2-CG 4.46Å; I27-K31 WeakPolarHBondContact O-CG 3.44Å; I27-K31 PolarHBondContact O-N 2.9Å; N28-K31 PolarHBondContact O-N 3.45Å; V29-K31 PolarHBondContact O-N 3.01Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.46Å; K31-K34 PolarHBondContact O-N 2.99Å; K31-K35 PolarHBondContact O-N 3.28Å
32A94.9Very high95.5Very high7 Ų774.7 Ų74.76%0.05837%0.37CS..Hα-helixtrans-63.1-41.3178.100000111.4N28 V29 K34 K35 Y36 F54 I57N28-A32 VanDerWaalsContact O-CB 3.32Å; N28-A32 WeakPolarHBondContact O-CB 3.23Å; N28-A32 PolarHBondContact O-N 2.93Å; V29-A32 PolarHBondContact O-N 2.88Å; A32-K34 VanDerWaalsContact C-N 3.31Å; A32-K34 PolarHBondContact O-N 3.36Å; A32-K35 PolarHBondContact O-N 3.38Å; A32-K35 VanDerWaalsContact O-N 3.11Å; A32-Y36 HydrophobicContact CB-CD2 4.13Å; A32-Y36 HydrophobicContact CB-CE2 4.24Å; A32-Y36 WeakPolarHBondContact O-CD2 3.43Å; A32-Y36 PolarHBondContact O-N 3.38Å; A32-F54 HydrophobicContact CB-CD2 3.93Å; A32-F54 HydrophobicContact CB-CE2 4.43Å; A32-I57 HydrophobicContact CB-CB 4.45Å; A32-I57 HydrophobicContact CB-CD1 3.71Å; A32-I57 HydrophobicContact CB-CG2 4.02Å
33R95.6Very high95.2Very high20 Ų2078.5 Ų78.58%0.07539%0.388CS..Hα-helixtrans-54.6-47.4175.5-175176.5-79.1-83.43.6111.9V29 K31 K37 V38 E39 T42 F54V29-R33 WeakPolarHBondContact O-CB 3.38Å; V29-R33 PolarHBondContact O-N 3.38Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.46Å; R33-K37 PolarHBondContact O-N 3.47Å; R33-V38 WeakPolarHBondContact CD-O 3.33Å; R33-V38 HydrophobicContact CG-CB 4.24Å; R33-V38 WeakPolarHBondContact CG-O 3.28Å; R33-V38 PolarHBondContact NH1-O 3Å; R33-V38 PolarHBondContact O-N 2.85Å; R33-E39 PolarHBondContact NH1-O 2.86Å; R33-T42 PolarHBondContact NH1-O 2.98Å; R33-T42 VanDerWaalsContact NH1-O 3.09Å; R33-T42 PolarHBondContact NH2-O 2.89Å; R33-F54 HydrophobicContact CB-CE2 4.03Å
34K94.6Very high95Very high177 Ų17781.3 Ų81.377%0.7739%0.392SS*.Hα-helixtrans-64.3-43.9175.6-67-179.1-178.8-173.90111.9S30 K31 A32 K37S30-K34 PolarHBondContact O-N 2.94Å; K31-K34 PolarHBondContact O-N 2.99Å; A32-K34 VanDerWaalsContact C-N 3.31Å; A32-K34 PolarHBondContact O-N 3.36Å; K34-K37 PolarHBondContact O-N 3.11Å
35K94.1Very high94.8Very high152 Ų15279 Ų7966%0.66138%0.383SS*.Hα-helixtrans-62.2-43.8-179.1-176.5180177.5-172.20112.6K31 A32K31-K35 PolarHBondContact O-N 3.28Å; A32-K35 PolarHBondContact O-N 3.38Å; A32-K35 VanDerWaalsContact O-N 3.11Å
36Y93.3Very high94.6Very high32 Ų3285.7 Ų85.713%0.12543%0.425CS..THydrogen-bonded Turntrans-97.711.5-176.5-59.8-69.1000113.1A32 V38 N50 I53 F54 I57A32-Y36 HydrophobicContact CB-CD2 4.13Å; A32-Y36 HydrophobicContact CB-CE2 4.24Å; A32-Y36 WeakPolarHBondContact O-CD2 3.43Å; A32-Y36 PolarHBondContact O-N 3.38Å; Y36-V38 PolarHBondContact O-N 2.98Å; Y36-V38 VanDerWaalsContact O-N 3.13Å; Y36-N50 HydrophobicContact CD1-CB 3.72Å; Y36-N50 HydrophobicContact CE1-CB 3.73Å; Y36-I53 HydrophobicContact CE2-CG2 4.37Å; Y36-I53 WeakPolarHBondContact OH-CG2 3.4Å; Y36-F54 HydrophobicContact CD2-CB 3.69Å; Y36-F54 HydrophobicContact CD2-CD2 4.21Å; Y36-F54 HydrophobicContact CD2-CG 4.4Å; Y36-F54 HydrophobicContact CE2-CB 4.34Å; Y36-F54 HydrophobicContact CG-CB 4.05Å; Y36-I57 HydrophobicContact CE2-CD1 4.34Å
37K93.7Very high94.3Very high187 Ų18787.1 Ų87.181%0.81343%0.428SS*.THydrogen-bonded Turntrans49.939.4176.6-57.5179.7-179.51780113.9R33 K34 E39R33-K37 PolarHBondContact O-N 3.47Å; K34-K37 PolarHBondContact O-N 3.11Å; K37-E39 PolarHBondContact O-N 2.82Å
38V94.2Very high93.7Very high12 Ų1288.9 Ų88.97%0.07345%0.445CS..  trans-86.2107.1178.4-173.90000108.4R33 Y36 T42 F54R33-V38 WeakPolarHBondContact CD-O 3.33Å; R33-V38 HydrophobicContact CG-CB 4.24Å; R33-V38 WeakPolarHBondContact CG-O 3.28Å; R33-V38 PolarHBondContact NH1-O 3Å; R33-V38 PolarHBondContact O-N 2.85Å; Y36-V38 PolarHBondContact O-N 2.98Å; Y36-V38 VanDerWaalsContact O-N 3.13Å; V38-T42 HydrophobicContact CG1-CG2 4Å; V38-F54 HydrophobicContact CB-CE1 4.11Å; V38-F54 HydrophobicContact CB-CE2 4.37Å; V38-F54 HydrophobicContact CB-CZ 4.02Å; V38-F54 HydrophobicContact CG1-CE1 3.8Å; V38-F54 HydrophobicContact CG1-CZ 3.96Å; V38-F54 HydrophobicContact CG2-CD1 3.8Å; V38-F54 HydrophobicContact CG2-CD2 4.19Å; V38-F54 HydrophobicContact CG2-CE1 3.86Å; V38-F54 HydrophobicContact CG2-CE2 4.26Å; V38-F54 HydrophobicContact CG2-CG 3.96Å; V38-F54 HydrophobicContact CG2-CZ 4.1Å
39E92.6Very high93.1Very high158 Ų15894.6 Ų94.674%0.73847%0.47SS*.  trans-74.3154.1180-61.7-163.416300112.3R33 K37 T42R33-E39 PolarHBondContact NH1-O 2.86Å; K37-E39 PolarHBondContact O-N 2.82Å; E39-T42 VanDerWaalsContact O-CB 3.22Å; E39-T42 WeakPolarHBondContact O-CB 3.47Å; E39-T42 PolarHBondContact O-N 2.61Å
40Y91.2Very high92.6Very high167 Ų16797 Ų9766%0.65548%0.483SS*.THydrogen-bonded Turntrans-72.8144.7169.1-64.9-78.9000108.9
41P94.7Very high92.2Very high124 Ų12494.6 Ų94.681%0.80547%0.466SS*.THydrogen-bonded Turncis-91.510.26.636.6-36.2000114.5M43P41-M43 PolarHBondContact O-N 3.25Å
42T94.4Very high92Very high70 Ų7092.6 Ų92.643%0.42946%0.459SS..  trans-57.9124.2-174.1-55.20000111.5R33 V38 E39 Y44R33-T42 PolarHBondContact NH1-O 2.98Å; R33-T42 VanDerWaalsContact NH1-O 3.09Å; R33-T42 PolarHBondContact NH2-O 2.89Å; V38-T42 HydrophobicContact CG1-CG2 4Å; E39-T42 VanDerWaalsContact O-CB 3.22Å; E39-T42 WeakPolarHBondContact O-CB 3.47Å; E39-T42 PolarHBondContact O-N 2.61Å; T42-Y44 WeakPolarHBondContact CG2-O 3.28Å
43M92.8Very high91.9Very high95 Ų9593.8 Ų93.847%0.46846%0.464SS..  trans-88.8-41.4-174.1-174179-66.100112.8P41 F54 Q58 Q62P41-M43 PolarHBondContact O-N 3.25Å; M43-F54 VanDerWaalsContact O-CE1 3.32Å; M43-F54 WeakPolarHBondContact O-CE1 3.44Å; M43-Q58 PolarHBondContact O-NE2 3.27Å; M43-Q62 PolarHBondContact SD-NE2 3.03Å
44Y94.3Very high91.8Very high93 Ų9392.9 Ų92.937%0.36546%0.46SS..SBendtrans-123.9140.5178.8-66.6-62.1000109.6T42 N55 Q58 Q62T42-Y44 WeakPolarHBondContact CG2-O 3.28Å; Y44-N55 VanDerWaalsContact CA-OD1 3.24Å; Y44-N55 WeakPolarHBondContact CA-OD1 3.5Å; Y44-N55 WeakPolarHBondContact CB-OD1 3.36Å; Y44-N55 HydrophobicContact CD1-CB 3.89Å; Y44-N55 WeakPolarHBondContact CD1-OD1 3.37Å; Y44-N55 HydrophobicContact CE1-CB 4.5Å; Y44-Q58 HydrophobicContact CD1-CG 4.32Å; Y44-Q58 HydrophobicContact CE1-CB 4.29Å; Y44-Q58 HydrophobicContact CE1-CG 3.94Å; Y44-Q62 PolarHBondContact OH-OE1 3.28Å
45S92.4Very high91.8Very high17 Ų1786.4 Ų86.412%0.11943%0.434CS..  trans-79.2139.1174.4-177.70000110.3D47 G51 N55S45-D47 VanDerWaalsContact OG-CB 3.3Å; S45-D47 WeakPolarHBondContact OG-CB 3.44Å; S45-D47 PolarHBondContact OG-N 3.16Å; S45-D47 VanDerWaalsContact OG-N 3.16Å; S45-G51 WeakPolarHBondContact OG-CA 3.25Å; S45-N55 PolarHBondContact N-OD1 3.3Å; S45-N55 PolarHBondContact O-ND2 2.73Å
46T92.3Very high91.8Very high143 Ų14379.7 Ų79.788%0.87741%0.406SS*.  trans-97.74.7171.454.20000112.3P48T46-P48 WeakPolarHBondContact O-CD 3.28Å
47D90.9Very high91.9Very high63 Ų6379 Ų7934%0.33741%0.405SS..  trans-61.5121176.6178.7-12000110.2S45 E49 N50 G51S45-D47 VanDerWaalsContact OG-CB 3.3Å; S45-D47 WeakPolarHBondContact OG-CB 3.44Å; S45-D47 PolarHBondContact OG-N 3.16Å; S45-D47 VanDerWaalsContact OG-N 3.16Å; D47-E49 VanDerWaalsContact C-N 3.34Å; D47-E49 PolarHBondContact O-N 3.17Å; D47-E49 PolarHBondContact OD1-N 3.45Å; D47-N50 PolarHBondContact OD1-N 3.48Å; D47-G51 WeakPolarHBondContact O-CA 3.1Å; D47-G51 PolarHBondContact O-N 3.38Å
48P85Confident92Very high125 Ų12571 Ų7181%0.81237%0.37SS*.THydrogen-bonded Turntrans-68.7-27.4-177.126.7-33.6000113.8T46T46-P48 WeakPolarHBondContact O-CD 3.28Å
49E85.4Confident92.1Very high148 Ų14873.9 Ų73.969%0.69238%0.38SS*.THydrogen-bonded Turntrans-83.2-52.3-177.4-67.1-168.415900111.2D47 H52D47-E49 VanDerWaalsContact C-N 3.34Å; D47-E49 PolarHBondContact O-N 3.17Å; D47-E49 PolarHBondContact OD1-N 3.45Å; E49-H52 PolarHBondContact O-CE1 3.37Å; E49-H52 VanDerWaalsContact O-CE1 3.3Å; E49-H52 PolarHBondContact O-ND1 2.85Å
50N85.6Confident92.2Very high63 Ų6366.3 Ų66.334%0.33734%0.344SS..THydrogen-bonded Turntrans-121.5-6.8-167.3-70.9-63.5000114.2Y36 D47 H52 I53Y36-N50 HydrophobicContact CD1-CB 3.72Å; Y36-N50 HydrophobicContact CE1-CB 3.73Å; D47-N50 PolarHBondContact OD1-N 3.48Å; N50-H52 VanDerWaalsContact C-N 3.25Å; N50-H52 PolarHBondContact O-N 3.33Å; N50-I53 PolarHBondContact O-N 2.86Å
51G88.1Confident92.5Very high0 Ų059.5 Ų59.50%032%0.318CS..Hα-helixtrans-62.7-33-176.900000113S45 D47 I53 F54 N55S45-G51 WeakPolarHBondContact OG-CA 3.25Å; D47-G51 WeakPolarHBondContact O-CA 3.1Å; D47-G51 PolarHBondContact O-N 3.38Å; G51-I53 VanDerWaalsContact C-N 3.32Å; G51-I53 PolarHBondContact O-N 3.16Å; G51-F54 PolarHBondContact O-N 2.91Å; G51-N55 WeakPolarHBondContact O-CB 3.36Å; G51-N55 PolarHBondContact O-N 2.89Å; G51-N55 PolarHBondContact O-ND2 3.46Å; G51-N55 PolarHBondContact O-OD1 3.01Å
52H91.3Very high92.6Very high92 Ų9255.4 Ų55.443%0.42629%0.289SS..Hα-helixtrans-60.9-36.6178.874.6-84.3000113.1E49 N50 N55 C56E49-H52 PolarHBondContact O-CE1 3.37Å; E49-H52 VanDerWaalsContact O-CE1 3.3Å; E49-H52 PolarHBondContact O-ND1 2.85Å; N50-H52 VanDerWaalsContact C-N 3.25Å; N50-H52 PolarHBondContact O-N 3.33Å; H52-N55 PolarHBondContact O-N 3.39Å; H52-C56 WeakPolarHBondContact O-CB 3Å; H52-C56 PolarHBondContact O-N 3.41Å; H52-C56 PolarHBondContact O-SG 3.21Å
53I92.6Very high92.7Very high32 Ų3253.6 Ų53.616%0.16428%0.276CS..Hα-helixtrans-69-46.5179-53.2178000110.1Y36 N50 G51 N55 C56 I57Y36-I53 HydrophobicContact CE2-CG2 4.37Å; Y36-I53 WeakPolarHBondContact OH-CG2 3.4Å; N50-I53 PolarHBondContact O-N 2.86Å; G51-I53 VanDerWaalsContact C-N 3.32Å; G51-I53 PolarHBondContact O-N 3.16Å; I53-N55 VanDerWaalsContact C-N 3.31Å; I53-N55 PolarHBondContact O-N 2.68Å; I53-C56 WeakPolarHBondContact O-CB 3.41Å; I53-C56 PolarHBondContact O-N 2.99Å; I53-I57 HydrophobicContact CG2-CD1 4.06Å; I53-I57 WeakPolarHBondContact O-CG1 3.31Å; I53-I57 PolarHBondContact O-N 3.47Å
54F94.8Very high92.9Very high0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-58-45.8174.3173.4-100.6000111.3A32 R33 Y36 V38 M43 G51 C56 I57 Q58A32-F54 HydrophobicContact CB-CD2 3.93Å; A32-F54 HydrophobicContact CB-CE2 4.43Å; R33-F54 HydrophobicContact CB-CE2 4.03Å; Y36-F54 HydrophobicContact CD2-CB 3.69Å; Y36-F54 HydrophobicContact CD2-CD2 4.21Å; Y36-F54 HydrophobicContact CD2-CG 4.4Å; Y36-F54 HydrophobicContact CE2-CB 4.34Å; Y36-F54 HydrophobicContact CG-CB 4.05Å; V38-F54 HydrophobicContact CB-CE1 4.11Å; V38-F54 HydrophobicContact CB-CE2 4.37Å; V38-F54 HydrophobicContact CB-CZ 4.02Å; V38-F54 HydrophobicContact CG1-CE1 3.8Å; V38-F54 HydrophobicContact CG1-CZ 3.96Å; V38-F54 HydrophobicContact CG2-CD1 3.8Å; V38-F54 HydrophobicContact CG2-CD2 4.19Å; V38-F54 HydrophobicContact CG2-CE1 3.86Å; V38-F54 HydrophobicContact CG2-CE2 4.26Å; V38-F54 HydrophobicContact CG2-CG 3.96Å; V38-F54 HydrophobicContact CG2-CZ 4.1Å; M43-F54 VanDerWaalsContact O-CE1 3.32Å; M43-F54 WeakPolarHBondContact O-CE1 3.44Å; G51-F54 PolarHBondContact O-N 2.91Å; F54-C56 VanDerWaalsContact C-N 3.28Å; F54-C56 PolarHBondContact O-N 3.36Å; F54-I57 PolarHBondContact O-N 3.32Å; F54-Q58 WeakPolarHBondContact O-CB 3.33Å; F54-Q58 PolarHBondContact O-N 3.41Å
55N95.1Very high93Very high42 Ų4248.2 Ų48.223%0.22526%0.255CS..Hα-helixtrans-61.1-38.3179.6-65.8-11.9000111.6Y44 S45 G51 H52 I53 R59Y44-N55 VanDerWaalsContact CA-OD1 3.24Å; Y44-N55 WeakPolarHBondContact CA-OD1 3.5Å; Y44-N55 WeakPolarHBondContact CB-OD1 3.36Å; Y44-N55 HydrophobicContact CD1-CB 3.89Å; Y44-N55 WeakPolarHBondContact CD1-OD1 3.37Å; Y44-N55 HydrophobicContact CE1-CB 4.5Å; S45-N55 PolarHBondContact N-OD1 3.3Å; S45-N55 PolarHBondContact O-ND2 2.73Å; G51-N55 WeakPolarHBondContact O-CB 3.36Å; G51-N55 PolarHBondContact O-N 2.89Å; G51-N55 PolarHBondContact O-ND2 3.46Å; G51-N55 PolarHBondContact O-OD1 3.01Å; H52-N55 PolarHBondContact O-N 3.39Å; I53-N55 VanDerWaalsContact C-N 3.31Å; I53-N55 PolarHBondContact O-N 2.68Å; N55-R59 VanDerWaalsContact O-CB 3.23Å; N55-R59 WeakPolarHBondContact O-CB 3.43Å; N55-R59 PolarHBondContact O-N 2.88Å
56C94.3Very high93.2Very high11 Ų1152.5 Ų52.57%0.07427%0.273CS..Hα-helixtrans-64.2-46.6173.9-74.70000112.6H52 I53 F54 R59 A60 Y104H52-C56 WeakPolarHBondContact O-CB 3Å; H52-C56 PolarHBondContact O-N 3.41Å; H52-C56 PolarHBondContact O-SG 3.21Å; I53-C56 WeakPolarHBondContact O-CB 3.41Å; I53-C56 PolarHBondContact O-N 2.99Å; F54-C56 VanDerWaalsContact C-N 3.28Å; F54-C56 PolarHBondContact O-N 3.36Å; C56-R59 PolarHBondContact O-N 3.02Å; C56-A60 WeakPolarHBondContact O-CB 3.41Å; C56-A60 PolarHBondContact O-N 2.9Å; C56-Y104 HydrophobicContact CB-CD1 3.81Å; C56-Y104 VanDerWaalsContact CB-O 3.26Å; C56-Y104 WeakPolarHBondContact CB-O 3.5Å
57I95.1Very high93.4Very high17 Ų1747.1 Ų47.19%0.08724%0.24CC..Hα-helixtrans-60.6-46.9177.2-65.3164.4000110.4V29 A32 Y36 I53 F54 A60 H61 Y105V29-I57 HydrophobicContact CG2-CG2 4.06Å; A32-I57 HydrophobicContact CB-CB 4.45Å; A32-I57 HydrophobicContact CB-CD1 3.71Å; A32-I57 HydrophobicContact CB-CG2 4.02Å; Y36-I57 HydrophobicContact CE2-CD1 4.34Å; I53-I57 HydrophobicContact CG2-CD1 4.06Å; I53-I57 WeakPolarHBondContact O-CG1 3.31Å; I53-I57 PolarHBondContact O-N 3.47Å; F54-I57 PolarHBondContact O-N 3.32Å; I57-A60 PolarHBondContact O-N 3.13Å; I57-H61 PolarHBondContact O-N 3.32Å; I57-Y105 HydrophobicContact CB-CD1 4Å; I57-Y105 HydrophobicContact CB-CE1 4.01Å; I57-Y105 HydrophobicContact CG1-CD1 3.46Å; I57-Y105 VanDerWaalsContact CG1-CD1 3.46Å; I57-Y105 HydrophobicContact CG1-CE1 3.96Å; I57-Y105 HydrophobicContact CG1-CG 4.01Å; I57-Y105 HydrophobicContact CG2-CD1 4.14Å; I57-Y105 HydrophobicContact CG2-CE1 3.71Å
58Q96Very high93.7Very high18 Ų1845.5 Ų45.58%0.08423%0.229CC..Hα-helixtrans-61.2-46.7177.5179.972.7-49.200111.6M43 Y44 F54 A60 H61 Q62M43-Q58 PolarHBondContact O-NE2 3.27Å; Y44-Q58 HydrophobicContact CD1-CG 4.32Å; Y44-Q58 HydrophobicContact CE1-CB 4.29Å; Y44-Q58 HydrophobicContact CE1-CG 3.94Å; F54-Q58 WeakPolarHBondContact O-CB 3.33Å; F54-Q58 PolarHBondContact O-N 3.41Å; Q58-A60 VanDerWaalsContact C-N 3.32Å; Q58-A60 PolarHBondContact O-N 3.12Å; Q58-H61 PolarHBondContact O-N 3.27Å; Q58-Q62 WeakPolarHBondContact O-CG 3.48Å; Q58-Q62 PolarHBondContact O-N 3.28Å
59R95.4Very high94.3Very high73 Ų7343.4 Ų43.428%0.27522%0.216SC..Hα-helixtrans-64.6-36.6-179.7-175.366.4-159.9134.64.2112N55 C56 H61 Q62 N63 E66N55-R59 VanDerWaalsContact O-CB 3.23Å; N55-R59 WeakPolarHBondContact O-CB 3.43Å; N55-R59 PolarHBondContact O-N 2.88Å; C56-R59 PolarHBondContact O-N 3.02Å; R59-H61 VanDerWaalsContact C-N 3.33Å; R59-H61 PolarHBondContact O-N 2.96Å; R59-Q62 PolarHBondContact O-N 3.17Å; R59-N63 WeakPolarHBondContact O-CB 3.39Å; R59-N63 PolarHBondContact O-N 2.81Å; R59-E66 IonicContact CZ-OE1 2.7Å; R59-E66 IonicContact CZ-OE2 3.68Å; R59-E66 IonicContact NH1-OE1 2.81Å; R59-E66 PolarHBondContact NH1-OE1 3.4Å; R59-E66 IonicContact NH1-OE2 2.67Å; R59-E66 IonicContact NH2-OE1 3.69Å; R59-E66 PolarHBondContact NH2-OE1 2.9Å; R59-E66 VanDerWaalsContact NH2-OE1 3.12Å; R59-E66 IonicContact NH2-OE2 3.08Å; R59-E66 PolarHBondContact NH2-OE2 3.44Å
60A95.3Very high94.8Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-60.9-42.7176.900000112.4C56 I57 Q58 T64 Y100 A101 Y104 Y105C56-A60 WeakPolarHBondContact O-CB 3.41Å; C56-A60 PolarHBondContact O-N 2.9Å; I57-A60 PolarHBondContact O-N 3.13Å; Q58-A60 VanDerWaalsContact C-N 3.32Å; Q58-A60 PolarHBondContact O-N 3.12Å; A60-T64 PolarHBondContact O-N 3.22Å; A60-T64 PolarHBondContact O-OG1 2.9Å; A60-Y100 HydrophobicContact CB-CE1 4.32Å; A60-A101 HydrophobicContact CB-CB 4.25Å; A60-Y104 HydrophobicContact CB-CD2 4.39Å; A60-Y104 HydrophobicContact CB-CG 4.09Å; A60-Y105 HydrophobicContact CB-CE1 4.24Å
61H97.1Very high95.4Very high24 Ų2436 Ų3611%0.11118%0.184CC..Hα-helixtrans-67.1-48175.1178.5-126.1000111.9L25 V29 I57 Q58 R59 N63 T64 L65L25-H61 HydrophobicContact CB-CB 4.22Å; V29-H61 HydrophobicContact CG2-CB 3.61Å; I57-H61 PolarHBondContact O-N 3.32Å; Q58-H61 PolarHBondContact O-N 3.27Å; R59-H61 VanDerWaalsContact C-N 3.33Å; R59-H61 PolarHBondContact O-N 2.96Å; H61-N63 PolarHBondContact O-N 3.04Å; H61-T64 WeakPolarHBondContact O-CA 3.44Å; H61-T64 WeakPolarHBondContact O-CB 3.48Å; H61-T64 PolarHBondContact O-N 3.02Å; H61-T64 VanDerWaalsContact O-N 3.09Å; H61-L65 PolarHBondContact O-N 2.91Å
62Q97.2Very high95.8Very high38 Ų3839 Ų3918%0.17820%0.2CC..Hα-helixtrans-60.9-44.7179.1-72.5178.6-48.900112.8M43 Y44 Q58 R59 T64 L65 E66M43-Q62 PolarHBondContact SD-NE2 3.03Å; Y44-Q62 PolarHBondContact OH-OE1 3.28Å; Q58-Q62 WeakPolarHBondContact O-CG 3.48Å; Q58-Q62 PolarHBondContact O-N 3.28Å; R59-Q62 PolarHBondContact O-N 3.17Å; Q62-T64 PolarHBondContact O-N 3.42Å; Q62-L65 WeakPolarHBondContact O-CB 3.46Å; Q62-L65 PolarHBondContact O-N 2.97Å; Q62-L65 VanDerWaalsContact O-N 3.07Å; Q62-E66 WeakPolarHBondContact O-CG 3.46Å; Q62-E66 PolarHBondContact O-N 3.2Å
63N95.9Very high96.1Very high32 Ų3240.2 Ų40.217%0.17120%0.204CC..Hα-helixtrans-62.3-32.9176.1-178.1-103.3000112.2R59 H61 E66 V67 R97 Y100R59-N63 WeakPolarHBondContact O-CB 3.39Å; R59-N63 PolarHBondContact O-N 2.81Å; H61-N63 PolarHBondContact O-N 3.04Å; N63-E66 PolarHBondContact ND2-OE2 3.3Å; N63-V67 WeakPolarHBondContact O-CG2 3.36Å; N63-V67 PolarHBondContact O-N 3.36Å; N63-R97 PolarHBondContact OD1-NH1 3.02Å; N63-Y100 HydrophobicContact CB-CE1 4.48Å; N63-Y100 PolarHBondContact OD1-OH 2.86Å
64T96.3Very high96.3Very high0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-66.2-44.3173.6-57.80000110.4M21 V22 L25 A60 H61 Q62 E66 V67 Y68 W93M21-T64 HydrophobicContact CE-CG2 3.88Å; M21-T64 HydrophobicContact SD-CG2 4.06Å; V22-T64 HydrophobicContact CG2-CG2 4.25Å; L25-T64 HydrophobicContact CD2-CG2 4.2Å; L25-T64 WeakPolarHBondContact CD2-OG1 3.45Å; A60-T64 PolarHBondContact O-N 3.22Å; A60-T64 PolarHBondContact O-OG1 2.9Å; H61-T64 WeakPolarHBondContact O-CA 3.44Å; H61-T64 WeakPolarHBondContact O-CB 3.48Å; H61-T64 PolarHBondContact O-N 3.02Å; H61-T64 VanDerWaalsContact O-N 3.09Å; Q62-T64 PolarHBondContact O-N 3.42Å; T64-E66 PolarHBondContact O-N 3.21Å; T64-V67 PolarHBondContact O-N 3.04Å; T64-Y68 VanDerWaalsContact O-CB 3.31Å; T64-Y68 WeakPolarHBondContact O-CB 3.5Å; T64-Y68 PolarHBondContact O-N 2.98Å; T64-W93 HydrophobicContact CG2-CH2 4.22Å
65L97.6Very high96.4Very high75 Ų7541 Ų4139%0.39321%0.207SC..Hα-helixtrans-64-35.1176.7-69.5177.4000113.6V22 H61 Q62 V67 Y68 P69V22-L65 HydrophobicContact CG1-CD2 3.66Å; H61-L65 PolarHBondContact O-N 2.91Å; Q62-L65 WeakPolarHBondContact O-CB 3.46Å; Q62-L65 PolarHBondContact O-N 2.97Å; Q62-L65 VanDerWaalsContact O-N 3.07Å; L65-V67 PolarHBondContact O-N 3.47Å; L65-Y68 PolarHBondContact O-N 2.9Å; L65-P69 WeakPolarHBondContact O-CD 3.48Å
66E96.8Very high96.4Very high106 Ų10640.9 Ų40.950%0.49521%0.212SC..Hα-helixtrans-61.4-33.9174.6-73.2163.2-169.500112R59 Q62 N63 T64R59-E66 IonicContact CZ-OE1 2.7Å; R59-E66 IonicContact CZ-OE2 3.68Å; R59-E66 IonicContact NH1-OE1 2.81Å; R59-E66 PolarHBondContact NH1-OE1 3.4Å; R59-E66 IonicContact NH1-OE2 2.67Å; R59-E66 IonicContact NH2-OE1 3.69Å; R59-E66 PolarHBondContact NH2-OE1 2.9Å; R59-E66 VanDerWaalsContact NH2-OE1 3.12Å; R59-E66 IonicContact NH2-OE2 3.08Å; R59-E66 PolarHBondContact NH2-OE2 3.44Å; Q62-E66 WeakPolarHBondContact O-CG 3.46Å; Q62-E66 PolarHBondContact O-N 3.2Å; N63-E66 PolarHBondContact ND2-OE2 3.3Å; T64-E66 PolarHBondContact O-N 3.21Å
67V96Very high96.4Very high30 Ų3043 Ų4318%0.18222%0.224CC..Hα-helixtrans-100.1-11.7-175.5-177.80000112.6N63 T64 L65 P70 F71 W93 R97 L122N63-V67 WeakPolarHBondContact O-CG2 3.36Å; N63-V67 PolarHBondContact O-N 3.36Å; T64-V67 PolarHBondContact O-N 3.04Å; L65-V67 PolarHBondContact O-N 3.47Å; V67-P70 WeakPolarHBondContact O-CD 3.31Å; V67-F71 WeakPolarHBondContact O-CB 3.44Å; V67-F71 PolarHBondContact O-N 3.25Å; V67-W93 HydrophobicContact CG1-CZ2 4.21Å; V67-R97 VanDerWaalsContact CB-NH2 3.26Å; V67-R97 VanDerWaalsContact CG1-NH2 3.32Å; V67-L122 HydrophobicContact CG1-CD2 3.4Å; V67-L122 VanDerWaalsContact CG1-CD2 3.4Å
68Y97.4Very high96.2Very high29 Ų2942.2 Ų42.211%0.11422%0.22CC..Hα-helixtrans-65.8-43.5-176.1-169.3-128.1000113.8S18 F19 V22 T64 L65 F71 L72 W93S18-Y68 VanDerWaalsContact OG-CE2 3.28Å; S18-Y68 WeakPolarHBondContact OG-CE2 3.34Å; S18-Y68 PolarHBondContact OG-OH 2.88Å; F19-Y68 WeakPolarHBondContact CA-OH 3.46Å; F19-Y68 PolarHBondContact N-OH 3.01Å; V22-Y68 HydrophobicContact CG2-CD1 4.13Å; V22-Y68 HydrophobicContact CG2-CD2 3.97Å; V22-Y68 HydrophobicContact CG2-CE1 4.09Å; V22-Y68 HydrophobicContact CG2-CE2 3.94Å; V22-Y68 HydrophobicContact CG2-CG 4.07Å; T64-Y68 VanDerWaalsContact O-CB 3.31Å; T64-Y68 WeakPolarHBondContact O-CB 3.5Å; T64-Y68 PolarHBondContact O-N 2.98Å; L65-Y68 PolarHBondContact O-N 2.9Å; Y68-F71 AromaticContact CD2-CD1 3.9Å; Y68-F71 HydrophobicContact CD2-CD1 3.9Å; Y68-F71 AromaticContact CE2-CD1 3.95Å; Y68-F71 HydrophobicContact CE2-CD1 3.95Å; Y68-F71 HydrophobicContact CE2-CE1 4.22Å; Y68-F71 WeakPolarHBondContact O-CB 3.3Å; Y68-F71 PolarHBondContact O-N 3.42Å; Y68-L72 HydrophobicContact CD1-CD1 4.04Å; Y68-L72 HydrophobicContact CD2-CG 4.29Å; Y68-L72 HydrophobicContact CE1-CD1 3.65Å; Y68-L72 HydrophobicContact CE1-CG 4.26Å; Y68-L72 HydrophobicContact CE2-CD1 4.26Å; Y68-L72 HydrophobicContact CE2-CD2 3.97Å; Y68-L72 HydrophobicContact CE2-CG 3.96Å; Y68-L72 WeakPolarHBondContact O-CG 3.41Å; Y68-L72 PolarHBondContact O-N 3.12Å; Y68-W93 AromaticContact CD2-CH2 3.9Å; Y68-W93 HydrophobicContact CD2-CH2 3.9Å; Y68-W93 HydrophobicContact CD2-CZ3 4.18Å
69P97.4Very high96.1Very high81 Ų8141.3 Ų41.353%0.52622%0.216SC..Hα-helixtrans-63-47.2176.5-16.426.6000113.4L65 F71 L72 F73L65-P69 WeakPolarHBondContact O-CD 3.48Å; P69-F71 VanDerWaalsContact C-N 3.3Å; P69-F71 PolarHBondContact O-N 2.93Å; P69-L72 PolarHBondContact O-N 2.7Å; P69-F73 PolarHBondContact O-N 2.89Å
70P96.2Very high95.9Very high56 Ų5641.1 Ų41.136%0.36422%0.222SC..Hα-helixtrans-56.9-43172-26.234.1000112.8V67 L72 F73 F74V67-P70 WeakPolarHBondContact O-CD 3.31Å; P70-L72 PolarHBondContact O-N 3.07Å; P70-F73 PolarHBondContact O-N 3.19Å; P70-F74 HydrophobicContact CB-CD2 4.43Å; P70-F74 HydrophobicContact CB-CE2 4.19Å; P70-F74 WeakPolarHBondContact O-CD2 3.32Å; P70-F74 PolarHBondContact O-N 2.81Å
71F97.4Very high95.5Very high0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-57.4-49.7176.6164.9-95.5000112.2V67 Y68 P69 F73 F74 L75 W93 L122 L125V67-F71 WeakPolarHBondContact O-CB 3.44Å; V67-F71 PolarHBondContact O-N 3.25Å; Y68-F71 AromaticContact CD2-CD1 3.9Å; Y68-F71 HydrophobicContact CD2-CD1 3.9Å; Y68-F71 AromaticContact CE2-CD1 3.95Å; Y68-F71 HydrophobicContact CE2-CD1 3.95Å; Y68-F71 HydrophobicContact CE2-CE1 4.22Å; Y68-F71 WeakPolarHBondContact O-CB 3.3Å; Y68-F71 PolarHBondContact O-N 3.42Å; P69-F71 VanDerWaalsContact C-N 3.3Å; P69-F71 PolarHBondContact O-N 2.93Å; F71-F73 VanDerWaalsContact C-N 3.31Å; F71-F73 PolarHBondContact O-N 3.41Å; F71-F74 PolarHBondContact O-N 3.23Å; F71-L75 HydrophobicContact CE1-CD2 3.94Å; F71-L75 HydrophobicContact CZ-CD2 3.86Å; F71-L75 VanDerWaalsContact O-CB 3.23Å; F71-L75 WeakPolarHBondContact O-CB 3.45Å; F71-L75 PolarHBondContact O-N 3.18Å; F71-W93 HydrophobicContact CB-CH2 4.22Å; F71-W93 HydrophobicContact CB-CZ2 4.04Å; F71-W93 HydrophobicContact CD1-CE3 4.02Å; F71-W93 HydrophobicContact CD1-CH2 4.12Å; F71-W93 AromaticContact CD1-CZ3 3.75Å; F71-W93 HydrophobicContact CD1-CZ3 3.75Å; F71-W93 HydrophobicContact CD2-CB 4.26Å; F71-W93 AromaticContact CD2-CD2 3.42Å; F71-W93 HydrophobicContact CD2-CD2 3.42Å; F71-W93 VanDerWaalsContact CD2-CD2 3.42Å; F71-W93 AromaticContact CD2-CE2 3.83Å; F71-W93 AromaticContact CD2-CE3 3.55Å; F71-W93 HydrophobicContact CD2-CE3 3.55Å; F71-W93 AromaticContact CD2-CG 3.75Å; F71-W93 HydrophobicContact CD2-CG 3.75Å; F71-W93 HydrophobicContact CD2-CH2 4.42Å; F71-W93 HydrophobicContact CD2-CZ2 4.32Å; F71-W93 HydrophobicContact CD2-CZ3 4.05Å; F71-W93 AromaticContact CE1-CE3 3.91Å; F71-W93 HydrophobicContact CE1-CE3 3.91Å; F71-W93 AromaticContact CE1-CZ3 3.87Å; F71-W93 HydrophobicContact CE1-CZ3 3.87Å; F71-W93 HydrophobicContact CE2-CB 3.83Å; F71-W93 AromaticContact CE2-CD2 3.58Å; F71-W93 HydrophobicContact CE2-CD2 3.58Å; F71-W93 AromaticContact CE2-CE3 3.4Å; F71-W93 HydrophobicContact CE2-CE3 3.4Å; F71-W93 VanDerWaalsContact CE2-CE3 3.4Å; F71-W93 AromaticContact CE2-CG 3.77Å; F71-W93 HydrophobicContact CE2-CG 3.77Å; F71-W93 HydrophobicContact CE2-CZ3 4.14Å; F71-W93 AromaticContact CG-CD2 3.97Å; F71-W93 HydrophobicContact CG-CD2 3.97Å; F71-W93 AromaticContact CG-CE3 3.84Å; F71-W93 HydrophobicContact CG-CE3 3.84Å; F71-W93 AromaticContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CZ2 4.09Å; F71-W93 AromaticContact CG-CZ3 3.84Å; F71-W93 HydrophobicContact CG-CZ3 3.84Å; F71-W93 HydrophobicContact CZ-CD2 4.26Å; F71-W93 AromaticContact CZ-CE3 3.6Å; F71-W93 HydrophobicContact CZ-CE3 3.6Å; F71-W93 HydrophobicContact CZ-CZ3 4.06Å; F71-L122 HydrophobicContact CB-CD1 4.18Å; F71-L122 HydrophobicContact CD2-CD1 4.32Å; F71-L125 HydrophobicContact CD2-CD1 3.78Å; F71-L125 HydrophobicContact CE2-CD1 3.65Å
72L97.6Very high95.2Very high64 Ų6447 Ų4734%0.33525%0.246SC..Hα-helixtrans-61.9-40.1179-72.5177.9000111.8Y68 P69 P70 A76Y68-L72 HydrophobicContact CD1-CD1 4.04Å; Y68-L72 HydrophobicContact CD2-CG 4.29Å; Y68-L72 HydrophobicContact CE1-CD1 3.65Å; Y68-L72 HydrophobicContact CE1-CG 4.26Å; Y68-L72 HydrophobicContact CE2-CD1 4.26Å; Y68-L72 HydrophobicContact CE2-CD2 3.97Å; Y68-L72 HydrophobicContact CE2-CG 3.96Å; Y68-L72 WeakPolarHBondContact O-CG 3.41Å; Y68-L72 PolarHBondContact O-N 3.12Å; P69-L72 PolarHBondContact O-N 2.7Å; P70-L72 PolarHBondContact O-N 3.07Å; L72-A76 VanDerWaalsContact O-CB 3.29Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.29Å
73F97.1Very high95Very high117 Ų11745.8 Ų45.851%0.51324%0.242SC..Hα-helixtrans-59.9-53.7176.1175-97.1000111.6P69 P70 F71 L75 A76 V77P69-F73 PolarHBondContact O-N 2.89Å; P70-F73 PolarHBondContact O-N 3.19Å; F71-F73 VanDerWaalsContact C-N 3.31Å; F71-F73 PolarHBondContact O-N 3.41Å; F73-L75 PolarHBondContact O-N 3.38Å; F73-A76 PolarHBondContact O-N 3.36Å; F73-V77 HydrophobicContact CD2-CG2 4.04Å; F73-V77 HydrophobicContact CE2-CG2 3.77Å; F73-V77 HydrophobicContact CZ-CG2 4.03Å; F73-V77 WeakPolarHBondContact O-CB 3.48Å; F73-V77 WeakPolarHBondContact O-CG2 3.49Å; F73-V77 PolarHBondContact O-N 3.05Å
74F96.7Very high94.9Very high45 Ų4552.2 Ų52.220%0.19726%0.264CS..Hα-helixtrans-68.6-33.5-178.7-65.5-58.2000112.9P70 F71 G78 L125 V126 T129P70-F74 HydrophobicContact CB-CD2 4.43Å; P70-F74 HydrophobicContact CB-CE2 4.19Å; P70-F74 WeakPolarHBondContact O-CD2 3.32Å; P70-F74 PolarHBondContact O-N 2.81Å; F71-F74 PolarHBondContact O-N 3.23Å; F74-G78 WeakPolarHBondContact O-CA 3.48Å; F74-G78 PolarHBondContact O-N 3.46Å; F74-L125 HydrophobicContact CB-CB 4.13Å; F74-V126 HydrophobicContact CD1-CG2 4.47Å; F74-V126 HydrophobicContact CD2-CG2 3.74Å; F74-V126 HydrophobicContact CE1-CG1 4.26Å; F74-V126 HydrophobicContact CE1-CG2 4.36Å; F74-V126 HydrophobicContact CE2-CG2 3.64Å; F74-V126 HydrophobicContact CG-CG2 4.19Å; F74-V126 HydrophobicContact CZ-CG1 4.23Å; F74-V126 HydrophobicContact CZ-CG2 3.96Å; F74-T129 HydrophobicContact CD1-CG2 3.94Å; F74-T129 WeakPolarHBondContact CD1-OG1 3.48Å; F74-T129 HydrophobicContact CE1-CG2 4.31Å; F74-T129 PolarHBondContact O-OG1 2.97Å
75L96.8Very high94.7Very high4 Ų456.9 Ų56.92%0.02129%0.287CS..Hα-helixtrans-63.2-49173.5177.865.6000111.3V11 T14 F71 F73 G79 A86 L125V11-L75 HydrophobicContact CG1-CD1 4Å; V11-L75 HydrophobicContact CG1-CG 3.83Å; V11-L75 WeakPolarHBondContact CG1-O 3.29Å; T14-L75 HydrophobicContact CG2-CD1 4.1Å; T14-L75 HydrophobicContact CG2-CD2 4.01Å; F71-L75 HydrophobicContact CE1-CD2 3.94Å; F71-L75 HydrophobicContact CZ-CD2 3.86Å; F71-L75 VanDerWaalsContact O-CB 3.23Å; F71-L75 WeakPolarHBondContact O-CB 3.45Å; F71-L75 PolarHBondContact O-N 3.18Å; F73-L75 PolarHBondContact O-N 3.38Å; L75-G79 VanDerWaalsContact O-CA 3.31Å; L75-G79 WeakPolarHBondContact O-CA 3.38Å; L75-G79 PolarHBondContact O-N 2.99Å; L75-A86 HydrophobicContact CD1-CB 4.38Å; L75-A86 WeakPolarHBondContact CD1-O 3.36Å; L75-L125 HydrophobicContact CD1-CD2 4.39Å
76A95.3Very high94.6Very high39 Ų3953.3 Ų53.332%0.32227%0.269SS..Hα-helixtrans-67.5-53.8-17900000111.3Y8 L72 F73 G79 V80Y8-A76 PolarHBondContact OH-O 3.45Å; Y8-A76 VanDerWaalsContact OH-O 3.09Å; L72-A76 VanDerWaalsContact O-CB 3.29Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.29Å; F73-A76 PolarHBondContact O-N 3.36Å; A76-G79 PolarHBondContact O-N 3.09Å; A76-V80 WeakPolarHBondContact O-CG2 3.44Å; A76-V80 PolarHBondContact O-N 3.2Å
77V93.6Very high94.6Very high55 Ų5548.6 Ų48.633%0.33325%0.248SC..Hα-helixtrans-69.8-48.8-174.7178.90000111.5F73 G79 V80 T129F73-V77 HydrophobicContact CD2-CG2 4.04Å; F73-V77 HydrophobicContact CE2-CG2 3.77Å; F73-V77 HydrophobicContact CZ-CG2 4.03Å; F73-V77 WeakPolarHBondContact O-CB 3.48Å; F73-V77 WeakPolarHBondContact O-CG2 3.49Å; F73-V77 PolarHBondContact O-N 3.05Å; V77-G79 PolarHBondContact O-N 3.26Å; V77-V80 WeakPolarHBondContact O-CB 3.49Å; V77-V80 PolarHBondContact O-N 3.35Å; V77-T129 HydrophobicContact CB-CG2 4.44Å; V77-T129 HydrophobicContact CG1-CG2 3.98Å
78G91.5Very high94.7Very high0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-65.1-30176.300000112.6F74 V80 Y81 H82F74-G78 WeakPolarHBondContact O-CA 3.48Å; F74-G78 PolarHBondContact O-N 3.46Å; G78-V80 VanDerWaalsContact C-N 3.26Å; G78-V80 PolarHBondContact O-N 3.34Å; G78-Y81 PolarHBondContact O-N 2.95Å; G78-H82 PolarHBondContact O-N 2.94Å
79G92.6Very high94.6Very high0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-66-23.3175.600000114.3Y8 L75 A76 V77 Y81 P83Y8-G79 VanDerWaalsContact CD2-O 3.29Å; Y8-G79 WeakPolarHBondContact CD2-O 3.36Å; Y8-G79 VanDerWaalsContact CE2-C 3.43Å; L75-G79 VanDerWaalsContact O-CA 3.31Å; L75-G79 WeakPolarHBondContact O-CA 3.38Å; L75-G79 PolarHBondContact O-N 2.99Å; A76-G79 PolarHBondContact O-N 3.09Å; V77-G79 PolarHBondContact O-N 3.26Å; G79-Y81 VanDerWaalsContact C-N 3.29Å; G79-Y81 PolarHBondContact O-N 3.44Å; G79-P83 WeakPolarHBondContact O-CA 3.42Å; G79-P83 WeakPolarHBondContact O-CB 3.48Å; G79-P83 WeakPolarHBondContact O-CD 3.48Å
80V91.8Very high94.6Very high68 Ų6846 Ų4641%0.41224%0.24SC..Hα-helixtrans-62.5-40.7178.5173.20000110.6L4 Y8 A76 V77 G78L4-V80 HydrophobicContact CD2-CG2 4.47Å; Y8-V80 HydrophobicContact CE2-CG2 3.91Å; A76-V80 WeakPolarHBondContact O-CG2 3.44Å; A76-V80 PolarHBondContact O-N 3.2Å; V77-V80 WeakPolarHBondContact O-CB 3.49Å; V77-V80 PolarHBondContact O-N 3.35Å; G78-V80 VanDerWaalsContact C-N 3.26Å; G78-V80 PolarHBondContact O-N 3.34Å
81Y88.3Confident94.7Very high98 Ų9847.6 Ų47.638%0.38425%0.245SC..Hα-helixtrans-95.3-34.2-177.8-58.3-79.7000112.7G78 G79 P83 S132 H136G78-Y81 PolarHBondContact O-N 2.95Å; G79-Y81 VanDerWaalsContact C-N 3.29Å; G79-Y81 PolarHBondContact O-N 3.44Å; Y81-P83 VanDerWaalsContact C-CD 3.49Å; Y81-S132 WeakPolarHBondContact CB-OG 3.36Å; Y81-S132 VanDerWaalsContact CD2-OG 3.32Å; Y81-S132 WeakPolarHBondContact CD2-OG 3.36Å; Y81-H136 AromaticContact CE1-CD2 3.68Å; Y81-H136 AromaticContact CE1-NE2 2.95Å; Y81-H136 WeakPolarHBondContact CE1-NE2 3.3Å; Y81-H136 AromaticContact CZ-CD2 3.54Å; Y81-H136 AromaticContact CZ-CE1 3.97Å; Y81-H136 AromaticContact CZ-NE2 3.01Å; Y81-H136 PolarHBondContact OH-CD2 3.14Å; Y81-H136 PolarHBondContact OH-CE1 3.43Å; Y81-H136 PolarHBondContact OH-NE2 3.39Å
82H89.8Confident94.7Very high49 Ų4949 Ų4923%0.22726%0.257CS..  trans-130.461.4-174-57.1-55.5000111.8G78 R84 I85 A86G78-H82 PolarHBondContact O-N 2.94Å; H82-R84 PolarHBondContact O-N 3.27Å; H82-I85 HydrophobicContact CB-CB 4.31Å; H82-I85 HydrophobicContact CB-CD1 4.49Å; H82-I85 PolarHBondContact O-N 2.89Å; H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.38Å; H82-A86 PolarHBondContact O-N 2.97Å
83P92.1Very high94.7Very high14 Ų1446 Ų469%0.09124%0.241CC..Hα-helixtrans-59.5-42.5-16920.7-32.4000113.6E7 V11 G79 Y81 S87E7-P83 HydrophobicContact CB-CB 4.02Å; E7-P83 HydrophobicContact CB-CG 3.77Å; V11-P83 HydrophobicContact CG2-CB 3.93Å; G79-P83 WeakPolarHBondContact O-CA 3.42Å; G79-P83 WeakPolarHBondContact O-CB 3.48Å; G79-P83 WeakPolarHBondContact O-CD 3.48Å; Y81-P83 VanDerWaalsContact C-CD 3.49Å; P83-S87 VanDerWaalsContact O-CB 3.28Å; P83-S87 WeakPolarHBondContact O-CB 3.33Å; P83-S87 PolarHBondContact O-N 3.38Å; P83-S87 PolarHBondContact O-OG 3.43Å
84R93.8Very high94.7Very high167 Ų16741.3 Ų41.363%0.6322%0.221SC*.Hα-helixtrans-66.4-46.2179.5-61.4-179.7-175.9-171.5-3.3112.3E7 H82 S87 G88E7-R84 IonicContact OE1-CZ 3.38Å; E7-R84 IonicContact OE1-NE 3.12Å; E7-R84 PolarHBondContact OE1-NE 2.79Å; E7-R84 IonicContact OE1-NH2 2.6Å; E7-R84 PolarHBondContact OE1-NH2 3.2Å; E7-R84 WeakPolarHBondContact OE2-CG 3.49Å; E7-R84 IonicContact OE2-CZ 3.07Å; E7-R84 IonicContact OE2-NE 2.84Å; E7-R84 PolarHBondContact OE2-NE 2.97Å; E7-R84 VanDerWaalsContact OE2-NE 3.07Å; H82-R84 PolarHBondContact O-N 3.27Å; R84-S87 PolarHBondContact O-N 3.25Å; R84-G88 PolarHBondContact O-N 3.44Å
85I94.1Very high94.7Very high97 Ų9743.1 Ų43.150%0.49724%0.236SC..Hα-helixtrans-68.4-46.3-178.2-58.2175.4000110H82 S87 G88 L89 T128H82-I85 HydrophobicContact CB-CB 4.31Å; H82-I85 HydrophobicContact CB-CD1 4.49Å; H82-I85 PolarHBondContact O-N 2.89Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 2.96Å; I85-G88 PolarHBondContact O-N 2.85Å; I85-L89 HydrophobicContact CG2-CD1 3.82Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.17Å; I85-L89 WeakPolarHBondContact O-CG 3.18Å; I85-L89 PolarHBondContact O-N 3.47Å; I85-T128 HydrophobicContact CG2-CG2 3.91Å
86A95.5Very high94.6Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-59.6-42.417700000111.6L75 H82 G90 L125L75-A86 HydrophobicContact CD1-CB 4.38Å; L75-A86 WeakPolarHBondContact CD1-O 3.36Å; H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.38Å; H82-A86 PolarHBondContact O-N 2.97Å; A86-G90 PolarHBondContact O-N 2.95Å; A86-L125 HydrophobicContact CB-CD2 3.95Å
87S96.3Very high94.6Very high7 Ų742 Ų425%0.04922%0.223CC..Hα-helixtrans-64.4-44.6176.1-57.80000112.3F10 V11 P83 R84 I85 G90 L91F10-S87 VanDerWaalsContact CB-OG 3.25Å; F10-S87 WeakPolarHBondContact CB-OG 3.41Å; F10-S87 PolarHBondContact O-OG 3.16Å; V11-S87 WeakPolarHBondContact CA-OG 3.47Å; V11-S87 WeakPolarHBondContact CG2-OG 3.45Å; V11-S87 PolarHBondContact N-OG 2.95Å; V11-S87 VanDerWaalsContact N-OG 3.11Å; P83-S87 VanDerWaalsContact O-CB 3.28Å; P83-S87 WeakPolarHBondContact O-CB 3.33Å; P83-S87 PolarHBondContact O-N 3.38Å; P83-S87 PolarHBondContact O-OG 3.43Å; R84-S87 PolarHBondContact O-N 3.25Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 2.96Å; S87-G90 PolarHBondContact O-N 2.87Å; S87-L91 WeakPolarHBondContact O-CG 3.41Å; S87-L91 PolarHBondContact O-N 3.28Å
88G96.9Very high94.6Very high41 Ų4141.5 Ų41.542%0.42322%0.22SC..Hα-helixtrans-61.4-45.9177.300000112.9R84 I85 G90 L91 A92R84-G88 PolarHBondContact O-N 3.44Å; I85-G88 PolarHBondContact O-N 2.85Å; G88-G90 VanDerWaalsContact C-N 3.32Å; G88-L91 PolarHBondContact O-N 3.34Å; G88-A92 PolarHBondContact O-N 3.24Å
89L97Very high94.7Very high44 Ų4444.7 Ų44.723%0.2324%0.237CC..Hα-helixtrans-65.4-36.9174.3-67.3169.3000111.7I85 A92 W93 A121 L125 T128I85-L89 HydrophobicContact CG2-CD1 3.82Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.17Å; I85-L89 WeakPolarHBondContact O-CG 3.18Å; I85-L89 PolarHBondContact O-N 3.47Å; L89-A92 PolarHBondContact O-N 3.35Å; L89-W93 WeakPolarHBondContact O-CB 2.87Å; L89-W93 PolarHBondContact O-N 3.03Å; L89-A121 WeakPolarHBondContact O-CB 3.14Å; L89-L125 HydrophobicContact CB-CD1 4.46Å; L89-L125 HydrophobicContact CB-CD2 4.14Å; L89-L125 HydrophobicContact CB-CG 3.81Å; L89-L125 HydrophobicContact CD1-CG 4.44Å; L89-T128 HydrophobicContact CD1-CG2 3.99Å
90G97.2Very high94.7Very high0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-64.4-42.4176.300000113A86 S87 G88 W93 I94A86-G90 PolarHBondContact O-N 2.95Å; S87-G90 PolarHBondContact O-N 2.87Å; G88-G90 VanDerWaalsContact C-N 3.32Å; G90-W93 WeakPolarHBondContact O-CB 3.38Å; G90-W93 PolarHBondContact O-N 3.36Å; G90-I94 VanDerWaalsContact O-CG1 3.31Å; G90-I94 WeakPolarHBondContact O-CG1 3.33Å; G90-I94 PolarHBondContact O-N 3.38Å
91L97.5Very high94.7Very high90 Ų9042.7 Ų42.747%0.47122%0.222SC..Hα-helixtrans-63.8-43.5172.8-71.8174.7000111.9T14 S87 G88 W93 I94 V95T14-L91 HydrophobicContact CG2-CD2 4.5Å; T14-L91 HydrophobicContact CG2-CG 4.38Å; S87-L91 WeakPolarHBondContact O-CG 3.41Å; S87-L91 PolarHBondContact O-N 3.28Å; G88-L91 PolarHBondContact O-N 3.34Å; L91-W93 VanDerWaalsContact C-N 3.27Å; L91-W93 PolarHBondContact O-N 2.83Å; L91-I94 HydrophobicContact CD2-CD1 4.35Å; L91-I94 PolarHBondContact O-N 2.98Å; L91-V95 WeakPolarHBondContact O-CG2 3.22Å; L91-V95 PolarHBondContact O-N 3.03Å
92A96.9Very high94.8Very high31 Ų3143.2 Ų43.226%0.25622%0.224SC..Hα-helixtrans-58.6-41.1174.400000111.5G88 L89 V95 G96 L117 A121G88-A92 PolarHBondContact O-N 3.24Å; L89-A92 PolarHBondContact O-N 3.35Å; A92-V95 PolarHBondContact O-N 3.18Å; A92-G96 PolarHBondContact O-N 2.88Å; A92-L117 HydrophobicContact CB-CD2 4.05Å; A92-L117 WeakPolarHBondContact O-CD2 3.32Å; A92-A121 HydrophobicContact CB-CB 3.8Å
93W97.4Very high94.7Very high0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-61.6-46.2174.1-17687.6000112.6M21 T64 V67 Y68 F71 L89 G90 L91 V95 G96 R97 G118 A121M21-W93 HydrophobicContact CE-CE3 4.29Å; M21-W93 HydrophobicContact CE-CH2 3.87Å; M21-W93 HydrophobicContact CE-CZ3 3.43Å; M21-W93 VanDerWaalsContact CE-CZ3 3.43Å; T64-W93 HydrophobicContact CG2-CH2 4.22Å; V67-W93 HydrophobicContact CG1-CZ2 4.21Å; Y68-W93 AromaticContact CD2-CH2 3.9Å; Y68-W93 HydrophobicContact CD2-CH2 3.9Å; Y68-W93 HydrophobicContact CD2-CZ3 4.18Å; F71-W93 HydrophobicContact CB-CH2 4.22Å; F71-W93 HydrophobicContact CB-CZ2 4.04Å; F71-W93 HydrophobicContact CD1-CE3 4.02Å; F71-W93 HydrophobicContact CD1-CH2 4.12Å; F71-W93 AromaticContact CD1-CZ3 3.75Å; F71-W93 HydrophobicContact CD1-CZ3 3.75Å; F71-W93 HydrophobicContact CD2-CB 4.26Å; F71-W93 AromaticContact CD2-CD2 3.42Å; F71-W93 HydrophobicContact CD2-CD2 3.42Å; F71-W93 VanDerWaalsContact CD2-CD2 3.42Å; F71-W93 AromaticContact CD2-CE2 3.83Å; F71-W93 AromaticContact CD2-CE3 3.55Å; F71-W93 HydrophobicContact CD2-CE3 3.55Å; F71-W93 AromaticContact CD2-CG 3.75Å; F71-W93 HydrophobicContact CD2-CG 3.75Å; F71-W93 HydrophobicContact CD2-CH2 4.42Å; F71-W93 HydrophobicContact CD2-CZ2 4.32Å; F71-W93 HydrophobicContact CD2-CZ3 4.05Å; F71-W93 AromaticContact CE1-CE3 3.91Å; F71-W93 HydrophobicContact CE1-CE3 3.91Å; F71-W93 AromaticContact CE1-CZ3 3.87Å; F71-W93 HydrophobicContact CE1-CZ3 3.87Å; F71-W93 HydrophobicContact CE2-CB 3.83Å; F71-W93 AromaticContact CE2-CD2 3.58Å; F71-W93 HydrophobicContact CE2-CD2 3.58Å; F71-W93 AromaticContact CE2-CE3 3.4Å; F71-W93 HydrophobicContact CE2-CE3 3.4Å; F71-W93 VanDerWaalsContact CE2-CE3 3.4Å; F71-W93 AromaticContact CE2-CG 3.77Å; F71-W93 HydrophobicContact CE2-CG 3.77Å; F71-W93 HydrophobicContact CE2-CZ3 4.14Å; F71-W93 AromaticContact CG-CD2 3.97Å; F71-W93 HydrophobicContact CG-CD2 3.97Å; F71-W93 AromaticContact CG-CE3 3.84Å; F71-W93 HydrophobicContact CG-CE3 3.84Å; F71-W93 AromaticContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CZ2 4.09Å; F71-W93 AromaticContact CG-CZ3 3.84Å; F71-W93 HydrophobicContact CG-CZ3 3.84Å; F71-W93 HydrophobicContact CZ-CD2 4.26Å; F71-W93 AromaticContact CZ-CE3 3.6Å; F71-W93 HydrophobicContact CZ-CE3 3.6Å; F71-W93 HydrophobicContact CZ-CZ3 4.06Å; L89-W93 WeakPolarHBondContact O-CB 2.87Å; L89-W93 PolarHBondContact O-N 3.03Å; G90-W93 WeakPolarHBondContact O-CB 3.38Å; G90-W93 PolarHBondContact O-N 3.36Å; L91-W93 VanDerWaalsContact C-N 3.27Å; L91-W93 PolarHBondContact O-N 2.83Å; W93-V95 PolarHBondContact O-N 3.08Å; W93-G96 PolarHBondContact O-N 3.09Å; W93-R97 HydrophobicContact CD2-CG 3.86Å; W93-R97 HydrophobicContact CE3-CG 4.05Å; W93-R97 HydrophobicContact CH2-CG 3.88Å; W93-R97 HydrophobicContact CZ2-CG 3.68Å; W93-R97 VanDerWaalsContact CZ2-NE 3.27Å; W93-R97 HydrophobicContact CZ3-CG 4.07Å; W93-R97 WeakPolarHBondContact O-CG 3.48Å; W93-R97 PolarHBondContact O-N 3.23Å; W93-G118 VanDerWaalsContact CD1-O 3.23Å; W93-A121 HydrophobicContact CB-CB 4.16Å
94I97.6Very high94.5Very high19 Ų1941 Ų4110%0.09721%0.212CC..Hα-helixtrans-57.6-49.5177.5-68.6165000110.5T14 A17 M21 G90 L91 G96 R97 V98T14-I94 HydrophobicContact CG2-CD1 4.13Å; 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 3.31Å; G90-I94 WeakPolarHBondContact O-CG1 3.33Å; G90-I94 PolarHBondContact O-N 3.38Å; L91-I94 HydrophobicContact CD2-CD1 4.35Å; L91-I94 PolarHBondContact O-N 2.98Å; I94-G96 PolarHBondContact O-N 3.46Å; I94-R97 PolarHBondContact O-N 3.09Å; I94-V98 WeakPolarHBondContact O-CG2 3.37Å; I94-V98 PolarHBondContact O-N 3.48Å
95V96.6Very high94.2Very high83 Ų8335 Ų3550%0.50319%0.19SC..Hα-helixtrans-61.7-45.3177.7174.50000110.8L91 A92 W93 R97 V98 L99L91-V95 WeakPolarHBondContact O-CG2 3.22Å; L91-V95 PolarHBondContact O-N 3.03Å; A92-V95 PolarHBondContact O-N 3.18Å; W93-V95 PolarHBondContact O-N 3.08Å; V95-R97 VanDerWaalsContact C-N 3.27Å; V95-R97 PolarHBondContact O-N 2.81Å; V95-V98 PolarHBondContact O-N 3.3Å; V95-L99 HydrophobicContact CG1-CD1 4.16Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CG 3.32Å; V95-L99 PolarHBondContact O-N 2.88Å
96G95.1Very high93.8Very high1 Ų133.2 Ų33.21%0.0118%0.184CC..Hα-helixtrans-57.9-38.5176.100000112.9A92 W93 I94 L99 Y100 G115A92-G96 PolarHBondContact O-N 2.88Å; W93-G96 PolarHBondContact O-N 3.09Å; I94-G96 PolarHBondContact O-N 3.46Å; G96-L99 PolarHBondContact O-N 2.88Å; G96-Y100 VanDerWaalsContact O-CB 3.28Å; G96-Y100 WeakPolarHBondContact O-CB 3.4Å; G96-Y100 PolarHBondContact O-N 3.39Å; G96-G115 WeakPolarHBondContact O-CA 3.2Å
97R94.8Very high93.1Very high18 Ų1833.7 Ų33.77%0.06819%0.188CC..Hα-helixtrans-69-38.7176.2-75.1-66.5179.4-175.70.1113.2M21 N63 V67 W93 I94 V95 Y100 A101M21-R97 HydrophobicContact CE-CB 4Å; M21-R97 HydrophobicContact CE-CG 4.27Å; M21-R97 HydrophobicContact SD-CB 4Å; N63-R97 PolarHBondContact OD1-NH1 3.02Å; V67-R97 VanDerWaalsContact CB-NH2 3.26Å; V67-R97 VanDerWaalsContact CG1-NH2 3.32Å; W93-R97 HydrophobicContact CD2-CG 3.86Å; W93-R97 HydrophobicContact CE3-CG 4.05Å; W93-R97 HydrophobicContact CH2-CG 3.88Å; W93-R97 HydrophobicContact CZ2-CG 3.68Å; W93-R97 VanDerWaalsContact CZ2-NE 3.27Å; W93-R97 HydrophobicContact CZ3-CG 4.07Å; W93-R97 WeakPolarHBondContact O-CG 3.48Å; W93-R97 PolarHBondContact O-N 3.23Å; I94-R97 PolarHBondContact O-N 3.09Å; V95-R97 VanDerWaalsContact C-N 3.27Å; V95-R97 PolarHBondContact O-N 2.81Å; R97-Y100 WeakPolarHBondContact O-CB 3.48Å; R97-Y100 PolarHBondContact O-N 2.78Å; R97-A101 WeakPolarHBondContact O-CB 3.47Å; R97-A101 PolarHBondContact O-N 3.36Å
98V94.7Very high92.4Very high44 Ų4437.6 Ų37.627%0.26721%0.206SC..Hα-helixtrans-62.2-48.3173.2174.20000110.1M21 I94 V95 Y100 A101 Y102M21-V98 HydrophobicContact CG-CG2 3.79Å; I94-V98 WeakPolarHBondContact O-CG2 3.37Å; I94-V98 PolarHBondContact O-N 3.48Å; V95-V98 PolarHBondContact O-N 3.3Å; V98-Y100 PolarHBondContact O-N 3.13Å; V98-A101 PolarHBondContact O-N 3.28Å; V98-Y102 HydrophobicContact CG1-CD2 3.55Å; V98-Y102 HydrophobicContact CG1-CE2 3.49Å; V98-Y102 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y102 WeakPolarHBondContact O-CD2 3.28Å; V98-Y102 PolarHBondContact O-N 2.66Å
99L93.3Very high91.5Very high68 Ų6839 Ų3936%0.35621%0.207SC..Hα-helixtrans-62.2-40.1177-67.1175.6000112.8V95 G96 G103V95-L99 HydrophobicContact CG1-CD1 4.16Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CG 3.32Å; V95-L99 PolarHBondContact O-N 2.88Å; G96-L99 PolarHBondContact O-N 2.88Å; L99-G103 PolarHBondContact O-N 2.87Å
100Y91.9Very high90.6Very high25 Ų2540.9 Ų40.910%0.09822%0.224CC..Hα-helixtrans-58.1-50173.5177.7-92.2000111.5A60 N63 G96 R97 V98 G103 Y104 R112A60-Y100 HydrophobicContact CB-CE1 4.32Å; N63-Y100 HydrophobicContact CB-CE1 4.48Å; N63-Y100 PolarHBondContact OD1-OH 2.86Å; G96-Y100 VanDerWaalsContact O-CB 3.28Å; G96-Y100 WeakPolarHBondContact O-CB 3.4Å; G96-Y100 PolarHBondContact O-N 3.39Å; R97-Y100 WeakPolarHBondContact O-CB 3.48Å; R97-Y100 PolarHBondContact O-N 2.78Å; V98-Y100 PolarHBondContact O-N 3.13Å; Y100-G103 PolarHBondContact O-N 3.05Å; Y100-Y104 HydrophobicContact CD1-CD2 4.1Å; Y100-Y104 HydrophobicContact CD1-CE2 4.47Å; Y100-Y104 HydrophobicContact CD2-CE2 4.46Å; Y100-Y104 AromaticContact CE1-CD2 3.67Å; Y100-Y104 HydrophobicContact CE1-CD2 3.67Å; Y100-Y104 AromaticContact CE1-CE2 3.69Å; Y100-Y104 HydrophobicContact CE1-CE2 3.69Å; Y100-Y104 HydrophobicContact CE2-CD2 4.17Å; Y100-Y104 AromaticContact CE2-CE2 3.7Å; Y100-Y104 HydrophobicContact CE2-CE2 3.7Å; Y100-Y104 AromaticContact CZ-CD2 3.71Å; Y100-Y104 AromaticContact CZ-CE2 3.25Å; Y100-Y104 PolarHBondContact O-N 2.86Å; Y100-Y104 WeakPolarHBondContact OH-CE2 3.41Å; Y100-R112 HydrophobicContact CD2-CB 3.92Å; Y100-R112 HydrophobicContact CE2-CB 3.7Å; Y100-R112 HydrophobicContact CE2-CG 4.28Å
101A91.4Very high89.8Confident1 Ų144.3 Ų44.31%0.00824%0.239CC..Hα-helixtrans-64.5-48.9-178.100000111.5L25 A60 R97 V98 G103 Y104 Y105L25-A101 HydrophobicContact CD1-CB 4.23Å; L25-A101 HydrophobicContact CD2-CB 4.06Å; L25-A101 HydrophobicContact CG-CB 4.11Å; A60-A101 HydrophobicContact CB-CB 4.25Å; R97-A101 WeakPolarHBondContact O-CB 3.47Å; R97-A101 PolarHBondContact O-N 3.36Å; V98-A101 PolarHBondContact O-N 3.28Å; A101-G103 PolarHBondContact O-N 3.41Å; A101-Y104 CarbonylContact O-C 3.6Å; A101-Y104 WeakPolarHBondContact O-CA 3.2Å; A101-Y104 WeakPolarHBondContact O-CB 3.42Å; A101-Y104 PolarHBondContact O-N 3.46Å; A101-Y105 HydrophobicContact CB-CE1 4.1Å; A101-Y105 WeakPolarHBondContact O-CD1 3.37Å; A101-Y105 WeakPolarHBondContact O-CE1 3.24Å; A101-Y105 PolarHBondContact O-N 2.97Å
102Y90.6Very high88.7Confident108 Ų10846.5 Ų46.542%0.42424%0.241SC..Hα-helixtrans-62.5-30.6175.9-79.1-69.7000112.9H24 V98 Y105H24-Y102 AromaticContact NE2-CZ 3.9Å; H24-Y102 PolarHBondContact NE2-OH 2.93Å; H24-Y102 VanDerWaalsContact NE2-OH 3.09Å; V98-Y102 HydrophobicContact CG1-CD2 3.55Å; V98-Y102 HydrophobicContact CG1-CE2 3.49Å; V98-Y102 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y102 WeakPolarHBondContact O-CD2 3.28Å; V98-Y102 PolarHBondContact O-N 2.66Å; Y102-Y105 AromaticContact CD1-CD2 3.83Å; Y102-Y105 HydrophobicContact CD1-CD2 3.83Å; Y102-Y105 HydrophobicContact CD1-CE2 4.3Å; Y102-Y105 HydrophobicContact CE1-CD2 4.15Å; Y102-Y105 HydrophobicContact CE1-CE2 4.32Å; Y102-Y105 HydrophobicContact CG-CD2 4.47Å; Y102-Y105 PolarHBondContact O-N 3.39Å
103G88.9Confident87.9Confident0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-59.6-51.2168.400000111.8L99 Y100 A101 Y105 T106L99-G103 PolarHBondContact O-N 2.87Å; Y100-G103 PolarHBondContact O-N 3.05Å; A101-G103 PolarHBondContact O-N 3.41Å; G103-Y105 VanDerWaalsContact C-N 3.31Å; G103-Y105 PolarHBondContact O-N 3.38Å; G103-T106 WeakPolarHBondContact O-CB 3.3Å; G103-T106 WeakPolarHBondContact O-CG2 3.35Å; G103-T106 PolarHBondContact O-N 3.41Å; G103-T106 PolarHBondContact O-OG1 3.15Å
104Y86.4Confident87.1Confident17 Ų1756 Ų567%0.06728%0.284CS..Hα-helixtrans-62.2-34.3176.6-99.6-85.5000113.5C56 A60 Y100 A101 T106 G107 P109 R112C56-Y104 HydrophobicContact CB-CD1 3.81Å; C56-Y104 VanDerWaalsContact CB-O 3.26Å; C56-Y104 WeakPolarHBondContact CB-O 3.5Å; A60-Y104 HydrophobicContact CB-CD2 4.39Å; A60-Y104 HydrophobicContact CB-CG 4.09Å; Y100-Y104 HydrophobicContact CD1-CD2 4.1Å; Y100-Y104 HydrophobicContact CD1-CE2 4.47Å; Y100-Y104 HydrophobicContact CD2-CE2 4.46Å; Y100-Y104 AromaticContact CE1-CD2 3.67Å; Y100-Y104 HydrophobicContact CE1-CD2 3.67Å; Y100-Y104 AromaticContact CE1-CE2 3.69Å; Y100-Y104 HydrophobicContact CE1-CE2 3.69Å; Y100-Y104 HydrophobicContact CE2-CD2 4.17Å; Y100-Y104 AromaticContact CE2-CE2 3.7Å; Y100-Y104 HydrophobicContact CE2-CE2 3.7Å; Y100-Y104 AromaticContact CZ-CD2 3.71Å; Y100-Y104 AromaticContact CZ-CE2 3.25Å; Y100-Y104 PolarHBondContact O-N 2.86Å; Y100-Y104 WeakPolarHBondContact OH-CE2 3.41Å; A101-Y104 CarbonylContact O-C 3.6Å; A101-Y104 WeakPolarHBondContact O-CA 3.2Å; A101-Y104 WeakPolarHBondContact O-CB 3.42Å; A101-Y104 PolarHBondContact O-N 3.46Å; Y104-T106 PolarHBondContact O-N 3.33Å; Y104-G107 PolarHBondContact O-N 2.83Å; Y104-P109 HydrophobicContact CE1-CB 4.22Å; Y104-R112 HydrophobicContact CD2-CB 3.64Å; Y104-R112 HydrophobicContact CE2-CB 3.23Å; Y104-R112 HydrophobicContact CE2-CG 4.1Å; Y104-R112 WeakPolarHBondContact OH-CD 3.38Å
105Y88.5Confident86.3Confident40 Ų4055.4 Ų55.416%0.15728%0.281CS..THydrogen-bonded Turntrans-64.3-13.4-177.2-65.6-1.3000113.5N28 I57 A60 A101 Y102 G103 G107N28-Y105 HydrophobicContact CB-CE2 4.07Å; N28-Y105 WeakPolarHBondContact CB-OH 3.47Å; I57-Y105 HydrophobicContact CB-CD1 4Å; I57-Y105 HydrophobicContact CB-CE1 4.01Å; I57-Y105 HydrophobicContact CG1-CD1 3.46Å; I57-Y105 VanDerWaalsContact CG1-CD1 3.46Å; I57-Y105 HydrophobicContact CG1-CE1 3.96Å; I57-Y105 HydrophobicContact CG1-CG 4.01Å; I57-Y105 HydrophobicContact CG2-CD1 4.14Å; I57-Y105 HydrophobicContact CG2-CE1 3.71Å; A60-Y105 HydrophobicContact CB-CE1 4.24Å; A101-Y105 HydrophobicContact CB-CE1 4.1Å; A101-Y105 WeakPolarHBondContact O-CD1 3.37Å; A101-Y105 WeakPolarHBondContact O-CE1 3.24Å; A101-Y105 PolarHBondContact O-N 2.97Å; Y102-Y105 AromaticContact CD1-CD2 3.83Å; Y102-Y105 HydrophobicContact CD1-CD2 3.83Å; Y102-Y105 HydrophobicContact CD1-CE2 4.3Å; Y102-Y105 HydrophobicContact CE1-CD2 4.15Å; Y102-Y105 HydrophobicContact CE1-CE2 4.32Å; Y102-Y105 HydrophobicContact CG-CD2 4.47Å; Y102-Y105 PolarHBondContact O-N 3.39Å; G103-Y105 VanDerWaalsContact C-N 3.31Å; G103-Y105 PolarHBondContact O-N 3.38Å; Y105-G107 PolarHBondContact O-N 2.82Å
106T86.4Confident85.7Confident61 Ų6153.9 Ų53.937%0.37428%0.278SS..THydrogen-bonded Turntrans-72.1-10.4172.565.90000113.9G103 Y104 E108 K111G103-T106 WeakPolarHBondContact O-CB 3.3Å; G103-T106 WeakPolarHBondContact O-CG2 3.35Å; G103-T106 PolarHBondContact O-N 3.41Å; G103-T106 PolarHBondContact O-OG1 3.15Å; Y104-T106 PolarHBondContact O-N 3.33Å; T106-E108 VanDerWaalsContact C-N 3.26Å; T106-E108 PolarHBondContact O-N 3.08Å; T106-E108 PolarHBondContact OG1-N 3.43Å; T106-K111 HydrophobicContact CG2-CD 4.09Å; T106-K111 WeakPolarHBondContact OG1-CD 3.49Å
107G79.1Confident85.3Confident9 Ų958.2 Ų58.29%0.09330%0.3CS..SBendtrans84-5.6-174.700000114.2Y104 Y105 P109Y104-G107 PolarHBondContact O-N 2.83Å; Y105-G107 PolarHBondContact O-N 2.82Å; G107-P109 WeakPolarHBondContact O-CD 3.46Å
108E83Confident84.9Confident90 Ų9057.5 Ų57.542%0.42130%0.299SS..  trans-104.3110.8177.2-72.6175.6-131.400111.4T106 S110 K111T106-E108 VanDerWaalsContact C-N 3.26Å; T106-E108 PolarHBondContact O-N 3.08Å; T106-E108 PolarHBondContact OG1-N 3.43Å; E108-S110 PolarHBondContact O-N 3.05Å; E108-S110 VanDerWaalsContact O-N 3.14Å; E108-K111 HydrophobicContact CB-CD 4.11Å; E108-K111 HydrophobicContact CB-CG 4.19Å; E108-K111 PolarHBondContact O-N 3.35Å; E108-K111 IonicContact OE1-NZ 3.07Å; E108-K111 PolarHBondContact OE1-NZ 3.49Å; E108-K111 WeakPolarHBondContact OE2-CE 3.46Å; E108-K111 IonicContact OE2-NZ 3.94Å; E108-K111 PolarHBondContact OE2-NZ 3.34Å; E108-K111 VanDerWaalsContact OE2-NZ 3.08Å
109P76.4Confident84.6Confident70 Ų7059 Ų5946%0.45531%0.311SS..G310 helixtrans-61.3-25-178.7-25.634.9000114.5Y104 G107 K111 R112Y104-P109 HydrophobicContact CE1-CB 4.22Å; G107-P109 WeakPolarHBondContact O-CD 3.46Å; P109-K111 VanDerWaalsContact C-N 3.3Å; P109-K111 PolarHBondContact O-N 3.31Å; P109-R112 WeakPolarHBondContact O-CB 3.42Å; P109-R112 VanDerWaalsContact O-CD 3.27Å; P109-R112 WeakPolarHBondContact O-CD 3.27Å; P109-R112 WeakPolarHBondContact O-CG 3.49Å; P109-R112 PolarHBondContact O-N 3.28Å
110S79.4Confident84.5Confident84 Ų8461.5 Ų61.559%0.58732%0.323SS*.G310 helixtrans-65.5-30.9179.257.60000112.7E108 R112 S113E108-S110 PolarHBondContact O-N 3.05Å; E108-S110 VanDerWaalsContact O-N 3.14Å; S110-R112 PolarHBondContact O-N 2.81Å; S110-S113 PolarHBondContact O-N 3.49Å; S110-S113 PolarHBondContact O-OG 3.27Å
111K79.3Confident84.6Confident72 Ų7260.6 Ų60.631%0.31332%0.321SS..G310 helixtrans-70.3-1.1-179.4-70-179.4-179.7152.40113.8T106 E108 P109 S113 R114T106-K111 HydrophobicContact CG2-CD 4.09Å; T106-K111 WeakPolarHBondContact OG1-CD 3.49Å; E108-K111 HydrophobicContact CB-CD 4.11Å; E108-K111 HydrophobicContact CB-CG 4.19Å; E108-K111 PolarHBondContact O-N 3.35Å; E108-K111 IonicContact OE1-NZ 3.07Å; E108-K111 PolarHBondContact OE1-NZ 3.49Å; E108-K111 WeakPolarHBondContact OE2-CE 3.46Å; E108-K111 IonicContact OE2-NZ 3.94Å; E108-K111 PolarHBondContact OE2-NZ 3.34Å; E108-K111 VanDerWaalsContact OE2-NZ 3.08Å; P109-K111 VanDerWaalsContact C-N 3.3Å; P109-K111 PolarHBondContact O-N 3.31Å; K111-S113 PolarHBondContact O-N 2.86Å; K111-R114 WeakPolarHBondContact O-CD 3.23Å; K111-R114 VanDerWaalsContact O-CG 3.3Å; K111-R114 WeakPolarHBondContact O-CG 3.26Å; K111-R114 PolarHBondContact O-N 2.94Å
112R74.7Confident84.6Confident135 Ų13562 Ų6251%0.50933%0.328SS..G310 helixtrans-62-23.6171.277.8-175.1-177.8169.7-0.1114.2Y100 Y104 P109 S110 R114 G115Y100-R112 HydrophobicContact CD2-CB 3.92Å; Y100-R112 HydrophobicContact CE2-CB 3.7Å; Y100-R112 HydrophobicContact CE2-CG 4.28Å; Y104-R112 HydrophobicContact CD2-CB 3.64Å; Y104-R112 HydrophobicContact CE2-CB 3.23Å; Y104-R112 HydrophobicContact CE2-CG 4.1Å; Y104-R112 WeakPolarHBondContact OH-CD 3.38Å; P109-R112 WeakPolarHBondContact O-CB 3.42Å; P109-R112 VanDerWaalsContact O-CD 3.27Å; P109-R112 WeakPolarHBondContact O-CD 3.27Å; P109-R112 WeakPolarHBondContact O-CG 3.49Å; P109-R112 PolarHBondContact O-N 3.28Å; S110-R112 PolarHBondContact O-N 2.81Å; R112-R114 PolarHBondContact O-N 3.25Å; R112-R114 VanDerWaalsContact O-N 3.08Å; R112-G115 PolarHBondContact O-N 3.42Å
113S80.1Confident84.8Confident85 Ų8563 Ų6359%0.59434%0.34SS*.G310 helixtrans-57.5-22.6179.557.40000113.1S110 K111 G115 A116S110-S113 PolarHBondContact O-N 3.49Å; S110-S113 PolarHBondContact O-OG 3.27Å; K111-S113 PolarHBondContact O-N 2.86Å; S113-G115 PolarHBondContact O-N 3.44Å; S113-G115 VanDerWaalsContact O-N 3.08Å; S113-A116 VanDerWaalsContact O-CB 3.26Å; S113-A116 WeakPolarHBondContact O-CB 3.15Å; S113-A116 PolarHBondContact O-N 3.13Å
114R81Confident85.1Confident147 Ų14764.2 Ų64.256%0.55535%0.352SS*.G310 helixtrans-56.4-23.4172.3-62.5175.773.4172.23.7113.2K111 R112K111-R114 WeakPolarHBondContact O-CD 3.23Å; K111-R114 VanDerWaalsContact O-CG 3.3Å; K111-R114 WeakPolarHBondContact O-CG 3.26Å; K111-R114 PolarHBondContact O-N 2.94Å; R112-R114 PolarHBondContact O-N 3.25Å; R112-R114 VanDerWaalsContact O-N 3.08Å
115G79.9Confident85.4Confident5 Ų563.4 Ų63.45%0.05235%0.349CS..G310 helixtrans-91.77.8176.200000115.6G96 R112 S113 L117 G118G96-G115 WeakPolarHBondContact O-CA 3.2Å; R112-G115 PolarHBondContact O-N 3.42Å; S113-G115 PolarHBondContact O-N 3.44Å; S113-G115 VanDerWaalsContact O-N 3.08Å; G115-L117 PolarHBondContact O-N 2.85Å; G115-L117 VanDerWaalsContact O-N 3.13Å; G115-G118 PolarHBondContact O-N 2.86Å
116A84.3Confident85.7Confident52 Ų5263.6 Ų63.643%0.4336%0.355SS..Hα-helixtrans-55.5-32.6-176.700000113.3S113 G118 S119 I120S113-A116 VanDerWaalsContact O-CB 3.26Å; S113-A116 WeakPolarHBondContact O-CB 3.15Å; S113-A116 PolarHBondContact O-N 3.13Å; A116-G118 PolarHBondContact O-N 3.32Å; A116-S119 WeakPolarHBondContact O-CB 3.33Å; A116-S119 PolarHBondContact O-N 3.21Å; A116-S119 VanDerWaalsContact O-N 3.08Å; A116-I120 PolarHBondContact O-N 3.44Å; A116-I120 VanDerWaalsContact O-N 3.15Å
117L87Confident86Confident92 Ų9262.2 Ų62.248%0.48235%0.352SS..Hα-helixtrans-54.9-37.2172.9179.4141.1000112.3A92 G115 I120 A121A92-L117 HydrophobicContact CB-CD2 4.05Å; A92-L117 WeakPolarHBondContact O-CD2 3.32Å; G115-L117 PolarHBondContact O-N 2.85Å; G115-L117 VanDerWaalsContact O-N 3.13Å; L117-I120 PolarHBondContact O-N 3.26Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 2.98Å
118G86.5Confident86.6Confident3 Ų362.4 Ų62.43%0.03135%0.352CS..Hα-helixtrans-65.2-40.3176.800000112.5W93 G115 A116 A121 L122W93-G118 VanDerWaalsContact CD1-O 3.23Å; G115-G118 PolarHBondContact O-N 2.86Å; A116-G118 PolarHBondContact O-N 3.32Å; G118-A121 PolarHBondContact O-N 3.29Å; G118-L122 PolarHBondContact O-N 2.95Å
119S88.1Confident87Confident74 Ų7459 Ų5952%0.51734%0.337SS..Hα-helixtrans-64.4-42.3176.6-57.90000112A116 A121 L122 L123A116-S119 WeakPolarHBondContact O-CB 3.33Å; A116-S119 PolarHBondContact O-N 3.21Å; A116-S119 VanDerWaalsContact O-N 3.08Å; S119-A121 VanDerWaalsContact C-N 3.35Å; S119-L122 PolarHBondContact O-N 2.97Å; S119-L123 WeakPolarHBondContact O-CG 2.96Å; S119-L123 PolarHBondContact O-N 3.33Å
120I92.1Very high87.8Confident122 Ų12258.5 Ų58.563%0.62633%0.333SS*.Hα-helixtrans-63.4-43.8176.6-63.1168.5000110.2A116 L117 L122 L123 G124A116-I120 PolarHBondContact O-N 3.44Å; A116-I120 VanDerWaalsContact O-N 3.15Å; L117-I120 PolarHBondContact O-N 3.26Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 3.18Å; I120-L123 PolarHBondContact O-N 2.78Å; I120-G124 PolarHBondContact O-N 3.28Å
121A93.1Very high88.3Confident6 Ų657.6 Ų57.65%0.0533%0.326CS..Hα-helixtrans-62.5-39.3177.800000112.5L89 A92 W93 L117 G118 S119 G124 L125L89-A121 WeakPolarHBondContact O-CB 3.14Å; A92-A121 HydrophobicContact CB-CB 3.8Å; W93-A121 HydrophobicContact CB-CB 4.16Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 2.98Å; G118-A121 PolarHBondContact O-N 3.29Å; S119-A121 VanDerWaalsContact C-N 3.35Å; A121-G124 PolarHBondContact O-N 3.31Å; A121-L125 PolarHBondContact O-N 3.35Å
122L92.9Very high88.7Confident31 Ų3154.3 Ų54.316%0.16231%0.312CS..Hα-helixtrans-63.2-45.8174.4-175.162.3000111.6V67 F71 G118 S119 I120 G124 L125 V126V67-L122 HydrophobicContact CG1-CD2 3.4Å; V67-L122 VanDerWaalsContact CG1-CD2 3.4Å; F71-L122 HydrophobicContact CB-CD1 4.18Å; F71-L122 HydrophobicContact CD2-CD1 4.32Å; G118-L122 PolarHBondContact O-N 2.95Å; S119-L122 PolarHBondContact O-N 2.97Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 3.18Å; L122-G124 PolarHBondContact O-N 2.91Å; L122-L125 WeakPolarHBondContact O-CB 3.48Å; L122-L125 PolarHBondContact O-N 2.96Å; L122-V126 WeakPolarHBondContact O-CG2 3.47Å; L122-V126 PolarHBondContact O-N 3.24Å
123L94.4Very high89.5Confident128 Ų12850 Ų5067%0.6731%0.305SS*.Hα-helixtrans-60.1-37.4175.8-70.2174000111.5S119 I120 V126 G127S119-L123 WeakPolarHBondContact O-CG 2.96Å; S119-L123 PolarHBondContact O-N 3.33Å; I120-L123 PolarHBondContact O-N 2.78Å; L123-V126 PolarHBondContact O-N 3.42Å; L123-G127 PolarHBondContact O-N 3.17Å
124G93.6Very high90Very high25 Ų2549.8 Ų49.826%0.25829%0.294SS..Hα-helixtrans-57.7-46170.700000112.6I120 A121 L122 G127 T128I120-G124 PolarHBondContact O-N 3.28Å; A121-G124 PolarHBondContact O-N 3.31Å; L122-G124 PolarHBondContact O-N 2.91Å; G124-G127 CarbonylContact O-C 3.59Å; G124-G127 WeakPolarHBondContact O-CA 3.42Å; G124-G127 PolarHBondContact O-N 2.86Å; G124-G127 VanDerWaalsContact O-N 3.13Å; G124-T128 PolarHBondContact O-N 3.11Å
125L92.7Very high90.3Very high0 Ų045.7 Ų45.70%028%0.281CS..Hα-helixtrans-64.1-37.4177-83169000113F71 F74 L75 A86 L89 A121 L122 G127 T128 T129F71-L125 HydrophobicContact CD2-CD1 3.78Å; F71-L125 HydrophobicContact CE2-CD1 3.65Å; F74-L125 HydrophobicContact CB-CB 4.13Å; L75-L125 HydrophobicContact CD1-CD2 4.39Å; A86-L125 HydrophobicContact CB-CD2 3.95Å; L89-L125 HydrophobicContact CB-CD1 4.46Å; L89-L125 HydrophobicContact CB-CD2 4.14Å; L89-L125 HydrophobicContact CB-CG 3.81Å; L89-L125 HydrophobicContact CD1-CG 4.44Å; A121-L125 PolarHBondContact O-N 3.35Å; L122-L125 WeakPolarHBondContact O-CB 3.48Å; L122-L125 PolarHBondContact O-N 2.96Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-T128 PolarHBondContact O-OG1 3.01Å; L125-T129 PolarHBondContact O-N 2.89Å; L125-T129 PolarHBondContact O-OG1 3.02Å; L125-T129 VanDerWaalsContact O-OG1 3.11Å
126V95.3Very high90.5Very high45 Ų4551.4 Ų51.427%0.27331%0.306SS..Hα-helixtrans-62.4-45.9171.4-178.10000109.5F74 L122 L123 T128 T129 V130F74-V126 HydrophobicContact CD1-CG2 4.47Å; F74-V126 HydrophobicContact CD2-CG2 3.74Å; F74-V126 HydrophobicContact CE1-CG1 4.26Å; F74-V126 HydrophobicContact CE1-CG2 4.36Å; F74-V126 HydrophobicContact CE2-CG2 3.64Å; F74-V126 HydrophobicContact CG-CG2 4.19Å; F74-V126 HydrophobicContact CZ-CG1 4.23Å; F74-V126 HydrophobicContact CZ-CG2 3.96Å; L122-V126 WeakPolarHBondContact O-CG2 3.47Å; L122-V126 PolarHBondContact O-N 3.24Å; L123-V126 PolarHBondContact O-N 3.42Å; V126-T128 PolarHBondContact O-N 3.43Å; V126-T129 WeakPolarHBondContact O-CB 3.26Å; V126-T129 PolarHBondContact O-N 2.91Å; V126-T129 VanDerWaalsContact O-N 3.12Å; V126-V130 HydrophobicContact CG1-CG2 4.26Å; V126-V130 WeakPolarHBondContact O-CG2 3.46Å; V126-V130 PolarHBondContact O-N 3.03Å
127G93.1Very high90.9Very high31 Ų3153.8 Ų53.832%0.3231%0.311SS..Hα-helixtrans-57.2-44.1177.700000113.2L123 G124 L125 T129 V130 C131L123-G127 PolarHBondContact O-N 3.17Å; G124-G127 CarbonylContact O-C 3.59Å; G124-G127 WeakPolarHBondContact O-CA 3.42Å; G124-G127 PolarHBondContact O-N 2.86Å; G124-G127 VanDerWaalsContact O-N 3.13Å; L125-G127 VanDerWaalsContact C-N 3.31Å; G127-T129 VanDerWaalsContact C-N 3.29Å; G127-T129 PolarHBondContact O-N 3.39Å; G127-V130 PolarHBondContact O-N 3.03Å; G127-C131 WeakPolarHBondContact O-CB 3.35Å; G127-C131 PolarHBondContact O-N 3.26Å; G127-C131 PolarHBondContact O-SG 3.08Å
128T91.7Very high90.8Very high14 Ų1452.2 Ų52.29%0.08632%0.317CS..Hα-helixtrans-60.7-40.9176.5600000111.5I85 L89 G124 L125 V126 C131 S132I85-T128 HydrophobicContact CG2-CG2 3.91Å; L89-T128 HydrophobicContact CD1-CG2 3.99Å; G124-T128 PolarHBondContact O-N 3.11Å; L125-T128 PolarHBondContact O-OG1 3.01Å; V126-T128 PolarHBondContact O-N 3.43Å; T128-C131 PolarHBondContact O-N 2.97Å; T128-S132 PolarHBondContact O-N 2.97Å; T128-S132 PolarHBondContact O-OG 3.16Å
129T92.3Very high90.8Very high17 Ų1760.9 Ų60.910%0.10435%0.349CS..Hα-helixtrans-67.8-41.6178.8-55.10000112.1F74 V77 L125 V126 G127 S132 A133F74-T129 HydrophobicContact CD1-CG2 3.94Å; F74-T129 WeakPolarHBondContact CD1-OG1 3.48Å; F74-T129 HydrophobicContact CE1-CG2 4.31Å; F74-T129 PolarHBondContact O-OG1 2.97Å; V77-T129 HydrophobicContact CB-CG2 4.44Å; V77-T129 HydrophobicContact CG1-CG2 3.98Å; L125-T129 PolarHBondContact O-N 2.89Å; L125-T129 PolarHBondContact O-OG1 3.02Å; L125-T129 VanDerWaalsContact O-OG1 3.11Å; V126-T129 WeakPolarHBondContact O-CB 3.26Å; V126-T129 PolarHBondContact O-N 2.91Å; V126-T129 VanDerWaalsContact O-N 3.12Å; G127-T129 VanDerWaalsContact C-N 3.29Å; G127-T129 PolarHBondContact O-N 3.39Å; T129-S132 PolarHBondContact O-N 3.46Å; T129-A133 PolarHBondContact O-N 2.98Å
130V92.8Very high90.3Very high61 Ų6160.8 Ų60.837%0.3735%0.345SS..Hα-helixtrans-63.7-42.8175.61730000111V126 G127 S132 A133 F134V126-V130 HydrophobicContact CG1-CG2 4.26Å; V126-V130 WeakPolarHBondContact O-CG2 3.46Å; V126-V130 PolarHBondContact O-N 3.03Å; G127-V130 PolarHBondContact O-N 3.03Å; V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 3.28Å; V130-A133 WeakPolarHBondContact O-CB 3.49Å; V130-A133 PolarHBondContact O-N 2.91Å; V130-A133 VanDerWaalsContact O-N 3.16Å; V130-F134 HydrophobicContact CG1-CD2 4.1Å; V130-F134 HydrophobicContact CG1-CE1 4.14Å; V130-F134 HydrophobicContact CG1-CE2 3.58Å; V130-F134 HydrophobicContact CG1-CZ 3.61Å; V130-F134 WeakPolarHBondContact O-CG 3.21Å; V130-F134 PolarHBondContact O-N 3.25Å
131C89.3Confident88.9Confident65 Ų6564.4 Ų64.444%0.43936%0.356SS..Hα-helixtrans-59.7-44174.5-73.10000111.8G127 T128 A133 F134 Q135G127-C131 WeakPolarHBondContact O-CB 3.35Å; G127-C131 PolarHBondContact O-N 3.26Å; G127-C131 PolarHBondContact O-SG 3.08Å; T128-C131 PolarHBondContact O-N 2.97Å; C131-A133 VanDerWaalsContact C-N 3.33Å; C131-A133 PolarHBondContact O-N 3.5Å; C131-F134 PolarHBondContact O-N 3.45Å; C131-Q135 WeakPolarHBondContact O-CG 3.48Å; C131-Q135 PolarHBondContact O-N 3.36Å
132S88.7Confident87.3Confident3 Ų368.2 Ų68.22%0.02138%0.383CS..Hα-helixtrans-61.5-41174.5-57.20000112Y81 T128 T129 V130 F134 Q135 H136Y81-S132 WeakPolarHBondContact CB-OG 3.36Å; Y81-S132 VanDerWaalsContact CD2-OG 3.32Å; Y81-S132 WeakPolarHBondContact CD2-OG 3.36Å; T128-S132 PolarHBondContact O-N 2.97Å; T128-S132 PolarHBondContact O-OG 3.16Å; T129-S132 PolarHBondContact O-N 3.46Å; V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 3.28Å; S132-F134 PolarHBondContact O-N 3.08Å; S132-Q135 PolarHBondContact O-N 3.44Å; S132-H136 PolarHBondContact O-CD2 3.39Å; S132-H136 PolarHBondContact O-N 2.94Å
133A90.8Very high85.4Confident45 Ų4570.4 Ų70.437%0.37241%0.413SS..Hα-helixtrans-61.6-44.1175.400000112T129 V130 C131 Q135 H136 L137T129-A133 PolarHBondContact O-N 2.98Å; V130-A133 WeakPolarHBondContact O-CB 3.49Å; V130-A133 PolarHBondContact O-N 2.91Å; V130-A133 VanDerWaalsContact O-N 3.16Å; C131-A133 VanDerWaalsContact C-N 3.33Å; C131-A133 PolarHBondContact O-N 3.5Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.29Å; A133-H136 WeakPolarHBondContact O-CB 3.49Å; A133-H136 PolarHBondContact O-N 3.34Å; A133-L137 WeakPolarHBondContact O-CG 2.99Å; A133-L137 PolarHBondContact O-N 2.95Å
134F90.7Very high83.3Confident80 Ų8072.9 Ų72.935%0.35143%0.426SS..Hα-helixtrans-65.4-34.7177-66.9-19000113.5V130 C131 S132 L137 G138 W139 V140V130-F134 HydrophobicContact CG1-CD2 4.1Å; V130-F134 HydrophobicContact CG1-CE1 4.14Å; V130-F134 HydrophobicContact CG1-CE2 3.58Å; V130-F134 HydrophobicContact CG1-CZ 3.61Å; V130-F134 WeakPolarHBondContact O-CG 3.21Å; V130-F134 PolarHBondContact O-N 3.25Å; C131-F134 PolarHBondContact O-N 3.45Å; S132-F134 PolarHBondContact O-N 3.08Å; F134-L137 PolarHBondContact O-N 3.18Å; F134-G138 PolarHBondContact O-N 2.66Å; F134-W139 HydrophobicContact CB-CB 4.48Å; F134-W139 AromaticContact CD1-CE3 3.46Å; F134-W139 HydrophobicContact CD1-CE3 3.46Å; F134-W139 VanDerWaalsContact CD1-CE3 3.46Å; F134-W139 AromaticContact CD1-CZ3 3.86Å; F134-W139 HydrophobicContact CD1-CZ3 3.86Å; F134-W139 AromaticContact CE1-CE3 3.72Å; F134-W139 HydrophobicContact CE1-CE3 3.72Å; F134-W139 AromaticContact CE1-CZ3 3.73Å; F134-W139 HydrophobicContact CE1-CZ3 3.73Å; F134-W139 HydrophobicContact CG-CE3 4.33Å; F134-W139 PolarHBondContact O-N 3.21Å; F134-V140 HydrophobicContact CB-CB 4.44Å; F134-V140 HydrophobicContact CB-CG2 3.83Å; F134-V140 PolarHBondContact O-N 3.04Å
135Q86.3Confident80.9Confident60 Ų6075 Ų7528%0.2845%0.447SS..Hα-helixtrans-63.9-42.9171.7-72.1170.26.400111C131 S132 A133 L137 G138C131-Q135 WeakPolarHBondContact O-CG 3.48Å; C131-Q135 PolarHBondContact O-N 3.36Å; S132-Q135 PolarHBondContact O-N 3.44Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.29Å; Q135-L137 PolarHBondContact O-N 3.42Å; Q135-G138 PolarHBondContact O-N 3.36Å; Q135-G138 VanDerWaalsContact O-N 3.12Å
136H85.7Confident78.3Confident125 Ų12581.2 Ų81.258%0.57949%0.491SS*.Hα-helixtrans-64.9-36.4177-92.9-83.4000113.8Y81 S132 A133 G138Y81-H136 AromaticContact CE1-CD2 3.68Å; Y81-H136 AromaticContact CE1-NE2 2.95Å; Y81-H136 WeakPolarHBondContact CE1-NE2 3.3Å; Y81-H136 AromaticContact CZ-CD2 3.54Å; Y81-H136 AromaticContact CZ-CE1 3.97Å; Y81-H136 AromaticContact CZ-NE2 3.01Å; Y81-H136 PolarHBondContact OH-CD2 3.14Å; Y81-H136 PolarHBondContact OH-CE1 3.43Å; Y81-H136 PolarHBondContact OH-NE2 3.39Å; S132-H136 PolarHBondContact O-CD2 3.39Å; S132-H136 PolarHBondContact O-N 2.94Å; A133-H136 WeakPolarHBondContact O-CB 3.49Å; A133-H136 PolarHBondContact O-N 3.34Å; H136-G138 PolarHBondContact O-N 3.4Å
137L91.1Very high75.7Confident102 Ų10282.2 Ų82.253%0.53451%0.51SS..THydrogen-bonded Turntrans-78.1-3.3176.1-64.7172.8000112.9A133 F134 Q135 W139A133-L137 WeakPolarHBondContact O-CG 2.99Å; A133-L137 PolarHBondContact O-N 2.95Å; F134-L137 PolarHBondContact O-N 3.18Å; Q135-L137 PolarHBondContact O-N 3.42Å; L137-W139 HydrophobicContact CB-CD2 3.88Å; L137-W139 HydrophobicContact CB-CE3 4.41Å; L137-W139 HydrophobicContact CB-CG 4.04Å; L137-W139 HydrophobicContact CB-CZ2 4.41Å; L137-W139 HydrophobicContact CD1-CD2 4.17Å; L137-W139 HydrophobicContact CD1-CE3 3.96Å; L137-W139 HydrophobicContact CD1-CH2 3.66Å; L137-W139 HydrophobicContact CD1-CZ2 3.87Å; L137-W139 HydrophobicContact CD1-CZ3 3.71Å; L137-W139 VanDerWaalsContact O-CD1 3.32Å; L137-W139 PolarHBondContact O-N 3.49Å
138G85.6Confident73.1Confident60 Ų6086 Ų8662%0.61953%0.531SS*.THydrogen-bonded Turntrans71.211.3-178.600000114.2F134 Q135 H136 V140F134-G138 PolarHBondContact O-N 2.66Å; Q135-G138 PolarHBondContact O-N 3.36Å; Q135-G138 VanDerWaalsContact O-N 3.12Å; H136-G138 PolarHBondContact O-N 3.4Å; G138-V140 VanDerWaalsContact C-N 3.3Å
139W86.6Confident70.7Confident185 Ų18595 Ų9570%0.70157%0.569SS**SBendtrans-76.1-21.2180-63.5-10.1000112.5F134 L137F134-W139 HydrophobicContact CB-CB 4.48Å; F134-W139 AromaticContact CD1-CE3 3.46Å; F134-W139 HydrophobicContact CD1-CE3 3.46Å; F134-W139 VanDerWaalsContact CD1-CE3 3.46Å; F134-W139 AromaticContact CD1-CZ3 3.86Å; F134-W139 HydrophobicContact CD1-CZ3 3.86Å; F134-W139 AromaticContact CE1-CE3 3.72Å; F134-W139 HydrophobicContact CE1-CE3 3.72Å; F134-W139 AromaticContact CE1-CZ3 3.73Å; F134-W139 HydrophobicContact CE1-CZ3 3.73Å; F134-W139 HydrophobicContact CG-CE3 4.33Å; F134-W139 PolarHBondContact O-N 3.21Å; L137-W139 HydrophobicContact CB-CD2 3.88Å; L137-W139 HydrophobicContact CB-CE3 4.41Å; L137-W139 HydrophobicContact CB-CG 4.04Å; L137-W139 HydrophobicContact CB-CZ2 4.41Å; L137-W139 HydrophobicContact CD1-CD2 4.17Å; L137-W139 HydrophobicContact CD1-CE3 3.96Å; L137-W139 HydrophobicContact CD1-CH2 3.66Å; L137-W139 HydrophobicContact CD1-CZ2 3.87Å; L137-W139 HydrophobicContact CD1-CZ3 3.71Å; L137-W139 VanDerWaalsContact O-CD1 3.32Å; L137-W139 PolarHBondContact O-N 3.49Å
140V77.1Confident68.1Low71 Ų71100 Ų10043%0.4360%0.603SS.*SBendtrans-123.5124.2175.6176.40000108.7F134 G138F134-V140 HydrophobicContact CB-CB 4.44Å; F134-V140 HydrophobicContact CB-CG2 3.83Å; F134-V140 PolarHBondContact O-N 3.04Å; G138-V140 VanDerWaalsContact C-N 3.3Å
141K63.7Low65.6Low198 Ų198102.3 Ų102.386%0.86162%0.621SS**  trans-72.7126.9170.7-74.5-176.4177.9179.50109.1G143K141-G143 VanDerWaalsContact C-N 3.3Å; K141-G143 PolarHBondContact O-N 3.3Å
142S58.8Low63.3Low87 Ų87111.7 Ų111.761%0.60866%0.658SS**  trans-62.990.7169.4-62.50000109.7L144S142-L144 PolarHBondContact O-N 3.25Å
143G53.9Low62Low77 Ų77117.1 Ų117.179%0.79469%0.69SS**SBendtrans-75.647.7177.600000113.4K141K141-G143 VanDerWaalsContact C-N 3.3Å; K141-G143 PolarHBondContact O-N 3.3Å
144L50.3Low60.5Low180 Ų180120.9 Ų120.994%0.94271%0.707SS**SBendtrans-149.265.5172-97.9151000108S142S142-L144 PolarHBondContact O-N 3.25Å
145G41.7Very low58.8Low68 Ų68123.2 Ų123.270%0.70173%0.726SS**  trans179.442.5-176.600000113.3G147G145-G147 PolarHBondContact O-N 3.3Å
146S39.2Very low57.2Low132 Ų132126.9 Ų126.992%0.92375%0.753SS**  trans-75.370.4157.6179.30000108.2
147G39.7Very low55.4Low66 Ų66127 Ų12768%0.6876%0.764SS**  trans-87.7109.4169.100000109.5G145G145-G147 PolarHBondContact O-N 3.3Å
148S40.4Very low53.1Low109 Ų109128.7 Ų128.776%0.76278%0.779SS**  trans49.8103.3157.3-62.80000118.4C150S148-C150 PolarHBondContact O-N 3.08Å
149K40.5Very low50.7Low204 Ų204133.6 Ų133.689%0.88779%0.79SS**  trans-54.2106.2141-69.2-178.3178.1-177.90107.1C151K149-C151 PolarHBondContact O-N 2.67Å
150C37.3Very low48Very low121 Ų121129.6 Ų129.682%0.81880%0.797SS**  trans-75.7105.4165.9-152.40000105.9S148S148-C150 PolarHBondContact O-N 3.08Å
151C39.5Very low45.5Very low110 Ų110134.5 Ų134.574%0.74383%0.828SS**  trans-67.7121.5159.2-65.70000107.1K149K149-C151 PolarHBondContact O-N 2.67Å
152H41.7Very low43.9Very low262 Ų262128.7 Ų128.7100%1.21383%0.825SS**  trans-1630139.6-99.9-65.3000109.1

Retrieved 152 of 152 residues in 51.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).