A0A3Q0KB98_SCHMA Loading...

SNARE complex protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KB98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 88 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
1M84.7Confident91.3Very high183 Ų183122 Ų12290%0.90160%0.596SS**  0-46.80-158174.579.100112.9F3 T4 L5M1-F3 PolarHBondContact O-N 2.89Å; M1-T4 WeakPolarHBondContact CA-OG1 3.47Å; M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 3.05Å; M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 PolarHBondContact O-N 3.44Å; M1-L5 VanDerWaalsContact O-N 3.07Å
2L90.7Very high91.6Very high147 Ų147117.9 Ų117.977%0.7759%0.586SS**Hα-helixtrans-62.2-43.2178.2-168.971.5000112.9T4 L5 F6L2-T4 PolarHBondContact O-N 3.48Å; L2-L5 PolarHBondContact O-N 3.3Å; L2-F6 WeakPolarHBondContact O-CB 3.31Å; L2-F6 PolarHBondContact O-N 3.48Å
3F93.1Very high91.7Very high157 Ų157117.9 Ų117.969%0.68959%0.588SS**Hα-helixtrans-60.3-45.2177.1179.1-103.1000112.6M1 L5 F6 V7M1-F3 PolarHBondContact O-N 2.89Å; F3-L5 PolarHBondContact O-N 2.64Å; F3-F6 PolarHBondContact O-N 3.1Å; F3-V7 HydrophobicContact CD1-CG2 4.38Å; F3-V7 HydrophobicContact CE1-CG2 3.95Å; F3-V7 HydrophobicContact CE2-CG2 4.13Å; F3-V7 HydrophobicContact CZ-CG2 3.82Å; F3-V7 WeakPolarHBondContact O-CG2 3.38Å; F3-V7 PolarHBondContact O-N 3.21Å
4T92.6Very high91.8Very high68 Ų68114.8 Ų114.842%0.41757%0.571SS.*Hα-helixtrans-62.5-44.7177.248.40000110.9M1 L2 F6 V7 F8M1-T4 WeakPolarHBondContact CA-OG1 3.47Å; M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 3.05Å; L2-T4 PolarHBondContact O-N 3.48Å; T4-F6 VanDerWaalsContact C-N 3.34Å; T4-F6 PolarHBondContact O-N 2.95Å; T4-V7 PolarHBondContact O-N 3.31Å; T4-F8 WeakPolarHBondContact O-CB 3.36Å; T4-F8 WeakPolarHBondContact O-CD2 3.39Å; T4-F8 PolarHBondContact O-N 2.92Å
5L91.2Very high92.1Very high100 Ų100114.7 Ų114.752%0.52456%0.562SS.*Hα-helixtrans-60.5-41.3175.5-77.6166.4000112.5M1 L2 F3 F8 L9M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 PolarHBondContact O-N 3.44Å; M1-L5 VanDerWaalsContact O-N 3.07Å; L2-L5 PolarHBondContact O-N 3.3Å; F3-L5 PolarHBondContact O-N 2.64Å; L5-F8 PolarHBondContact O-N 2.96Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.27Å
6F92.5Very high92.3Very high129 Ų129110.9 Ų110.957%0.56656%0.555SS**Hα-helixtrans-62-46.9176177.9-97.1000111.8L2 F3 T4 L9 H10L2-F6 WeakPolarHBondContact O-CB 3.31Å; L2-F6 PolarHBondContact O-N 3.48Å; F3-F6 PolarHBondContact O-N 3.1Å; T4-F6 VanDerWaalsContact C-N 3.34Å; T4-F6 PolarHBondContact O-N 2.95Å; F6-L9 PolarHBondContact O-N 3.27Å; F6-H10 WeakPolarHBondContact O-CB 3.34Å; F6-H10 PolarHBondContact O-N 2.87Å
7V92.4Very high92.5Very high61 Ų61111.9 Ų111.937%0.3756%0.556SS.*Hα-helixtrans-61.8-47.7176.5173.10000110.7F3 T4 L9 H10 F11F3-V7 HydrophobicContact CD1-CG2 4.38Å; F3-V7 HydrophobicContact CE1-CG2 3.95Å; F3-V7 HydrophobicContact CE2-CG2 4.13Å; F3-V7 HydrophobicContact CZ-CG2 3.82Å; F3-V7 WeakPolarHBondContact O-CG2 3.38Å; F3-V7 PolarHBondContact O-N 3.21Å; T4-V7 PolarHBondContact O-N 3.31Å; V7-L9 PolarHBondContact O-N 3.44Å; V7-H10 PolarHBondContact O-N 3.5Å; V7-F11 WeakPolarHBondContact O-CB 3.45Å; V7-F11 PolarHBondContact O-N 2.96Å
8F92.5Very high92.7Very high161 Ų161110.1 Ų110.171%0.70655%0.548SS*.Hα-helixtrans-60.2-32.4178.1-82.2-65.4000112.9T4 L5 P12T4-F8 WeakPolarHBondContact O-CB 3.36Å; T4-F8 WeakPolarHBondContact O-CD2 3.39Å; T4-F8 PolarHBondContact O-N 2.92Å; L5-F8 PolarHBondContact O-N 2.96Å; F8-P12 WeakPolarHBondContact O-CD 3.44Å
9L90.2Very high92.8Very high136 Ų136109.9 Ų109.971%0.71255%0.548SS*.Hα-helixtrans-79.4-40.8177.8-169.869.8000112.7L5 F6 V7L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.27Å; F6-L9 PolarHBondContact O-N 3.27Å; V7-L9 PolarHBondContact O-N 3.44Å
10H92.4Very high93Very high85 Ų85109.5 Ų109.539%0.39454%0.544SS..Hα-helixtrans-81.7-35-173.4-169.8-86.3000113.2F6 V7 L13 Q14F6-H10 WeakPolarHBondContact O-CB 3.34Å; F6-H10 PolarHBondContact O-N 2.87Å; V7-H10 PolarHBondContact O-N 3.5Å; H10-L13 PolarHBondContact O-N 2.8Å; H10-Q14 PolarHBondContact O-N 2.78Å
11F92.4Very high93.2Very high115 Ų115108.2 Ų108.250%0.50454%0.543SS..Hα-helixtrans-49.1-60.2-179.6-169.6-95.9000111.9V7 L13 Q14 Y15V7-F11 WeakPolarHBondContact O-CB 3.45Å; V7-F11 PolarHBondContact O-N 2.96Å; F11-L13 VanDerWaalsContact C-N 3.29Å; F11-L13 PolarHBondContact O-N 3.44Å; F11-Q14 PolarHBondContact O-N 3.42Å; F11-Q14 VanDerWaalsContact O-N 3.12Å; F11-Y15 AromaticContact CD1-CD2 3.57Å; F11-Y15 HydrophobicContact CD1-CD2 3.57Å; F11-Y15 AromaticContact CD1-CE2 3.23Å; F11-Y15 HydrophobicContact CD1-CE2 3.23Å; F11-Y15 HydrophobicContact CD2-CD2 4.42Å; F11-Y15 AromaticContact CD2-CE2 3.47Å; F11-Y15 HydrophobicContact CD2-CE2 3.47Å; F11-Y15 VanDerWaalsContact CD2-CE2 3.47Å; F11-Y15 AromaticContact CE1-CD2 3.63Å; F11-Y15 HydrophobicContact CE1-CD2 3.63Å; F11-Y15 AromaticContact CE1-CE2 3.02Å; F11-Y15 HydrophobicContact CE1-CE2 3.02Å; F11-Y15 AromaticContact CE1-CZ 3.63Å; F11-Y15 HydrophobicContact CE2-CD2 4.47Å; F11-Y15 AromaticContact CE2-CE2 3.28Å; F11-Y15 HydrophobicContact CE2-CE2 3.28Å; F11-Y15 AromaticContact CE2-CZ 3.58Å; F11-Y15 WeakPolarHBondContact CE2-OH 3.48Å; F11-Y15 AromaticContact CG-CD2 4Å; F11-Y15 HydrophobicContact CG-CD2 4Å; F11-Y15 AromaticContact CG-CE2 3.45Å; F11-Y15 HydrophobicContact CG-CE2 3.45Å; F11-Y15 VanDerWaalsContact CG-CE2 3.45Å; F11-Y15 HydrophobicContact CZ-CD2 4.11Å; F11-Y15 HydrophobicContact CZ-CE1 4.49Å; F11-Y15 AromaticContact CZ-CE2 3.06Å; F11-Y15 HydrophobicContact CZ-CE2 3.06Å; F11-Y15 AromaticContact CZ-CZ 3.26Å; F11-Y15 WeakPolarHBondContact CZ-OH 3.32Å; F11-Y15 WeakPolarHBondContact O-CD2 3.26Å; F11-Y15 PolarHBondContact O-N 3.35Å; F11-Y15 VanDerWaalsContact O-N 3.12Å
12P94.2Very high93.7Very high73 Ų73104.3 Ų104.347%0.47452%0.522SS..Hα-helixtrans-61.7-32.8-177.825.8-36000113.9F8 Y15 A16F8-P12 WeakPolarHBondContact O-CD 3.44Å; P12-Y15 PolarHBondContact O-N 3.3Å; P12-A16 WeakPolarHBondContact O-CB 3.03Å; P12-A16 PolarHBondContact O-N 3.27Å
13L93.1Very high94Very high118 Ų11899.9 Ų99.962%0.61850%0.503SS*.Hα-helixtrans-66.7-40.3177.7-175.163000111.5H10 F11 A16 K17H10-L13 PolarHBondContact O-N 2.8Å; F11-L13 VanDerWaalsContact C-N 3.29Å; F11-L13 PolarHBondContact O-N 3.44Å; L13-A16 PolarHBondContact O-N 3.49Å; L13-K17 PolarHBondContact O-N 3.07Å; L13-K17 VanDerWaalsContact O-N 3.1Å
14Q93.7Very high94.2Very high74 Ų7498.3 Ų98.335%0.34650%0.496SS..Hα-helixtrans-64.6-45.6175.2-172.961.258.300111.1H10 F11 A16 K17 D18H10-Q14 PolarHBondContact O-N 2.78Å; F11-Q14 PolarHBondContact O-N 3.42Å; F11-Q14 VanDerWaalsContact O-N 3.12Å; Q14-A16 VanDerWaalsContact C-N 3.33Å; Q14-A16 PolarHBondContact O-N 3.03Å; Q14-K17 PolarHBondContact O-N 3.46Å; Q14-D18 PolarHBondContact NE2-OD1 3.13Å; Q14-D18 PolarHBondContact NE2-OD2 3.4Å; Q14-D18 VanDerWaalsContact O-CG 3.23Å; Q14-D18 PolarHBondContact O-N 3.43Å
15Y95.3Very high94.4Very high113 Ų11397.8 Ų97.844%0.44350%0.495SS..Hα-helixtrans-59.3-42.8175.7-74.8-76.4000112.5F11 P12 K17 D18 I19F11-Y15 AromaticContact CD1-CD2 3.57Å; F11-Y15 HydrophobicContact CD1-CD2 3.57Å; F11-Y15 AromaticContact CD1-CE2 3.23Å; F11-Y15 HydrophobicContact CD1-CE2 3.23Å; F11-Y15 HydrophobicContact CD2-CD2 4.42Å; F11-Y15 AromaticContact CD2-CE2 3.47Å; F11-Y15 HydrophobicContact CD2-CE2 3.47Å; F11-Y15 VanDerWaalsContact CD2-CE2 3.47Å; F11-Y15 AromaticContact CE1-CD2 3.63Å; F11-Y15 HydrophobicContact CE1-CD2 3.63Å; F11-Y15 AromaticContact CE1-CE2 3.02Å; F11-Y15 HydrophobicContact CE1-CE2 3.02Å; F11-Y15 AromaticContact CE1-CZ 3.63Å; F11-Y15 HydrophobicContact CE2-CD2 4.47Å; F11-Y15 AromaticContact CE2-CE2 3.28Å; F11-Y15 HydrophobicContact CE2-CE2 3.28Å; F11-Y15 AromaticContact CE2-CZ 3.58Å; F11-Y15 WeakPolarHBondContact CE2-OH 3.48Å; F11-Y15 AromaticContact CG-CD2 4Å; F11-Y15 HydrophobicContact CG-CD2 4Å; F11-Y15 AromaticContact CG-CE2 3.45Å; F11-Y15 HydrophobicContact CG-CE2 3.45Å; F11-Y15 VanDerWaalsContact CG-CE2 3.45Å; F11-Y15 HydrophobicContact CZ-CD2 4.11Å; F11-Y15 HydrophobicContact CZ-CE1 4.49Å; F11-Y15 AromaticContact CZ-CE2 3.06Å; F11-Y15 HydrophobicContact CZ-CE2 3.06Å; F11-Y15 AromaticContact CZ-CZ 3.26Å; F11-Y15 WeakPolarHBondContact CZ-OH 3.32Å; F11-Y15 WeakPolarHBondContact O-CD2 3.26Å; F11-Y15 PolarHBondContact O-N 3.35Å; F11-Y15 VanDerWaalsContact O-N 3.12Å; P12-Y15 PolarHBondContact O-N 3.3Å; Y15-K17 VanDerWaalsContact C-N 3.3Å; Y15-K17 PolarHBondContact O-N 2.98Å; Y15-D18 PolarHBondContact O-N 3.46Å; Y15-I19 WeakPolarHBondContact O-CB 3.16Å; Y15-I19 WeakPolarHBondContact O-CD1 3.04Å; Y15-I19 WeakPolarHBondContact O-CG1 3.44Å; Y15-I19 PolarHBondContact O-N 2.95Å
16A95.2Very high94.6Very high55 Ų5597.9 Ų97.946%0.45549%0.493SS..Hα-helixtrans-60.3-42.2177.900000111.5P12 L13 Q14 E20P12-A16 WeakPolarHBondContact O-CB 3.03Å; P12-A16 PolarHBondContact O-N 3.27Å; L13-A16 PolarHBondContact O-N 3.49Å; Q14-A16 VanDerWaalsContact C-N 3.33Å; Q14-A16 PolarHBondContact O-N 3.03Å; A16-E20 WeakPolarHBondContact O-CB 3.43Å; A16-E20 PolarHBondContact O-N 3.29Å
17K95.7Very high94.8Very high128 Ų12896.4 Ų96.456%0.55749%0.491SS*.Hα-helixtrans-68-39177.6-173.6177177.6-179.40112.9L13 Q14 Y15 E20 T21L13-K17 PolarHBondContact O-N 3.07Å; L13-K17 VanDerWaalsContact O-N 3.1Å; Q14-K17 PolarHBondContact O-N 3.46Å; Y15-K17 VanDerWaalsContact C-N 3.3Å; Y15-K17 PolarHBondContact O-N 2.98Å; K17-E20 PolarHBondContact O-N 2.89Å; K17-T21 WeakPolarHBondContact O-CB 3.49Å; K17-T21 PolarHBondContact O-N 2.99Å; K17-T21 PolarHBondContact O-OG1 3.32Å
18D96Very high94.9Very high78 Ų7899.9 Ų99.942%0.41750%0.501SS..Hα-helixtrans-67.2-44177.9-66.2-18.6000110.5Q14 Y15 E20 T21 E22Q14-D18 PolarHBondContact NE2-OD1 3.13Å; Q14-D18 PolarHBondContact NE2-OD2 3.4Å; Q14-D18 VanDerWaalsContact O-CG 3.23Å; Q14-D18 PolarHBondContact O-N 3.43Å; Y15-D18 PolarHBondContact O-N 3.46Å; D18-E20 VanDerWaalsContact C-N 3.34Å; D18-E20 PolarHBondContact O-N 2.84Å; D18-T21 PolarHBondContact O-N 2.91Å; D18-E22 WeakPolarHBondContact O-CB 3.17Å; D18-E22 PolarHBondContact O-N 2.9Å
19I96Very high95.1Very high107 Ų10797.8 Ų97.855%0.54949%0.492SS..Hα-helixtrans-61.2-42.9174.5-68.2165.2000110.9Y15 T21 E22 S23Y15-I19 WeakPolarHBondContact O-CB 3.16Å; Y15-I19 WeakPolarHBondContact O-CD1 3.04Å; Y15-I19 WeakPolarHBondContact O-CG1 3.44Å; Y15-I19 PolarHBondContact O-N 2.95Å; I19-T21 PolarHBondContact O-N 3.42Å; I19-E22 PolarHBondContact O-N 2.98Å; I19-S23 VanDerWaalsContact O-CB 3.25Å; I19-S23 WeakPolarHBondContact O-CB 3.46Å; I19-S23 PolarHBondContact O-N 3.17Å; I19-S23 PolarHBondContact O-OG 3.38Å
20E96.5Very high95.4Very high101 Ų10196.2 Ų96.247%0.47248%0.484SS..Hα-helixtrans-61.6-44.6177.1-174.4-171.2167.700111.5A16 K17 D18 S23 K24A16-E20 WeakPolarHBondContact O-CB 3.43Å; A16-E20 PolarHBondContact O-N 3.29Å; K17-E20 PolarHBondContact O-N 2.89Å; D18-E20 VanDerWaalsContact C-N 3.34Å; D18-E20 PolarHBondContact O-N 2.84Å; E20-S23 PolarHBondContact O-N 3.27Å; E20-K24 HydrophobicContact CG-CD 4.44Å; E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 3.12Å; E20-K24 VanDerWaalsContact OE1-CE 3.31Å; E20-K24 WeakPolarHBondContact OE1-CE 3.41Å; E20-K24 IonicContact OE1-NZ 2.64Å; E20-K24 PolarHBondContact OE1-NZ 3.08Å
21T96.5Very high95.5Very high84 Ų8496.8 Ų96.852%0.51549%0.49SS..Hα-helixtrans-66.1-44.1-179.2-55.80000111K17 D18 I19 K24 S25K17-T21 WeakPolarHBondContact O-CB 3.49Å; K17-T21 PolarHBondContact O-N 2.99Å; K17-T21 PolarHBondContact O-OG1 3.32Å; D18-T21 PolarHBondContact O-N 2.91Å; I19-T21 PolarHBondContact O-N 3.42Å; T21-K24 PolarHBondContact O-N 3.23Å; T21-S25 PolarHBondContact O-N 3.23Å
22E96Very high95.7Very high101 Ų10196 Ų9647%0.47249%0.488SS..Hα-helixtrans-68.2-38.3177.5-174.857.7-155.100112D18 I19 K24 S25 Q26D18-E22 WeakPolarHBondContact O-CB 3.17Å; D18-E22 PolarHBondContact O-N 2.9Å; I19-E22 PolarHBondContact O-N 2.98Å; E22-K24 VanDerWaalsContact C-N 3.3Å; E22-K24 PolarHBondContact O-N 3.44Å; E22-S25 WeakPolarHBondContact CA-OG 3.25Å; E22-S25 PolarHBondContact O-N 3.45Å; E22-S25 PolarHBondContact O-OG 3.11Å; E22-S25 PolarHBondContact OE2-OG 3.35Å; E22-Q26 WeakPolarHBondContact O-CB 3.48Å; E22-Q26 VanDerWaalsContact O-CG 3.27Å; E22-Q26 WeakPolarHBondContact O-CG 3.39Å; E22-Q26 PolarHBondContact O-N 3.09Å; E22-Q26 PolarHBondContact OE1-NE2 3.42Å
23S96.6Very high95.7Very high53 Ų5396.2 Ų96.237%0.37148%0.484SS..Hα-helixtrans-64.2-38.1175.1-58.60000111.3I19 E20 N27I19-S23 VanDerWaalsContact O-CB 3.25Å; I19-S23 WeakPolarHBondContact O-CB 3.46Å; I19-S23 PolarHBondContact O-N 3.17Å; I19-S23 PolarHBondContact O-OG 3.38Å; E20-S23 PolarHBondContact O-N 3.27Å; S23-N27 WeakPolarHBondContact O-CB 3.45Å; S23-N27 PolarHBondContact O-N 3.18Å; S23-N27 PolarHBondContact O-ND2 3.46Å
24K96.8Very high95.8Very high125 Ų12596.2 Ų96.254%0.54348%0.481SS..Hα-helixtrans-68-39.9175.3-74.5175.7-174.8174.30112.3E20 T21 E22 K28E20-K24 HydrophobicContact CG-CD 4.44Å; E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 3.12Å; E20-K24 VanDerWaalsContact OE1-CE 3.31Å; E20-K24 WeakPolarHBondContact OE1-CE 3.41Å; E20-K24 IonicContact OE1-NZ 2.64Å; E20-K24 PolarHBondContact OE1-NZ 3.08Å; T21-K24 PolarHBondContact O-N 3.23Å; E22-K24 VanDerWaalsContact C-N 3.3Å; E22-K24 PolarHBondContact O-N 3.44Å; K24-K28 PolarHBondContact O-N 3.34Å; K24-K28 VanDerWaalsContact O-N 3.13Å
25S96.3Very high95.8Very high56 Ų5697.7 Ų97.739%0.39249%0.491SS..Hα-helixtrans-65.2-42.7176.870.30000111.1T21 E22 K28 F29T21-S25 PolarHBondContact O-N 3.23Å; E22-S25 WeakPolarHBondContact CA-OG 3.25Å; E22-S25 PolarHBondContact O-N 3.45Å; E22-S25 PolarHBondContact O-OG 3.11Å; E22-S25 PolarHBondContact OE2-OG 3.35Å; S25-K28 PolarHBondContact O-N 3.34Å; S25-F29 PolarHBondContact O-N 2.86Å
26Q96.6Very high95.7Very high102 Ų10296 Ų9648%0.47750%0.495SS..Hα-helixtrans-65.8-41177.3-71.717913.100112.4E22 K28 F29 L30E22-Q26 WeakPolarHBondContact O-CB 3.48Å; E22-Q26 VanDerWaalsContact O-CG 3.27Å; E22-Q26 WeakPolarHBondContact O-CG 3.39Å; E22-Q26 PolarHBondContact O-N 3.09Å; E22-Q26 PolarHBondContact OE1-NE2 3.42Å; Q26-K28 VanDerWaalsContact C-N 3.33Å; Q26-K28 PolarHBondContact O-N 3.2Å; Q26-F29 WeakPolarHBondContact O-CB 3.22Å; Q26-F29 PolarHBondContact O-N 2.97Å; Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 3.4Å
27N95.5Very high95.7Very high98 Ų98100 Ų10052%0.52450%0.503SS..Hα-helixtrans-60.7-44.3174.9-75.5-13.6000111.6S23 F29 L30 D31S23-N27 WeakPolarHBondContact O-CB 3.45Å; S23-N27 PolarHBondContact O-N 3.18Å; S23-N27 PolarHBondContact O-ND2 3.46Å; N27-F29 VanDerWaalsContact C-N 3.3Å; N27-F29 PolarHBondContact O-N 2.71Å; N27-L30 WeakPolarHBondContact O-CB 3.27Å; N27-L30 PolarHBondContact O-N 2.96Å; N27-D31 PolarHBondContact O-N 2.81Å; N27-D31 VanDerWaalsContact O-N 3.09Å
28K96Very high95.7Very high134 Ų13497.5 Ų97.558%0.58350%0.496SS*.Hα-helixtrans-61.1-40.8175-172.1-174176-162.30111.8K24 S25 Q26 L30 D31 E32K24-K28 PolarHBondContact O-N 3.34Å; K24-K28 VanDerWaalsContact O-N 3.13Å; S25-K28 PolarHBondContact O-N 3.34Å; Q26-K28 VanDerWaalsContact C-N 3.33Å; Q26-K28 PolarHBondContact O-N 3.2Å; K28-L30 VanDerWaalsContact C-N 3.35Å; K28-D31 PolarHBondContact O-N 3.5Å; K28-E32 VanDerWaalsContact CE-OE1 3.26Å; K28-E32 WeakPolarHBondContact CE-OE1 3.05Å; K28-E32 IonicContact NZ-OE1 3.77Å; K28-E32 WeakPolarHBondContact O-CG 2.94Å; K28-E32 PolarHBondContact O-N 3.43Å; K28-E32 VanDerWaalsContact O-N 3.08Å
29F95.5Very high95.5Very high118 Ų11898.4 Ų98.452%0.51850%0.501SS..Hα-helixtrans-65.2-36.7176.6178.3-113.1000112.7S25 Q26 N27 E32 I33S25-F29 PolarHBondContact O-N 2.86Å; Q26-F29 WeakPolarHBondContact O-CB 3.22Å; Q26-F29 PolarHBondContact O-N 2.97Å; N27-F29 VanDerWaalsContact C-N 3.3Å; N27-F29 PolarHBondContact O-N 2.71Å; F29-E32 PolarHBondContact O-N 2.85Å; F29-I33 HydrophobicContact CD1-CD1 3.83Å; F29-I33 HydrophobicContact CE1-CD1 3.22Å; F29-I33 HydrophobicContact CE1-CG1 4.15Å; F29-I33 HydrophobicContact CE2-CD1 4.03Å; F29-I33 HydrophobicContact CE2-CG1 4.16Å; F29-I33 HydrophobicContact CG-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.35Å; F29-I33 HydrophobicContact CZ-CG1 3.98Å; F29-I33 WeakPolarHBondContact O-CG1 3.49Å; F29-I33 PolarHBondContact O-N 3.47Å
30L96.2Very high95.4Very high102 Ų10296 Ų9653%0.53450%0.496SS..Hα-helixtrans-63.3-42.1174.2-73.2172.6000111.7Q26 N27 K28 I33 Q34Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 3.4Å; N27-L30 WeakPolarHBondContact O-CB 3.27Å; N27-L30 PolarHBondContact O-N 2.96Å; K28-L30 VanDerWaalsContact C-N 3.35Å; L30-I33 PolarHBondContact O-N 3.1Å; L30-Q34 WeakPolarHBondContact O-CB 3.34Å; L30-Q34 PolarHBondContact O-N 3.22Å
31D95.7Very high95.3Very high98 Ų9893.7 Ų93.752%0.52449%0.491SS..Hα-helixtrans-61.1-44.6174.8-64.6-27.1000110.9N27 K28 I33 Q34 D35N27-D31 PolarHBondContact O-N 2.81Å; N27-D31 VanDerWaalsContact O-N 3.09Å; K28-D31 PolarHBondContact O-N 3.5Å; D31-I33 PolarHBondContact O-N 3.5Å; D31-Q34 PolarHBondContact O-N 2.93Å; D31-D35 PolarHBondContact O-N 2.81Å; D31-D35 VanDerWaalsContact O-N 3.11Å
32E95.2Very high95.1Very high99 Ų9994.2 Ų94.246%0.46349%0.491SS..Hα-helixtrans-63.5-38176.6-71175.2-166.800112.9K28 F29 S36K28-E32 VanDerWaalsContact CE-OE1 3.26Å; K28-E32 WeakPolarHBondContact CE-OE1 3.05Å; K28-E32 IonicContact NZ-OE1 3.77Å; K28-E32 WeakPolarHBondContact O-CG 2.94Å; K28-E32 PolarHBondContact O-N 3.43Å; K28-E32 VanDerWaalsContact O-N 3.08Å; F29-E32 PolarHBondContact O-N 2.85Å; E32-S36 WeakPolarHBondContact O-CB 3.45Å; E32-S36 PolarHBondContact O-N 3.24Å; E32-S36 PolarHBondContact O-OG 2.88Å
33I94.4Very high95Very high77 Ų7795 Ų9540%0.39550%0.498SS..Hα-helixtrans-66.7-42.3173.9-77.2-179.4000111F29 L30 D31 D35 S36 F37F29-I33 HydrophobicContact CD1-CD1 3.83Å; F29-I33 HydrophobicContact CE1-CD1 3.22Å; F29-I33 HydrophobicContact CE1-CG1 4.15Å; F29-I33 HydrophobicContact CE2-CD1 4.03Å; F29-I33 HydrophobicContact CE2-CG1 4.16Å; F29-I33 HydrophobicContact CG-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.35Å; F29-I33 HydrophobicContact CZ-CG1 3.98Å; F29-I33 WeakPolarHBondContact O-CG1 3.49Å; F29-I33 PolarHBondContact O-N 3.47Å; L30-I33 PolarHBondContact O-N 3.1Å; D31-I33 PolarHBondContact O-N 3.5Å; I33-D35 PolarHBondContact O-N 2.9Å; I33-S36 PolarHBondContact O-N 2.89Å; I33-F37 WeakPolarHBondContact O-CB 3.42Å; I33-F37 PolarHBondContact O-N 3.35Å
34Q95.2Very high94.7Very high118 Ų11897.3 Ų97.355%0.55151%0.506SS*.Hα-helixtrans-59.8-48.4-179.4-178.6175.1-24.500110.6L30 D31 S36 F37 D38L30-Q34 WeakPolarHBondContact O-CB 3.34Å; L30-Q34 PolarHBondContact O-N 3.22Å; D31-Q34 PolarHBondContact O-N 2.93Å; Q34-S36 VanDerWaalsContact C-N 3.3Å; Q34-S36 PolarHBondContact O-N 2.8Å; Q34-F37 PolarHBondContact O-N 3.17Å; Q34-D38 WeakPolarHBondContact O-CB 3.45Å; Q34-D38 PolarHBondContact O-N 3.5Å
35D93.7Very high94.3Very high104 Ų10494.6 Ų94.656%0.55650%0.503SS*.Hα-helixtrans-59.4-41.4176.4-75.1-16000111.9D31 I33 N39D31-D35 PolarHBondContact O-N 2.81Å; D31-D35 VanDerWaalsContact O-N 3.11Å; I33-D35 PolarHBondContact O-N 2.9Å; D35-N39 WeakPolarHBondContact O-CB 3.47Å; D35-N39 VanDerWaalsContact O-CG 3.24Å; D35-N39 PolarHBondContact O-N 2.91Å; D35-N39 VanDerWaalsContact O-N 3.1Å; D35-N39 PolarHBondContact O-ND2 3.09Å
36S94Very high93.9Very high77 Ų7796 Ų9654%0.53851%0.506SS..Hα-helixtrans-67.8-40.6179-61.70000112.2E32 I33 Q34 A40E32-S36 WeakPolarHBondContact O-CB 3.45Å; E32-S36 PolarHBondContact O-N 3.24Å; E32-S36 PolarHBondContact O-OG 2.88Å; I33-S36 PolarHBondContact O-N 2.89Å; Q34-S36 VanDerWaalsContact C-N 3.3Å; Q34-S36 PolarHBondContact O-N 2.8Å; S36-A40 WeakPolarHBondContact O-CB 3.32Å; S36-A40 PolarHBondContact O-N 2.88Å
37F95.4Very high93.4Very high141 Ų14194.5 Ų94.562%0.61850%0.504SS*.Hα-helixtrans-68.8-42178.6-175.8-96.6000111.6I33 Q34 N39 A40 S41I33-F37 WeakPolarHBondContact O-CB 3.42Å; I33-F37 PolarHBondContact O-N 3.35Å; Q34-F37 PolarHBondContact O-N 3.17Å; F37-N39 VanDerWaalsContact C-N 3.33Å; F37-N39 PolarHBondContact O-N 2.87Å; F37-A40 PolarHBondContact O-N 3.36Å; F37-S41 WeakPolarHBondContact O-CB 3.18Å; F37-S41 PolarHBondContact O-N 3.45Å
38D94.4Very high92.9Very high74 Ų7493.6 Ų93.640%0.39650%0.498SS..Hα-helixtrans-63.2-40.9176.2-76.5-18.9000111.3Q34 S41 N42Q34-D38 WeakPolarHBondContact O-CB 3.45Å; Q34-D38 PolarHBondContact O-N 3.5Å; D38-S41 PolarHBondContact O-N 3.31Å; D38-N42 WeakPolarHBondContact O-CB 3.29Å; D38-N42 PolarHBondContact O-N 3.48Å; D38-N42 PolarHBondContact O-ND2 3.28Å; D38-N42 VanDerWaalsContact O-ND2 3.09Å
39N93.6Very high92.2Very high98 Ų9893.5 Ų93.552%0.52450%0.499SS..Hα-helixtrans-62.5-47.8173.1-75.3-41000112.2D35 F37 S41 N42 L43D35-N39 WeakPolarHBondContact O-CB 3.47Å; D35-N39 VanDerWaalsContact O-CG 3.24Å; D35-N39 PolarHBondContact O-N 2.91Å; D35-N39 VanDerWaalsContact O-N 3.1Å; D35-N39 PolarHBondContact O-ND2 3.09Å; F37-N39 VanDerWaalsContact C-N 3.33Å; F37-N39 PolarHBondContact O-N 2.87Å; N39-S41 VanDerWaalsContact C-N 3.35Å; N39-S41 PolarHBondContact O-N 3.2Å; N39-N42 PolarHBondContact O-N 2.76Å; N39-L43 VanDerWaalsContact O-CG 3.29Å; N39-L43 WeakPolarHBondContact O-CG 3.4Å; N39-L43 PolarHBondContact O-N 2.95Å
40A94.2Very high91.5Very high55 Ų5597.4 Ų97.446%0.45551%0.511SS..Hα-helixtrans-62.8-41177.300000112.1S36 F37 L43 L44S36-A40 WeakPolarHBondContact O-CB 3.32Å; S36-A40 PolarHBondContact O-N 2.88Å; F37-A40 PolarHBondContact O-N 3.36Å; A40-L43 PolarHBondContact O-N 3.45Å; A40-L44 VanDerWaalsContact O-CB 3.25Å; A40-L44 WeakPolarHBondContact O-CB 3.21Å; A40-L44 PolarHBondContact O-N 3.46Å
41S93.1Very high90.7Very high53 Ų5397.7 Ų97.737%0.37152%0.516SS..Hα-helixtrans-63.5-43.7176.3-177.30000111.5F37 D38 N39 L44 S45F37-S41 WeakPolarHBondContact O-CB 3.18Å; F37-S41 PolarHBondContact O-N 3.45Å; D38-S41 PolarHBondContact O-N 3.31Å; N39-S41 VanDerWaalsContact C-N 3.35Å; N39-S41 PolarHBondContact O-N 3.2Å; S41-L44 PolarHBondContact O-N 3.39Å; S41-S45 WeakPolarHBondContact O-CB 3.25Å; S41-S45 PolarHBondContact O-N 2.97Å
42N92.3Very high89.6Confident96 Ų9699 Ų9951%0.51352%0.523SS..Hα-helixtrans-64.1-42.4175.6-75.3-32.8000112.1D38 N39 N46D38-N42 WeakPolarHBondContact O-CB 3.29Å; D38-N42 PolarHBondContact O-N 3.48Å; D38-N42 PolarHBondContact O-ND2 3.28Å; D38-N42 VanDerWaalsContact O-ND2 3.09Å; N39-N42 PolarHBondContact O-N 2.76Å; N42-N46 VanDerWaalsContact O-CB 3.32Å; N42-N46 WeakPolarHBondContact O-CB 3.32Å; N42-N46 PolarHBondContact O-N 2.74Å; N42-N46 PolarHBondContact O-ND2 3.11Å
43L93.6Very high88.2Confident118 Ų11895.3 Ų95.362%0.61851%0.512SS*.Hα-helixtrans-64.7-43.1175.1-70.2174.4000111.8N39 A40 N46 T47N39-L43 VanDerWaalsContact O-CG 3.29Å; N39-L43 WeakPolarHBondContact O-CG 3.4Å; N39-L43 PolarHBondContact O-N 2.95Å; A40-L43 PolarHBondContact O-N 3.45Å; L43-N46 PolarHBondContact O-N 3.36Å; L43-T47 WeakPolarHBondContact O-CB 3.36Å; L43-T47 PolarHBondContact O-N 2.88Å; L43-T47 PolarHBondContact O-OG1 2.82Å
44L91.6Very high86.4Confident101 Ų10196.6 Ų96.653%0.52952%0.518SS..Hα-helixtrans-65.8-45.1176.8-178.261.2000111.1A40 S41 N46 T47 L48A40-L44 VanDerWaalsContact O-CB 3.25Å; A40-L44 WeakPolarHBondContact O-CB 3.21Å; A40-L44 PolarHBondContact O-N 3.46Å; S41-L44 PolarHBondContact O-N 3.39Å; L44-N46 VanDerWaalsContact C-N 3.34Å; L44-N46 PolarHBondContact O-N 2.77Å; L44-T47 CarbonylContact O-C 3.56Å; L44-T47 PolarHBondContact O-N 2.75Å; L44-T47 VanDerWaalsContact O-N 3.11Å; L44-L48 HydrophobicContact CD1-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CG 4.08Å; L44-L48 HydrophobicContact CG-CD1 3.93Å; L44-L48 HydrophobicContact CG-CG 4.26Å; L44-L48 WeakPolarHBondContact O-CB 3.31Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.17Å; L44-L48 PolarHBondContact O-N 2.93Å
45S88.3Confident84.7Confident68 Ų6894.5 Ų94.548%0.47652%0.515SS..Hα-helixtrans-57.7-46.1175.1179.10000111.2S41 T47 L48 H49S41-S45 WeakPolarHBondContact O-CB 3.25Å; S41-S45 PolarHBondContact O-N 2.97Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 2.79Å; S45-L48 PolarHBondContact O-N 3.44Å; S45-H49 WeakPolarHBondContact O-CB 3.03Å; S45-H49 PolarHBondContact O-N 3.44Å
46N86.9Confident83Confident86 Ų8699 Ų9946%0.4653%0.529SS..Hα-helixtrans-62.9-39.5174.4-76.2-27.8000112.4N42 L43 L44 R50N42-N46 VanDerWaalsContact O-CB 3.32Å; N42-N46 WeakPolarHBondContact O-CB 3.32Å; N42-N46 PolarHBondContact O-N 2.74Å; N42-N46 PolarHBondContact O-ND2 3.11Å; L43-N46 PolarHBondContact O-N 3.36Å; L44-N46 VanDerWaalsContact C-N 3.34Å; L44-N46 PolarHBondContact O-N 2.77Å; N46-R50 VanDerWaalsContact O-CG 3.25Å; N46-R50 WeakPolarHBondContact O-CG 3.32Å; N46-R50 PolarHBondContact O-N 3.33Å
47T87.5Confident81.2Confident70 Ų70104.3 Ų104.343%0.42954%0.543SS..Hα-helixtrans-68.4-46.8178-590000111L43 L44 S45 H49 R50 V51L43-T47 WeakPolarHBondContact O-CB 3.36Å; L43-T47 PolarHBondContact O-N 2.88Å; L43-T47 PolarHBondContact O-OG1 2.82Å; L44-T47 CarbonylContact O-C 3.56Å; L44-T47 PolarHBondContact O-N 2.75Å; L44-T47 VanDerWaalsContact O-N 3.11Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 2.79Å; T47-H49 VanDerWaalsContact C-N 3.32Å; T47-H49 PolarHBondContact O-N 3.01Å; T47-R50 PolarHBondContact O-N 3.06Å; T47-V51 HydrophobicContact CG2-CG2 4.11Å; T47-V51 WeakPolarHBondContact O-CB 3.26Å; T47-V51 VanDerWaalsContact O-CG2 3.32Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 2.74Å
48L83.5Confident79.2Confident79 Ų79104.6 Ų104.641%0.41454%0.54SS..Hα-helixtrans-63.1-39175.1-68.3173.8000111L44 S45 R50 V51 L52 G53L44-L48 HydrophobicContact CD1-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CG 4.08Å; L44-L48 HydrophobicContact CG-CD1 3.93Å; L44-L48 HydrophobicContact CG-CG 4.26Å; L44-L48 WeakPolarHBondContact O-CB 3.31Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.17Å; L44-L48 PolarHBondContact O-N 2.93Å; S45-L48 PolarHBondContact O-N 3.44Å; L48-R50 PolarHBondContact O-N 3.04Å; L48-V51 PolarHBondContact O-N 2.84Å; L48-L52 HydrophobicContact CB-CD1 4.49Å; L48-L52 HydrophobicContact CD2-CD1 3.71Å; L48-L52 HydrophobicContact CD2-CG 4.22Å; L48-L52 CarbonylContact O-C 3.45Å; L48-L52 VanDerWaalsContact O-CA 3.32Å; L48-L52 WeakPolarHBondContact O-CA 3.25Å; L48-L52 VanDerWaalsContact O-CB 3.26Å; L48-L52 WeakPolarHBondContact O-CB 3.11Å; L48-L52 PolarHBondContact O-N 3.31Å; L48-G53 PolarHBondContact O-N 3.42Å
49H81.7Confident77.4Confident131 Ų131104.6 Ų104.661%0.60654%0.543SS*.Hα-helixtrans-64.9-27173.6-174-90000112.6S45 T47 G53S45-H49 WeakPolarHBondContact O-CB 3.03Å; S45-H49 PolarHBondContact O-N 3.44Å; T47-H49 VanDerWaalsContact C-N 3.32Å; T47-H49 PolarHBondContact O-N 3.01Å; H49-G53 CarbonylContact O-C 3.59Å; H49-G53 WeakPolarHBondContact O-CA 3.32Å; H49-G53 PolarHBondContact O-N 3.45Å
50R80.7Confident75.7Confident201 Ų201106.5 Ų106.576%0.75855%0.553SS**Hα-helixtrans-83.9-40.8174-70.8170.7-171.9-177.43.6112.8N46 T47 L48N46-R50 VanDerWaalsContact O-CG 3.25Å; N46-R50 WeakPolarHBondContact O-CG 3.32Å; N46-R50 PolarHBondContact O-N 3.33Å; T47-R50 PolarHBondContact O-N 3.06Å; L48-R50 PolarHBondContact O-N 3.04Å
51V80.1Confident74.2Confident107 Ų107108.3 Ų108.365%0.64856%0.555SS**Hα-helixtrans-82.6-50.5-174.71750000111.2T47 L48T47-V51 HydrophobicContact CG2-CG2 4.11Å; T47-V51 WeakPolarHBondContact O-CB 3.26Å; T47-V51 VanDerWaalsContact O-CG2 3.32Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 2.74Å; L48-V51 PolarHBondContact O-N 2.84Å
52L72.4Confident72.9Confident126 Ų126114.1 Ų114.166%0.6657%0.568SS**THydrogen-bonded Turntrans-93.7-29.6180-57.4-179.7000112.6L48 I54L48-L52 HydrophobicContact CB-CD1 4.49Å; L48-L52 HydrophobicContact CD2-CD1 3.71Å; L48-L52 HydrophobicContact CD2-CG 4.22Å; L48-L52 CarbonylContact O-C 3.45Å; L48-L52 VanDerWaalsContact O-CA 3.32Å; L48-L52 WeakPolarHBondContact O-CA 3.25Å; L48-L52 VanDerWaalsContact O-CB 3.26Å; L48-L52 WeakPolarHBondContact O-CB 3.11Å; L48-L52 PolarHBondContact O-N 3.31Å; L52-I54 PolarHBondContact O-N 2.8Å
53G64.8Low72.1Confident22 Ų22117.1 Ų117.123%0.22758%0.577CS.*  trans-72.672.1173.400000110.3L48 H49 P55L48-G53 PolarHBondContact O-N 3.42Å; H49-G53 CarbonylContact O-C 3.59Å; H49-G53 WeakPolarHBondContact O-CA 3.32Å; H49-G53 PolarHBondContact O-N 3.45Å; G53-P55 VanDerWaalsContact C-N 3.32Å; G53-P55 WeakPolarHBondContact O-CD 3.41Å
54I57.6Low71.4Confident103 Ų103118.1 Ų118.153%0.52858%0.577SS.*  trans-51.4107.9146.4-62.3169.6000103.8L52 K56 R58L52-I54 PolarHBondContact O-N 2.8Å; I54-K56 PolarHBondContact O-N 3.22Å; I54-K56 VanDerWaalsContact O-N 3.1Å; I54-R58 HydrophobicContact CG2-CB 4.1Å
55P59.2Low70.7Confident75 Ų75118.8 Ų118.849%0.48758%0.578SS.*  trans-56.1129.9-175.221.7-31.5000106.1G53 K57 R58G53-P55 VanDerWaalsContact C-N 3.32Å; G53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-K57 HydrophobicContact CB-CB 4.4Å; P55-K57 PolarHBondContact O-N 3.43Å; P55-R58 WeakPolarHBondContact O-CB 3.41Å; P55-R58 PolarHBondContact O-N 3.29Å
56K58.4Low70.5Confident197 Ų197119.5 Ų119.586%0.85758%0.583SS**G310 helixtrans-52.5-17.3174.6-71.1178.8178.4175.20111.5I54 R58 T59I54-K56 PolarHBondContact O-N 3.22Å; I54-K56 VanDerWaalsContact O-N 3.1Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-R58 PolarHBondContact O-N 2.71Å; K56-T59 WeakPolarHBondContact O-CB 3.21Å; K56-T59 WeakPolarHBondContact O-CG2 3.5Å; K56-T59 PolarHBondContact O-N 3.34Å; K56-T59 PolarHBondContact O-OG1 3.44Å
57K55.9Low70.6Confident190 Ų190123.1 Ų123.183%0.82659%0.591SS**G310 helixtrans-66.1-15.6167.9-89.6-174.5169.9-175.40116.6P55 T59P55-K57 HydrophobicContact CB-CB 4.4Å; P55-K57 PolarHBondContact O-N 3.43Å; K57-T59 PolarHBondContact O-N 2.76Å
58R54.3Low70.6Confident146 Ų146123 Ų12355%0.55159%0.59SS**G310 helixtrans-71.6-10.1171.9-159.8167.676.5109.8-4.6112.7I54 P55 K56 N60 N61I54-R58 HydrophobicContact CG2-CB 4.1Å; P55-R58 WeakPolarHBondContact O-CB 3.41Å; P55-R58 PolarHBondContact O-N 3.29Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-R58 PolarHBondContact O-N 2.71Å; R58-N60 PolarHBondContact O-N 3.26Å; R58-N61 PolarHBondContact O-N 3.2Å
59T55.8Low70.9Confident75 Ų75123.8 Ų123.846%0.4659%0.594SS.*G310 helixtrans-63.7-19.4175.557.70000113.8K56 K57 N61 R62K56-T59 WeakPolarHBondContact O-CB 3.21Å; K56-T59 WeakPolarHBondContact O-CG2 3.5Å; K56-T59 PolarHBondContact O-N 3.34Å; K56-T59 PolarHBondContact O-OG1 3.44Å; K57-T59 PolarHBondContact O-N 2.76Å; T59-N61 PolarHBondContact O-N 3.1Å; T59-R62 WeakPolarHBondContact O-CG 3.34Å; T59-R62 PolarHBondContact O-N 2.76Å
60N57.5Low71.4Confident138 Ų138122.2 Ų122.274%0.73859%0.589SS**G310 helixtrans-69.1-18.9177-156.134.5000113R58R58-N60 PolarHBondContact O-N 3.26Å
61N62.1Low72Confident92 Ų92119.6 Ų119.649%0.49258%0.584SS.*G310 helixtrans-102.918.3-176.8-64.2-12.2000112.8R58 T59 K63 F64 M65R58-N61 PolarHBondContact O-N 3.2Å; T59-N61 PolarHBondContact O-N 3.1Å; N61-K63 PolarHBondContact O-N 3.47Å; N61-F64 HydrophobicContact CB-CB 4.01Å; N61-F64 WeakPolarHBondContact O-CA 3.32Å; N61-F64 VanDerWaalsContact O-CB 3.32Å; N61-F64 WeakPolarHBondContact O-CB 3.45Å; N61-F64 PolarHBondContact O-N 3.24Å; N61-M65 PolarHBondContact O-N 2.96Å
62R67.3Low72.7Confident175 Ų175118 Ų11866%0.6657%0.574SS**Hα-helixtrans-53.5-39.9173.1-72.9174.3-172.4-163.34.8111.2T59 F64 M65 C66T59-R62 WeakPolarHBondContact O-CG 3.34Å; T59-R62 PolarHBondContact O-N 2.76Å; R62-F64 PolarHBondContact O-N 3.01Å; R62-M65 PolarHBondContact O-N 2.91Å; R62-C66 PolarHBondContact O-N 3.09Å; R62-C66 VanDerWaalsContact O-N 3.09Å
63K74.3Confident73.8Confident160 Ų160115.8 Ų115.870%0.69657%0.566SS**Hα-helixtrans-59-45.2173.7-63.9-174.3-179-178.70111.6N61 M65 C66 Y67N61-K63 PolarHBondContact O-N 3.47Å; K63-M65 VanDerWaalsContact C-N 3.33Å; K63-M65 PolarHBondContact O-N 3.19Å; K63-C66 WeakPolarHBondContact O-CB 3.5Å; K63-C66 PolarHBondContact O-N 3.44Å; K63-Y67 HydrophobicContact CB-CD2 4.45Å; K63-Y67 HydrophobicContact CB-CE2 4.27Å; K63-Y67 WeakPolarHBondContact O-CD2 3.29Å; K63-Y67 PolarHBondContact O-N 3.38Å
64F78.3Confident75.3Confident138 Ų138118.7 Ų118.761%0.60558%0.575SS**Hα-helixtrans-60.7-42.2177.5-171.4-96.8000111.8N61 R62 C66 Y67 V68N61-F64 HydrophobicContact CB-CB 4.01Å; N61-F64 WeakPolarHBondContact O-CA 3.32Å; N61-F64 VanDerWaalsContact O-CB 3.32Å; N61-F64 WeakPolarHBondContact O-CB 3.45Å; N61-F64 PolarHBondContact O-N 3.24Å; R62-F64 PolarHBondContact O-N 3.01Å; F64-C66 VanDerWaalsContact C-N 3.33Å; F64-C66 PolarHBondContact O-N 3.43Å; F64-Y67 PolarHBondContact O-N 3.41Å; F64-V68 HydrophobicContact CD1-CG2 3.92Å; F64-V68 HydrophobicContact CE1-CG2 3.59Å; F64-V68 HydrophobicContact CZ-CG2 4.02Å; F64-V68 WeakPolarHBondContact O-CG2 3.44Å; F64-V68 PolarHBondContact O-N 2.91Å
65M78.2Confident77.1Confident115 Ų115119.7 Ų119.757%0.56758%0.576SS**Hα-helixtrans-62-41.7176.6-165.5178.413200111.7N61 R62 K63 V68 I69N61-M65 PolarHBondContact O-N 2.96Å; R62-M65 PolarHBondContact O-N 2.91Å; K63-M65 VanDerWaalsContact C-N 3.33Å; K63-M65 PolarHBondContact O-N 3.19Å; M65-V68 PolarHBondContact O-N 3.36Å; M65-I69 HydrophobicContact CE-CD1 4.14Å; M65-I69 HydrophobicContact CG-CD1 4.35Å; M65-I69 VanDerWaalsContact O-CG1 3.29Å; M65-I69 WeakPolarHBondContact O-CG1 3.04Å; M65-I69 PolarHBondContact O-N 3.21Å; M65-I69 VanDerWaalsContact O-N 3.07Å
66C84.5Confident78.8Confident84 Ų84121.1 Ų121.157%0.56858%0.578SS**Hα-helixtrans-63.4-41.4173.1-67.20000112.6R62 K63 F64 I69 L70R62-C66 PolarHBondContact O-N 3.09Å; R62-C66 VanDerWaalsContact O-N 3.09Å; K63-C66 WeakPolarHBondContact O-CB 3.5Å; K63-C66 PolarHBondContact O-N 3.44Å; F64-C66 VanDerWaalsContact C-N 3.33Å; F64-C66 PolarHBondContact O-N 3.43Å; C66-I69 PolarHBondContact O-N 3.26Å; C66-L70 VanDerWaalsContact O-CB 3.31Å; C66-L70 WeakPolarHBondContact O-CB 3.29Å; C66-L70 PolarHBondContact O-N 2.86Å
67Y88.2Confident80.5Confident162 Ų162116.3 Ų116.364%0.63556%0.561SS**Hα-helixtrans-62.4-41.8175.9-79.1-66.5000112.3K63 F64 L70 F71K63-Y67 HydrophobicContact CB-CD2 4.45Å; K63-Y67 HydrophobicContact CB-CE2 4.27Å; K63-Y67 WeakPolarHBondContact O-CD2 3.29Å; K63-Y67 PolarHBondContact O-N 3.38Å; F64-Y67 PolarHBondContact O-N 3.41Å; Y67-L70 PolarHBondContact O-N 2.91Å; Y67-F71 VanDerWaalsContact O-CB 3.29Å; Y67-F71 WeakPolarHBondContact O-CB 3.34Å; Y67-F71 PolarHBondContact O-N 3.07Å
68V87.5Confident82.3Confident68 Ų68112.5 Ų112.541%0.41255%0.549SS..Hα-helixtrans-62.9-44.9176.8172.60000110.7F64 M65 F71 V72F64-V68 HydrophobicContact CD1-CG2 3.92Å; F64-V68 HydrophobicContact CE1-CG2 3.59Å; F64-V68 HydrophobicContact CZ-CG2 4.02Å; F64-V68 WeakPolarHBondContact O-CG2 3.44Å; F64-V68 PolarHBondContact O-N 2.91Å; M65-V68 PolarHBondContact O-N 3.36Å; V68-F71 PolarHBondContact O-N 3.25Å; V68-V72 WeakPolarHBondContact O-CG2 3.31Å; V68-V72 PolarHBondContact O-N 3.44Å; V68-V72 VanDerWaalsContact O-N 3.08Å
69I89.6Confident84.1Confident94 Ų94108.9 Ų108.948%0.48254%0.543SS..Hα-helixtrans-62-47177-66165.2000110.6M65 C66 F71 V72 V73M65-I69 HydrophobicContact CE-CD1 4.14Å; M65-I69 HydrophobicContact CG-CD1 4.35Å; M65-I69 VanDerWaalsContact O-CG1 3.29Å; M65-I69 WeakPolarHBondContact O-CG1 3.04Å; M65-I69 PolarHBondContact O-N 3.21Å; M65-I69 VanDerWaalsContact O-N 3.07Å; C66-I69 PolarHBondContact O-N 3.26Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.08Å; I69-V72 PolarHBondContact O-N 3.4Å; I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.97Å
70L93.2Very high85.9Confident99 Ų99112.2 Ų112.252%0.51855%0.549SS..Hα-helixtrans-61.8-42179.7-166.6158.7000111.4C66 Y67 V72 V73 I74C66-L70 VanDerWaalsContact O-CB 3.31Å; C66-L70 WeakPolarHBondContact O-CB 3.29Å; C66-L70 PolarHBondContact O-N 2.86Å; Y67-L70 PolarHBondContact O-N 2.91Å; L70-V72 PolarHBondContact O-N 3.3Å; L70-V73 PolarHBondContact O-N 3.47Å; L70-I74 HydrophobicContact CD2-CD1 3.35Å; L70-I74 HydrophobicContact CD2-CG1 4Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.03Å
71F93.8Very high87.6Confident146 Ų146110.5 Ų110.564%0.6454%0.539SS*.Hα-helixtrans-59.7-44.5175.8-178.5-96.7000112.1Y67 V68 I69 I74 F75Y67-F71 VanDerWaalsContact O-CB 3.29Å; Y67-F71 WeakPolarHBondContact O-CB 3.34Å; Y67-F71 PolarHBondContact O-N 3.07Å; V68-F71 PolarHBondContact O-N 3.25Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.08Å; F71-I74 PolarHBondContact O-N 2.92Å; F71-F75 WeakPolarHBondContact O-CB 3.42Å; F71-F75 PolarHBondContact O-N 3.46Å
72V94.5Very high89Confident73 Ų73113.3 Ų113.344%0.44255%0.547SS..Hα-helixtrans-63.6-43.4177.3172.40000111.3V68 I69 L70 F75 I76V68-V72 WeakPolarHBondContact O-CG2 3.31Å; V68-V72 PolarHBondContact O-N 3.44Å; V68-V72 VanDerWaalsContact O-N 3.08Å; I69-V72 PolarHBondContact O-N 3.4Å; L70-V72 PolarHBondContact O-N 3.3Å; V72-F75 PolarHBondContact O-N 3.47Å; V72-I76 HydrophobicContact CG1-CD1 3.89Å; V72-I76 VanDerWaalsContact O-CG1 3.32Å; V72-I76 WeakPolarHBondContact O-CG1 3.32Å; V72-I76 PolarHBondContact O-N 2.86Å
73V95.3Very high90.2Very high80 Ų80109.3 Ų109.349%0.48554%0.542SS..Hα-helixtrans-62.6-46.5178.2173.30000111.3I69 L70 F75 I76 L77I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.97Å; L70-V73 PolarHBondContact O-N 3.47Å; V73-F75 VanDerWaalsContact C-N 3.33Å; V73-F75 PolarHBondContact O-N 3.32Å; V73-I76 PolarHBondContact O-N 3Å; V73-L77 HydrophobicContact CG1-CD1 4.34Å; V73-L77 WeakPolarHBondContact O-CG 3.36Å; V73-L77 PolarHBondContact O-N 3.44Å
74I95.2Very high91Very high83 Ų83107.3 Ų107.343%0.42653%0.533SS..Hα-helixtrans-61.7-43.5176.5-69.5-178000110.7L70 F71 I76 L77 L78L70-I74 HydrophobicContact CD2-CD1 3.35Å; L70-I74 HydrophobicContact CD2-CG1 4Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.03Å; F71-I74 PolarHBondContact O-N 2.92Å; I74-I76 VanDerWaalsContact C-N 3.35Å; I74-I76 PolarHBondContact O-N 2.98Å; I74-L77 PolarHBondContact O-N 3.36Å; I74-L78 HydrophobicContact CG2-CD1 3.98Å; I74-L78 HydrophobicContact CG2-CG 4.2Å; I74-L78 WeakPolarHBondContact O-CG 3.37Å; I74-L78 PolarHBondContact O-N 2.98Å
75F95.6Very high91.5Very high123 Ų123108 Ų10854%0.53954%0.538SS..Hα-helixtrans-60.2-44.6179.1-176.4-97.8000111.9F71 V72 V73 L77 L78 V79F71-F75 WeakPolarHBondContact O-CB 3.42Å; F71-F75 PolarHBondContact O-N 3.46Å; V72-F75 PolarHBondContact O-N 3.47Å; V73-F75 VanDerWaalsContact C-N 3.33Å; V73-F75 PolarHBondContact O-N 3.32Å; F75-L77 PolarHBondContact O-N 3.32Å; F75-L78 PolarHBondContact O-N 3.49Å; F75-V79 HydrophobicContact CD1-CG2 4.31Å; F75-V79 HydrophobicContact CE1-CG2 3.95Å; F75-V79 HydrophobicContact CZ-CG2 4.09Å; F75-V79 WeakPolarHBondContact O-CG2 3.25Å; F75-V79 PolarHBondContact O-N 3.21Å
76I94.5Very high91.8Very high105 Ų105112.4 Ų112.454%0.53855%0.548SS..Hα-helixtrans-61.8-43.6175.5-68168.4000111V72 V73 I74 V79 Y80V72-I76 HydrophobicContact CG1-CD1 3.89Å; V72-I76 VanDerWaalsContact O-CG1 3.32Å; V72-I76 WeakPolarHBondContact O-CG1 3.32Å; V72-I76 PolarHBondContact O-N 2.86Å; V73-I76 PolarHBondContact O-N 3Å; I74-I76 VanDerWaalsContact C-N 3.35Å; I74-I76 PolarHBondContact O-N 2.98Å; I76-V79 PolarHBondContact O-N 3.31Å; I76-Y80 WeakPolarHBondContact O-CB 3.3Å; I76-Y80 PolarHBondContact O-N 3.49Å
77L94.5Very high91.5Very high97 Ų97118.8 Ų118.851%0.50856%0.562SS.*Hα-helixtrans-62.3-42.5176.6-73.1176.9000112.2V73 I74 F75 Y80 L81V73-L77 HydrophobicContact CG1-CD1 4.34Å; V73-L77 WeakPolarHBondContact O-CG 3.36Å; V73-L77 PolarHBondContact O-N 3.44Å; I74-L77 PolarHBondContact O-N 3.36Å; F75-L77 PolarHBondContact O-N 3.32Å; L77-Y80 PolarHBondContact O-N 2.87Å; L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 3.35Å
78L93.9Very high90.5Very high109 Ų109117.6 Ų117.657%0.57158%0.578SS**Hα-helixtrans-63.8-43.1177.4-72.1177000111.8I74 F75 L81 F82I74-L78 HydrophobicContact CG2-CD1 3.98Å; I74-L78 HydrophobicContact CG2-CG 4.2Å; I74-L78 WeakPolarHBondContact O-CG 3.37Å; I74-L78 PolarHBondContact O-N 2.98Å; F75-L78 PolarHBondContact O-N 3.49Å; L78-L81 PolarHBondContact O-N 2.93Å; L78-F82 VanDerWaalsContact O-CB 3.25Å; L78-F82 WeakPolarHBondContact O-CB 3.36Å; L78-F82 PolarHBondContact O-N 2.88Å
79V93.3Very high90.6Very high70 Ų70120.1 Ų120.142%0.42459%0.586SS.*Hα-helixtrans-62.9-45.8175.1171.70000110.5F75 I76 L81 F82 V83F75-V79 HydrophobicContact CD1-CG2 4.31Å; F75-V79 HydrophobicContact CE1-CG2 3.95Å; F75-V79 HydrophobicContact CZ-CG2 4.09Å; F75-V79 WeakPolarHBondContact O-CG2 3.25Å; F75-V79 PolarHBondContact O-N 3.21Å; I76-V79 PolarHBondContact O-N 3.31Å; V79-L81 PolarHBondContact O-N 3.39Å; V79-F82 PolarHBondContact O-N 2.86Å; V79-V83 HydrophobicContact CG1-CG2 4.38Å; V79-V83 WeakPolarHBondContact O-CB 3.4Å; V79-V83 VanDerWaalsContact O-CG2 3.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.28Å; V79-V83 PolarHBondContact O-N 2.88Å
80Y92.9Very high90.7Very high146 Ų146121.5 Ų121.557%0.57359%0.591SS**Hα-helixtrans-59.5-47.3177.7178.6-96.5000111.7I76 L77 V83 F84I76-Y80 WeakPolarHBondContact O-CB 3.3Å; I76-Y80 PolarHBondContact O-N 3.49Å; L77-Y80 PolarHBondContact O-N 2.87Å; Y80-V83 PolarHBondContact O-N 3.46Å; Y80-F84 VanDerWaalsContact O-CB 3.27Å; Y80-F84 WeakPolarHBondContact O-CB 3.27Å; Y80-F84 PolarHBondContact O-N 2.86Å
81L92.3Very high90.5Very high101 Ų101122.7 Ų122.753%0.52960%0.595SS.*Hα-helixtrans-64.7-39.8177.5-71.6176.2000112.3L77 L78 V79 F84 H85L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 3.35Å; L78-L81 PolarHBondContact O-N 2.93Å; V79-L81 PolarHBondContact O-N 3.39Å; L81-F84 PolarHBondContact O-N 3.41Å; L81-H85 VanDerWaalsContact O-CB 3.27Å; L81-H85 WeakPolarHBondContact O-CB 3.27Å; L81-H85 PolarHBondContact O-N 2.99Å
82F92.8Very high90.3Very high151 Ų151121.4 Ų121.466%0.66259%0.593SS**Hα-helixtrans-65.1-41.8177.5-176.5-97.7000112L78 V79 R86L78-F82 VanDerWaalsContact O-CB 3.25Å; L78-F82 WeakPolarHBondContact O-CB 3.36Å; L78-F82 PolarHBondContact O-N 2.88Å; V79-F82 PolarHBondContact O-N 2.86Å; F82-R86 WeakPolarHBondContact O-CB 3.44Å; F82-R86 PolarHBondContact O-N 3.04Å
83V92.3Very high90.1Very high91 Ų91124.4 Ų124.455%0.55260%0.602SS**Hα-helixtrans-68.2-43.6175.6173.10000110.8V79 Y80 R86 Y87V79-V83 HydrophobicContact CG1-CG2 4.38Å; V79-V83 WeakPolarHBondContact O-CB 3.4Å; V79-V83 VanDerWaalsContact O-CG2 3.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.28Å; V79-V83 PolarHBondContact O-N 2.88Å; Y80-V83 PolarHBondContact O-N 3.46Å; V83-R86 PolarHBondContact O-N 3.29Å; V83-Y87 PolarHBondContact O-N 3.43Å; V83-Y87 VanDerWaalsContact O-N 3.15Å
84F91.7Very high89.7Confident119 Ų119127.3 Ų127.352%0.52261%0.61SS.*Hα-helixtrans-64.2-44.7178.9-175.1-97.3000112.2Y80 L81 R86 Y87 S88Y80-F84 VanDerWaalsContact O-CB 3.27Å; Y80-F84 WeakPolarHBondContact O-CB 3.27Å; Y80-F84 PolarHBondContact O-N 2.86Å; L81-F84 PolarHBondContact O-N 3.41Å; F84-R86 PolarHBondContact O-N 3.2Å; F84-Y87 PolarHBondContact O-N 3.18Å; F84-S88 PolarHBondContact O-N 3.15Å
85H87.7Confident89.3Confident152 Ų152130.5 Ų130.570%0.70462%0.623SS**Hα-helixtrans-67-21.2175.8-170.9-66.5000112.7L81L81-H85 VanDerWaalsContact O-CB 3.27Å; L81-H85 WeakPolarHBondContact O-CB 3.27Å; L81-H85 PolarHBondContact O-N 2.99Å
86R85.8Confident88.8Confident207 Ų207131.1 Ų131.178%0.78163%0.629SS**Hα-helixtrans-84.7-14.9173-168.6138.7172.776.3-1.1112.9F82 V83 F84F82-R86 WeakPolarHBondContact O-CB 3.44Å; F82-R86 PolarHBondContact O-N 3.04Å; V83-R86 PolarHBondContact O-N 3.29Å; F84-R86 PolarHBondContact O-N 3.2Å
87Y78.1Confident88.4Confident218 Ų218133.3 Ų133.386%0.85564%0.637SS**Hα-helixtrans-100.3-21.7179.6-159.3-93.4000113.5V83 F84V83-Y87 PolarHBondContact O-N 3.43Å; V83-Y87 VanDerWaalsContact O-N 3.15Å; F84-Y87 PolarHBondContact O-N 3.18Å
88S65.3Low87.8Confident138 Ų138136.5 Ų136.597%0.96565%0.649SS**  trans-93.70170.4-170.80000112.3F84F84-S88 PolarHBondContact O-N 3.15Å

Retrieved 88 of 88 residues in 306.8 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).