A0A5K4F680_SCHMA Loading...

MARVEL domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F680, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 139 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
1M34.3Very low54.1Low248 Ų248105.1 Ų105.1100%1.22266%0.659SS**  077.90-73.3171.9167.500108.7G3M1-G3 PolarHBondContact O-N 3.11Å
2S39.6Very low57.1Low120 Ų120104.8 Ų104.884%0.83965%0.649SS**  trans-83.892.5167.8-172.10000105.8K4S2-K4 PolarHBondContact O-N 3.06Å
3G40.6Very low59.7Low61 Ų6196.8 Ų96.863%0.62960%0.599SS**  trans-60.3108.9172.800000107.1M1 L5M1-G3 PolarHBondContact O-N 3.11Å; G3-L5 PolarHBondContact O-N 2.88Å
4K43.5Very low62.1Low207 Ų20793.9 Ų93.990%0.958%0.575SS**  trans-52.398163-76-178.5173.2-177.40106S2 G6S2-K4 PolarHBondContact O-N 3.06Å; K4-G6 PolarHBondContact O-N 3.1Å
5L46.2Very low64.2Low135 Ų13595.3 Ų95.371%0.70758%0.577SS**  trans-54.2115.2174.8-81.1155.8000105.7G3 G7G3-L5 PolarHBondContact O-N 2.88Å; L5-G7 PolarHBondContact O-N 3.2Å
6G42Very low66Low65 Ų6590.1 Ų90.167%0.6755%0.546SS*.  trans-46.6136.3-171.700000111.7K4 K8K4-G6 PolarHBondContact O-N 3.1Å; G6-K8 PolarHBondContact O-N 3.02Å
7G50.3Low67.7Low71 Ų7184.8 Ų84.873%0.73251%0.514SS*.  trans-28.7101.7-167.500000114.1L5 S9L5-G7 PolarHBondContact O-N 3.2Å; G7-S9 VanDerWaalsContact C-N 3.26Å; G7-S9 PolarHBondContact O-N 3.08Å
8K57Low69.3Low110 Ų11084.9 Ų84.948%0.47851%0.508SS..  trans-82.981176.8-70.7-177.3179171.60108G6 S10 Q77G6-K8 PolarHBondContact O-N 3.02Å; K8-S10 PolarHBondContact O-N 3.24Å; K8-Q77 PolarHBondContact O-NE2 3.2Å
9S72.2Confident70.7Confident52 Ų5284.3 Ų84.336%0.36450%0.501SS..  trans-51.1140.4155.466.20000108.3G7 A11G7-S9 VanDerWaalsContact C-N 3.26Å; G7-S9 PolarHBondContact O-N 3.08Å; S9-A11 PolarHBondContact O-N 3.34Å
10S82Confident71.9Confident8 Ų880.4 Ų80.46%0.05648%0.478CS..  trans-67.9111.9179.3-176.70000109K8 L12 F13 Q14 N74K8-S10 PolarHBondContact O-N 3.24Å; S10-L12 VanDerWaalsContact C-N 3.29Å; S10-L12 PolarHBondContact O-N 3.42Å; S10-F13 PolarHBondContact O-N 3.44Å; S10-F13 VanDerWaalsContact O-N 3.14Å; S10-Q14 PolarHBondContact O-N 3.3Å; S10-N74 PolarHBondContact N-OD1 3.19Å
11A87.9Confident73.1Confident79 Ų7979.8 Ų79.865%0.65347%0.47SS*.Hα-helixtrans-61.3-38.9-175.700000112.1S9 Q14 L15S9-A11 PolarHBondContact O-N 3.34Å; A11-Q14 PolarHBondContact O-N 3.1Å; A11-L15 PolarHBondContact O-N 2.96Å
12L89.1Confident76.1Confident102 Ų10273.9 Ų73.953%0.53444%0.437SS..Hα-helixtrans-63.4-42.7175.2-70.6173.2000111.8S10 L15 S16S10-L12 VanDerWaalsContact C-N 3.29Å; S10-L12 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.36Å; L12-S16 PolarHBondContact O-N 2.95Å
13F91.2Very high78.8Confident0 Ų069.2 Ų69.20%040%0.403CS..Hα-helixtrans-67.2-40.5177.3-172.6-133.6000111.4S10 L15 S16 I17 C70 N74 L82 G128 F135S10-F13 PolarHBondContact O-N 3.44Å; S10-F13 VanDerWaalsContact O-N 3.14Å; F13-L15 PolarHBondContact O-N 2.97Å; F13-S16 PolarHBondContact O-N 2.79Å; F13-I17 HydrophobicContact CD1-CD1 3.88Å; F13-I17 HydrophobicContact CD2-CD1 4.41Å; F13-I17 HydrophobicContact CD2-CG1 4.45Å; F13-I17 HydrophobicContact CE1-CD1 3.7Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CE2-CG1 4.22Å; F13-I17 HydrophobicContact CG-CD1 4.23Å; F13-I17 HydrophobicContact CZ-CD1 3.89Å; F13-I17 HydrophobicContact CZ-CG1 4.24Å; F13-I17 VanDerWaalsContact O-CG1 3.29Å; F13-I17 WeakPolarHBondContact O-CG1 3.45Å; F13-I17 PolarHBondContact O-N 2.9Å; F13-C70 HydrophobicContact CE1-CB 4.49Å; F13-C70 HydrophobicContact CZ-CB 3.96Å; F13-N74 HydrophobicContact CD1-CB 3.78Å; F13-N74 HydrophobicContact CE1-CB 3.98Å; F13-L82 HydrophobicContact CE1-CD1 3.76Å; F13-L82 HydrophobicContact CE2-CD1 4.24Å; F13-L82 HydrophobicContact CZ-CD1 3.38Å; F13-G128 VanDerWaalsContact CE2-CA 3.47Å; F13-F135 HydrophobicContact CD1-CZ 4.5Å
14Q93.5Very high81.5Confident56 Ų5666.7 Ų66.726%0.26238%0.375SS..Hα-helixtrans-59.1-46.1174.6-171.560.831.800111.6S10 A11 S16 I17 E18 N74S10-Q14 PolarHBondContact O-N 3.3Å; A11-Q14 PolarHBondContact O-N 3.1Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.21Å; Q14-I17 PolarHBondContact O-N 3.4Å; Q14-E18 PolarHBondContact NE2-OE1 3.02Å; Q14-E18 PolarHBondContact O-N 3.46Å; Q14-N74 PolarHBondContact OE1-ND2 2.86Å
15L93.4Very high84.1Confident116 Ų11660.8 Ų60.861%0.60736%0.356SS*.Hα-helixtrans-59.5-43.6176.8-179.265000111.4A11 L12 F13 I17 E18 L19A11-L15 PolarHBondContact O-N 2.96Å; L12-L15 PolarHBondContact O-N 3.36Å; F13-L15 PolarHBondContact O-N 2.97Å; L15-I17 VanDerWaalsContact C-N 3.33Å; L15-I17 PolarHBondContact O-N 3.23Å; L15-E18 PolarHBondContact O-N 3.42Å; L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 PolarHBondContact O-N 3.31Å
16S94Very high86.5Confident12 Ų1258.1 Ų58.18%0.08434%0.342CS..Hα-helixtrans-62.6-39177-177.30000112.6L12 F13 Q14 S20 N124 T127L12-S16 PolarHBondContact O-N 2.95Å; F13-S16 PolarHBondContact O-N 2.79Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.21Å; S16-S20 WeakPolarHBondContact O-CB 3.49Å; S16-S20 PolarHBondContact O-N 2.77Å; S16-S20 PolarHBondContact O-OG 3.04Å; S16-N124 WeakPolarHBondContact OG-CA 3.14Å; S16-N124 PolarHBondContact OG-ND2 3.45Å; S16-N124 VanDerWaalsContact OG-ND2 3.1Å; S16-T127 WeakPolarHBondContact CB-OG1 3.47Å; S16-T127 PolarHBondContact OG-OG1 3.46Å; S16-T127 VanDerWaalsContact OG-OG1 3.09Å
17I94.6Very high89.1Confident0 Ų055.4 Ų55.40%031%0.312CS..Hα-helixtrans-62.9-48.6176.4-68.6162.9000110.6F13 Q14 L15 L19 S20 K21 C70 S71 N74F13-I17 HydrophobicContact CD1-CD1 3.88Å; F13-I17 HydrophobicContact CD2-CD1 4.41Å; F13-I17 HydrophobicContact CD2-CG1 4.45Å; F13-I17 HydrophobicContact CE1-CD1 3.7Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CE2-CG1 4.22Å; F13-I17 HydrophobicContact CG-CD1 4.23Å; F13-I17 HydrophobicContact CZ-CD1 3.89Å; F13-I17 HydrophobicContact CZ-CG1 4.24Å; F13-I17 VanDerWaalsContact O-CG1 3.29Å; F13-I17 WeakPolarHBondContact O-CG1 3.45Å; F13-I17 PolarHBondContact O-N 2.9Å; Q14-I17 PolarHBondContact O-N 3.4Å; L15-I17 VanDerWaalsContact C-N 3.33Å; L15-I17 PolarHBondContact O-N 3.23Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L19 PolarHBondContact O-N 3.47Å; I17-S20 PolarHBondContact O-N 3.46Å; I17-K21 WeakPolarHBondContact O-CG 3.45Å; I17-K21 PolarHBondContact O-N 3.21Å; I17-C70 HydrophobicContact CD1-CB 3.8Å; I17-C70 HydrophobicContact CG1-CB 3.89Å; I17-S71 WeakPolarHBondContact CG2-OG 3.31Å; I17-N74 HydrophobicContact CD1-CB 4.25Å
18E95.7Very high91.3Very high86 Ų8654.3 Ų54.340%0.40229%0.288SS..Hα-helixtrans-63.8-41.3179.8-64.7-49.1136.200112Q14 L15 S20 K21 F22Q14-E18 PolarHBondContact NE2-OE1 3.02Å; Q14-E18 PolarHBondContact O-N 3.46Å; L15-E18 PolarHBondContact O-N 3.42Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.3Å; E18-K21 PolarHBondContact O-N 3.35Å; E18-K21 IonicContact OE1-NZ 2.6Å; E18-K21 PolarHBondContact OE1-NZ 3.36Å; E18-K21 WeakPolarHBondContact OE2-CD 3.43Å; E18-K21 IonicContact OE2-NZ 2.89Å; E18-K21 PolarHBondContact OE2-NZ 3.13Å; E18-F22 PolarHBondContact O-N 3.34Å; E18-F22 VanDerWaalsContact O-N 3.11Å
19L95.7Very high93.2Very high74 Ų7453.9 Ų53.939%0.38729%0.291SS..Hα-helixtrans-62.5-40.7174.6-173.556000111.6L15 I17 K21 F22 I23 F120L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 PolarHBondContact O-N 3.31Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L19 PolarHBondContact O-N 3.47Å; L19-K21 PolarHBondContact O-N 3.46Å; L19-F22 PolarHBondContact O-N 2.85Å; L19-I23 HydrophobicContact CD1-CG1 4.49Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.4Å; L19-I23 PolarHBondContact O-N 3.12Å; L19-F120 HydrophobicContact CD1-CE1 4.39Å; L19-F120 HydrophobicContact CD2-CD1 4.21Å; L19-F120 HydrophobicContact CD2-CE1 3.55Å; L19-F120 HydrophobicContact CG-CD1 4.2Å; L19-F120 HydrophobicContact CG-CE1 3.74Å
20S96.1Very high94.3Very high6 Ų652.2 Ų52.24%0.04228%0.279CS..Hα-helixtrans-65.1-37.5177.5-58.90000112.3S16 I17 E18 I23 L24S16-S20 WeakPolarHBondContact O-CB 3.49Å; S16-S20 PolarHBondContact O-N 2.77Å; S16-S20 PolarHBondContact O-OG 3.04Å; I17-S20 PolarHBondContact O-N 3.46Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.3Å; S20-I23 PolarHBondContact O-N 3.43Å; S20-L24 WeakPolarHBondContact O-CB 3.32Å; S20-L24 PolarHBondContact O-N 2.89Å
21K97Very high94.9Very high68 Ų6851.9 Ų51.930%0.29628%0.277SS..Hα-helixtrans-61.1-46.3173.1-69.8170-174.6167.80111.2I17 E18 L19 L24 V25 L67I17-K21 WeakPolarHBondContact O-CG 3.45Å; I17-K21 PolarHBondContact O-N 3.21Å; E18-K21 PolarHBondContact O-N 3.35Å; E18-K21 IonicContact OE1-NZ 2.6Å; E18-K21 PolarHBondContact OE1-NZ 3.36Å; E18-K21 WeakPolarHBondContact OE2-CD 3.43Å; E18-K21 IonicContact OE2-NZ 2.89Å; E18-K21 PolarHBondContact OE2-NZ 3.13Å; L19-K21 PolarHBondContact O-N 3.46Å; K21-L24 PolarHBondContact O-N 3.27Å; K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 2.69Å; K21-L67 HydrophobicContact CG-CD1 3.97Å
22F96.9Very high95.2Very high123 Ų12353 Ų5354%0.53927%0.271SS..Hα-helixtrans-61.2-46.2177.7178.5-105.9000111.8E18 L19 L24 V25 L26E18-F22 PolarHBondContact O-N 3.34Å; E18-F22 VanDerWaalsContact O-N 3.11Å; L19-F22 PolarHBondContact O-N 2.85Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 3.3Å; F22-V25 PolarHBondContact O-N 3.07Å; F22-L26 HydrophobicContact CD1-CD1 3.95Å; F22-L26 HydrophobicContact CE1-CD1 3.34Å; F22-L26 HydrophobicContact CE1-CG 4.12Å; F22-L26 HydrophobicContact CE2-CD1 4.42Å; F22-L26 HydrophobicContact CE2-CG 4.41Å; F22-L26 HydrophobicContact CZ-CD1 3.62Å; F22-L26 HydrophobicContact CZ-CD2 4.34Å; F22-L26 HydrophobicContact CZ-CG 4.06Å; F22-L26 PolarHBondContact O-N 3.11Å
23I96.3Very high95.5Very high23 Ų2351.2 Ų51.212%0.11827%0.272CS..Hα-helixtrans-62.2-40.3177.1-67.5-65.4000111.7L19 S20 L26 F27 L117 F120L19-I23 HydrophobicContact CD1-CG1 4.49Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.4Å; L19-I23 PolarHBondContact O-N 3.12Å; S20-I23 PolarHBondContact O-N 3.43Å; I23-L26 PolarHBondContact O-N 3.28Å; I23-F27 WeakPolarHBondContact O-CB 3.44Å; I23-F27 PolarHBondContact O-N 3.12Å; I23-L117 HydrophobicContact CG2-CD1 3.92Å; I23-F120 HydrophobicContact CB-CD2 4.38Å; I23-F120 HydrophobicContact CB-CG 4.47Å; I23-F120 HydrophobicContact CD1-CD2 3.91Å; I23-F120 HydrophobicContact CD1-CE1 4.42Å; I23-F120 HydrophobicContact CD1-CE2 3.48Å; I23-F120 VanDerWaalsContact CD1-CE2 3.48Å; I23-F120 HydrophobicContact CD1-CZ 3.77Å; I23-F120 HydrophobicContact CG1-CD1 4.07Å; I23-F120 HydrophobicContact CG1-CD2 3.76Å; I23-F120 HydrophobicContact CG1-CE1 4.08Å; I23-F120 HydrophobicContact CG1-CE2 3.77Å; I23-F120 HydrophobicContact CG1-CG 3.93Å; I23-F120 HydrophobicContact CG1-CZ 3.93Å; I23-F120 HydrophobicContact CG2-CB 4.36Å; I23-F120 HydrophobicContact CG2-CD2 3.86Å; I23-F120 HydrophobicContact CG2-CE2 4.49Å; I23-F120 HydrophobicContact CG2-CG 4.2Å
24L96.8Very high95.5Very high8 Ų851.7 Ų51.74%0.04227%0.274CS..Hα-helixtrans-62.1-43.8176.2178.359.4000111.7S20 K21 F22 F27 I28 F60 D63 I64 L67S20-L24 WeakPolarHBondContact O-CB 3.32Å; S20-L24 PolarHBondContact O-N 2.89Å; K21-L24 PolarHBondContact O-N 3.27Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 3.3Å; L24-F27 PolarHBondContact O-N 3.24Å; L24-I28 HydrophobicContact CD1-CD1 4.12Å; L24-I28 HydrophobicContact CD1-CG1 4.25Å; L24-I28 HydrophobicContact CG-CD1 4.03Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.06Å; L24-I28 PolarHBondContact O-N 3.27Å; L24-F60 HydrophobicContact CD1-CD1 4.19Å; L24-D63 HydrophobicContact CD1-CB 4.31Å; L24-D63 HydrophobicContact CD2-CB 4.16Å; L24-I64 HydrophobicContact CD2-CG1 3.91Å; L24-L67 HydrophobicContact CB-CD1 4.42Å; L24-L67 HydrophobicContact CD2-CD1 3.73Å
25V97.4Very high95.4Very high82 Ų8250 Ų5050%0.49727%0.266SS..Hα-helixtrans-61.1-46.7176.1172.30000110.9K21 F22 F27 I28 L29K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 2.69Å; F22-V25 PolarHBondContact O-N 3.07Å; V25-F27 VanDerWaalsContact C-N 3.29Å; V25-F27 PolarHBondContact O-N 3.44Å; V25-I28 PolarHBondContact O-N 2.9Å; V25-L29 HydrophobicContact CG1-CD1 4.16Å; V25-L29 WeakPolarHBondContact O-CG 3.29Å; V25-L29 PolarHBondContact O-N 3.39Å
26L96.5Very high95.3Very high80 Ų8049.2 Ų49.242%0.41927%0.266SS..Hα-helixtrans-60.4-40.2176.2-72.3-178000112.2F22 I23 L29 S30F22-L26 HydrophobicContact CD1-CD1 3.95Å; F22-L26 HydrophobicContact CE1-CD1 3.34Å; F22-L26 HydrophobicContact CE1-CG 4.12Å; F22-L26 HydrophobicContact CE2-CD1 4.42Å; F22-L26 HydrophobicContact CE2-CG 4.41Å; F22-L26 HydrophobicContact CZ-CD1 3.62Å; F22-L26 HydrophobicContact CZ-CD2 4.34Å; F22-L26 HydrophobicContact CZ-CG 4.06Å; F22-L26 PolarHBondContact O-N 3.11Å; I23-L26 PolarHBondContact O-N 3.28Å; L26-L29 PolarHBondContact O-N 3.45Å; L26-S30 WeakPolarHBondContact O-CB 3.38Å; L26-S30 PolarHBondContact O-N 3.38Å; L26-S30 PolarHBondContact O-OG 2.81Å
27F96.6Very high95.2Very high8 Ų854.4 Ų54.44%0.03528%0.284CS..Hα-helixtrans-65.3-43.7177.3-173.9-103.1000111.5I23 L24 V25 L29 S30 Q31 L56 M59 F60 F113 V114 L117I23-F27 WeakPolarHBondContact O-CB 3.44Å; I23-F27 PolarHBondContact O-N 3.12Å; L24-F27 PolarHBondContact O-N 3.24Å; V25-F27 VanDerWaalsContact C-N 3.29Å; V25-F27 PolarHBondContact O-N 3.44Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 2.95Å; F27-S30 PolarHBondContact O-N 3.19Å; F27-S30 PolarHBondContact O-OG 2.84Å; F27-Q31 HydrophobicContact CD1-CG 4.15Å; F27-Q31 HydrophobicContact CE1-CG 3.82Å; F27-Q31 HydrophobicContact CE2-CG 4.39Å; F27-Q31 HydrophobicContact CZ-CG 3.95Å; F27-Q31 VanDerWaalsContact O-CG 3.28Å; F27-Q31 WeakPolarHBondContact O-CG 3.48Å; F27-Q31 PolarHBondContact O-N 2.89Å; F27-L56 HydrophobicContact CE1-CD2 4.41Å; F27-M59 HydrophobicContact CE1-CE 4.17Å; F27-F60 AromaticContact CD1-CE1 3.65Å; F27-F60 HydrophobicContact CD1-CE1 3.65Å; F27-F60 HydrophobicContact CD1-CZ 4.29Å; F27-F60 AromaticContact CE1-CE1 3.71Å; F27-F60 HydrophobicContact CE1-CE1 3.71Å; F27-F60 HydrophobicContact CE1-CZ 4.3Å; F27-F113 HydrophobicContact CD2-CB 3.84Å; F27-F113 HydrophobicContact CE2-CB 3.69Å; F27-V114 HydrophobicContact CE2-CG2 3.89Å; F27-V114 HydrophobicContact CZ-CG2 3.78Å; F27-L117 HydrophobicContact CD1-CD2 3.82Å; F27-L117 HydrophobicContact CD2-CB 4.35Å; F27-L117 HydrophobicContact CD2-CD2 4.16Å; F27-L117 HydrophobicContact CE1-CD2 3.79Å; F27-L117 HydrophobicContact CE2-CD2 4.15Å; F27-L117 HydrophobicContact CG-CD2 4.01Å; F27-L117 HydrophobicContact CZ-CD2 3.98Å
28I96.7Very high95Very high47 Ų4754.4 Ų54.424%0.24128%0.284CS..Hα-helixtrans-59.6-46.8175.2-68.5165.7000110.5L24 V25 S30 Q31 L32 F60L24-I28 HydrophobicContact CD1-CD1 4.12Å; L24-I28 HydrophobicContact CD1-CG1 4.25Å; L24-I28 HydrophobicContact CG-CD1 4.03Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.06Å; L24-I28 PolarHBondContact O-N 3.27Å; V25-I28 PolarHBondContact O-N 2.9Å; I28-S30 VanDerWaalsContact C-N 3.33Å; I28-S30 PolarHBondContact O-N 3.48Å; I28-Q31 PolarHBondContact O-N 2.85Å; I28-L32 HydrophobicContact CG2-CD1 4.4Å; I28-L32 WeakPolarHBondContact O-CG 3.33Å; I28-L32 PolarHBondContact O-N 3.02Å; I28-F60 HydrophobicContact CB-CE2 4.49Å; I28-F60 HydrophobicContact CB-CZ 4.46Å; I28-F60 HydrophobicContact CD1-CD1 4.44Å; I28-F60 HydrophobicContact CD1-CD2 4.43Å; I28-F60 HydrophobicContact CD1-CG 4.24Å; I28-F60 HydrophobicContact CG1-CD1 3.88Å; I28-F60 HydrophobicContact CG1-CD2 3.94Å; I28-F60 HydrophobicContact CG1-CE1 3.82Å; I28-F60 HydrophobicContact CG1-CE2 3.87Å; I28-F60 HydrophobicContact CG1-CG 3.96Å; I28-F60 HydrophobicContact CG1-CZ 3.81Å; I28-F60 HydrophobicContact CG2-CE2 4.4Å
29L97.2Very high94.6Very high101 Ų10156.3 Ų56.353%0.52929%0.292SS..Hα-helixtrans-62.5-40.2177.9-68.8174.8000112.1V25 L26 F27 L32 A33V25-L29 HydrophobicContact CG1-CD1 4.16Å; V25-L29 WeakPolarHBondContact O-CG 3.29Å; V25-L29 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 3.45Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 2.95Å; L29-L32 PolarHBondContact O-N 2.67Å; L29-A33 PolarHBondContact O-N 3.14Å; L29-A33 VanDerWaalsContact O-N 3.15Å
30S95.5Very high94.2Very high18 Ų1857.3 Ų57.313%0.12631%0.305CS..Hα-helixtrans-67.8-38.5178770000111.8L26 F27 I28 A33 V34 F113L26-S30 WeakPolarHBondContact O-CB 3.38Å; L26-S30 PolarHBondContact O-N 3.38Å; L26-S30 PolarHBondContact O-OG 2.81Å; F27-S30 PolarHBondContact O-N 3.19Å; F27-S30 PolarHBondContact O-OG 2.84Å; I28-S30 VanDerWaalsContact C-N 3.33Å; I28-S30 PolarHBondContact O-N 3.48Å; S30-A33 PolarHBondContact O-N 3.1Å; S30-V34 WeakPolarHBondContact O-CG2 3.31Å; S30-V34 PolarHBondContact O-N 2.6Å; S30-F113 WeakPolarHBondContact OG-CD2 3.41Å
31Q94.7Very high93.8Very high1 Ų161 Ų611%0.00533%0.327CS..Hα-helixtrans-64.3-40.1174.1-67.8-51.7-29.800112.1F27 I28 A33 V34 F35 L56 F60 E110F27-Q31 HydrophobicContact CD1-CG 4.15Å; F27-Q31 HydrophobicContact CE1-CG 3.82Å; F27-Q31 HydrophobicContact CE2-CG 4.39Å; F27-Q31 HydrophobicContact CZ-CG 3.95Å; F27-Q31 VanDerWaalsContact O-CG 3.28Å; F27-Q31 WeakPolarHBondContact O-CG 3.48Å; F27-Q31 PolarHBondContact O-N 2.89Å; I28-Q31 PolarHBondContact O-N 2.85Å; Q31-A33 VanDerWaalsContact C-N 3.31Å; Q31-A33 PolarHBondContact O-N 3.17Å; Q31-V34 PolarHBondContact O-N 2.72Å; Q31-F35 VanDerWaalsContact O-CD2 3.29Å; Q31-F35 WeakPolarHBondContact O-CD2 3.48Å; Q31-F35 PolarHBondContact O-N 3.02Å; Q31-L56 HydrophobicContact CG-CD1 4.45Å; Q31-L56 HydrophobicContact CG-CD2 4.3Å; Q31-F60 HydrophobicContact CB-CZ 4.3Å; Q31-F60 HydrophobicContact CG-CZ 4.11Å; Q31-E110 PolarHBondContact OE1-OE1 2.93Å
32L94.5Very high93.2Very high102 Ų10260.1 Ų60.153%0.53433%0.325SS..Hα-helixtrans-59.2-43174-70.9172.5000111.7I28 L29 F35 V36I28-L32 HydrophobicContact CG2-CD1 4.4Å; I28-L32 WeakPolarHBondContact O-CG 3.33Å; I28-L32 PolarHBondContact O-N 3.02Å; L29-L32 PolarHBondContact O-N 2.67Å; L32-F35 PolarHBondContact O-N 2.96Å; L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.3Å; L32-V36 VanDerWaalsContact O-N 3.07Å
33A94.3Very high92.6Very high65 Ų6560.6 Ų60.654%0.53734%0.341SS..Hα-helixtrans-64.6-41.617600000112.3L29 S30 Q31 V36 Y37L29-A33 PolarHBondContact O-N 3.14Å; L29-A33 VanDerWaalsContact O-N 3.15Å; S30-A33 PolarHBondContact O-N 3.1Å; Q31-A33 VanDerWaalsContact C-N 3.31Å; Q31-A33 PolarHBondContact O-N 3.17Å; A33-V36 PolarHBondContact O-N 3.46Å; A33-Y37 PolarHBondContact O-N 3.08Å; A33-Y37 VanDerWaalsContact O-N 3.12Å
34V92.8Very high91.9Very high9 Ų961.6 Ų61.66%0.05534%0.343CS..Hα-helixtrans-63.7-40.9175.6170.90000111.1S30 Q31 Y37 K38 V107 I109 E110 F113S30-V34 WeakPolarHBondContact O-CG2 3.31Å; S30-V34 PolarHBondContact O-N 2.6Å; Q31-V34 PolarHBondContact O-N 2.72Å; V34-Y37 WeakPolarHBondContact O-CB 3.27Å; V34-Y37 PolarHBondContact O-N 3.29Å; V34-K38 HydrophobicContact CG1-CD 4.1Å; V34-K38 HydrophobicContact CG1-CG 4.25Å; V34-K38 WeakPolarHBondContact O-CG 3.41Å; V34-K38 PolarHBondContact O-N 3.33Å; V34-V107 HydrophobicContact CG1-CG1 4.15Å; V34-I109 HydrophobicContact CG2-CG2 4.15Å; V34-E110 WeakPolarHBondContact CG1-OE2 3.16Å; V34-F113 HydrophobicContact CG2-CD2 4.45Å; V34-F113 HydrophobicContact CG2-CE2 4.12Å
35F90.6Very high91.4Very high22 Ų2267.4 Ų67.410%0.09637%0.37CS..Hα-helixtrans-60.5-47.8175.2-92.1-64.7000112Q31 L32 Y37 K38 F39 M49 E52 I53 L56Q31-F35 VanDerWaalsContact O-CD2 3.29Å; Q31-F35 WeakPolarHBondContact O-CD2 3.48Å; Q31-F35 PolarHBondContact O-N 3.02Å; L32-F35 PolarHBondContact O-N 2.96Å; F35-Y37 PolarHBondContact O-N 3.36Å; F35-K38 PolarHBondContact O-N 2.92Å; F35-K38 VanDerWaalsContact O-N 3.11Å; F35-F39 HydrophobicContact CD1-CD2 4.46Å; F35-F39 HydrophobicContact CD1-CE2 4.12Å; F35-F39 WeakPolarHBondContact O-CB 3.5Å; F35-F39 VanDerWaalsContact O-CD2 3.28Å; F35-F39 WeakPolarHBondContact O-CD2 3.49Å; F35-F39 PolarHBondContact O-N 3.36Å; F35-M49 HydrophobicContact CD1-SD 4.48Å; F35-M49 HydrophobicContact CE1-SD 4.45Å; F35-E52 HydrophobicContact CE1-CB 4.2Å; F35-E52 HydrophobicContact CE1-CG 4.19Å; F35-E52 VanDerWaalsContact CE1-OE1 3.28Å; F35-E52 WeakPolarHBondContact CE1-OE1 3.33Å; F35-E52 HydrophobicContact CZ-CB 4.16Å; F35-E52 HydrophobicContact CZ-CG 3.92Å; F35-E52 WeakPolarHBondContact CZ-OE1 3.28Å; F35-I53 HydrophobicContact CD1-CG1 4.31Å; F35-I53 HydrophobicContact CE1-CD1 4.39Å; F35-I53 HydrophobicContact CE1-CG1 3.58Å; F35-I53 HydrophobicContact CE2-CG1 4.27Å; F35-I53 HydrophobicContact CZ-CB 4.39Å; F35-I53 HydrophobicContact CZ-CG1 3.55Å; F35-L56 HydrophobicContact CD2-CD1 4.49Å; F35-L56 HydrophobicContact CE2-CD1 3.38Å; F35-L56 HydrophobicContact CZ-CD1 3.66Å
36V91.7Very high90.8Very high98 Ų9868.5 Ų68.559%0.59438%0.382SS*.Hα-helixtrans-56.3-41.5176.9171.70000111L32 A33 S40L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.3Å; L32-V36 VanDerWaalsContact O-N 3.07Å; A33-V36 PolarHBondContact O-N 3.46Å; V36-S40 WeakPolarHBondContact O-CB 3.42Å; V36-S40 PolarHBondContact O-N 2.93Å; V36-S40 PolarHBondContact O-OG 3.4Å
37Y91.2Very high90.5Very high122 Ų12269.3 Ų69.348%0.47839%0.386SS..Hα-helixtrans-63.4-49.5174.4173.3-100.8000112.3A33 V34 F35 F39 S40 T41 L42A33-Y37 PolarHBondContact O-N 3.08Å; A33-Y37 VanDerWaalsContact O-N 3.12Å; V34-Y37 WeakPolarHBondContact O-CB 3.27Å; V34-Y37 PolarHBondContact O-N 3.29Å; F35-Y37 PolarHBondContact O-N 3.36Å; Y37-F39 VanDerWaalsContact C-N 3.34Å; Y37-F39 PolarHBondContact O-N 3.49Å; Y37-S40 PolarHBondContact O-N 2.98Å; Y37-S40 VanDerWaalsContact O-N 3.1Å; Y37-T41 HydrophobicContact CE2-CG2 4.14Å; Y37-T41 WeakPolarHBondContact O-CB 3.44Å; Y37-T41 PolarHBondContact O-N 3.26Å; Y37-T41 PolarHBondContact O-OG1 2.9Å; Y37-L42 HydrophobicContact CD1-CD1 4.42Å; Y37-L42 HydrophobicContact CE1-CD1 4.02Å
38K90.1Very high90.1Very high0 Ų072.4 Ų72.40%040%0.4CS..Hα-helixtrans-58.3-45.3178.8-71.9178.8177.8175.10111.9V34 F35 S40 T41 L42 Y44 M49 E52 V107 E110V34-K38 HydrophobicContact CG1-CD 4.1Å; V34-K38 HydrophobicContact CG1-CG 4.25Å; V34-K38 WeakPolarHBondContact O-CG 3.41Å; V34-K38 PolarHBondContact O-N 3.33Å; F35-K38 PolarHBondContact O-N 2.92Å; F35-K38 VanDerWaalsContact O-N 3.11Å; K38-S40 PolarHBondContact O-N 3.15Å; K38-T41 PolarHBondContact O-N 3.37Å; K38-L42 HydrophobicContact CB-CD1 4.28Å; K38-L42 HydrophobicContact CG-CD1 4.07Å; K38-L42 PolarHBondContact O-N 3.43Å; K38-Y44 HydrophobicContact CB-CD2 4.25Å; K38-Y44 HydrophobicContact CB-CE2 4.06Å; K38-Y44 HydrophobicContact CD-CE2 4Å; K38-Y44 HydrophobicContact CG-CE2 4.05Å; K38-M49 HydrophobicContact CB-CE 3.74Å; K38-E52 IonicContact NZ-OE1 3.84Å; K38-E52 PolarHBondContact NZ-OE1 3.26Å; K38-E52 IonicContact NZ-OE2 2.67Å; K38-E52 PolarHBondContact NZ-OE2 3.04Å; K38-V107 HydrophobicContact CD-CG2 4.47Å; K38-V107 HydrophobicContact CG-CG2 4.1Å; K38-E110 VanDerWaalsContact CE-OE2 3.27Å; K38-E110 WeakPolarHBondContact CE-OE2 3.23Å; K38-E110 IonicContact NZ-OE1 3.19Å; K38-E110 IonicContact NZ-OE2 2.77Å; K38-E110 PolarHBondContact NZ-OE2 3.09Å
39F87.1Confident89.6Confident126 Ų12670.5 Ų70.555%0.55339%0.391SS*.Hα-helixtrans-61-31.9177.4-91-73.2000113.1F35 Y37 M49 I53F35-F39 HydrophobicContact CD1-CD2 4.46Å; F35-F39 HydrophobicContact CD1-CE2 4.12Å; F35-F39 WeakPolarHBondContact O-CB 3.5Å; F35-F39 VanDerWaalsContact O-CD2 3.28Å; F35-F39 WeakPolarHBondContact O-CD2 3.49Å; F35-F39 PolarHBondContact O-N 3.36Å; Y37-F39 VanDerWaalsContact C-N 3.34Å; Y37-F39 PolarHBondContact O-N 3.49Å; F39-M49 HydrophobicContact CB-CE 4.22Å; F39-M49 HydrophobicContact CD1-CE 3.79Å; F39-M49 HydrophobicContact CD2-CE 3.76Å; F39-M49 HydrophobicContact CE1-CB 4.49Å; F39-M49 HydrophobicContact CE1-CE 4.01Å; F39-M49 HydrophobicContact CE1-CG 4.27Å; F39-M49 HydrophobicContact CE2-CE 3.97Å; F39-M49 HydrophobicContact CE2-SD 4.27Å; F39-M49 HydrophobicContact CG-CE 3.65Å; F39-M49 HydrophobicContact CZ-CB 4.12Å; F39-M49 HydrophobicContact CZ-CE 4.09Å; F39-M49 HydrophobicContact CZ-CG 4.2Å; F39-M49 HydrophobicContact CZ-SD 4.29Å; F39-I53 HydrophobicContact CE2-CD1 4.48Å; F39-I53 HydrophobicContact CZ-CD1 4.45Å
40S87.9Confident89.4Confident95 Ų9571.6 Ų71.666%0.66439%0.391SS*.Hα-helixtrans-90.3-24.4-175.6-54.30000113.3V36 Y37 K38V36-S40 WeakPolarHBondContact O-CB 3.42Å; V36-S40 PolarHBondContact O-N 2.93Å; V36-S40 PolarHBondContact O-OG 3.4Å; Y37-S40 PolarHBondContact O-N 2.98Å; Y37-S40 VanDerWaalsContact O-N 3.1Å; K38-S40 PolarHBondContact O-N 3.15Å
41T87.3Confident89.2Confident84 Ų8476.8 Ų76.852%0.51541%0.409SS..Hα-helixtrans-121.2-31.6-167-54.90000114Y37 K38Y37-T41 HydrophobicContact CE2-CG2 4.14Å; Y37-T41 WeakPolarHBondContact O-CB 3.44Å; Y37-T41 PolarHBondContact O-N 3.26Å; Y37-T41 PolarHBondContact O-OG1 2.9Å; K38-T41 PolarHBondContact O-N 3.37Å
42L84.7Confident89.1Confident48 Ų4877 Ų7725%0.25141%0.41SS..SBendtrans-101.2136.2-177.2-72.7105.6000111.2Y37 K38 Y44 V107Y37-L42 HydrophobicContact CD1-CD1 4.42Å; Y37-L42 HydrophobicContact CE1-CD1 4.02Å; K38-L42 HydrophobicContact CB-CD1 4.28Å; K38-L42 HydrophobicContact CG-CD1 4.07Å; K38-L42 PolarHBondContact O-N 3.43Å; L42-Y44 HydrophobicContact CB-CD2 3.57Å; L42-Y44 HydrophobicContact CB-CE2 3.63Å; L42-Y44 HydrophobicContact CB-CG 4.38Å; L42-Y44 HydrophobicContact CD1-CE2 4.32Å; L42-Y44 HydrophobicContact CD2-CE2 3.9Å; L42-Y44 HydrophobicContact CG-CE2 4.15Å; L42-Y44 PolarHBondContact O-N 3.39Å; L42-V107 HydrophobicContact CD1-CG2 4.32Å
43P84.7Confident89Confident134 Ų13475.3 Ų75.387%0.8740%0.401SS*.  trans-79.556.9177.335.6-36.7000110.8
44Y81.1Confident89.1Confident43 Ų4376.4 Ų76.417%0.16940%0.397CS..  trans-71.7141.2176.1-78.3-62.3000111.2K38 L42 E48 M49 T106K38-Y44 HydrophobicContact CB-CD2 4.25Å; K38-Y44 HydrophobicContact CB-CE2 4.06Å; K38-Y44 HydrophobicContact CD-CE2 4Å; K38-Y44 HydrophobicContact CG-CE2 4.05Å; L42-Y44 HydrophobicContact CB-CD2 3.57Å; L42-Y44 HydrophobicContact CB-CE2 3.63Å; L42-Y44 HydrophobicContact CB-CG 4.38Å; L42-Y44 HydrophobicContact CD1-CE2 4.32Å; L42-Y44 HydrophobicContact CD2-CE2 3.9Å; L42-Y44 HydrophobicContact CG-CE2 4.15Å; L42-Y44 PolarHBondContact O-N 3.39Å; Y44-E48 WeakPolarHBondContact CD1-OE2 3.41Å; Y44-M49 HydrophobicContact CD2-CE 3.7Å; Y44-M49 HydrophobicContact CD2-SD 3.87Å; Y44-M49 HydrophobicContact CG-CE 4.3Å; Y44-M49 HydrophobicContact CG-CG 4.31Å; Y44-M49 HydrophobicContact CG-SD 4.2Å; Y44-T106 VanDerWaalsContact OH-CB 3.29Å; Y44-T106 WeakPolarHBondContact OH-CB 3.32Å; Y44-T106 WeakPolarHBondContact OH-CG2 3.44Å
45E86.1Confident89.2Confident130 Ų13077 Ų7761%0.60740%0.401SS*.  trans-68.1144.3167.8-64.2-170.9176.700109.8L47 E48 M49E45-L47 PolarHBondContact O-N 3.05Å; E45-L47 VanDerWaalsContact O-N 3.11Å; E45-E48 HydrophobicContact CB-CG 4.24Å; E45-E48 PolarHBondContact O-N 3.25Å; E45-E48 VanDerWaalsContact O-N 3.08Å; E45-M49 PolarHBondContact O-N 3.43Å
46S85.7Confident89.4Confident105 Ų10576.1 Ų76.173%0.73440%0.397SS*.Hα-helixtrans-57.1-31.2-177.4530000113F50S46-F50 WeakPolarHBondContact O-CB 3.39Å; S46-F50 PolarHBondContact O-N 2.99Å
47L90.1Very high89.6Confident97 Ų9774 Ų7451%0.50839%0.387SS..Hα-helixtrans-71.8-39.1178.9-175.1127.5000112.4E45 F50 Y51E45-L47 PolarHBondContact O-N 3.05Å; E45-L47 VanDerWaalsContact O-N 3.11Å; L47-F50 PolarHBondContact O-N 3.28Å; L47-Y51 HydrophobicContact CD2-CD2 3.99Å; L47-Y51 HydrophobicContact CD2-CE2 3.33Å; L47-Y51 HydrophobicContact CG-CD2 4.26Å; L47-Y51 HydrophobicContact CG-CE2 3.69Å; L47-Y51 WeakPolarHBondContact O-CD2 3.5Å; L47-Y51 PolarHBondContact O-N 3.45Å; L47-Y51 VanDerWaalsContact O-N 3.1Å
48E88.4Confident89.8Confident73 Ų7369.3 Ų69.334%0.34137%0.372SS..Hα-helixtrans-65.9-43.8176-63.3-179.915100111Y44 E45 F50 Y51 E52Y44-E48 WeakPolarHBondContact CD1-OE2 3.41Å; E45-E48 HydrophobicContact CB-CG 4.24Å; E45-E48 PolarHBondContact O-N 3.25Å; E45-E48 VanDerWaalsContact O-N 3.08Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 3.44Å; E48-Y51 PolarHBondContact O-N 3.33Å; E48-E52 PolarHBondContact O-N 2.92Å
49M87Confident90.2Very high8 Ų869.3 Ų69.34%0.03937%0.372CS..Hα-helixtrans-59.8-42.2174.1-75.2-68.8-138.900112F35 K38 F39 Y44 E45 Y51 E52 I53F35-M49 HydrophobicContact CD1-SD 4.48Å; F35-M49 HydrophobicContact CE1-SD 4.45Å; K38-M49 HydrophobicContact CB-CE 3.74Å; F39-M49 HydrophobicContact CB-CE 4.22Å; F39-M49 HydrophobicContact CD1-CE 3.79Å; F39-M49 HydrophobicContact CD2-CE 3.76Å; F39-M49 HydrophobicContact CE1-CB 4.49Å; F39-M49 HydrophobicContact CE1-CE 4.01Å; F39-M49 HydrophobicContact CE1-CG 4.27Å; F39-M49 HydrophobicContact CE2-CE 3.97Å; F39-M49 HydrophobicContact CE2-SD 4.27Å; F39-M49 HydrophobicContact CG-CE 3.65Å; F39-M49 HydrophobicContact CZ-CB 4.12Å; F39-M49 HydrophobicContact CZ-CE 4.09Å; F39-M49 HydrophobicContact CZ-CG 4.2Å; F39-M49 HydrophobicContact CZ-SD 4.29Å; Y44-M49 HydrophobicContact CD2-CE 3.7Å; Y44-M49 HydrophobicContact CD2-SD 3.87Å; Y44-M49 HydrophobicContact CG-CE 4.3Å; Y44-M49 HydrophobicContact CG-CG 4.31Å; Y44-M49 HydrophobicContact CG-SD 4.2Å; E45-M49 PolarHBondContact O-N 3.43Å; M49-Y51 VanDerWaalsContact C-N 3.34Å; M49-Y51 PolarHBondContact O-N 3.43Å; M49-E52 PolarHBondContact O-N 2.94Å; M49-I53 VanDerWaalsContact O-CG1 3.31Å; M49-I53 WeakPolarHBondContact O-CG1 3.33Å; M49-I53 PolarHBondContact O-N 3.37Å
50F91.7Very high90.7Very high123 Ų12364.7 Ų64.754%0.53935%0.351SS..Hα-helixtrans-60.6-43.5177.4177.8-100.9000111.8S46 L47 E48 I53 L54S46-F50 WeakPolarHBondContact O-CB 3.39Å; S46-F50 PolarHBondContact O-N 2.99Å; L47-F50 PolarHBondContact O-N 3.28Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 3.44Å; F50-I53 PolarHBondContact O-N 3.3Å; F50-L54 HydrophobicContact CE1-CD1 3.99Å; F50-L54 HydrophobicContact CZ-CD1 4.21Å; F50-L54 WeakPolarHBondContact O-CB 3.5Å; F50-L54 PolarHBondContact O-N 3.19Å
51Y91.8Very high91.2Very high127 Ų12765 Ų6550%0.49834%0.344SS..Hα-helixtrans-64.9-40.9176.5-70.4-52.2000112.7L47 E48 M49 I53 L54 V55L47-Y51 HydrophobicContact CD2-CD2 3.99Å; L47-Y51 HydrophobicContact CD2-CE2 3.33Å; L47-Y51 HydrophobicContact CG-CD2 4.26Å; L47-Y51 HydrophobicContact CG-CE2 3.69Å; L47-Y51 WeakPolarHBondContact O-CD2 3.5Å; L47-Y51 PolarHBondContact O-N 3.45Å; L47-Y51 VanDerWaalsContact O-N 3.1Å; E48-Y51 PolarHBondContact O-N 3.33Å; M49-Y51 VanDerWaalsContact C-N 3.34Å; M49-Y51 PolarHBondContact O-N 3.43Å; Y51-I53 VanDerWaalsContact C-N 3.34Å; Y51-I53 PolarHBondContact O-N 3.22Å; Y51-L54 PolarHBondContact O-N 3.24Å; Y51-V55 WeakPolarHBondContact O-CG2 3.31Å; Y51-V55 PolarHBondContact O-N 2.89Å
52E91.7Very high91.7Very high6 Ų664.1 Ų64.13%0.02833%0.334CS..Hα-helixtrans-61.3-44.5177.2-161.6-175.9112.400111.3F35 K38 E48 M49 L54 V55 L56 Q103F35-E52 HydrophobicContact CE1-CB 4.2Å; F35-E52 HydrophobicContact CE1-CG 4.19Å; F35-E52 VanDerWaalsContact CE1-OE1 3.28Å; F35-E52 WeakPolarHBondContact CE1-OE1 3.33Å; F35-E52 HydrophobicContact CZ-CB 4.16Å; F35-E52 HydrophobicContact CZ-CG 3.92Å; F35-E52 WeakPolarHBondContact CZ-OE1 3.28Å; K38-E52 IonicContact NZ-OE1 3.84Å; K38-E52 PolarHBondContact NZ-OE1 3.26Å; K38-E52 IonicContact NZ-OE2 2.67Å; K38-E52 PolarHBondContact NZ-OE2 3.04Å; E48-E52 PolarHBondContact O-N 2.92Å; M49-E52 PolarHBondContact O-N 2.94Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.48Å; E52-V55 PolarHBondContact O-N 2.93Å; E52-L56 HydrophobicContact CG-CD1 4.3Å; E52-L56 WeakPolarHBondContact O-CB 3.48Å; E52-L56 PolarHBondContact O-N 3.4Å; E52-Q103 PolarHBondContact OE2-NE2 2.91Å
53I93.2Very high92.3Very high66 Ų6661.9 Ų61.934%0.33832%0.322SS..Hα-helixtrans-61.1-43.9175.6-68.1166.7000110.7F35 F39 M49 F50 Y51 S57F35-I53 HydrophobicContact CD1-CG1 4.31Å; F35-I53 HydrophobicContact CE1-CD1 4.39Å; F35-I53 HydrophobicContact CE1-CG1 3.58Å; F35-I53 HydrophobicContact CE2-CG1 4.27Å; F35-I53 HydrophobicContact CZ-CB 4.39Å; F35-I53 HydrophobicContact CZ-CG1 3.55Å; F39-I53 HydrophobicContact CE2-CD1 4.48Å; F39-I53 HydrophobicContact CZ-CD1 4.45Å; M49-I53 VanDerWaalsContact O-CG1 3.31Å; M49-I53 WeakPolarHBondContact O-CG1 3.33Å; M49-I53 PolarHBondContact O-N 3.37Å; F50-I53 PolarHBondContact O-N 3.3Å; Y51-I53 VanDerWaalsContact C-N 3.34Å; Y51-I53 PolarHBondContact O-N 3.22Å; I53-S57 WeakPolarHBondContact O-CB 3.42Å; I53-S57 PolarHBondContact O-N 3.26Å; I53-S57 PolarHBondContact O-OG 2.89Å
54L95.4Very high93Very high89 Ų8960.1 Ų60.147%0.46630%0.304SS..Hα-helixtrans-63-46180-171.1154.5000111F50 Y51 E52 S57 S58F50-L54 HydrophobicContact CE1-CD1 3.99Å; F50-L54 HydrophobicContact CZ-CD1 4.21Å; F50-L54 WeakPolarHBondContact O-CB 3.5Å; F50-L54 PolarHBondContact O-N 3.19Å; Y51-L54 PolarHBondContact O-N 3.24Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.48Å; L54-S57 PolarHBondContact O-N 3.07Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 3.28Å; L54-S58 PolarHBondContact O-OG 3.16Å
55V94.9Very high93.8Very high22 Ų2261.6 Ų61.613%0.13331%0.314CS..Hα-helixtrans-62.1-51.7178.5172.50000110.7Y51 E52 S57 S58 M59 Y95 W98Y51-V55 WeakPolarHBondContact O-CG2 3.31Å; Y51-V55 PolarHBondContact O-N 2.89Å; E52-V55 PolarHBondContact O-N 2.93Å; V55-S57 PolarHBondContact O-N 2.99Å; V55-S58 PolarHBondContact O-N 3.44Å; V55-S58 PolarHBondContact O-OG 3.33Å; V55-M59 WeakPolarHBondContact O-CB 3.32Å; V55-M59 PolarHBondContact O-N 3.16Å; V55-Y95 HydrophobicContact CG1-CD1 3.68Å; V55-Y95 HydrophobicContact CG1-CE1 3.93Å; V55-W98 HydrophobicContact CB-CE3 4.37Å; V55-W98 HydrophobicContact CB-CH2 4.24Å; V55-W98 HydrophobicContact CB-CZ3 3.91Å; V55-W98 HydrophobicContact CG1-CD2 4.29Å; V55-W98 HydrophobicContact CG1-CE3 3.56Å; V55-W98 HydrophobicContact CG1-CH2 4.3Å; V55-W98 HydrophobicContact CG1-CZ3 3.57Å; V55-W98 HydrophobicContact CG2-CE3 4.47Å; V55-W98 HydrophobicContact CG2-CH2 3.9Å; V55-W98 HydrophobicContact CG2-CZ2 4.25Å; V55-W98 HydrophobicContact CG2-CZ3 4.02Å
56L95.1Very high94.3Very high3 Ų355.5 Ų55.52%0.01629%0.286CS..Hα-helixtrans-62.6-42.4179.2-80.4169.2000112.3F27 Q31 F35 E52 S58 M59 F60 I99F27-L56 HydrophobicContact CE1-CD2 4.41Å; Q31-L56 HydrophobicContact CG-CD1 4.45Å; Q31-L56 HydrophobicContact CG-CD2 4.3Å; F35-L56 HydrophobicContact CD2-CD1 4.49Å; F35-L56 HydrophobicContact CE2-CD1 3.38Å; F35-L56 HydrophobicContact CZ-CD1 3.66Å; E52-L56 HydrophobicContact CG-CD1 4.3Å; E52-L56 WeakPolarHBondContact O-CB 3.48Å; E52-L56 PolarHBondContact O-N 3.4Å; L56-S58 VanDerWaalsContact C-N 3.34Å; L56-S58 PolarHBondContact O-N 2.9Å; L56-M59 WeakPolarHBondContact O-CB 3.41Å; L56-M59 PolarHBondContact O-N 3.42Å; L56-F60 HydrophobicContact CB-CE2 4.25Å; L56-F60 HydrophobicContact CB-CZ 4.24Å; L56-F60 HydrophobicContact CD2-CE1 4.34Å; L56-F60 HydrophobicContact CD2-CZ 4.13Å; L56-F60 VanDerWaalsContact O-CD2 3.3Å; L56-F60 WeakPolarHBondContact O-CD2 3.48Å; L56-F60 WeakPolarHBondContact O-CG 3.17Å; L56-F60 PolarHBondContact O-N 3.19Å; L56-I99 HydrophobicContact CD2-CD1 3.57Å; L56-I99 HydrophobicContact CD2-CG1 4.45Å; L56-I99 HydrophobicContact CG-CD1 4.46Å
57S95.8Very high94.9Very high53 Ų5350.8 Ų50.837%0.37125%0.252SS..Hα-helixtrans-61.8-43.6177-60.10000111.4I53 L54 V55 F60 I61I53-S57 WeakPolarHBondContact O-CB 3.42Å; I53-S57 PolarHBondContact O-N 3.26Å; I53-S57 PolarHBondContact O-OG 2.89Å; L54-S57 PolarHBondContact O-N 3.07Å; V55-S57 PolarHBondContact O-N 2.99Å; S57-F60 PolarHBondContact O-N 3.16Å; S57-I61 VanDerWaalsContact O-CG1 3.32Å; S57-I61 WeakPolarHBondContact O-CG1 3.28Å; S57-I61 PolarHBondContact O-N 3.49Å
58S97Very high95.2Very high23 Ų2353.6 Ų53.616%0.16126%0.257CS..Hα-helixtrans-63.5-43.6176.969.40000111.7L54 V55 L56 F60 I61 F62 Y95L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 3.28Å; L54-S58 PolarHBondContact O-OG 3.16Å; V55-S58 PolarHBondContact O-N 3.44Å; V55-S58 PolarHBondContact O-OG 3.33Å; L56-S58 VanDerWaalsContact C-N 3.34Å; L56-S58 PolarHBondContact O-N 2.9Å; S58-F60 PolarHBondContact O-N 2.68Å; S58-I61 PolarHBondContact O-N 3Å; S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 PolarHBondContact O-N 3.43Å; S58-Y95 WeakPolarHBondContact CB-OH 3.32Å; S58-Y95 VanDerWaalsContact OG-CE1 3.23Å; S58-Y95 WeakPolarHBondContact OG-CE1 3.35Å; S58-Y95 VanDerWaalsContact OG-CZ 3.25Å; S58-Y95 PolarHBondContact OG-OH 3.28Å
59M97.5Very high95.7Very high0 Ų051.8 Ų51.80%025%0.25CC..Hα-helixtrans-58-45.8174.6179.7-173.8161.100111.6F27 V55 L56 I61 F62 D63 Y95 C96 I99 L117F27-M59 HydrophobicContact CE1-CE 4.17Å; V55-M59 WeakPolarHBondContact O-CB 3.32Å; V55-M59 PolarHBondContact O-N 3.16Å; L56-M59 WeakPolarHBondContact O-CB 3.41Å; L56-M59 PolarHBondContact O-N 3.42Å; M59-I61 VanDerWaalsContact C-N 3.35Å; M59-I61 PolarHBondContact O-N 3Å; M59-F62 PolarHBondContact O-N 2.87Å; M59-D63 PolarHBondContact O-N 2.91Å; M59-Y95 HydrophobicContact CB-CD1 4.06Å; M59-Y95 HydrophobicContact CB-CD2 4.04Å; M59-Y95 HydrophobicContact CB-CG 3.76Å; M59-Y95 HydrophobicContact CG-CD2 4.24Å; M59-Y95 HydrophobicContact CG-CG 4Å; M59-C96 WeakPolarHBondContact CE-SG 3.3Å; M59-I99 HydrophobicContact SD-CD1 3.49Å; M59-I99 WeakPolarHBondContact SD-CD1 3.45Å; M59-L117 HydrophobicContact CE-CD2 3.34Å
60F97.6Very high96.1Very high29 Ų2951.4 Ų51.413%0.12725%0.248CC..Hα-helixtrans-62-41.8178.2-60.9-25.9000112.3L24 F27 I28 Q31 L56 S57 S58 F62 D63 I64L24-F60 HydrophobicContact CD1-CD1 4.19Å; F27-F60 AromaticContact CD1-CE1 3.65Å; F27-F60 HydrophobicContact CD1-CE1 3.65Å; F27-F60 HydrophobicContact CD1-CZ 4.29Å; F27-F60 AromaticContact CE1-CE1 3.71Å; F27-F60 HydrophobicContact CE1-CE1 3.71Å; F27-F60 HydrophobicContact CE1-CZ 4.3Å; I28-F60 HydrophobicContact CB-CE2 4.49Å; I28-F60 HydrophobicContact CB-CZ 4.46Å; I28-F60 HydrophobicContact CD1-CD1 4.44Å; I28-F60 HydrophobicContact CD1-CD2 4.43Å; I28-F60 HydrophobicContact CD1-CG 4.24Å; I28-F60 HydrophobicContact CG1-CD1 3.88Å; I28-F60 HydrophobicContact CG1-CD2 3.94Å; I28-F60 HydrophobicContact CG1-CE1 3.82Å; I28-F60 HydrophobicContact CG1-CE2 3.87Å; I28-F60 HydrophobicContact CG1-CG 3.96Å; I28-F60 HydrophobicContact CG1-CZ 3.81Å; I28-F60 HydrophobicContact CG2-CE2 4.4Å; Q31-F60 HydrophobicContact CB-CZ 4.3Å; Q31-F60 HydrophobicContact CG-CZ 4.11Å; L56-F60 HydrophobicContact CB-CE2 4.25Å; L56-F60 HydrophobicContact CB-CZ 4.24Å; L56-F60 HydrophobicContact CD2-CE1 4.34Å; L56-F60 HydrophobicContact CD2-CZ 4.13Å; L56-F60 VanDerWaalsContact O-CD2 3.3Å; L56-F60 WeakPolarHBondContact O-CD2 3.48Å; L56-F60 WeakPolarHBondContact O-CG 3.17Å; L56-F60 PolarHBondContact O-N 3.19Å; S57-F60 PolarHBondContact O-N 3.16Å; S58-F60 PolarHBondContact O-N 2.68Å; F60-F62 VanDerWaalsContact C-N 3.35Å; F60-F62 PolarHBondContact O-N 3.24Å; F60-D63 PolarHBondContact O-N 3.37Å; F60-I64 WeakPolarHBondContact O-CB 3.14Å; F60-I64 WeakPolarHBondContact O-CG1 3.49Å; F60-I64 PolarHBondContact O-N 2.88Å
61I98.1Very high96.2Very high101 Ų10146.2 Ų46.252%0.51823%0.226SC..Hα-helixtrans-59.8-47.9176.3-68.5164.8000110.1S57 S58 M59 D63 I64 I65S57-I61 VanDerWaalsContact O-CG1 3.32Å; S57-I61 WeakPolarHBondContact O-CG1 3.28Å; S57-I61 PolarHBondContact O-N 3.49Å; S58-I61 PolarHBondContact O-N 3Å; M59-I61 VanDerWaalsContact C-N 3.35Å; M59-I61 PolarHBondContact O-N 3Å; I61-D63 PolarHBondContact O-N 3.42Å; I61-I64 PolarHBondContact O-N 3.4Å; I61-I65 HydrophobicContact CG2-CD1 3.75Å; I61-I65 VanDerWaalsContact O-CG1 3.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.49Å; I61-I65 PolarHBondContact O-N 2.93Å
62F98Very high96.4Very high67 Ų6741.9 Ų41.929%0.29421%0.213SC..Hα-helixtrans-60.8-42.7177.2-79.5-67.6000112.4S58 M59 F60 I65 R66 L88 I91 Y95S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 PolarHBondContact O-N 3.43Å; M59-F62 PolarHBondContact O-N 2.87Å; F60-F62 VanDerWaalsContact C-N 3.35Å; F60-F62 PolarHBondContact O-N 3.24Å; F62-I65 PolarHBondContact O-N 3.49Å; F62-R66 VanDerWaalsContact O-CB 3.25Å; F62-R66 WeakPolarHBondContact O-CB 3.49Å; F62-R66 PolarHBondContact O-N 3.45Å; F62-L88 HydrophobicContact CD1-CD2 3.73Å; F62-L88 HydrophobicContact CE1-CD2 4.24Å; F62-I91 HydrophobicContact CD1-CG2 4.34Å; F62-I91 HydrophobicContact CD2-CG2 4.21Å; F62-I91 HydrophobicContact CE2-CG2 4.44Å; F62-I91 HydrophobicContact CG-CG2 4.17Å; F62-Y95 AromaticContact CD2-CE2 3.64Å; F62-Y95 HydrophobicContact CD2-CE2 3.64Å; F62-Y95 HydrophobicContact CE2-CE2 4.03Å
63D98Very high96.5Very high1 Ų141.6 Ų41.61%0.00521%0.212CC..Hα-helixtrans-70.7-36.7-178.8-157.17.6000112.3L24 M59 F60 I61 R66 L67 Y121L24-D63 HydrophobicContact CD1-CB 4.31Å; L24-D63 HydrophobicContact CD2-CB 4.16Å; M59-D63 PolarHBondContact O-N 2.91Å; F60-D63 PolarHBondContact O-N 3.37Å; I61-D63 PolarHBondContact O-N 3.42Å; D63-R66 WeakPolarHBondContact O-CB 3.44Å; D63-R66 PolarHBondContact O-N 3.43Å; D63-R66 IonicContact OD1-CZ 3.34Å; D63-R66 IonicContact OD1-NE 2.72Å; D63-R66 PolarHBondContact OD1-NE 3.3Å; D63-R66 IonicContact OD1-NH2 2.76Å; D63-R66 PolarHBondContact OD1-NH2 3.48Å; D63-L67 WeakPolarHBondContact O-CB 3.43Å; D63-L67 WeakPolarHBondContact O-CG 3.38Å; D63-L67 PolarHBondContact O-N 2.77Å; D63-Y121 VanDerWaalsContact CG-OH 3.23Å; D63-Y121 WeakPolarHBondContact OD2-CE1 3.26Å; D63-Y121 PolarHBondContact OD2-OH 3.29Å
64I98.2Very high96.4Very high96 Ų9638.5 Ų38.549%0.49220%0.196SC..Hα-helixtrans-62.3-48.6172.9-69.9166.7000110.4L24 F60 I61 R66 L67 Y68L24-I64 HydrophobicContact CD2-CG1 3.91Å; F60-I64 WeakPolarHBondContact O-CB 3.14Å; F60-I64 WeakPolarHBondContact O-CG1 3.49Å; F60-I64 PolarHBondContact O-N 2.88Å; I61-I64 PolarHBondContact O-N 3.4Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 3.24Å; I64-L67 PolarHBondContact O-N 2.85Å; I64-Y68 WeakPolarHBondContact O-CB 3.4Å; I64-Y68 PolarHBondContact O-N 3Å
65I98.3Very high96.2Very high75 Ų7542.5 Ų42.539%0.38521%0.205SC..Hα-helixtrans-60.3-43.8177.3-67.6167.5000109.8I61 F62 L67 Y68 I69 L88I61-I65 HydrophobicContact CG2-CD1 3.75Å; I61-I65 VanDerWaalsContact O-CG1 3.24Å; I61-I65 WeakPolarHBondContact O-CG1 3.49Å; I61-I65 PolarHBondContact O-N 2.93Å; F62-I65 PolarHBondContact O-N 3.49Å; I65-L67 PolarHBondContact O-N 3.25Å; I65-Y68 WeakPolarHBondContact O-CB 3.27Å; I65-Y68 PolarHBondContact O-N 2.87Å; I65-I69 HydrophobicContact CG2-CD1 3.86Å; I65-I69 HydrophobicContact CG2-CG1 4.4Å; I65-I69 WeakPolarHBondContact O-CG1 3.35Å; I65-I69 PolarHBondContact O-N 2.76Å; I65-L88 HydrophobicContact CG2-CD1 3.88Å
66R98Very high96Very high1 Ų144.4 Ų44.40%0.00422%0.219CC..Hα-helixtrans-57.5-51.3177.3-174.8-168.970.379.4-1.6111.7F62 D63 I64 Y68 I69 C70 S85 L88 N124F62-R66 VanDerWaalsContact O-CB 3.25Å; F62-R66 WeakPolarHBondContact O-CB 3.49Å; F62-R66 PolarHBondContact O-N 3.45Å; D63-R66 WeakPolarHBondContact O-CB 3.44Å; D63-R66 PolarHBondContact O-N 3.43Å; D63-R66 IonicContact OD1-CZ 3.34Å; D63-R66 IonicContact OD1-NE 2.72Å; D63-R66 PolarHBondContact OD1-NE 3.3Å; D63-R66 IonicContact OD1-NH2 2.76Å; D63-R66 PolarHBondContact OD1-NH2 3.48Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 3.24Å; R66-Y68 VanDerWaalsContact C-N 3.3Å; R66-Y68 PolarHBondContact O-N 3.41Å; R66-I69 PolarHBondContact O-N 3.26Å; R66-C70 PolarHBondContact O-N 2.85Å; R66-C70 PolarHBondContact O-SG 2.62Å; R66-C70 VanDerWaalsContact O-SG 3.36Å; R66-S85 WeakPolarHBondContact CG-O 3.46Å; R66-L88 HydrophobicContact CB-CB 3.84Å; R66-L88 HydrophobicContact CB-CD1 4.16Å; R66-L88 HydrophobicContact CG-CB 3.88Å; R66-N124 PolarHBondContact NH1-OD1 3.14Å
67L97.3Very high95.8Very high6 Ų647.1 Ų47.13%0.03123%0.232CC..Hα-helixtrans-63.8-35.4179.5-72.9173.1000112.6K21 L24 D63 I64 I65 S71K21-L67 HydrophobicContact CG-CD1 3.97Å; L24-L67 HydrophobicContact CB-CD1 4.42Å; L24-L67 HydrophobicContact CD2-CD1 3.73Å; D63-L67 WeakPolarHBondContact O-CB 3.43Å; D63-L67 WeakPolarHBondContact O-CG 3.38Å; D63-L67 PolarHBondContact O-N 2.77Å; I64-L67 PolarHBondContact O-N 2.85Å; I65-L67 PolarHBondContact O-N 3.25Å; L67-S71 WeakPolarHBondContact O-CB 3.19Å; L67-S71 PolarHBondContact O-N 3.45Å; L67-S71 PolarHBondContact O-OG 3.17Å
68Y97.3Very high95.6Very high156 Ų15646 Ų4661%0.61222%0.224SC*.Hα-helixtrans-62.3-49.8172.1177.6-100000111.1I64 I65 R66 C70 S71 V72I64-Y68 WeakPolarHBondContact O-CB 3.4Å; I64-Y68 PolarHBondContact O-N 3Å; I65-Y68 WeakPolarHBondContact O-CB 3.27Å; I65-Y68 PolarHBondContact O-N 2.87Å; R66-Y68 VanDerWaalsContact C-N 3.3Å; R66-Y68 PolarHBondContact O-N 3.41Å; Y68-C70 PolarHBondContact O-N 3.4Å; Y68-S71 WeakPolarHBondContact O-CB 3.4Å; Y68-S71 PolarHBondContact O-N 3.33Å; Y68-S71 VanDerWaalsContact O-N 3.1Å; Y68-V72 HydrophobicContact CD1-CG2 4.29Å; Y68-V72 HydrophobicContact CE1-CG2 3.85Å; Y68-V72 HydrophobicContact CE2-CG2 4.29Å; Y68-V72 WeakPolarHBondContact O-CG2 3.38Å; Y68-V72 PolarHBondContact O-N 2.88Å
69I97.2Very high95.3Very high36 Ų3645.9 Ų45.919%0.18522%0.223CC..Hα-helixtrans-61.9-41.8177.7-65.8173.8000110.8I65 R66 S71 V72 A73 L81 L88I65-I69 HydrophobicContact CG2-CD1 3.86Å; I65-I69 HydrophobicContact CG2-CG1 4.4Å; I65-I69 WeakPolarHBondContact O-CG1 3.35Å; I65-I69 PolarHBondContact O-N 2.76Å; R66-I69 PolarHBondContact O-N 3.26Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 3.26Å; I69-V72 PolarHBondContact O-N 3.25Å; I69-V72 VanDerWaalsContact O-N 3.16Å; I69-A73 VanDerWaalsContact O-CB 3.26Å; I69-A73 WeakPolarHBondContact O-CB 3.44Å; I69-A73 PolarHBondContact O-N 3.11Å; I69-L81 HydrophobicContact CG2-CB 4.22Å; I69-L81 VanDerWaalsContact CG2-O 3.23Å; I69-L81 WeakPolarHBondContact CG2-O 3.35Å; I69-L88 HydrophobicContact CD1-CD1 3.67Å
70C96Very high95.2Very high0 Ų052.6 Ų52.60%026%0.258CS..Hα-helixtrans-56.7-43.5173.4-70.10000111.8F13 I17 R66 Y68 V72 A73 N74 S85F13-C70 HydrophobicContact CE1-CB 4.49Å; F13-C70 HydrophobicContact CZ-CB 3.96Å; I17-C70 HydrophobicContact CD1-CB 3.8Å; I17-C70 HydrophobicContact CG1-CB 3.89Å; R66-C70 PolarHBondContact O-N 2.85Å; R66-C70 PolarHBondContact O-SG 2.62Å; R66-C70 VanDerWaalsContact O-SG 3.36Å; Y68-C70 PolarHBondContact O-N 3.4Å; C70-V72 VanDerWaalsContact C-N 3.33Å; C70-V72 PolarHBondContact O-N 2.9Å; C70-A73 PolarHBondContact O-N 3.43Å; C70-N74 WeakPolarHBondContact O-CB 3.24Å; C70-N74 PolarHBondContact O-N 3.19Å; C70-S85 VanDerWaalsContact SG-CB 3.51Å; C70-S85 PolarHBondContact SG-OG 2.89Å; C70-S85 VanDerWaalsContact SG-OG 3.38Å
71S94.8Very high95.1Very high13 Ų1354 Ų549%0.09127%0.266CS..Hα-helixtrans-66.1-34.9178.6-56.70000112.3I17 L67 Y68 I69 R75I17-S71 WeakPolarHBondContact CG2-OG 3.31Å; L67-S71 WeakPolarHBondContact O-CB 3.19Å; L67-S71 PolarHBondContact O-N 3.45Å; L67-S71 PolarHBondContact O-OG 3.17Å; Y68-S71 WeakPolarHBondContact O-CB 3.4Å; Y68-S71 PolarHBondContact O-N 3.33Å; Y68-S71 VanDerWaalsContact O-N 3.1Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 3.26Å; S71-R75 WeakPolarHBondContact O-CG 3.4Å; S71-R75 PolarHBondContact O-N 3.49Å; S71-R75 PolarHBondContact O-NE 3.01Å
72V94.7Very high94.9Very high37 Ų3749.2 Ų49.222%0.22424%0.242CC..Hα-helixtrans-72.3-48.1173.9178.80000110.1Y68 I69 C70 N74 R75 S76 L81Y68-V72 HydrophobicContact CD1-CG2 4.29Å; Y68-V72 HydrophobicContact CE1-CG2 3.85Å; Y68-V72 HydrophobicContact CE2-CG2 4.29Å; Y68-V72 WeakPolarHBondContact O-CG2 3.38Å; Y68-V72 PolarHBondContact O-N 2.88Å; I69-V72 PolarHBondContact O-N 3.25Å; I69-V72 VanDerWaalsContact O-N 3.16Å; C70-V72 VanDerWaalsContact C-N 3.33Å; C70-V72 PolarHBondContact O-N 2.9Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.41Å; V72-R75 PolarHBondContact O-N 3.36Å; V72-R75 VanDerWaalsContact O-N 3.11Å; V72-S76 WeakPolarHBondContact O-CB 3.25Å; V72-S76 PolarHBondContact O-N 3.45Å; V72-S76 PolarHBondContact O-OG 2.91Å; V72-S76 VanDerWaalsContact O-OG 3.09Å; V72-L81 HydrophobicContact CB-CD1 4.49Å; V72-L81 HydrophobicContact CG1-CD1 3.7Å
73A93.4Very high94.8Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-56.4-41.2179.900000112.3I69 C70 Q77 S78 L81 L82I69-A73 VanDerWaalsContact O-CB 3.26Å; I69-A73 WeakPolarHBondContact O-CB 3.44Å; I69-A73 PolarHBondContact O-N 3.11Å; C70-A73 PolarHBondContact O-N 3.43Å; A73-Q77 CarbonylContact O-C 3.55Å; A73-Q77 VanDerWaalsContact O-CA 3.24Å; A73-Q77 WeakPolarHBondContact O-CA 3.43Å; A73-Q77 PolarHBondContact O-N 3.37Å; A73-S78 PolarHBondContact O-N 3.08Å; A73-L81 HydrophobicContact CB-CB 3.66Å; A73-L82 HydrophobicContact CB-CB 4.12Å
74N92.8Very high94.7Very high0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-67.5-39.4177.9-168.636000112.8S10 F13 Q14 I17 C70 V72S10-N74 PolarHBondContact N-OD1 3.19Å; F13-N74 HydrophobicContact CD1-CB 3.78Å; F13-N74 HydrophobicContact CE1-CB 3.98Å; Q14-N74 PolarHBondContact OE1-ND2 2.86Å; I17-N74 HydrophobicContact CD1-CB 4.25Å; C70-N74 WeakPolarHBondContact O-CB 3.24Å; C70-N74 PolarHBondContact O-N 3.19Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.41Å
75R90.6Very high94.7Very high173 Ų17345.8 Ų45.865%0.65324%0.24SC*.Hα-helixtrans-72.9-37.2178.8-73.2-177.6-69.1164-1112.4S71 V72S71-R75 WeakPolarHBondContact O-CG 3.4Å; S71-R75 PolarHBondContact O-N 3.49Å; S71-R75 PolarHBondContact O-NE 3.01Å; V72-R75 PolarHBondContact O-N 3.36Å; V72-R75 VanDerWaalsContact O-N 3.11Å
76S91.2Very high94.6Very high63 Ų6344.3 Ų44.344%0.44123%0.23SC..THydrogen-bonded Turntrans-90.60179.572.10000113.3V72 S78V72-S76 WeakPolarHBondContact O-CB 3.25Å; V72-S76 PolarHBondContact O-N 3.45Å; V72-S76 PolarHBondContact O-OG 2.91Å; V72-S76 VanDerWaalsContact O-OG 3.09Å; S76-S78 PolarHBondContact O-N 2.95Å; S76-S78 VanDerWaalsContact OG-CB 3.23Å; S76-S78 WeakPolarHBondContact OG-CB 3.35Å; S76-S78 PolarHBondContact OG-N 2.95Å
77Q89.5Confident94.6Very high60 Ų6049 Ų4928%0.2826%0.259SS..THydrogen-bonded Turntrans4539.1-171.4-62178.1-38.700112.6K8 A73 S79 F135 E138K8-Q77 PolarHBondContact O-NE2 3.2Å; A73-Q77 CarbonylContact O-C 3.55Å; A73-Q77 VanDerWaalsContact O-CA 3.24Å; A73-Q77 WeakPolarHBondContact O-CA 3.43Å; A73-Q77 PolarHBondContact O-N 3.37Å; Q77-S79 PolarHBondContact O-N 2.99Å; Q77-F135 HydrophobicContact CB-CB 4.24Å; Q77-F135 HydrophobicContact CB-CD1 3.71Å; Q77-F135 HydrophobicContact CB-CD2 4.46Å; Q77-F135 HydrophobicContact CB-CE1 4.22Å; Q77-F135 HydrophobicContact CB-CG 3.88Å; Q77-F135 HydrophobicContact CG-CD1 3.7Å; Q77-F135 HydrophobicContact CG-CE1 3.91Å; Q77-F135 HydrophobicContact CG-CG 4.39Å; Q77-E138 PolarHBondContact NE2-OE2 2.92Å
78S91.9Very high94.6Very high30 Ų3050 Ų5021%0.2126%0.264CS..  trans-94.1107.8-174179.50000110.7A73 S76 I80 L81 L82A73-S78 PolarHBondContact O-N 3.08Å; S76-S78 PolarHBondContact O-N 2.95Å; S76-S78 VanDerWaalsContact OG-CB 3.23Å; S76-S78 WeakPolarHBondContact OG-CB 3.35Å; S76-S78 PolarHBondContact OG-N 2.95Å; S78-I80 PolarHBondContact O-N 3.34Å; S78-L81 PolarHBondContact O-N 3.27Å; S78-L81 PolarHBondContact OG-N 3.06Å; S78-L82 WeakPolarHBondContact O-CB 3.34Å; S78-L82 PolarHBondContact O-N 3.33Å
79S91.5Very high94.6Very high20 Ų2043 Ų4314%0.1424%0.237CC..Hα-helixtrans-60.3-30.9172.8-57.20000112.8Q77 L82 A83 N136Q77-S79 PolarHBondContact O-N 2.99Å; S79-L82 PolarHBondContact O-N 3.19Å; S79-A83 WeakPolarHBondContact O-CB 3.39Å; S79-A83 PolarHBondContact O-N 2.9Å; S79-N136 PolarHBondContact OG-ND2 3.43Å
80I94.5Very high94.6Very high141 Ų14143 Ų4372%0.72325%0.246SC*.Hα-helixtrans-67.5-48.2177.9-60.3171.4000110.4S78 L82 A83 A84S78-I80 PolarHBondContact O-N 3.34Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.02Å; I80-A83 PolarHBondContact O-N 3.34Å; I80-A84 PolarHBondContact O-N 2.86Å
81L95.7Very high94.7Very high59 Ų5945.6 Ų45.631%0.30926%0.259SS..Hα-helixtrans-65-37.2176.7-68.5178.2000111.5I69 V72 A73 S78 A84 S85I69-L81 HydrophobicContact CG2-CB 4.22Å; I69-L81 VanDerWaalsContact CG2-O 3.23Å; I69-L81 WeakPolarHBondContact CG2-O 3.35Å; V72-L81 HydrophobicContact CB-CD1 4.49Å; V72-L81 HydrophobicContact CG1-CD1 3.7Å; A73-L81 HydrophobicContact CB-CB 3.66Å; S78-L81 PolarHBondContact O-N 3.27Å; S78-L81 PolarHBondContact OG-N 3.06Å; L81-A84 PolarHBondContact O-N 3.36Å; L81-S85 PolarHBondContact O-N 3.45Å
82L94.6Very high94.9Very high0 Ų045 Ų450%026%0.255CS..Hα-helixtrans-62.8-44.1175-175.359.2000111.4F13 A73 S78 S79 I80 A84 S85 Y86 G128 F132 F135F13-L82 HydrophobicContact CE1-CD1 3.76Å; F13-L82 HydrophobicContact CE2-CD1 4.24Å; F13-L82 HydrophobicContact CZ-CD1 3.38Å; A73-L82 HydrophobicContact CB-CB 4.12Å; S78-L82 WeakPolarHBondContact O-CB 3.34Å; S78-L82 PolarHBondContact O-N 3.33Å; S79-L82 PolarHBondContact O-N 3.19Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.02Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.41Å; L82-S85 WeakPolarHBondContact O-CB 3.42Å; L82-S85 PolarHBondContact O-N 3.5Å; L82-S85 VanDerWaalsContact O-N 3.16Å; L82-S85 PolarHBondContact O-OG 3.43Å; L82-Y86 HydrophobicContact CD1-CE1 4.17Å; L82-Y86 PolarHBondContact O-N 2.93Å; L82-Y86 VanDerWaalsContact O-N 3.15Å; L82-G128 WeakPolarHBondContact CD2-O 3.31Å; L82-F132 HydrophobicContact CD2-CB 3.78Å; L82-F132 HydrophobicContact CD2-CD2 4.14Å; L82-F132 HydrophobicContact CD2-CG 4.48Å; L82-F135 HydrophobicContact CD2-CD2 4.34Å; L82-F135 HydrophobicContact CD2-CE2 4.06Å
83A95.4Very high95Very high48 Ų4845.8 Ų45.840%0.39726%0.26SS..Hα-helixtrans-61.3-41.6174.500000112.1S79 I80 S85 Y86 V87S79-A83 WeakPolarHBondContact O-CB 3.39Å; S79-A83 PolarHBondContact O-N 2.9Å; I80-A83 PolarHBondContact O-N 3.34Å; A83-S85 VanDerWaalsContact C-N 3.3Å; A83-S85 PolarHBondContact O-N 2.9Å; A83-Y86 WeakPolarHBondContact O-CB 3.36Å; A83-Y86 PolarHBondContact O-N 3.3Å; A83-V87 PolarHBondContact O-N 3.45Å
84A96.6Very high95.2Very high43 Ų4351.7 Ų51.736%0.35529%0.291SS..Hα-helixtrans-60.6-39.5174.400000112I80 L81 L82 Y86 V87 L88I80-A84 PolarHBondContact O-N 2.86Å; L81-A84 PolarHBondContact O-N 3.36Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.41Å; A84-Y86 PolarHBondContact O-N 3.34Å; A84-V87 PolarHBondContact O-N 3.28Å; A84-L88 PolarHBondContact O-N 3.28Å
85S96.8Very high95.4Very high0 Ų054.3 Ų54.30%030%0.301CS..Hα-helixtrans-63.1-29.5174.982.50000112.8R66 C70 L81 L82 A83 L88 L89R66-S85 WeakPolarHBondContact CG-O 3.46Å; C70-S85 VanDerWaalsContact SG-CB 3.51Å; C70-S85 PolarHBondContact SG-OG 2.89Å; C70-S85 VanDerWaalsContact SG-OG 3.38Å; L81-S85 PolarHBondContact O-N 3.45Å; L82-S85 WeakPolarHBondContact O-CB 3.42Å; L82-S85 PolarHBondContact O-N 3.5Å; L82-S85 VanDerWaalsContact O-N 3.16Å; L82-S85 PolarHBondContact O-OG 3.43Å; A83-S85 VanDerWaalsContact C-N 3.3Å; A83-S85 PolarHBondContact O-N 2.9Å; S85-L88 PolarHBondContact O-N 2.63Å; S85-L89 PolarHBondContact O-N 3.38Å
86Y96.7Very high95.7Very high45 Ų4546.1 Ų46.118%0.17627%0.27CS..Hα-helixtrans-75.6-31.8176.6-74-3000113.5L82 A83 A84 L88 L89 G90 F125 G128 I129L82-Y86 HydrophobicContact CD1-CE1 4.17Å; L82-Y86 PolarHBondContact O-N 2.93Å; L82-Y86 VanDerWaalsContact O-N 3.15Å; A83-Y86 WeakPolarHBondContact O-CB 3.36Å; A83-Y86 PolarHBondContact O-N 3.3Å; A84-Y86 PolarHBondContact O-N 3.34Å; Y86-L88 VanDerWaalsContact C-N 3.29Å; Y86-L89 HydrophobicContact CD1-CD2 4.47Å; Y86-L89 WeakPolarHBondContact O-CB 3.33Å; Y86-L89 PolarHBondContact O-N 3.4Å; Y86-G90 PolarHBondContact O-N 2.98Å; Y86-F125 HydrophobicContact CD1-CD2 4.49Å; Y86-F125 HydrophobicContact CD2-CD2 4.22Å; Y86-F125 HydrophobicContact CD2-CE2 4.01Å; Y86-F125 HydrophobicContact CE1-CD2 4.24Å; Y86-F125 AromaticContact CE2-CD2 3.94Å; Y86-F125 HydrophobicContact CE2-CD2 3.94Å; Y86-F125 AromaticContact CE2-CE2 3.87Å; Y86-F125 HydrophobicContact CE2-CE2 3.87Å; Y86-F125 HydrophobicContact CG-CD2 4.46Å; Y86-F125 AromaticContact CZ-CD2 3.91Å; Y86-F125 PolarHBondContact OH-O 2.95Å; Y86-G128 WeakPolarHBondContact OH-CA 3.41Å; Y86-I129 HydrophobicContact CE2-CG1 4.48Å; Y86-I129 PolarHBondContact OH-N 3.31Å
87V97.8Very high95.9Very high100 Ų10046.8 Ų46.861%0.60627%0.272SS*.Hα-helixtrans-60.2-45.9169.3177.80000109.6A83 A84 L89 G90 I91A83-V87 PolarHBondContact O-N 3.45Å; A84-V87 PolarHBondContact O-N 3.28Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 2.95Å; V87-G90 PolarHBondContact O-N 3.46Å; V87-I91 WeakPolarHBondContact O-CG1 3.46Å; V87-I91 PolarHBondContact O-N 2.78Å
88L97.8Very high96.1Very high26 Ų2649 Ų4914%0.13628%0.277CS..Hα-helixtrans-65.1-35.5175.7-66.3172.3000112.7F62 I65 R66 I69 A84 S85 Y86 G90 I91 C92F62-L88 HydrophobicContact CD1-CD2 3.73Å; F62-L88 HydrophobicContact CE1-CD2 4.24Å; I65-L88 HydrophobicContact CG2-CD1 3.88Å; R66-L88 HydrophobicContact CB-CB 3.84Å; R66-L88 HydrophobicContact CB-CD1 4.16Å; R66-L88 HydrophobicContact CG-CB 3.88Å; I69-L88 HydrophobicContact CD1-CD1 3.67Å; A84-L88 PolarHBondContact O-N 3.28Å; S85-L88 PolarHBondContact O-N 2.63Å; Y86-L88 VanDerWaalsContact C-N 3.29Å; L88-G90 VanDerWaalsContact C-N 3.32Å; L88-I91 HydrophobicContact CD2-CD1 4.19Å; L88-I91 PolarHBondContact O-N 2.87Å; L88-C92 PolarHBondContact O-N 3.16Å; L88-C92 PolarHBondContact O-SG 3.07Å
89L97.8Very high96.1Very high10 Ų1047.7 Ų47.75%0.05227%0.268CS..Hα-helixtrans-59.4-45.5172.5-17167.7000110.8S85 Y86 V87 I91 C92 V93 Y121 F125S85-L89 PolarHBondContact O-N 3.38Å; Y86-L89 HydrophobicContact CD1-CD2 4.47Å; Y86-L89 WeakPolarHBondContact O-CB 3.33Å; Y86-L89 PolarHBondContact O-N 3.4Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 2.95Å; L89-I91 VanDerWaalsContact C-N 3.31Å; L89-I91 PolarHBondContact O-N 3.31Å; L89-C92 PolarHBondContact O-N 3.2Å; L89-C92 VanDerWaalsContact O-N 3.16Å; L89-V93 VanDerWaalsContact O-CG2 3.31Å; L89-V93 WeakPolarHBondContact O-CG2 3.36Å; L89-V93 PolarHBondContact O-N 3.15Å; L89-Y121 HydrophobicContact CD1-CD1 3.83Å; L89-Y121 HydrophobicContact CD1-CD2 4.31Å; L89-Y121 HydrophobicContact CD1-CE1 4.46Å; L89-Y121 HydrophobicContact CD1-CG 3.74Å; L89-F125 HydrophobicContact CD2-CB 3.92Å; L89-F125 HydrophobicContact CD2-CD2 4.13Å; L89-F125 HydrophobicContact CD2-CG 4.48Å
90G97.7Very high96.2Very high36 Ų3649 Ų4937%0.37128%0.275SS..Hα-helixtrans-57.3-4417500000112.3Y86 V87 L88 V93 L94Y86-G90 PolarHBondContact O-N 2.98Å; V87-G90 PolarHBondContact O-N 3.46Å; L88-G90 VanDerWaalsContact C-N 3.32Å; G90-V93 PolarHBondContact O-N 3.3Å; G90-L94 WeakPolarHBondContact O-CG 3.43Å; G90-L94 PolarHBondContact O-N 3.16Å
91I98Very high96Very high54 Ų5448.3 Ų48.328%0.27727%0.27SS..Hα-helixtrans-60.4-46.5174.7-65169000111F62 V87 L88 L89 V93 L94 Y95F62-I91 HydrophobicContact CD1-CG2 4.34Å; F62-I91 HydrophobicContact CD2-CG2 4.21Å; F62-I91 HydrophobicContact CE2-CG2 4.44Å; F62-I91 HydrophobicContact CG-CG2 4.17Å; V87-I91 WeakPolarHBondContact O-CG1 3.46Å; V87-I91 PolarHBondContact O-N 2.78Å; L88-I91 HydrophobicContact CD2-CD1 4.19Å; L88-I91 PolarHBondContact O-N 2.87Å; L89-I91 VanDerWaalsContact C-N 3.31Å; L89-I91 PolarHBondContact O-N 3.31Å; I91-V93 VanDerWaalsContact C-N 3.31Å; I91-V93 PolarHBondContact O-N 3.24Å; I91-L94 WeakPolarHBondContact O-CB 3.46Å; I91-L94 PolarHBondContact O-N 3.44Å; I91-L94 VanDerWaalsContact O-N 3.16Å; I91-Y95 HydrophobicContact CG2-CD2 3.95Å; I91-Y95 HydrophobicContact CG2-CE2 3.66Å; I91-Y95 VanDerWaalsContact O-CD2 3.26Å; I91-Y95 WeakPolarHBondContact O-CD2 3.35Å; I91-Y95 PolarHBondContact O-N 2.94Å; I91-Y95 VanDerWaalsContact O-N 3.08Å
92C97.9Very high95.5Very high0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-62.3-37.8177.9-62.20000112.2L88 L89 Y95 C96 Y121L88-C92 PolarHBondContact O-N 3.16Å; L88-C92 PolarHBondContact O-SG 3.07Å; L89-C92 PolarHBondContact O-N 3.2Å; L89-C92 VanDerWaalsContact O-N 3.16Å; C92-Y95 WeakPolarHBondContact O-CB 3.23Å; C92-Y95 PolarHBondContact O-N 2.95Å; C92-C96 PolarHBondContact O-N 3.34Å; C92-C96 PolarHBondContact O-SG 2.9Å; C92-Y121 HydrophobicContact CB-CE2 3.74Å
93V97.3Very high95.1Very high54 Ų5450.1 Ų50.133%0.32727%0.273SS..Hα-helixtrans-64.8-39.7175172.60000111.1L89 G90 I91 Y95 C96 V97 Y121L89-V93 VanDerWaalsContact O-CG2 3.31Å; L89-V93 WeakPolarHBondContact O-CG2 3.36Å; L89-V93 PolarHBondContact O-N 3.15Å; G90-V93 PolarHBondContact O-N 3.3Å; I91-V93 VanDerWaalsContact C-N 3.31Å; I91-V93 PolarHBondContact O-N 3.24Å; V93-Y95 VanDerWaalsContact C-N 3.32Å; V93-Y95 PolarHBondContact O-N 3.48Å; V93-C96 WeakPolarHBondContact O-CB 3.48Å; V93-C96 PolarHBondContact O-N 2.72Å; V93-C96 VanDerWaalsContact O-N 3.16Å; V93-V97 WeakPolarHBondContact O-CG2 3.29Å; V93-V97 PolarHBondContact O-N 3.26Å; V93-Y121 HydrophobicContact CG2-CD2 3.87Å
94L97.5Very high94.5Very high124 Ų12452.7 Ų52.765%0.64928%0.28SS*.Hα-helixtrans-61.7-40.6174.6-68.9173.3000111.8G90 I91 V97 W98G90-L94 WeakPolarHBondContact O-CG 3.43Å; G90-L94 PolarHBondContact O-N 3.16Å; I91-L94 WeakPolarHBondContact O-CB 3.46Å; I91-L94 PolarHBondContact O-N 3.44Å; I91-L94 VanDerWaalsContact O-N 3.16Å; L94-V97 PolarHBondContact O-N 2.9Å; L94-W98 PolarHBondContact O-N 3.11Å
95Y97.5Very high93.7Very high54 Ų5459.3 Ų59.321%0.21230%0.301CS..Hα-helixtrans-59.6-46.2171.2-80.2-70.5000111.9V55 S58 M59 F62 I91 C92 V93 V97 W98 I99V55-Y95 HydrophobicContact CG1-CD1 3.68Å; V55-Y95 HydrophobicContact CG1-CE1 3.93Å; S58-Y95 WeakPolarHBondContact CB-OH 3.32Å; S58-Y95 VanDerWaalsContact OG-CE1 3.23Å; S58-Y95 WeakPolarHBondContact OG-CE1 3.35Å; S58-Y95 VanDerWaalsContact OG-CZ 3.25Å; S58-Y95 PolarHBondContact OG-OH 3.28Å; M59-Y95 HydrophobicContact CB-CD1 4.06Å; M59-Y95 HydrophobicContact CB-CD2 4.04Å; M59-Y95 HydrophobicContact CB-CG 3.76Å; M59-Y95 HydrophobicContact CG-CD2 4.24Å; M59-Y95 HydrophobicContact CG-CG 4Å; F62-Y95 AromaticContact CD2-CE2 3.64Å; F62-Y95 HydrophobicContact CD2-CE2 3.64Å; F62-Y95 HydrophobicContact CE2-CE2 4.03Å; I91-Y95 HydrophobicContact CG2-CD2 3.95Å; I91-Y95 HydrophobicContact CG2-CE2 3.66Å; I91-Y95 VanDerWaalsContact O-CD2 3.26Å; I91-Y95 WeakPolarHBondContact O-CD2 3.35Å; I91-Y95 PolarHBondContact O-N 2.94Å; I91-Y95 VanDerWaalsContact O-N 3.08Å; C92-Y95 WeakPolarHBondContact O-CB 3.23Å; C92-Y95 PolarHBondContact O-N 2.95Å; V93-Y95 VanDerWaalsContact C-N 3.32Å; V93-Y95 PolarHBondContact O-N 3.48Å; Y95-V97 VanDerWaalsContact C-N 3.3Å; Y95-V97 PolarHBondContact O-N 3.32Å; Y95-W98 WeakPolarHBondContact O-CB 3.37Å; Y95-W98 PolarHBondContact O-N 3.39Å; Y95-W98 VanDerWaalsContact O-N 3.17Å; Y95-I99 WeakPolarHBondContact O-CG1 3.41Å; Y95-I99 PolarHBondContact O-N 3.15Å
96C96.3Very high92.8Very high2 Ų261.8 Ų61.81%0.01432%0.316CS..Hα-helixtrans-58.1-41.8175.7-70.90000112.4M59 C92 V93 I99 V100 V114 V118M59-C96 WeakPolarHBondContact CE-SG 3.3Å; C92-C96 PolarHBondContact O-N 3.34Å; C92-C96 PolarHBondContact O-SG 2.9Å; V93-C96 WeakPolarHBondContact O-CB 3.48Å; V93-C96 PolarHBondContact O-N 2.72Å; V93-C96 VanDerWaalsContact O-N 3.16Å; C96-I99 PolarHBondContact O-N 3.16Å; C96-V100 WeakPolarHBondContact O-CB 3.37Å; C96-V100 WeakPolarHBondContact O-CG2 3.33Å; C96-V100 PolarHBondContact O-N 3.1Å; C96-V114 HydrophobicContact CB-CG1 3.69Å; C96-V118 HydrophobicContact CB-CG2 3.65Å
97V95.1Very high92.3Very high77 Ų7760.1 Ų60.147%0.46731%0.311SS..Hα-helixtrans-61.1-45.8176.3171.90000110.6V93 L94 Y95 I99 V100 M101V93-V97 WeakPolarHBondContact O-CG2 3.29Å; V93-V97 PolarHBondContact O-N 3.26Å; L94-V97 PolarHBondContact O-N 2.9Å; Y95-V97 VanDerWaalsContact C-N 3.3Å; Y95-V97 PolarHBondContact O-N 3.32Å; V97-I99 PolarHBondContact O-N 2.95Å; V97-V100 PolarHBondContact O-N 3.02Å; V97-M101 HydrophobicContact CG1-SD 4.47Å; V97-M101 WeakPolarHBondContact O-CG 3.43Å; V97-M101 PolarHBondContact O-N 2.94Å
98W93.5Very high91.9Very high105 Ų10562.7 Ų62.740%0.39831%0.314SS..Hα-helixtrans-60.1-46.3177-175.891.2000111.8V55 L94 Y95 V100 M101 W102V55-W98 HydrophobicContact CB-CE3 4.37Å; V55-W98 HydrophobicContact CB-CH2 4.24Å; V55-W98 HydrophobicContact CB-CZ3 3.91Å; V55-W98 HydrophobicContact CG1-CD2 4.29Å; V55-W98 HydrophobicContact CG1-CE3 3.56Å; V55-W98 HydrophobicContact CG1-CH2 4.3Å; V55-W98 HydrophobicContact CG1-CZ3 3.57Å; V55-W98 HydrophobicContact CG2-CE3 4.47Å; V55-W98 HydrophobicContact CG2-CH2 3.9Å; V55-W98 HydrophobicContact CG2-CZ2 4.25Å; V55-W98 HydrophobicContact CG2-CZ3 4.02Å; L94-W98 PolarHBondContact O-N 3.11Å; Y95-W98 WeakPolarHBondContact O-CB 3.37Å; Y95-W98 PolarHBondContact O-N 3.39Å; Y95-W98 VanDerWaalsContact O-N 3.17Å; W98-V100 PolarHBondContact O-N 2.76Å; W98-M101 PolarHBondContact O-N 3.47Å; W98-W102 PolarHBondContact O-N 3.44Å
99I92.7Very high91.5Very high3 Ų365.6 Ų65.62%0.01533%0.328CS..Hα-helixtrans-61.9-44.7178.2-63.5162.7000110.3L56 M59 Y95 C96 V97 M101 W102 Q103 E110 V114L56-I99 HydrophobicContact CD2-CD1 3.57Å; L56-I99 HydrophobicContact CD2-CG1 4.45Å; L56-I99 HydrophobicContact CG-CD1 4.46Å; M59-I99 HydrophobicContact SD-CD1 3.49Å; M59-I99 WeakPolarHBondContact SD-CD1 3.45Å; Y95-I99 WeakPolarHBondContact O-CG1 3.41Å; Y95-I99 PolarHBondContact O-N 3.15Å; C96-I99 PolarHBondContact O-N 3.16Å; V97-I99 PolarHBondContact O-N 2.95Å; I99-M101 VanDerWaalsContact C-N 3.34Å; I99-M101 PolarHBondContact O-N 3.36Å; I99-W102 PolarHBondContact O-N 2.82Å; I99-Q103 HydrophobicContact CG2-CG 3.89Å; I99-Q103 WeakPolarHBondContact O-CB 3.44Å; I99-Q103 VanDerWaalsContact O-CG 3.31Å; I99-Q103 WeakPolarHBondContact O-CG 3.46Å; I99-Q103 PolarHBondContact O-N 2.98Å; I99-E110 WeakPolarHBondContact CG2-OE1 3.26Å; I99-V114 HydrophobicContact CB-CG2 4.33Å; I99-V114 HydrophobicContact CG2-CG2 3.68Å
100V92.6Very high91.2Very high47 Ų4765.1 Ų65.129%0.28533%0.326SS..Hα-helixtrans-59.1-46.4177.2166.40000111.1C96 V97 W98 W102 Q103 L104 L111 V114C96-V100 WeakPolarHBondContact O-CB 3.37Å; C96-V100 WeakPolarHBondContact O-CG2 3.33Å; C96-V100 PolarHBondContact O-N 3.1Å; V97-V100 PolarHBondContact O-N 3.02Å; W98-V100 PolarHBondContact O-N 2.76Å; V100-W102 VanDerWaalsContact C-N 3.27Å; V100-W102 PolarHBondContact O-N 3.29Å; V100-Q103 PolarHBondContact O-N 3.47Å; V100-L104 WeakPolarHBondContact O-CG 3.4Å; V100-L104 PolarHBondContact O-N 3.21Å; V100-L104 VanDerWaalsContact O-N 3.13Å; V100-L111 HydrophobicContact CB-CD2 4.21Å; V100-L111 HydrophobicContact CG1-CD2 4Å; V100-L111 HydrophobicContact CG2-CD2 4.21Å; V100-V114 HydrophobicContact CG2-CB 4.23Å; V100-V114 HydrophobicContact CG2-CG1 3.67Å
101M90.2Very high91Very high127 Ų12764.9 Ų64.963%0.62632%0.316SS*.Hα-helixtrans-59.7-39.6178.6-71.7-170.176.200112.2V97 W98 I99V97-M101 HydrophobicContact CG1-SD 4.47Å; V97-M101 WeakPolarHBondContact O-CG 3.43Å; V97-M101 PolarHBondContact O-N 2.94Å; W98-M101 PolarHBondContact O-N 3.47Å; I99-M101 VanDerWaalsContact C-N 3.34Å; I99-M101 PolarHBondContact O-N 3.36Å
102W85.7Confident90.7Very high96 Ų9670 Ų7036%0.36433%0.333SS..Hα-helixtrans-70.3-45.7177.7-171.2-103.9000112.4W98 I99 V100 L104 T106W98-W102 PolarHBondContact O-N 3.44Å; I99-W102 PolarHBondContact O-N 2.82Å; V100-W102 VanDerWaalsContact C-N 3.27Å; V100-W102 PolarHBondContact O-N 3.29Å; W102-L104 VanDerWaalsContact C-N 3.32Å; W102-L104 PolarHBondContact O-N 2.9Å; W102-T106 PolarHBondContact O-OG1 3.48Å
103Q86.5Confident90.5Very high1 Ų173.2 Ų73.21%0.00535%0.347CS..Hα-helixtrans-78.4-9.6-173.9-59.9-54.9-21.900115E52 I99 V100 F105 T106 E110 L111E52-Q103 PolarHBondContact OE2-NE2 2.91Å; I99-Q103 HydrophobicContact CG2-CG 3.89Å; I99-Q103 WeakPolarHBondContact O-CB 3.44Å; I99-Q103 VanDerWaalsContact O-CG 3.31Å; I99-Q103 WeakPolarHBondContact O-CG 3.46Å; I99-Q103 PolarHBondContact O-N 2.98Å; V100-Q103 PolarHBondContact O-N 3.47Å; Q103-F105 PolarHBondContact O-N 3.36Å; Q103-F105 VanDerWaalsContact O-N 3.12Å; Q103-T106 WeakPolarHBondContact CA-OG1 3.49Å; Q103-T106 PolarHBondContact O-N 3.03Å; Q103-T106 PolarHBondContact OE1-OG1 2.97Å; Q103-E110 HydrophobicContact CB-CB 4.39Å; Q103-E110 HydrophobicContact CG-CB 3.93Å; Q103-E110 VanDerWaalsContact CG-CD 3.43Å; Q103-E110 HydrophobicContact CG-CG 3.97Å; Q103-E110 WeakPolarHBondContact CG-OE1 3.44Å; Q103-E110 VanDerWaalsContact NE2-CD 3.26Å; Q103-E110 PolarHBondContact NE2-OE1 2.95Å; Q103-E110 PolarHBondContact NE2-OE2 2.96Å; Q103-E110 PolarHBondContact OE1-OE2 3.44Å; Q103-L111 HydrophobicContact CB-CD2 3.78Å; Q103-L111 HydrophobicContact CB-CG 4.05Å
104L82.1Confident90.5Very high103 Ų10370.6 Ų70.654%0.53933%0.331SS..THydrogen-bonded Turntrans-55.4-27.3172.5-83.4168.8000112.8V100 W102 L111V100-L104 WeakPolarHBondContact O-CG 3.4Å; V100-L104 PolarHBondContact O-N 3.21Å; V100-L104 VanDerWaalsContact O-N 3.13Å; W102-L104 VanDerWaalsContact C-N 3.32Å; W102-L104 PolarHBondContact O-N 2.9Å; L104-L111 HydrophobicContact CD2-CD1 4.16Å
105F79.4Confident90.3Very high181 Ų18167.6 Ų67.679%0.79432%0.321SS*.THydrogen-bonded Turntrans-102.9-7.5-174.5-57.6-70.1000114.4Q103Q103-F105 PolarHBondContact O-N 3.36Å; Q103-F105 VanDerWaalsContact O-N 3.12Å
106T79.6Confident90.1Very high53 Ų5368.2 Ų68.233%0.32533%0.33SS..SBendtrans-130-77-164.546.40000111.7Y44 W102 Q103Y44-T106 VanDerWaalsContact OH-CB 3.29Å; Y44-T106 WeakPolarHBondContact OH-CB 3.32Å; Y44-T106 WeakPolarHBondContact OH-CG2 3.44Å; W102-T106 PolarHBondContact O-OG1 3.48Å; Q103-T106 WeakPolarHBondContact CA-OG1 3.49Å; Q103-T106 PolarHBondContact O-N 3.03Å; Q103-T106 PolarHBondContact OE1-OG1 2.97Å
107V85.6Confident90.1Very high10 Ų1068.3 Ų68.36%0.06133%0.33CS..  trans-122.196.8-170.1-177.30000111.9V34 K38 L42 I109 E110V34-V107 HydrophobicContact CG1-CG1 4.15Å; K38-V107 HydrophobicContact CD-CG2 4.47Å; K38-V107 HydrophobicContact CG-CG2 4.1Å; L42-V107 HydrophobicContact CD1-CG2 4.32Å; V107-I109 HydrophobicContact CG1-CG2 3.47Å; V107-I109 VanDerWaalsContact CG1-CG2 3.47Å; V107-I109 PolarHBondContact O-N 3.47Å; V107-I109 VanDerWaalsContact O-N 3.14Å; V107-E110 HydrophobicContact CG1-CB 4.42Å; V107-E110 WeakPolarHBondContact O-CB 3.43Å; V107-E110 PolarHBondContact O-N 3.01Å; V107-E110 VanDerWaalsContact O-N 3.1Å
108K89Confident90.2Very high154 Ų15467.4 Ų67.467%0.6733%0.325SS*.Hα-helixtrans-58.7-29.4-178.2-64.6-177-1781780114.3E110 L111 Y112K108-E110 PolarHBondContact O-N 3.1Å; K108-L111 WeakPolarHBondContact O-CB 3.38Å; K108-L111 PolarHBondContact O-N 2.88Å; K108-Y112 WeakPolarHBondContact O-CD2 3.42Å; K108-Y112 PolarHBondContact O-N 3.09Å
109I90.3Very high90.3Very high87 Ų8767.5 Ų67.545%0.44633%0.332SS..Hα-helixtrans-65.3-31.5-180-167.9164.1000112.4V34 V107 L111 Y112 F113V34-I109 HydrophobicContact CG2-CG2 4.15Å; V107-I109 HydrophobicContact CG1-CG2 3.47Å; V107-I109 VanDerWaalsContact CG1-CG2 3.47Å; V107-I109 PolarHBondContact O-N 3.47Å; V107-I109 VanDerWaalsContact O-N 3.14Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.3Å; I109-Y112 WeakPolarHBondContact O-CB 3.47Å; I109-Y112 PolarHBondContact O-N 3.31Å; I109-F113 HydrophobicContact CD1-CE2 4.29Å; I109-F113 HydrophobicContact CD1-CZ 4.12Å; I109-F113 HydrophobicContact CG1-CD2 4.47Å; I109-F113 HydrophobicContact CG1-CE2 3.81Å; I109-F113 HydrophobicContact CG1-CZ 3.93Å; I109-F113 PolarHBondContact O-N 3.31Å
110E91.6Very high90.4Very high0 Ų069.3 Ų69.30%034%0.34CS..Hα-helixtrans-68.5-34.5177.9-157.6176.2141.200111.5Q31 V34 K38 I99 Q103 V107 K108 Y112 F113 V114Q31-E110 PolarHBondContact OE1-OE1 2.93Å; V34-E110 WeakPolarHBondContact CG1-OE2 3.16Å; K38-E110 VanDerWaalsContact CE-OE2 3.27Å; K38-E110 WeakPolarHBondContact CE-OE2 3.23Å; K38-E110 IonicContact NZ-OE1 3.19Å; K38-E110 IonicContact NZ-OE2 2.77Å; K38-E110 PolarHBondContact NZ-OE2 3.09Å; I99-E110 WeakPolarHBondContact CG2-OE1 3.26Å; Q103-E110 HydrophobicContact CB-CB 4.39Å; Q103-E110 HydrophobicContact CG-CB 3.93Å; Q103-E110 VanDerWaalsContact CG-CD 3.43Å; Q103-E110 HydrophobicContact CG-CG 3.97Å; Q103-E110 WeakPolarHBondContact CG-OE1 3.44Å; Q103-E110 VanDerWaalsContact NE2-CD 3.26Å; Q103-E110 PolarHBondContact NE2-OE1 2.95Å; Q103-E110 PolarHBondContact NE2-OE2 2.96Å; Q103-E110 PolarHBondContact OE1-OE2 3.44Å; V107-E110 HydrophobicContact CG1-CB 4.42Å; V107-E110 WeakPolarHBondContact O-CB 3.43Å; V107-E110 PolarHBondContact O-N 3.01Å; V107-E110 VanDerWaalsContact O-N 3.1Å; K108-E110 PolarHBondContact O-N 3.1Å; E110-Y112 VanDerWaalsContact C-N 3.28Å; E110-Y112 PolarHBondContact O-N 2.72Å; E110-F113 PolarHBondContact O-N 3.44Å; E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 2.78Å
111L92Very high90.7Very high30 Ų3067.3 Ų67.316%0.15733%0.327CS..Hα-helixtrans-58.5-40.7172.2-62.5172.8000111.6V100 Q103 L104 K108 I109 S115V100-L111 HydrophobicContact CB-CD2 4.21Å; V100-L111 HydrophobicContact CG1-CD2 4Å; V100-L111 HydrophobicContact CG2-CD2 4.21Å; Q103-L111 HydrophobicContact CB-CD2 3.78Å; Q103-L111 HydrophobicContact CB-CG 4.05Å; L104-L111 HydrophobicContact CD2-CD1 4.16Å; K108-L111 WeakPolarHBondContact O-CB 3.38Å; K108-L111 PolarHBondContact O-N 2.88Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.3Å; L111-S115 VanDerWaalsContact O-CB 3.27Å; L111-S115 WeakPolarHBondContact O-CB 3.49Å; L111-S115 PolarHBondContact O-N 2.9Å; L111-S115 PolarHBondContact O-OG 3.28Å
112Y92.7Very high90.9Very high162 Ų16263 Ų6364%0.63532%0.315SS*.Hα-helixtrans-64.6-44.5176.8-63.5-58.2000111.2K108 I109 E110 S115 V116K108-Y112 WeakPolarHBondContact O-CD2 3.42Å; K108-Y112 PolarHBondContact O-N 3.09Å; I109-Y112 WeakPolarHBondContact O-CB 3.47Å; I109-Y112 PolarHBondContact O-N 3.31Å; E110-Y112 VanDerWaalsContact C-N 3.28Å; E110-Y112 PolarHBondContact O-N 2.72Å; Y112-S115 PolarHBondContact O-N 2.8Å; Y112-V116 WeakPolarHBondContact O-CG2 3.23Å; Y112-V116 PolarHBondContact O-N 3.49Å
113F94.2Very high91.4Very high67 Ų6762.4 Ų62.429%0.29432%0.319SS..Hα-helixtrans-62.6-44.8178-64.7-39.5000112.4F27 S30 V34 I109 E110 S115 V116 L117F27-F113 HydrophobicContact CD2-CB 3.84Å; F27-F113 HydrophobicContact CE2-CB 3.69Å; S30-F113 WeakPolarHBondContact OG-CD2 3.41Å; V34-F113 HydrophobicContact CG2-CD2 4.45Å; V34-F113 HydrophobicContact CG2-CE2 4.12Å; I109-F113 HydrophobicContact CD1-CE2 4.29Å; I109-F113 HydrophobicContact CD1-CZ 4.12Å; I109-F113 HydrophobicContact CG1-CD2 4.47Å; I109-F113 HydrophobicContact CG1-CE2 3.81Å; I109-F113 HydrophobicContact CG1-CZ 3.93Å; I109-F113 PolarHBondContact O-N 3.31Å; E110-F113 PolarHBondContact O-N 3.44Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-V116 PolarHBondContact O-N 3.23Å; F113-L117 PolarHBondContact O-N 2.99Å
114V95.4Very high91.7Very high0 Ų062.4 Ų62.40%032%0.318CS..Hα-helixtrans-65.5-39.8177.41770000111F27 C96 I99 V100 E110 V116 L117 V118F27-V114 HydrophobicContact CE2-CG2 3.89Å; F27-V114 HydrophobicContact CZ-CG2 3.78Å; C96-V114 HydrophobicContact CB-CG1 3.69Å; I99-V114 HydrophobicContact CB-CG2 4.33Å; I99-V114 HydrophobicContact CG2-CG2 3.68Å; V100-V114 HydrophobicContact CG2-CB 4.23Å; V100-V114 HydrophobicContact CG2-CG1 3.67Å; E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 2.78Å; V114-V116 VanDerWaalsContact C-N 3.35Å; V114-V116 PolarHBondContact O-N 3.36Å; V114-L117 WeakPolarHBondContact O-CB 3.29Å; V114-L117 PolarHBondContact O-N 3.39Å; V114-V118 HydrophobicContact CG1-CG2 4.3Å; V114-V118 WeakPolarHBondContact O-CG2 3.26Å; V114-V118 PolarHBondContact O-N 3.09Å
115S93.6Very high92.4Very high61 Ų6161.9 Ų61.943%0.42731%0.312SS..Hα-helixtrans-60.8-44.5176.8-60.40000111.6L111 Y112 F113 L117 V118 I119L111-S115 VanDerWaalsContact O-CB 3.27Å; L111-S115 WeakPolarHBondContact O-CB 3.49Å; L111-S115 PolarHBondContact O-N 2.9Å; L111-S115 PolarHBondContact O-OG 3.28Å; Y112-S115 PolarHBondContact O-N 2.8Å; F113-S115 VanDerWaalsContact C-N 3.34Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 3.23Å; S115-V118 PolarHBondContact O-N 3.29Å; S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 2.82Å; S115-I119 VanDerWaalsContact O-N 3.08Å
116V94.4Very high93.2Very high67 Ų6757.1 Ų57.141%0.40630%0.3SS..Hα-helixtrans-60.2-46.4174.8172.10000110.4Y112 F113 V114 V118 I119 F120Y112-V116 WeakPolarHBondContact O-CG2 3.23Å; Y112-V116 PolarHBondContact O-N 3.49Å; F113-V116 PolarHBondContact O-N 3.23Å; V114-V116 VanDerWaalsContact C-N 3.35Å; V114-V116 PolarHBondContact O-N 3.36Å; V116-V118 VanDerWaalsContact C-N 3.35Å; V116-V118 PolarHBondContact O-N 3.11Å; V116-I119 WeakPolarHBondContact O-CB 3.49Å; V116-I119 PolarHBondContact O-N 2.88Å; V116-F120 HydrophobicContact CG1-CD2 3.91Å; V116-F120 HydrophobicContact CG1-CE2 3.79Å; V116-F120 VanDerWaalsContact O-CD2 3.26Å; V116-F120 WeakPolarHBondContact O-CD2 3.38Å; V116-F120 PolarHBondContact O-N 3.45Å; V116-F120 VanDerWaalsContact O-N 3.16Å
117L96.5Very high93.8Very high3 Ų356.2 Ų56.22%0.01630%0.295CS..Hα-helixtrans-59.1-43.8178.7-175.964.6000112.3I23 F27 M59 F113 V114 S115 I119 F120 Y121I23-L117 HydrophobicContact CG2-CD1 3.92Å; F27-L117 HydrophobicContact CD1-CD2 3.82Å; F27-L117 HydrophobicContact CD2-CB 4.35Å; F27-L117 HydrophobicContact CD2-CD2 4.16Å; F27-L117 HydrophobicContact CE1-CD2 3.79Å; F27-L117 HydrophobicContact CE2-CD2 4.15Å; F27-L117 HydrophobicContact CG-CD2 4.01Å; F27-L117 HydrophobicContact CZ-CD2 3.98Å; M59-L117 HydrophobicContact CE-CD2 3.34Å; F113-L117 PolarHBondContact O-N 2.99Å; V114-L117 WeakPolarHBondContact O-CB 3.29Å; V114-L117 PolarHBondContact O-N 3.39Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 3.23Å; L117-I119 VanDerWaalsContact C-N 3.33Å; L117-I119 PolarHBondContact O-N 3.02Å; L117-F120 PolarHBondContact O-N 2.98Å; L117-F120 VanDerWaalsContact O-N 3.11Å; L117-Y121 HydrophobicContact CD1-CD1 4.49Å; L117-Y121 HydrophobicContact CD1-CE1 3.85Å; L117-Y121 HydrophobicContact CD2-CE2 4.31Å; L117-Y121 HydrophobicContact CG-CE1 4.05Å; L117-Y121 HydrophobicContact CG-CE2 4.09Å; L117-Y121 PolarHBondContact O-N 2.88Å
118V96.4Very high94.2Very high59 Ų5955.8 Ų55.836%0.35829%0.292SS..Hα-helixtrans-63.7-37177.6171.50000112C96 V114 S115 V116 F120 Y121 G122C96-V118 HydrophobicContact CB-CG2 3.65Å; V114-V118 HydrophobicContact CG1-CG2 4.3Å; V114-V118 WeakPolarHBondContact O-CG2 3.26Å; V114-V118 PolarHBondContact O-N 3.09Å; S115-V118 PolarHBondContact O-N 3.29Å; V116-V118 VanDerWaalsContact C-N 3.35Å; V116-V118 PolarHBondContact O-N 3.11Å; V118-F120 VanDerWaalsContact C-N 3.3Å; V118-F120 PolarHBondContact O-N 3.43Å; V118-Y121 WeakPolarHBondContact O-CB 3.15Å; V118-Y121 PolarHBondContact O-N 3.07Å; V118-G122 PolarHBondContact O-N 3.49Å
119I95.8Very high94.4Very high107 Ų10751.7 Ų51.755%0.54928%0.277SS..Hα-helixtrans-60.1-43.8173.1-68.1164.7000110.2S115 V116 L117 G122 L123S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 2.82Å; S115-I119 VanDerWaalsContact O-N 3.08Å; V116-I119 WeakPolarHBondContact O-CB 3.49Å; V116-I119 PolarHBondContact O-N 2.88Å; L117-I119 VanDerWaalsContact C-N 3.33Å; L117-I119 PolarHBondContact O-N 3.02Å; I119-G122 WeakPolarHBondContact O-CA 3.41Å; I119-G122 PolarHBondContact O-N 3.5Å; I119-G122 VanDerWaalsContact O-N 3.15Å; I119-L123 PolarHBondContact O-N 3.37Å
120F95.5Very high94.4Very high40 Ų4052 Ų5218%0.17528%0.276CS..Hα-helixtrans-68.3-32.5177-79.8-74.6000113.3L19 I23 V116 L117 V118 G122 L123 N124L19-F120 HydrophobicContact CD1-CE1 4.39Å; L19-F120 HydrophobicContact CD2-CD1 4.21Å; L19-F120 HydrophobicContact CD2-CE1 3.55Å; L19-F120 HydrophobicContact CG-CD1 4.2Å; L19-F120 HydrophobicContact CG-CE1 3.74Å; I23-F120 HydrophobicContact CB-CD2 4.38Å; I23-F120 HydrophobicContact CB-CG 4.47Å; I23-F120 HydrophobicContact CD1-CD2 3.91Å; I23-F120 HydrophobicContact CD1-CE1 4.42Å; I23-F120 HydrophobicContact CD1-CE2 3.48Å; I23-F120 VanDerWaalsContact CD1-CE2 3.48Å; I23-F120 HydrophobicContact CD1-CZ 3.77Å; I23-F120 HydrophobicContact CG1-CD1 4.07Å; I23-F120 HydrophobicContact CG1-CD2 3.76Å; I23-F120 HydrophobicContact CG1-CE1 4.08Å; I23-F120 HydrophobicContact CG1-CE2 3.77Å; I23-F120 HydrophobicContact CG1-CG 3.93Å; I23-F120 HydrophobicContact CG1-CZ 3.93Å; I23-F120 HydrophobicContact CG2-CB 4.36Å; I23-F120 HydrophobicContact CG2-CD2 3.86Å; I23-F120 HydrophobicContact CG2-CE2 4.49Å; I23-F120 HydrophobicContact CG2-CG 4.2Å; V116-F120 HydrophobicContact CG1-CD2 3.91Å; V116-F120 HydrophobicContact CG1-CE2 3.79Å; V116-F120 VanDerWaalsContact O-CD2 3.26Å; V116-F120 WeakPolarHBondContact O-CD2 3.38Å; V116-F120 PolarHBondContact O-N 3.45Å; V116-F120 VanDerWaalsContact O-N 3.16Å; L117-F120 PolarHBondContact O-N 2.98Å; L117-F120 VanDerWaalsContact O-N 3.11Å; V118-F120 VanDerWaalsContact C-N 3.3Å; V118-F120 PolarHBondContact O-N 3.43Å; F120-G122 VanDerWaalsContact C-N 3.33Å; F120-L123 HydrophobicContact CD1-CD1 3.83Å; F120-L123 HydrophobicContact CE1-CD1 3.94Å; F120-L123 PolarHBondContact O-N 3.2Å; F120-N124 WeakPolarHBondContact O-CB 2.98Å; F120-N124 PolarHBondContact O-N 3.49Å
121Y97.2Very high94.3Very high6 Ų652 Ų522%0.02428%0.276CS..Hα-helixtrans-60.5-43.1167.9-70.5-11.9000111.8D63 L89 C92 V93 L117 V118 N124 F125D63-Y121 VanDerWaalsContact CG-OH 3.23Å; D63-Y121 WeakPolarHBondContact OD2-CE1 3.26Å; D63-Y121 PolarHBondContact OD2-OH 3.29Å; L89-Y121 HydrophobicContact CD1-CD1 3.83Å; L89-Y121 HydrophobicContact CD1-CD2 4.31Å; L89-Y121 HydrophobicContact CD1-CE1 4.46Å; L89-Y121 HydrophobicContact CD1-CG 3.74Å; C92-Y121 HydrophobicContact CB-CE2 3.74Å; V93-Y121 HydrophobicContact CG2-CD2 3.87Å; L117-Y121 HydrophobicContact CD1-CD1 4.49Å; L117-Y121 HydrophobicContact CD1-CE1 3.85Å; L117-Y121 HydrophobicContact CD2-CE2 4.31Å; L117-Y121 HydrophobicContact CG-CE1 4.05Å; L117-Y121 HydrophobicContact CG-CE2 4.09Å; L117-Y121 PolarHBondContact O-N 2.88Å; V118-Y121 WeakPolarHBondContact O-CB 3.15Å; V118-Y121 PolarHBondContact O-N 3.07Å; Y121-N124 PolarHBondContact O-N 3Å; Y121-F125 WeakPolarHBondContact O-CB 3.41Å; Y121-F125 PolarHBondContact O-N 3.05Å
122G96Very high94.1Very high36 Ų3654.6 Ų54.637%0.37129%0.286SS..Hα-helixtrans-60-44.4173.100000112.7V118 I119 F120 N124 F125 C126V118-G122 PolarHBondContact O-N 3.49Å; I119-G122 WeakPolarHBondContact O-CA 3.41Å; I119-G122 PolarHBondContact O-N 3.5Å; I119-G122 VanDerWaalsContact O-N 3.15Å; F120-G122 VanDerWaalsContact C-N 3.33Å; G122-N124 PolarHBondContact O-N 2.9Å; G122-F125 WeakPolarHBondContact O-CB 3.42Å; G122-F125 PolarHBondContact O-N 3.41Å; G122-C126 PolarHBondContact O-N 2.94Å; G122-C126 PolarHBondContact O-SG 2.87Å; G122-C126 VanDerWaalsContact O-SG 3.32Å
123L94.6Very high94Very high84 Ų8451.9 Ų51.944%0.4428%0.282SS..Hα-helixtrans-62.5-41.5175.2-70.4173.1000112.3I119 F120 F125 C126 T127I119-L123 PolarHBondContact O-N 3.37Å; F120-L123 HydrophobicContact CD1-CD1 3.83Å; F120-L123 HydrophobicContact CE1-CD1 3.94Å; F120-L123 PolarHBondContact O-N 3.2Å; L123-F125 VanDerWaalsContact C-N 3.32Å; L123-C126 PolarHBondContact O-N 2.92Å; L123-T127 WeakPolarHBondContact O-CG2 3.41Å; L123-T127 PolarHBondContact O-N 3.46Å; L123-T127 PolarHBondContact O-OG1 3.23Å
124N94.4Very high93.6Very high0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-66.2-36.6177.6-163-110.7000111.9S16 R66 F120 Y121 G122 T127 G128S16-N124 WeakPolarHBondContact OG-CA 3.14Å; S16-N124 PolarHBondContact OG-ND2 3.45Å; S16-N124 VanDerWaalsContact OG-ND2 3.1Å; R66-N124 PolarHBondContact NH1-OD1 3.14Å; F120-N124 WeakPolarHBondContact O-CB 2.98Å; F120-N124 PolarHBondContact O-N 3.49Å; Y121-N124 PolarHBondContact O-N 3Å; G122-N124 PolarHBondContact O-N 2.9Å; N124-T127 PolarHBondContact O-OG1 3.21Å; N124-G128 PolarHBondContact O-N 3.46Å
125F95.9Very high93.2Very high92 Ų9250.1 Ų50.140%0.40428%0.277SS..Hα-helixtrans-64.2-47.8172.7-177.4-104000112.3Y86 L89 Y121 G122 L123 T127 G128 I129Y86-F125 HydrophobicContact CD1-CD2 4.49Å; Y86-F125 HydrophobicContact CD2-CD2 4.22Å; Y86-F125 HydrophobicContact CD2-CE2 4.01Å; Y86-F125 HydrophobicContact CE1-CD2 4.24Å; Y86-F125 AromaticContact CE2-CD2 3.94Å; Y86-F125 HydrophobicContact CE2-CD2 3.94Å; Y86-F125 AromaticContact CE2-CE2 3.87Å; Y86-F125 HydrophobicContact CE2-CE2 3.87Å; Y86-F125 HydrophobicContact CG-CD2 4.46Å; Y86-F125 AromaticContact CZ-CD2 3.91Å; Y86-F125 PolarHBondContact OH-O 2.95Å; L89-F125 HydrophobicContact CD2-CB 3.92Å; L89-F125 HydrophobicContact CD2-CD2 4.13Å; L89-F125 HydrophobicContact CD2-CG 4.48Å; Y121-F125 WeakPolarHBondContact O-CB 3.41Å; Y121-F125 PolarHBondContact O-N 3.05Å; G122-F125 WeakPolarHBondContact O-CB 3.42Å; G122-F125 PolarHBondContact O-N 3.41Å; L123-F125 VanDerWaalsContact C-N 3.32Å; F125-T127 PolarHBondContact O-N 2.95Å; F125-G128 PolarHBondContact O-N 2.94Å; F125-I129 HydrophobicContact CD1-CD1 3.86Å; F125-I129 HydrophobicContact CE1-CD1 3.39Å; F125-I129 HydrophobicContact CE1-CG1 4.4Å; F125-I129 HydrophobicContact CE2-CD1 4.43Å; F125-I129 HydrophobicContact CZ-CD1 3.72Å; F125-I129 HydrophobicContact CZ-CG1 4.41Å; F125-I129 WeakPolarHBondContact O-CG1 3.32Å; F125-I129 PolarHBondContact O-N 3.23Å
126C95.5Very high92.8Very high82 Ų8250.6 Ų50.655%0.55428%0.275SS*.Hα-helixtrans-62.6-46.1179.2-68.60000112.1G122 L123 G128 I129 H130G122-C126 PolarHBondContact O-N 2.94Å; G122-C126 PolarHBondContact O-SG 2.87Å; G122-C126 VanDerWaalsContact O-SG 3.32Å; L123-C126 PolarHBondContact O-N 2.92Å; C126-G128 VanDerWaalsContact C-N 3.34Å; C126-I129 PolarHBondContact O-N 2.98Å; C126-H130 PolarHBondContact O-N 3.42Å
127T93.7Very high92.1Very high34 Ų3451.3 Ų51.321%0.20928%0.283CS..Hα-helixtrans-70.5-30.9179.354.20000112.7S16 L123 N124 F125 H130 G131S16-T127 WeakPolarHBondContact CB-OG1 3.47Å; S16-T127 PolarHBondContact OG-OG1 3.46Å; S16-T127 VanDerWaalsContact OG-OG1 3.09Å; L123-T127 WeakPolarHBondContact O-CG2 3.41Å; L123-T127 PolarHBondContact O-N 3.46Å; L123-T127 PolarHBondContact O-OG1 3.23Å; N124-T127 PolarHBondContact O-OG1 3.21Å; F125-T127 PolarHBondContact O-N 2.95Å; T127-H130 WeakPolarHBondContact O-CB 3.47Å; T127-H130 PolarHBondContact O-N 3.16Å; T127-G131 PolarHBondContact O-N 3.3Å
128G92.8Very high90.7Very high0 Ų055.9 Ų55.90%031%0.305CS..Hα-helixtrans-71.1-32.3172.200000112.4F13 L82 Y86 N124 F125 C126 H130 G131 F132F13-G128 VanDerWaalsContact CE2-CA 3.47Å; L82-G128 WeakPolarHBondContact CD2-O 3.31Å; Y86-G128 WeakPolarHBondContact OH-CA 3.41Å; N124-G128 PolarHBondContact O-N 3.46Å; F125-G128 PolarHBondContact O-N 2.94Å; C126-G128 VanDerWaalsContact C-N 3.34Å; G128-H130 VanDerWaalsContact C-N 3.29Å; G128-H130 PolarHBondContact O-N 3.42Å; G128-G131 CarbonylContact O-C 3.52Å; G128-G131 WeakPolarHBondContact O-CA 3.5Å; G128-G131 PolarHBondContact O-N 3.4Å; G128-G131 VanDerWaalsContact O-N 3.09Å; G128-F132 PolarHBondContact O-N 2.8Å
129I93.3Very high88.6Confident68 Ų6862 Ų6235%0.34933%0.333SS..Hα-helixtrans-61.2-44.4171.9-72.7167.7000109.4Y86 F125 C126 G131 F132 I133Y86-I129 HydrophobicContact CE2-CG1 4.48Å; Y86-I129 PolarHBondContact OH-N 3.31Å; F125-I129 HydrophobicContact CD1-CD1 3.86Å; F125-I129 HydrophobicContact CE1-CD1 3.39Å; F125-I129 HydrophobicContact CE1-CG1 4.4Å; F125-I129 HydrophobicContact CE2-CD1 4.43Å; F125-I129 HydrophobicContact CZ-CD1 3.72Å; F125-I129 HydrophobicContact CZ-CG1 4.41Å; F125-I129 WeakPolarHBondContact O-CG1 3.32Å; F125-I129 PolarHBondContact O-N 3.23Å; C126-I129 PolarHBondContact O-N 2.98Å; I129-G131 VanDerWaalsContact C-N 3.29Å; I129-G131 PolarHBondContact O-N 2.93Å; I129-F132 WeakPolarHBondContact O-CB 3.24Å; I129-F132 PolarHBondContact O-N 2.8Å; I129-F132 VanDerWaalsContact O-N 3.16Å; I129-I133 HydrophobicContact CG2-CD1 4Å; I129-I133 WeakPolarHBondContact O-CG1 3.47Å; I129-I133 PolarHBondContact O-N 2.95Å
130H90.4Very high88.2Confident93 Ų9359.8 Ų59.843%0.43132%0.322SS..Hα-helixtrans-59.2-42173.3179.7-87000111.7C126 T127 G128 I133 S134C126-H130 PolarHBondContact O-N 3.42Å; T127-H130 WeakPolarHBondContact O-CB 3.47Å; T127-H130 PolarHBondContact O-N 3.16Å; G128-H130 VanDerWaalsContact C-N 3.29Å; G128-H130 PolarHBondContact O-N 3.42Å; H130-I133 PolarHBondContact O-N 3Å; H130-S134 WeakPolarHBondContact O-CB 3.44Å; H130-S134 PolarHBondContact O-N 3.36Å
131G88.9Confident87.8Confident0 Ų060.8 Ų60.80%033%0.33CS..Hα-helixtrans-58.2-45.4171.900000113T127 G128 I129 I133 S134 F135T127-G131 PolarHBondContact O-N 3.3Å; G128-G131 CarbonylContact O-C 3.52Å; G128-G131 WeakPolarHBondContact O-CA 3.5Å; G128-G131 PolarHBondContact O-N 3.4Å; G128-G131 VanDerWaalsContact O-N 3.09Å; I129-G131 VanDerWaalsContact C-N 3.29Å; I129-G131 PolarHBondContact O-N 2.93Å; G131-I133 PolarHBondContact O-N 3.43Å; G131-S134 WeakPolarHBondContact O-CB 3.37Å; G131-S134 PolarHBondContact O-N 2.98Å; G131-F135 VanDerWaalsContact O-CD1 3.31Å; G131-F135 WeakPolarHBondContact O-CD1 3.41Å; G131-F135 VanDerWaalsContact O-CD2 3.3Å; G131-F135 WeakPolarHBondContact O-CD2 3.41Å; G131-F135 WeakPolarHBondContact O-CG 3.39Å; G131-F135 PolarHBondContact O-N 3.45Å
132F89.6Confident87.3Confident86 Ų8663.8 Ų63.838%0.37735%0.347SS..Hα-helixtrans-59.8-46.5178.3-169.4-82.7000111.8L82 G128 I129 F135 N136L82-F132 HydrophobicContact CD2-CB 3.78Å; L82-F132 HydrophobicContact CD2-CD2 4.14Å; L82-F132 HydrophobicContact CD2-CG 4.48Å; G128-F132 PolarHBondContact O-N 2.8Å; I129-F132 WeakPolarHBondContact O-CB 3.24Å; I129-F132 PolarHBondContact O-N 2.8Å; I129-F132 VanDerWaalsContact O-N 3.16Å; F132-F135 PolarHBondContact O-N 3.02Å; F132-N136 WeakPolarHBondContact CD1-ND2 3.3Å; F132-N136 VanDerWaalsContact CE1-ND2 3.32Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.31Å; F132-N136 PolarHBondContact O-N 3.01Å; F132-N136 PolarHBondContact O-ND2 3.23Å
133I89.6Confident86.8Confident105 Ų10565.5 Ų65.554%0.53835%0.346SS..Hα-helixtrans-61.6-46.7176.9-64.9165.9000109.9I129 H130 G131 F135 N136 S137I129-I133 HydrophobicContact CG2-CD1 4Å; I129-I133 WeakPolarHBondContact O-CG1 3.47Å; I129-I133 PolarHBondContact O-N 2.95Å; H130-I133 PolarHBondContact O-N 3Å; G131-I133 PolarHBondContact O-N 3.43Å; I133-F135 PolarHBondContact O-N 3.01Å; I133-N136 PolarHBondContact O-N 2.77Å; I133-S137 WeakPolarHBondContact O-CB 3.08Å; I133-S137 PolarHBondContact O-N 3.49Å; I133-S137 PolarHBondContact O-OG 3.03Å
134S86.6Confident86.3Confident26 Ų2664.3 Ų64.318%0.18234%0.34CS..Hα-helixtrans-58.7-46179.6-1690000112.1H130 G131 N136 S137 E138H130-S134 WeakPolarHBondContact O-CB 3.44Å; H130-S134 PolarHBondContact O-N 3.36Å; G131-S134 WeakPolarHBondContact O-CB 3.37Å; G131-S134 PolarHBondContact O-N 2.98Å; S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 2.86Å; S134-S137 PolarHBondContact O-N 3.42Å; S134-S137 PolarHBondContact O-OG 3.33Å; S134-E138 PolarHBondContact O-N 3.41Å
135F87.4Confident85.8Confident3 Ų368.6 Ų68.61%0.01336%0.363CS..Hα-helixtrans-66.1-34.2-177.9-57.6-20.8000112.7F13 Q77 L82 G131 F132 I133F13-F135 HydrophobicContact CD1-CZ 4.5Å; Q77-F135 HydrophobicContact CB-CB 4.24Å; Q77-F135 HydrophobicContact CB-CD1 3.71Å; Q77-F135 HydrophobicContact CB-CD2 4.46Å; Q77-F135 HydrophobicContact CB-CE1 4.22Å; Q77-F135 HydrophobicContact CB-CG 3.88Å; Q77-F135 HydrophobicContact CG-CD1 3.7Å; Q77-F135 HydrophobicContact CG-CE1 3.91Å; Q77-F135 HydrophobicContact CG-CG 4.39Å; L82-F135 HydrophobicContact CD2-CD2 4.34Å; L82-F135 HydrophobicContact CD2-CE2 4.06Å; G131-F135 VanDerWaalsContact O-CD1 3.31Å; G131-F135 WeakPolarHBondContact O-CD1 3.41Å; G131-F135 VanDerWaalsContact O-CD2 3.3Å; G131-F135 WeakPolarHBondContact O-CD2 3.41Å; G131-F135 WeakPolarHBondContact O-CG 3.39Å; G131-F135 PolarHBondContact O-N 3.45Å; F132-F135 PolarHBondContact O-N 3.02Å; I133-F135 PolarHBondContact O-N 3.01Å
136N84.5Confident85.1Confident71 Ų7166.9 Ų66.938%0.3836%0.36SS..Hα-helixtrans-84.1-22.7178.4-71.2-80.8000113.2S79 F132 I133 S134 E138S79-N136 PolarHBondContact OG-ND2 3.43Å; F132-N136 WeakPolarHBondContact CD1-ND2 3.3Å; F132-N136 VanDerWaalsContact CE1-ND2 3.32Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.31Å; F132-N136 PolarHBondContact O-N 3.01Å; F132-N136 PolarHBondContact O-ND2 3.23Å; I133-N136 PolarHBondContact O-N 2.77Å; S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 2.86Å; N136-E138 VanDerWaalsContact C-N 3.29Å
137S80.4Confident84.3Confident83 Ų8365.8 Ų65.858%0.5835%0.345SS*.Hα-helixtrans-76-16.8175.766.60000114.1I133 S134I133-S137 WeakPolarHBondContact O-CB 3.08Å; I133-S137 PolarHBondContact O-N 3.49Å; I133-S137 PolarHBondContact O-OG 3.03Å; S134-S137 PolarHBondContact O-N 3.42Å; S134-S137 PolarHBondContact O-OG 3.33Å
138E66.2Low83.5Confident99 Ų9968.4 Ų68.446%0.46336%0.356SS..THydrogen-bonded Turntrans-90-6.5177.9-71.1-175177.500113.5Q77 S134 N136Q77-E138 PolarHBondContact NE2-OE2 2.92Å; S134-E138 PolarHBondContact O-N 3.41Å; N136-E138 VanDerWaalsContact C-N 3.29Å
139I52.2Low82.6Confident187 Ų18774.6 Ų74.696%0.95939%0.388SS*.  trans-92.10175.6-61.8165000109.6

Retrieved 139 of 139 residues in 46.6 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).