G4M0U2_SCHMA Loading...

Trafficking protein particle complex subunit

Core component of the TRAPP complexes which has a function of guanine nucleotide exchange factor activity for Rab1 GTPase. Plays a role in vesicular transport from endoplasmic reticulum to Golgi and autophagy. May play a role in dendrite postsynaptic membrane trafficking.

AlphaFold DB , UniProt , Accession G4M0U2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80Confident93.4Very high136 Ų13629.7 Ų29.767%0.6714%0.143SC*.  0123.20-56.8179-76.500105.3K180 L181M1-K180 HydrophobicContact CG-CB 3.76Å; M1-K180 HydrophobicContact CG-CD 4.44Å; M1-K180 HydrophobicContact SD-CB 3.79Å; M1-L181 HydrophobicContact CB-CD2 3.71Å; M1-L181 HydrophobicContact CB-CG 3.96Å; M1-L181 HydrophobicContact SD-CD2 4.43Å
2S89.9Confident93.3Very high30 Ų3033.6 Ų33.621%0.2118%0.176CC..  trans-133.8153.8-169.8-161.70000111.5S22 D178 E229S2-S22 WeakPolarHBondContact OG-CB 3.35Å; S2-S22 PolarHBondContact OG-OG 3.2Å; S2-D178 WeakPolarHBondContact O-CB 3.39Å; S2-D178 PolarHBondContact O-N 2.8Å; S2-E229 WeakPolarHBondContact CA-OE1 3.49Å; S2-E229 WeakPolarHBondContact CB-OE1 3.36Å; S2-E229 PolarHBondContact OG-OE1 3.46Å
3V93.6Very high93.3Very high0 Ų031.4 Ų31.40%017%0.166CC..EExtended strand (participates in β ladder)trans-83.8123.9164.7177.50000107H21 S22 L175 T177 L181 C225 V228 E229V3-H21 HydrophobicContact CG1-CB 4.42Å; V3-H21 WeakPolarHBondContact O-CB 3.42Å; V3-H21 PolarHBondContact O-CD2 3.2Å; V3-H21 VanDerWaalsContact O-CD2 3.25Å; V3-S22 WeakPolarHBondContact O-CB 3.36Å; V3-S22 PolarHBondContact O-N 3.22Å; V3-S22 PolarHBondContact O-OG 3.08Å; V3-S22 VanDerWaalsContact O-OG 3.04Å; V3-L175 HydrophobicContact CG1-CD1 3.58Å; V3-L175 HydrophobicContact CG1-CG 4.46Å; V3-T177 HydrophobicContact CG2-CG2 4.31Å; V3-L181 HydrophobicContact CG2-CD1 4.15Å; V3-C225 HydrophobicContact CB-CB 4.24Å; V3-C225 HydrophobicContact CG1-CB 4.25Å; V3-C225 HydrophobicContact CG2-CB 4.45Å; V3-V228 HydrophobicContact CG2-CB 3.88Å; V3-V228 HydrophobicContact CG2-CG1 3.63Å; V3-E229 HydrophobicContact CG2-CG 4.01Å; V3-E229 PolarHBondContact N-OE1 2.69Å
4Y93.8Very high93.4Very high52 Ų5232.6 Ų32.620%0.20418%0.178CC..EExtended strand (participates in β ladder)trans-77.3-45.2179.4-59-48.8000111.3H21 S22 V24 C159 C160 V176 T177 D178Y4-H21 PolarHBondContact O-N 3.27Å; Y4-S22 WeakPolarHBondContact CD1-OG 3.04Å; Y4-S22 PolarHBondContact O-N 3.48Å; Y4-V24 HydrophobicContact CD1-CG2 3.54Å; Y4-V24 HydrophobicContact CE1-CG2 3.21Å; Y4-C159 PolarHBondContact OH-O 3.37Å; Y4-C160 HydrophobicContact CD2-CB 4.01Å; Y4-C160 HydrophobicContact CE2-CB 3.58Å; Y4-V176 HydrophobicContact CD2-CG1 3.81Å; Y4-V176 HydrophobicContact CG-CG1 4.41Å; Y4-V176 PolarHBondContact N-O 3.08Å; Y4-T177 VanDerWaalsContact CE2-C 3.41Å; Y4-T177 VanDerWaalsContact CE2-O 3.32Å; Y4-T177 WeakPolarHBondContact CE2-O 3.37Å; Y4-D178 HydrophobicContact CE2-CB 4.38Å
5G94.4Very high93.6Very high1 Ų131.4 Ų31.41%0.0117%0.172CC..EExtended strand (participates in β ladder)trans177.9178.3179.800000113.9Y19 V176G5-Y19 CarbonylContact C-O 3.59Å; G5-Y19 WeakPolarHBondContact CA-O 3.49Å; G5-V176 PolarHBondContact N-O 3.25Å; G5-V176 PolarHBondContact O-N 3.38Å
6L96.8Very high93.8Very high1 Ų129.7 Ų29.71%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-132.7142.4-177.1-174.6138.5000110.7V8 F17 Y18 Y19 L174 L175 V192 I221L6-V8 HydrophobicContact CD2-CG2 3.9Å; L6-F17 HydrophobicContact CD2-CD1 4.3Å; L6-F17 HydrophobicContact CD2-CE1 4.3Å; L6-Y18 CarbonylContact O-C 3.08Å; L6-Y18 VanDerWaalsContact O-CA 3.23Å; L6-Y18 WeakPolarHBondContact O-CA 3.24Å; L6-Y19 PolarHBondContact N-O 3.07Å; L6-Y19 PolarHBondContact O-N 3.09Å; L6-L174 CarbonylContact C-O 3.54Å; L6-L174 VanDerWaalsContact CA-O 3.25Å; L6-L174 WeakPolarHBondContact CA-O 3.28Å; L6-L175 HydrophobicContact CD1-CD1 4.32Å; L6-V192 HydrophobicContact CD1-CB 4.23Å; L6-V192 HydrophobicContact CD1-CG1 3.75Å; L6-V192 HydrophobicContact CD1-CG2 3.45Å; L6-V192 VanDerWaalsContact CD1-CG2 3.45Å; L6-V192 HydrophobicContact CD2-CG1 4.16Å; L6-I221 HydrophobicContact CB-CG2 4.16Å; L6-I221 HydrophobicContact CD1-CD1 4.35Å; L6-I221 HydrophobicContact CD1-CG2 4.13Å; L6-I221 HydrophobicContact CD2-CD1 4.47Å; L6-I221 HydrophobicContact CD2-CG2 4.44Å; L6-I221 HydrophobicContact CG-CG2 4.47Å
7Y97.3Very high93.9Very high31 Ų3128.5 Ų28.512%0.12216%0.155CC..EExtended strand (participates in β ladder)trans-129.8142.1175.9-58.3-102.4000110.4L15 R108 F173 L174 V176Y7-L15 HydrophobicContact CD1-CD1 3.91Å; Y7-R108 HydrophobicContact CE1-CB 4.22Å; Y7-R108 HydrophobicContact CE1-CG 4.16Å; Y7-R108 PolarHBondContact OH-NH1 3.1Å; Y7-F173 WeakPolarHBondContact O-CA 3.47Å; Y7-L174 HydrophobicContact CD2-CB 4.49Å; Y7-L174 PolarHBondContact N-O 3.05Å; Y7-L174 PolarHBondContact O-N 3.13Å; Y7-V176 HydrophobicContact CD2-CG2 4.15Å; Y7-V176 HydrophobicContact CE2-CG2 3.85Å
8V97.5Very high94.1Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-117117.2171.8-173.60000108L6 Q16 F17 V171 F173 Y196 F212 F217L6-V8 HydrophobicContact CD2-CG2 3.9Å; V8-Q16 HydrophobicContact CG1-CB 4.41Å; V8-Q16 PolarHBondContact O-N 3.29Å; V8-F17 HydrophobicContact CB-CB 4.04Å; V8-F17 HydrophobicContact CG2-CB 4.07Å; V8-F17 HydrophobicContact CG2-CD1 3.98Å; V8-F17 HydrophobicContact CG2-CG 4.47Å; V8-F17 PolarHBondContact N-O 3.19Å; V8-F17 PolarHBondContact O-N 2.86Å; V8-V171 HydrophobicContact CG1-CG1 3.87Å; V8-F173 HydrophobicContact CB-CD1 4.44Å; V8-F173 HydrophobicContact CB-CE1 4.4Å; V8-F173 HydrophobicContact CG1-CD1 4.17Å; V8-F173 HydrophobicContact CG1-CE1 3.77Å; V8-F173 HydrophobicContact CG1-CZ 4.29Å; V8-F173 HydrophobicContact CG2-CD1 3.78Å; V8-F173 HydrophobicContact CG2-CE1 3.82Å; V8-Y196 HydrophobicContact CG1-CD2 4.39Å; V8-Y196 HydrophobicContact CG1-CE2 4.14Å; V8-F212 HydrophobicContact CG1-CZ 4.48Å; V8-F212 HydrophobicContact CG2-CZ 4.5Å; V8-F217 HydrophobicContact CG2-CE1 4.41Å; V8-F217 HydrophobicContact CG2-CZ 4.32Å
9I96.8Very high94.1Very high0 Ų032.7 Ų32.70%017%0.167CC..EExtended strand (participates in β ladder)trans-114.8132.3-176.4-52177.5000108.3S14 A112 F115 V171 K172 L174I9-S14 CarbonylContact C-O 3.54Å; I9-S14 WeakPolarHBondContact CA-O 3.29Å; I9-A112 HydrophobicContact CD1-CB 3.8Å; I9-A112 HydrophobicContact CG1-CB 3.92Å; I9-F115 HydrophobicContact CD1-CB 4.27Å; I9-F115 HydrophobicContact CD1-CD1 4.19Å; I9-F115 HydrophobicContact CD1-CG 4.5Å; I9-V171 WeakPolarHBondContact O-CA 3.46Å; I9-V171 WeakPolarHBondContact O-CG1 3.29Å; I9-K172 HydrophobicContact CB-CB 4.26Å; I9-K172 PolarHBondContact N-O 3.34Å; I9-K172 PolarHBondContact O-N 3.04Å; I9-L174 HydrophobicContact CD1-CD1 3.57Å; I9-L174 HydrophobicContact CD1-CG 4.09Å
10S94.9Very high94.1Very high0 Ų034.1 Ų34.10%017%0.174CC..  trans-64.9169.2179.772.70000113.2S12 G13 S14 N209S10-S12 PolarHBondContact O-N 2.99Å; S10-S12 PolarHBondContact OG-N 3.5Å; S10-S12 PolarHBondContact OG-OG 3.19Å; S10-G13 PolarHBondContact O-N 3.44Å; S10-G13 VanDerWaalsContact O-N 3.08Å; S10-G13 PolarHBondContact OG-N 3.06Å; S10-S14 PolarHBondContact N-O 3.06Å; S10-S14 WeakPolarHBondContact OG-CB 3.44Å; S10-S14 PolarHBondContact OG-N 2.95Å; S10-S14 PolarHBondContact OG-O 3.44Å; S10-N209 VanDerWaalsContact CB-OD1 3.32Å; S10-N209 WeakPolarHBondContact CB-OD1 3.23Å
11E92.9Very high94Very high76 Ų7634.3 Ų34.336%0.35518%0.175SC..THydrogen-bonded Turntrans-57.2-31.8169.572.6-169.9149.100112.3H116 G170 N209E11-H116 PolarHBondContact O-CE1 3.36Å; E11-G170 WeakPolarHBondContact CA-O 3.36Å; E11-N209 PolarHBondContact OE1-ND2 2.94Å
12S92.1Very high94.2Very high76 Ų7629.1 Ų29.153%0.53115%0.152SC..THydrogen-bonded Turntrans-86.40.5178.458.30000114.7S10S10-S12 PolarHBondContact O-N 2.99Å; S10-S12 PolarHBondContact OG-N 3.5Å; S10-S12 PolarHBondContact OG-OG 3.19Å
13G93.3Very high93.5Very high5 Ų532.2 Ų32.25%0.05217%0.166CC..SBendtrans86.53.4-179.600000115.7S10 S113 H116S10-G13 PolarHBondContact O-N 3.44Å; S10-G13 VanDerWaalsContact O-N 3.08Å; S10-G13 PolarHBondContact OG-N 3.06Å; G13-S113 VanDerWaalsContact O-CA 3.31Å; G13-S113 WeakPolarHBondContact O-CA 3.46Å; G13-H116 VanDerWaalsContact CA-CB 3.49Å; G13-H116 VanDerWaalsContact CA-CG 3.41Å
14S94.4Very high92.4Very high48 Ų4835.6 Ų35.634%0.33619%0.186SC..  trans-76.4141.5175.5-173.90000111.6I9 S10 Q16I9-S14 CarbonylContact C-O 3.54Å; I9-S14 WeakPolarHBondContact CA-O 3.29Å; S10-S14 PolarHBondContact N-O 3.06Å; S10-S14 WeakPolarHBondContact OG-CB 3.44Å; S10-S14 PolarHBondContact OG-N 2.95Å; S10-S14 PolarHBondContact OG-O 3.44Å; S14-Q16 PolarHBondContact O-N 3.03Å
15L96.6Very high91.4Very high15 Ų1536.6 Ų36.68%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-73116.7172.5-177.662.8000110.1Y7 F17 Y18 R108 I109 A112Y7-L15 HydrophobicContact CD1-CD1 3.91Å; L15-F17 WeakPolarHBondContact CD1-O 3.34Å; L15-Y18 HydrophobicContact CD2-CD1 4.03Å; L15-R108 HydrophobicContact CD2-CB 3.78Å; L15-I109 HydrophobicContact CB-CG1 4.24Å; L15-I109 HydrophobicContact CD2-CG1 4.02Å; L15-A112 HydrophobicContact CB-CB 3.79Å; L15-A112 HydrophobicContact CD1-CB 3.92Å; L15-A112 HydrophobicContact CG-CB 4.31Å
16Q95.9Very high90.7Very high4 Ų439.8 Ų39.82%0.01921%0.214CC..EExtended strand (participates in β ladder)trans-93.7-37.9177.6-62.3-179.6-12.900112.4V8 S14 Y196 Y206 P211 F212V8-Q16 HydrophobicContact CG1-CB 4.41Å; V8-Q16 PolarHBondContact O-N 3.29Å; S14-Q16 PolarHBondContact O-N 3.03Å; Q16-Y196 PolarHBondContact OE1-OH 3Å; Q16-Y206 PolarHBondContact OE1-OH 2.67Å; Q16-P211 CarbonylContact O-C 3.57Å; Q16-P211 WeakPolarHBondContact O-CA 3.13Å; Q16-F212 HydrophobicContact CB-CD1 4.03Å; Q16-F212 HydrophobicContact CB-CE1 3.67Å; Q16-F212 PolarHBondContact O-N 3.25Å
17F96.9Very high90.2Very high9 Ų943.8 Ų43.84%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-154.2147.8-177.9174.2-90.1000110.3L6 V8 L15 F212 F217 A218 I221L6-F17 HydrophobicContact CD2-CD1 4.3Å; L6-F17 HydrophobicContact CD2-CE1 4.3Å; V8-F17 HydrophobicContact CB-CB 4.04Å; V8-F17 HydrophobicContact CG2-CB 4.07Å; V8-F17 HydrophobicContact CG2-CD1 3.98Å; V8-F17 HydrophobicContact CG2-CG 4.47Å; V8-F17 PolarHBondContact N-O 3.19Å; V8-F17 PolarHBondContact O-N 2.86Å; L15-F17 WeakPolarHBondContact CD1-O 3.34Å; F17-F212 HydrophobicContact CB-CD1 4.44Å; F17-F212 HydrophobicContact CB-CD2 4.29Å; F17-F212 HydrophobicContact CB-CE1 3.85Å; F17-F212 HydrophobicContact CB-CE2 3.67Å; F17-F212 HydrophobicContact CB-CZ 3.43Å; F17-F212 VanDerWaalsContact CB-CZ 3.43Å; F17-F212 HydrophobicContact CD2-CD2 4.14Å; F17-F212 AromaticContact CD2-CE2 3.84Å; F17-F212 HydrophobicContact CD2-CE2 3.84Å; F17-F212 HydrophobicContact CD2-CZ 4.47Å; F17-F212 WeakPolarHBondContact CD2-O 3.48Å; F17-F212 HydrophobicContact CG-CD2 4.5Å; F17-F212 AromaticContact CG-CE2 3.84Å; F17-F212 HydrophobicContact CG-CE2 3.84Å; F17-F212 HydrophobicContact CG-CZ 4.04Å; F17-F217 HydrophobicContact CD1-CD1 4.25Å; F17-F217 AromaticContact CD1-CE1 3.6Å; F17-F217 HydrophobicContact CD1-CE1 3.6Å; F17-F217 HydrophobicContact CD2-CD1 4.29Å; F17-F217 HydrophobicContact CD2-CE1 4.35Å; F17-F217 AromaticContact CE1-CD1 3.98Å; F17-F217 HydrophobicContact CE1-CD1 3.98Å; F17-F217 AromaticContact CE1-CE1 3.56Å; F17-F217 HydrophobicContact CE1-CE1 3.56Å; F17-F217 HydrophobicContact CE2-CD1 4.04Å; F17-F217 HydrophobicContact CE2-CE1 4.35Å; F17-F217 HydrophobicContact CG-CD1 4.38Å; F17-F217 AromaticContact CG-CE1 3.99Å; F17-F217 HydrophobicContact CG-CE1 3.99Å; F17-F217 AromaticContact CZ-CD1 3.87Å; F17-F217 HydrophobicContact CZ-CD1 3.87Å; F17-F217 AromaticContact CZ-CE1 3.96Å; F17-F217 HydrophobicContact CZ-CE1 3.96Å; F17-A218 HydrophobicContact CZ-CB 4.33Å; F17-I221 HydrophobicContact CE1-CG1 4.31Å
18Y96.3Very high89.9Confident89 Ų8943.3 Ų43.335%0.34923%0.234SC..EExtended strand (participates in β ladder)trans-139.5152.216769.5-84.4000110L6 L15L6-Y18 CarbonylContact O-C 3.08Å; L6-Y18 VanDerWaalsContact O-CA 3.23Å; L6-Y18 WeakPolarHBondContact O-CA 3.24Å; L15-Y18 HydrophobicContact CD2-CD1 4.03Å
19Y95.6Very high89.6Confident48 Ų4848.8 Ų48.819%0.18826%0.259CS..EExtended strand (participates in β ladder)trans-136.4125.4175.9-180-104.7000109.1G5 L6 H21 I221 K222G5-Y19 CarbonylContact C-O 3.59Å; G5-Y19 WeakPolarHBondContact CA-O 3.49Å; L6-Y19 PolarHBondContact N-O 3.07Å; L6-Y19 PolarHBondContact O-N 3.09Å; Y19-H21 HydrophobicContact CD1-CB 4.16Å; Y19-H21 HydrophobicContact CE1-CB 3.74Å; Y19-H21 AromaticContact CE1-ND1 3.74Å; Y19-I221 HydrophobicContact CD1-CG2 3.56Å; Y19-I221 HydrophobicContact CE1-CG2 4.2Å; Y19-I221 HydrophobicContact CG-CG2 3.88Å; Y19-K222 HydrophobicContact CE1-CB 4.43Å; Y19-K222 WeakPolarHBondContact OH-CB 3.3Å; Y19-K222 WeakPolarHBondContact OH-CG 3.27Å
20D92.3Very high89.3Confident60 Ų6053 Ų5332%0.32128%0.278SS..EExtended strand (participates in β ladder)trans-94.2121.5170.4-66.5-42000108.3R108D20-R108 IonicContact OD1-CZ 3.06Å; D20-R108 VanDerWaalsContact OD1-CZ 3.28Å; D20-R108 IonicContact OD1-NH1 3.88Å; D20-R108 PolarHBondContact OD1-NH1 3.23Å; D20-R108 IonicContact OD1-NH2 2.8Å; D20-R108 PolarHBondContact OD1-NH2 2.99Å; D20-R108 IonicContact OD2-CZ 3.56Å; D20-R108 IonicContact OD2-NH1 3.58Å; D20-R108 PolarHBondContact OD2-NH1 3.03Å; D20-R108 IonicContact OD2-NH2 2.65Å; D20-R108 PolarHBondContact OD2-NH2 3.33Å
21H92Very high89.1Confident40 Ų4059.1 Ų59.119%0.18530%0.304CS..  trans-97.1-46.7-179.6-177.174.3000111.3V3 Y4 Y19 C225 D226 E229V3-H21 HydrophobicContact CG1-CB 4.42Å; V3-H21 WeakPolarHBondContact O-CB 3.42Å; V3-H21 PolarHBondContact O-CD2 3.2Å; V3-H21 VanDerWaalsContact O-CD2 3.25Å; Y4-H21 PolarHBondContact O-N 3.27Å; Y19-H21 HydrophobicContact CD1-CB 4.16Å; Y19-H21 HydrophobicContact CE1-CB 3.74Å; Y19-H21 AromaticContact CE1-ND1 3.74Å; H21-C225 HydrophobicContact CB-CB 4.29Å; H21-C225 VanDerWaalsContact ND1-CB 3.31Å; H21-C225 WeakPolarHBondContact ND1-CB 3.47Å; H21-D226 IonicContact CE1-OD1 2.67Å; H21-D226 PolarHBondContact CE1-OD1 2.75Å; H21-D226 IonicContact NE2-OD1 3.34Å; H21-E229 IonicContact CD2-OE1 2.67Å; H21-E229 PolarHBondContact CD2-OE1 3.28Å; H21-E229 IonicContact CD2-OE2 3.84Å; H21-E229 VanDerWaalsContact NE2-CD 3.26Å; H21-E229 IonicContact NE2-OE1 3.19Å; H21-E229 PolarHBondContact NE2-OE1 3.06Å; H21-E229 IonicContact NE2-OE2 2.7Å; H21-E229 PolarHBondContact NE2-OE2 3.28Å
22S86Confident89.1Confident27 Ų2756.3 Ų56.319%0.18929%0.29CS..  trans-129.8133-179.980.30000111.7S2 V3 Y4S2-S22 WeakPolarHBondContact OG-CB 3.35Å; S2-S22 PolarHBondContact OG-OG 3.2Å; V3-S22 WeakPolarHBondContact O-CB 3.36Å; V3-S22 PolarHBondContact O-N 3.22Å; V3-S22 PolarHBondContact O-OG 3.08Å; V3-S22 VanDerWaalsContact O-OG 3.04Å; Y4-S22 WeakPolarHBondContact CD1-OG 3.04Å; Y4-S22 PolarHBondContact O-N 3.48Å
23D74.6Confident89Confident95 Ų9558.3 Ų58.351%0.50830%0.295SS..  trans-91.1104.5174.9-76.4-20.1000110.7N25 R102D23-N25 PolarHBondContact O-N 3.47Å; D23-R102 VanDerWaalsContact CG-NH2 3.27Å; D23-R102 IonicContact OD1-CZ 3.37Å; D23-R102 IonicContact OD1-NH1 3.07Å; D23-R102 PolarHBondContact OD1-NH1 3.14Å; D23-R102 IonicContact OD1-NH2 2.76Å; D23-R102 IonicContact OD2-CZ 3.65Å; D23-R102 IonicContact OD2-NH1 3.46Å; D23-R102 PolarHBondContact OD2-NH1 3.42Å; D23-R102 IonicContact OD2-NH2 3.6Å; D23-R102 PolarHBondContact OD2-NH2 2.96Å
24V70.8Confident88.8Confident70 Ų7062.3 Ų62.342%0.42431%0.311SS..  trans-85.489.4168.1-1730000108.8Y4 V26Y4-V24 HydrophobicContact CD1-CG2 3.54Å; Y4-V24 HydrophobicContact CE1-CG2 3.21Å; V24-V26 HydrophobicContact CG1-CG2 4.18Å; V24-V26 PolarHBondContact O-N 3.48Å
25N71.8Confident88.4Confident73 Ų7364.7 Ų64.739%0.3933%0.325SS..  trans-90.299.7172.4-62.5-31.6000109.1D23 E27 R102D23-N25 PolarHBondContact O-N 3.47Å; N25-E27 HydrophobicContact CB-CG 4.16Å; N25-R102 PolarHBondContact ND2-NH2 3.44Å; N25-R102 PolarHBondContact OD1-NE 2.79Å; N25-R102 PolarHBondContact OD1-NH2 3.34Å
26V79.6Confident87.9Confident68 Ų6865.2 Ų65.241%0.41233%0.328SS..  trans-86.1110.1163.2-1750000106.6V24 Y61 G99 R100V24-V26 HydrophobicContact CG1-CG2 4.18Å; V24-V26 PolarHBondContact O-N 3.48Å; V26-Y61 WeakPolarHBondContact CG1-OH 3.41Å; V26-G99 WeakPolarHBondContact O-CA 3.38Å; V26-R100 PolarHBondContact O-N 2.84Å
27E87.8Confident87.5Confident85 Ų8568.6 Ų68.640%0.39735%0.35SS..EExtended strand (participates in β ladder)trans-123.1135.6179.5-59.1-180163.400108.4N25 I64 K97 L98N25-E27 HydrophobicContact CB-CG 4.16Å; E27-I64 HydrophobicContact CG-CD1 3.76Å; E27-K97 WeakPolarHBondContact OE2-CE 3.32Å; E27-K97 IonicContact OE2-NZ 3.8Å; E27-K97 PolarHBondContact OE2-NZ 3.14Å; E27-L98 CarbonylContact C-O 3.35Å; E27-L98 WeakPolarHBondContact CA-O 3.44Å
28V89.9Confident87Confident22 Ų2269 Ų6913%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-124.1116178.5179.80000106.7D56 V57 Y61 L98V28-D56 HydrophobicContact CG1-CB 4.2Å; V28-D56 HydrophobicContact CG2-CB 3.77Å; V28-V57 HydrophobicContact CG1-CG2 4.11Å; V28-Y61 HydrophobicContact CG2-CE2 4.36Å; V28-L98 PolarHBondContact N-O 3.07Å; V28-L98 PolarHBondContact O-N 3.07Å
29E91.3Very high86.7Confident115 Ų11570.2 Ų70.254%0.53736%0.361SS..EExtended strand (participates in β ladder)trans-108.9121175.2-172168.7-175.600108.8T95 K97E29-T95 HydrophobicContact CG-CG2 3.75Å; E29-T95 WeakPolarHBondContact OE1-CG2 3.31Å; E29-K97 HydrophobicContact CB-CB 4.38Å; E29-K97 HydrophobicContact CB-CG 4.18Å; E29-K97 HydrophobicContact CG-CB 4.24Å; E29-K97 HydrophobicContact CG-CG 4.49Å
30K90.3Very high86.5Confident88 Ų8868.8 Ų68.838%0.38336%0.356SS..EExtended strand (participates in β ladder)trans-144.9146.9-179-168.3174.3-177.1177.70109.8Y32 D55 I96K30-Y32 HydrophobicContact CB-CE1 4.44Å; K30-Y32 HydrophobicContact CB-CE2 3.76Å; K30-Y32 HydrophobicContact CD-CE1 4.06Å; K30-Y32 HydrophobicContact CG-CE1 4.32Å; K30-Y32 HydrophobicContact CG-CE2 4.4Å; K30-Y32 WeakPolarHBondContact O-CD2 3.29Å; K30-Y32 WeakPolarHBondContact O-CE2 3.25Å; K30-D55 IonicContact NZ-OD2 2.84Å; K30-D55 PolarHBondContact NZ-OD2 3.33Å; K30-I96 PolarHBondContact N-O 3.01Å; K30-I96 VanDerWaalsContact N-O 3.14Å; K30-I96 PolarHBondContact O-N 3.38Å
31K91.9Very high86.5Confident129 Ų12971 Ų7156%0.56136%0.363SS*.EExtended strand (participates in β ladder)trans-85.3133.3173.1-171.4173.5178.5175.40109.4P93 L94K31-P93 HydrophobicContact CD-CB 4.45Å; K31-P93 HydrophobicContact CG-CB 4.3Å; K31-L94 CarbonylContact C-O 3.54Å; K31-L94 WeakPolarHBondContact CA-O 3.42Å
32Y91.4Very high86.4Confident16 Ų1671.5 Ų71.56%0.06337%0.373CS..EExtended strand (participates in β ladder)trans-124.5143.6-178.2-61.9-82.1000111.1K30 L36 P37 F38 F92 P93 L94 I96K30-Y32 HydrophobicContact CB-CE1 4.44Å; K30-Y32 HydrophobicContact CB-CE2 3.76Å; K30-Y32 HydrophobicContact CD-CE1 4.06Å; K30-Y32 HydrophobicContact CG-CE1 4.32Å; K30-Y32 HydrophobicContact CG-CE2 4.4Å; K30-Y32 WeakPolarHBondContact O-CD2 3.29Å; K30-Y32 WeakPolarHBondContact O-CE2 3.25Å; Y32-L36 VanDerWaalsContact CB-CD2 3.49Å; Y32-L36 HydrophobicContact CD2-CD2 4.43Å; Y32-L36 HydrophobicContact CG-CD2 3.94Å; Y32-P37 HydrophobicContact CD1-CG 4.18Å; Y32-P37 HydrophobicContact CE1-CG 4.25Å; Y32-F38 HydrophobicContact CD1-CE2 4.23Å; Y32-F38 AromaticContact CE1-CE2 3.46Å; Y32-F38 HydrophobicContact CE1-CE2 3.46Å; Y32-F38 VanDerWaalsContact CE1-CE2 3.46Å; Y32-F38 AromaticContact CE1-CZ 3.96Å; Y32-F38 HydrophobicContact CE1-CZ 3.96Å; Y32-F38 HydrophobicContact CE2-CE2 4.32Å; Y32-F38 AromaticContact CZ-CE2 3.51Å; Y32-F38 WeakPolarHBondContact OH-CE2 3.33Å; Y32-F92 WeakPolarHBondContact O-CD1 3.19Å; Y32-P93 WeakPolarHBondContact O-CA 3.44Å; Y32-L94 PolarHBondContact N-O 2.93Å; Y32-L94 PolarHBondContact O-N 3.1Å; Y32-I96 HydrophobicContact CD2-CB 3.96Å; Y32-I96 HydrophobicContact CD2-CD1 3.92Å; Y32-I96 HydrophobicContact CD2-CG1 4.04Å; Y32-I96 HydrophobicContact CE2-CB 4.01Å
33D90.8Very high86.5Confident118 Ų11873 Ų7363%0.63138%0.381SS*.PPolyproline II helixtrans-97.4166.2171.3-60.8-49000110.4P35 F92 P93D33-P35 CarbonylContact O-C 3.44Å; D33-F92 VanDerWaalsContact C-CD1 3.42Å; D33-P93 WeakPolarHBondContact OD1-CB 3.4Å
34F88.3Confident86.9Confident89 Ų8973.7 Ų73.739%0.3939%0.385SS..SBendtrans-83.5137176.7-175.2-91.3000111.5K89 F92F34-K89 HydrophobicContact CB-CG 4.2Å; F34-K89 HydrophobicContact CD1-CB 4.26Å; F34-K89 HydrophobicContact CD1-CD 3.95Å; F34-K89 HydrophobicContact CD1-CG 3.77Å; F34-K89 HydrophobicContact CD2-CB 4.21Å; F34-K89 HydrophobicContact CD2-CG 4.37Å; F34-K89 HydrophobicContact CE1-CB 4.34Å; F34-K89 HydrophobicContact CE1-CD 4.17Å; F34-K89 HydrophobicContact CE1-CG 4.22Å; F34-K89 HydrophobicContact CE2-CB 4.29Å; F34-K89 HydrophobicContact CG-CB 4.19Å; F34-K89 HydrophobicContact CG-CG 3.85Å; F34-K89 HydrophobicContact CZ-CB 4.34Å; F34-F92 HydrophobicContact CB-CB 4.02Å; F34-F92 HydrophobicContact CB-CD1 3.98Å; F34-F92 HydrophobicContact CB-CD2 3.81Å; F34-F92 HydrophobicContact CB-CE1 4.38Å; F34-F92 HydrophobicContact CB-CE2 4.26Å; F34-F92 HydrophobicContact CB-CG 3.65Å; F34-F92 AromaticContact CD2-CD2 3.82Å; F34-F92 HydrophobicContact CD2-CD2 3.82Å; F34-F92 AromaticContact CD2-CE2 3.57Å; F34-F92 HydrophobicContact CD2-CE2 3.57Å; F34-F92 HydrophobicContact CD2-CG 4.48Å; F34-F92 HydrophobicContact CD2-CZ 4.02Å; F34-F92 HydrophobicContact CE2-CE2 4.46Å; F34-F92 HydrophobicContact CG-CD2 4.26Å; F34-F92 HydrophobicContact CG-CE2 4.4Å
35P86.8Confident87.6Confident98 Ų9872.4 Ų72.464%0.63639%0.386SS*.SBendcis-81.4154.1-4.133.6-34.8000112.4D33D33-P35 CarbonylContact O-C 3.44Å
36L86.8Confident88.5Confident27 Ų2771.9 Ų71.914%0.14138%0.379CS..PPolyproline II helixtrans-60.5137.7173.4-69.9168.9000110.4Y32 F38 F40 F86 F92 I96Y32-L36 VanDerWaalsContact CB-CD2 3.49Å; Y32-L36 HydrophobicContact CD2-CD2 4.43Å; Y32-L36 HydrophobicContact CG-CD2 3.94Å; L36-F38 PolarHBondContact O-N 2.66Å; L36-F40 HydrophobicContact CD1-CD2 4.29Å; L36-F40 HydrophobicContact CD1-CE2 3.78Å; L36-F86 HydrophobicContact CD1-CB 3.66Å; L36-F86 HydrophobicContact CD1-CD1 3.86Å; L36-F86 HydrophobicContact CD1-CD2 3.82Å; L36-F86 HydrophobicContact CD1-CE1 4.45Å; L36-F86 HydrophobicContact CD1-CE2 4.41Å; L36-F86 HydrophobicContact CD1-CG 3.51Å; L36-F92 HydrophobicContact CD1-CE1 4.31Å; L36-F92 HydrophobicContact CD1-CZ 3.93Å; L36-F92 HydrophobicContact CD2-CE1 3.67Å; L36-F92 HydrophobicContact CD2-CZ 4.15Å; L36-F92 HydrophobicContact CG-CE1 3.7Å; L36-F92 HydrophobicContact CG-CZ 3.68Å; L36-I96 HydrophobicContact CD1-CD1 4.09Å; L36-I96 HydrophobicContact CD2-CD1 3.62Å
37P86.2Confident89.1Confident74 Ų7468.6 Ų68.648%0.48136%0.359SS..SBendtrans-71.9-10.7177.530.4-35.3000112.8Y32Y32-P37 HydrophobicContact CD1-CG 4.18Å; Y32-P37 HydrophobicContact CE1-CG 4.25Å
38F86.8Confident89.3Confident17 Ų1765.5 Ų65.58%0.07535%0.346CS..SBendtrans-105.5144.9-174.9-48.7-62.3000111.8Y32 L36 F40 V49 F51 G52 C54 V57 L98Y32-F38 HydrophobicContact CD1-CE2 4.23Å; Y32-F38 AromaticContact CE1-CE2 3.46Å; Y32-F38 HydrophobicContact CE1-CE2 3.46Å; Y32-F38 VanDerWaalsContact CE1-CE2 3.46Å; Y32-F38 AromaticContact CE1-CZ 3.96Å; Y32-F38 HydrophobicContact CE1-CZ 3.96Å; Y32-F38 HydrophobicContact CE2-CE2 4.32Å; Y32-F38 AromaticContact CZ-CE2 3.51Å; Y32-F38 WeakPolarHBondContact OH-CE2 3.33Å; L36-F38 PolarHBondContact O-N 2.66Å; F38-F40 HydrophobicContact CB-CD2 4.31Å; F38-F40 HydrophobicContact CB-CE2 3.76Å; F38-F40 HydrophobicContact CB-CZ 3.97Å; F38-F40 HydrophobicContact CD2-CE2 4.26Å; F38-F40 HydrophobicContact CD2-CZ 4Å; F38-F40 HydrophobicContact CG-CE2 4.5Å; F38-F40 HydrophobicContact CG-CZ 4.37Å; F38-V49 HydrophobicContact CB-CG1 4.27Å; F38-V49 HydrophobicContact CD1-CG1 4.18Å; F38-V49 HydrophobicContact CG-CG1 4.41Å; F38-F51 WeakPolarHBondContact CA-O 3.31Å; F38-G52 WeakPolarHBondContact CD1-O 3.47Å; F38-G52 WeakPolarHBondContact CE1-O 3.48Å; F38-C54 HydrophobicContact CE1-CB 4.12Å; F38-V57 HydrophobicContact CD1-CG1 4.36Å; F38-V57 HydrophobicContact CE1-CB 3.92Å; F38-V57 HydrophobicContact CE1-CG1 3.86Å; F38-V57 HydrophobicContact CE1-CG2 4.46Å; F38-V57 HydrophobicContact CE2-CG1 4.37Å; F38-V57 HydrophobicContact CE2-CG2 4.38Å; F38-V57 HydrophobicContact CZ-CB 3.77Å; F38-V57 HydrophobicContact CZ-CG1 3.86Å; F38-V57 HydrophobicContact CZ-CG2 3.8Å; F38-L98 HydrophobicContact CD2-CD1 4.48Å; F38-L98 HydrophobicContact CE2-CD1 4.19Å
39H89.8Confident89.4Confident115 Ų11564.5 Ų64.553%0.53234%0.34SS..EExtended strand (participates in β ladder)trans-93.3120.6163.4-166.4-84.3000109.3D50 F51H39-D50 PolarHBondContact O-N 3.3Å; H39-F51 HydrophobicContact CB-CB 3.84Å; H39-F51 PolarHBondContact N-O 3.27Å; H39-F51 PolarHBondContact O-N 2.79Å
40F91.5Very high89.3Confident19 Ų1962.4 Ų62.48%0.08333%0.332CS..EExtended strand (participates in β ladder)trans-96.5144.5177.2-69.5-80.4000111.1L36 F38 I47 V48 V49 V63 L83 F86 L98L36-F40 HydrophobicContact CD1-CD2 4.29Å; L36-F40 HydrophobicContact CD1-CE2 3.78Å; F38-F40 HydrophobicContact CB-CD2 4.31Å; F38-F40 HydrophobicContact CB-CE2 3.76Å; F38-F40 HydrophobicContact CB-CZ 3.97Å; F38-F40 HydrophobicContact CD2-CE2 4.26Å; F38-F40 HydrophobicContact CD2-CZ 4Å; F38-F40 HydrophobicContact CG-CE2 4.5Å; F38-F40 HydrophobicContact CG-CZ 4.37Å; F40-I47 HydrophobicContact CB-CG2 3.7Å; F40-I47 HydrophobicContact CD1-CG2 3.7Å; F40-I47 HydrophobicContact CG-CG2 3.99Å; F40-V48 CarbonylContact C-O 3.55Å; F40-V48 WeakPolarHBondContact CA-O 3.38Å; F40-V49 HydrophobicContact CD1-CG2 4.15Å; F40-V49 HydrophobicContact CE1-CG2 3.58Å; F40-V49 HydrophobicContact CZ-CG2 4.28Å; F40-V63 HydrophobicContact CD1-CG2 4.04Å; F40-V63 HydrophobicContact CE1-CG2 3.72Å; F40-L83 HydrophobicContact CB-CD2 3.89Å; F40-F86 HydrophobicContact CD1-CE2 4.25Å; F40-F86 AromaticContact CD2-CD2 3.62Å; F40-F86 HydrophobicContact CD2-CD2 3.62Å; F40-F86 AromaticContact CD2-CE2 3.79Å; F40-F86 HydrophobicContact CD2-CE2 3.79Å; F40-F86 HydrophobicContact CE1-CE2 4.19Å; F40-F86 AromaticContact CE2-CD2 3.89Å; F40-F86 HydrophobicContact CE2-CD2 3.89Å; F40-F86 AromaticContact CE2-CE2 3.75Å; F40-F86 HydrophobicContact CE2-CE2 3.75Å; F40-F86 HydrophobicContact CG-CD2 4.09Å; F40-F86 HydrophobicContact CG-CE2 4.04Å; F40-F86 AromaticContact CZ-CE2 3.95Å; F40-F86 HydrophobicContact CZ-CE2 3.95Å; F40-L98 HydrophobicContact CE1-CD2 3.91Å; F40-L98 HydrophobicContact CZ-CD2 4.27Å
41K91.7Very high89.3Confident106 Ų10665.4 Ų65.446%0.46135%0.345SS..EExtended strand (participates in β ladder)trans-134.5141.8175-173.9177.1177.9179.70110.4V43 V48 D50K41-V43 HydrophobicContact CB-CG2 4.43Å; K41-V43 HydrophobicContact CD-CG2 4.14Å; K41-V43 HydrophobicContact CG-CG2 4.07Å; K41-V43 PolarHBondContact O-N 2.55Å; K41-V48 PolarHBondContact N-O 3.46Å; K41-V48 WeakPolarHBondContact O-CG2 3.48Å; K41-V48 PolarHBondContact O-N 2.95Å; K41-D50 HydrophobicContact CB-CB 3.77Å
42A91.2Very high88.8Confident50 Ų5060.1 Ų60.141%0.41333%0.328SS..EExtended strand (participates in β ladder)trans-76.7115.1168.700000109.5R46 I47 T74 L83A42-R46 CarbonylContact C-O 3.58Å; A42-R46 WeakPolarHBondContact CA-O 3.4Å; A42-I47 HydrophobicContact CB-CD1 3.88Å; A42-T74 HydrophobicContact CB-CG2 4.14Å; A42-L83 HydrophobicContact CB-CD1 4.49Å
43V87.5Confident88Confident58 Ų5862.1 Ų62.135%0.35235%0.348SS..EExtended strand (participates in β ladder)trans-127.9125.3175.7-179.50000108.3K41 G45 R46 V48K41-V43 HydrophobicContact CB-CG2 4.43Å; K41-V43 HydrophobicContact CD-CG2 4.14Å; K41-V43 HydrophobicContact CG-CG2 4.07Å; K41-V43 PolarHBondContact O-N 2.55Å; V43-G45 PolarHBondContact O-N 2.84Å; V43-G45 VanDerWaalsContact O-N 3.1Å; V43-R46 PolarHBondContact N-O 3.16Å; V43-R46 PolarHBondContact O-N 2.93Å; V43-R46 VanDerWaalsContact O-O 3.12Å; V43-V48 HydrophobicContact CB-CG2 3.85Å; V43-V48 HydrophobicContact CG2-CG2 3.54Å
44D83.3Confident87.4Confident111 Ų11159.5 Ų59.559%0.59434%0.338SS*.THydrogen-bonded Turntrans49.137.3179.2-61.7-18000115.3R46 R104D44-R46 VanDerWaalsContact C-N 3.34Å; D44-R104 VanDerWaalsContact CB-NH2 3.3Å; D44-R104 PolarHBondContact O-NH1 2.91Å; D44-R104 IonicContact OD2-NH2 3.63Å; D44-R104 PolarHBondContact OD2-NH2 2.69Å
45G85.9Confident87Confident43 Ų4361 Ų6144%0.44335%0.35SS..THydrogen-bonded Turntrans76.516.9-179.600000114.4V43 G73 T74V43-G45 PolarHBondContact O-N 2.84Å; V43-G45 VanDerWaalsContact O-N 3.1Å; G45-G73 CarbonylContact O-C 3.55Å; G45-G73 WeakPolarHBondContact O-CA 3.47Å; G45-T74 PolarHBondContact O-N 2.81Å
46R88.9Confident86.9Confident61 Ų6162 Ų6223%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-125.1152.2171.3-66.4178.2177.7165.4-5.5110.4A42 V43 D44 R102 R104A42-R46 CarbonylContact C-O 3.58Å; A42-R46 WeakPolarHBondContact CA-O 3.4Å; V43-R46 PolarHBondContact N-O 3.16Å; V43-R46 PolarHBondContact O-N 2.93Å; V43-R46 VanDerWaalsContact O-O 3.12Å; D44-R46 VanDerWaalsContact C-N 3.34Å; R46-R102 PolarHBondContact NH1-O 2.83Å; R46-R102 PolarHBondContact NH2-O 2.97Å; R46-R102 VanDerWaalsContact NH2-O 3.11Å; R46-R104 VanDerWaalsContact NH2-CG 3.29Å
47I92.5Very high86.9Confident0 Ų060.9 Ų60.90%034%0.344CS..EExtended strand (participates in β ladder)trans-89.5115.8171.5-57-52.9000109.3F40 A42 T62 V63 T74 I82 L83F40-I47 HydrophobicContact CB-CG2 3.7Å; F40-I47 HydrophobicContact CD1-CG2 3.7Å; F40-I47 HydrophobicContact CG-CG2 3.99Å; A42-I47 HydrophobicContact CB-CD1 3.88Å; I47-T62 CarbonylContact O-C 3.35Å; I47-T62 VanDerWaalsContact O-CA 3.29Å; I47-T62 WeakPolarHBondContact O-CA 3.36Å; I47-T62 PolarHBondContact O-OG1 3.27Å; I47-V63 HydrophobicContact CB-CB 4.42Å; I47-V63 HydrophobicContact CB-CG2 4.05Å; I47-V63 HydrophobicContact CG2-CG2 3.83Å; I47-V63 PolarHBondContact O-N 2.94Å; I47-T74 HydrophobicContact CD1-CG2 3.94Å; I47-I82 HydrophobicContact CB-CG2 4.41Å; I47-I82 HydrophobicContact CG1-CB 4Å; I47-I82 HydrophobicContact CG1-CD1 4.04Å; I47-I82 HydrophobicContact CG1-CG2 4.06Å; I47-I82 HydrophobicContact CG2-CG2 4.28Å; I47-L83 HydrophobicContact CD1-CD1 4.01Å; I47-L83 HydrophobicContact CD1-CD2 4.19Å; I47-L83 HydrophobicContact CD1-CG 3.8Å; I47-L83 HydrophobicContact CG2-CD2 4.26Å
48V92.4Very high87Confident20 Ų2063.6 Ų63.612%0.12135%0.348CS..EExtended strand (participates in β ladder)trans-115.4150.5-179.6-59.90000111.7F40 K41 V43 D50 Y61F40-V48 CarbonylContact C-O 3.55Å; F40-V48 WeakPolarHBondContact CA-O 3.38Å; K41-V48 PolarHBondContact N-O 3.46Å; K41-V48 WeakPolarHBondContact O-CG2 3.48Å; K41-V48 PolarHBondContact O-N 2.95Å; V43-V48 HydrophobicContact CB-CG2 3.85Å; V43-V48 HydrophobicContact CG2-CG2 3.54Å; V48-D50 PolarHBondContact O-N 3.32Å; V48-Y61 CarbonylContact C-O 3.59Å; V48-Y61 VanDerWaalsContact CA-O 3.25Å; V48-Y61 WeakPolarHBondContact CA-O 3.37Å
49V92.4Very high87.1Confident1 Ų167.9 Ų67.91%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-70.5110169.3179.30000108.3F38 F40 V57 G60 Y61 L98F38-V49 HydrophobicContact CB-CG1 4.27Å; F38-V49 HydrophobicContact CD1-CG1 4.18Å; F38-V49 HydrophobicContact CG-CG1 4.41Å; F40-V49 HydrophobicContact CD1-CG2 4.15Å; F40-V49 HydrophobicContact CE1-CG2 3.58Å; F40-V49 HydrophobicContact CZ-CG2 4.28Å; V49-V57 HydrophobicContact CG1-CG1 4.49Å; V49-V57 HydrophobicContact CG2-CG1 4.03Å; V49-G60 PolarHBondContact O-N 3.39Å; V49-Y61 PolarHBondContact N-O 2.85Å; V49-L98 HydrophobicContact CG2-CD1 4.17Å; V49-L98 HydrophobicContact CG2-CD2 4.36Å
50D89.8Confident86.9Confident70 Ų7063.9 Ų63.937%0.37436%0.36SS..EExtended strand (participates in β ladder)trans-91.9-39.6-178.8-165.746.3000111.1H39 K41 V48H39-D50 PolarHBondContact O-N 3.3Å; K41-D50 HydrophobicContact CB-CB 3.77Å; V48-D50 PolarHBondContact O-N 3.32Å
51F88.9Confident86.9Confident151 Ų15164 Ų6466%0.66236%0.361SS*.EExtended strand (participates in β ladder)trans-142.4156.9179.1-170.8-97.5000112.2F38 H39F38-F51 WeakPolarHBondContact CA-O 3.31Å; H39-F51 HydrophobicContact CB-CB 3.84Å; H39-F51 PolarHBondContact N-O 3.27Å; H39-F51 PolarHBondContact O-N 2.79Å
52G81.9Confident86.9Confident19 Ų1959.6 Ų59.620%0.19634%0.343CS..  trans94.127.9172.200000115.5F38 C54F38-G52 WeakPolarHBondContact CD1-O 3.47Å; F38-G52 WeakPolarHBondContact CE1-O 3.48Å; G52-C54 PolarHBondContact O-N 3.08Å; G52-C54 VanDerWaalsContact O-N 3.16Å
53A75.1Confident87Confident58 Ų5857.5 Ų57.548%0.47933%0.325SS..  trans-49.8124.6175.600000111.4V57 I59A53-V57 WeakPolarHBondContact CA-O 3.22Å; A53-V57 WeakPolarHBondContact CB-O 3.31Å; A53-I59 HydrophobicContact CB-CG1 3.88Å
54C77.1Confident87.2Confident62 Ų6256.9 Ų56.942%0.41932%0.319SS..BIsolated β-bridgetrans-146.8142.5-176.2-164.90000108.6F38 G52 D56 V57F38-C54 HydrophobicContact CE1-CB 4.12Å; G52-C54 PolarHBondContact O-N 3.08Å; G52-C54 VanDerWaalsContact O-N 3.16Å; C54-D56 PolarHBondContact O-N 3.49Å; C54-V57 PolarHBondContact N-O 3.07Å; C54-V57 PolarHBondContact O-N 2.86Å; C54-V57 VanDerWaalsContact O-N 3.09Å
55D80.9Confident87.7Confident122 Ų12252.2 Ų52.265%0.65230%0.295SS*.THydrogen-bonded Turntrans51.8-122.7-174.7-52.8-33.7000112.2K30K30-D55 IonicContact NZ-OD2 2.84Å; K30-D55 PolarHBondContact NZ-OD2 3.33Å
56D84.9Confident88Confident117 Ų11750.2 Ų50.263%0.62627%0.274SS*.THydrogen-bonded Turntrans-85.5-7.3-178.9-61.1-48.3000113.7V28 C54V28-D56 HydrophobicContact CG1-CB 4.2Å; V28-D56 HydrophobicContact CG2-CB 3.77Å; C54-D56 PolarHBondContact O-N 3.49Å
57V86.7Confident88.2Confident4 Ų451 Ų512%0.02428%0.283CS..BIsolated β-bridgetrans-86.5115.6-177.2-178.90000110.2V28 F38 V49 A53 C54 L98V28-V57 HydrophobicContact CG1-CG2 4.11Å; F38-V57 HydrophobicContact CD1-CG1 4.36Å; F38-V57 HydrophobicContact CE1-CB 3.92Å; F38-V57 HydrophobicContact CE1-CG1 3.86Å; F38-V57 HydrophobicContact CE1-CG2 4.46Å; F38-V57 HydrophobicContact CE2-CG1 4.37Å; F38-V57 HydrophobicContact CE2-CG2 4.38Å; F38-V57 HydrophobicContact CZ-CB 3.77Å; F38-V57 HydrophobicContact CZ-CG1 3.86Å; F38-V57 HydrophobicContact CZ-CG2 3.8Å; V49-V57 HydrophobicContact CG1-CG1 4.49Å; V49-V57 HydrophobicContact CG2-CG1 4.03Å; A53-V57 WeakPolarHBondContact CA-O 3.22Å; A53-V57 WeakPolarHBondContact CB-O 3.31Å; C54-V57 PolarHBondContact N-O 3.07Å; C54-V57 PolarHBondContact O-N 2.86Å; C54-V57 VanDerWaalsContact O-N 3.09Å; V57-L98 HydrophobicContact CB-CD1 4.33Å; V57-L98 HydrophobicContact CG1-CD1 3.48Å; V57-L98 VanDerWaalsContact CG1-CD1 3.48Å; V57-L98 HydrophobicContact CG2-CD1 3.82Å
58K87.4Confident88.1Confident131 Ų13153.7 Ų53.757%0.5731%0.311SS*.  trans-97.2153.7178.7-56.9-173.7179.4-1750112.1Y61K58-Y61 HydrophobicContact CB-CD1 3.98Å; K58-Y61 HydrophobicContact CB-CE1 3.7Å; K58-Y61 HydrophobicContact CD-CE1 4.38Å; K58-Y61 HydrophobicContact CG-CE1 4.22Å; K58-Y61 WeakPolarHBondContact O-CB 2.91Å; K58-Y61 PolarHBondContact O-N 2.6Å
59I88.7Confident88.1Confident108 Ų10855 Ų5555%0.55432%0.317SS*.THydrogen-bonded Turntrans-56.5139.4169.5-59.3178000109.3A53 Y61A53-I59 HydrophobicContact CB-CG1 3.88Å; I59-Y61 VanDerWaalsContact C-N 3.33Å
60G86.9Confident88.1Confident30 Ų3058.7 Ų58.731%0.30934%0.339SS..THydrogen-bonded Turntrans84.8-1.9-178.200000114.7V49 P101V49-G60 PolarHBondContact O-N 3.39Å; G60-P101 VanDerWaalsContact O-CD 3.22Å; G60-P101 WeakPolarHBondContact O-CD 3.46Å
61Y91.5Very high88.2Confident22 Ų2256.2 Ų56.29%0.08633%0.329CS..PPolyproline II helixtrans-64.5137.3169.4-8119000109.9V26 V28 V48 V49 K58 I59 L98 G99V26-Y61 WeakPolarHBondContact CG1-OH 3.41Å; V28-Y61 HydrophobicContact CG2-CE2 4.36Å; V48-Y61 CarbonylContact C-O 3.59Å; V48-Y61 VanDerWaalsContact CA-O 3.25Å; V48-Y61 WeakPolarHBondContact CA-O 3.37Å; V49-Y61 PolarHBondContact N-O 2.85Å; K58-Y61 HydrophobicContact CB-CD1 3.98Å; K58-Y61 HydrophobicContact CB-CE1 3.7Å; K58-Y61 HydrophobicContact CD-CE1 4.38Å; K58-Y61 HydrophobicContact CG-CE1 4.22Å; K58-Y61 WeakPolarHBondContact O-CB 2.91Å; K58-Y61 PolarHBondContact O-N 2.6Å; I59-Y61 VanDerWaalsContact C-N 3.33Å; Y61-L98 HydrophobicContact CD2-CB 4.35Å; Y61-G99 CarbonylContact C-O 3.48Å; Y61-G99 WeakPolarHBondContact CA-O 3.38Å
62T91.1Very high88.2Confident14 Ų1456.1 Ų56.19%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-94.2148.8176.7-169.60000110.3I47 I64 L98 G99 P101I47-T62 CarbonylContact O-C 3.35Å; I47-T62 VanDerWaalsContact O-CA 3.29Å; I47-T62 WeakPolarHBondContact O-CA 3.36Å; I47-T62 PolarHBondContact O-OG1 3.27Å; T62-I64 HydrophobicContact CG2-CG1 4.38Å; T62-I64 PolarHBondContact O-N 2.88Å; T62-L98 WeakPolarHBondContact O-CA 3.37Å; T62-G99 PolarHBondContact N-O 3.28Å; T62-G99 PolarHBondContact O-N 3.03Å; T62-P101 HydrophobicContact CG2-CB 3.97Å
63V92.9Very high88.5Confident6 Ų656.5 Ų56.54%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-68.1123.4166.1-176.20000108.6F40 I47 V66 A71 F86 I96 L98F40-V63 HydrophobicContact CD1-CG2 4.04Å; F40-V63 HydrophobicContact CE1-CG2 3.72Å; I47-V63 HydrophobicContact CB-CB 4.42Å; I47-V63 HydrophobicContact CB-CG2 4.05Å; I47-V63 HydrophobicContact CG2-CG2 3.83Å; I47-V63 PolarHBondContact O-N 2.94Å; V63-V66 HydrophobicContact CG1-CG2 3.67Å; V63-A71 HydrophobicContact CG1-CB 4.34Å; V63-F86 HydrophobicContact CG1-CZ 4.4Å; V63-F86 HydrophobicContact CG2-CE2 4.07Å; V63-F86 HydrophobicContact CG2-CZ 4.22Å; V63-I96 HydrophobicContact CG1-CG2 4.24Å; V63-L98 HydrophobicContact CB-CD2 4.34Å; V63-L98 HydrophobicContact CG2-CD2 3.75Å
64I92.4Very high89.3Confident45 Ų4556.3 Ų56.323%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-97.1-46.6177.3-62.9175.4000109.7E27 T62 A71 K97E27-I64 HydrophobicContact CG-CD1 3.76Å; T62-I64 HydrophobicContact CG2-CG1 4.38Å; T62-I64 PolarHBondContact O-N 2.88Å; I64-A71 WeakPolarHBondContact O-CB 3.22Å; I64-A71 PolarHBondContact O-N 3.37Å; I64-K97 HydrophobicContact CB-CB 4.48Å; I64-K97 HydrophobicContact CB-CG 4.32Å; I64-K97 HydrophobicContact CG2-CD 4.41Å; I64-K97 PolarHBondContact N-O 3.16Å
65S92.6Very high90Very high12 Ų1255.1 Ų55.18%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-151.8156.8175.458.90000111.7I69 K97S65-I69 CarbonylContact C-O 3.51Å; S65-I69 WeakPolarHBondContact CA-O 3.32Å; S65-I69 WeakPolarHBondContact CB-O 3.36Å; S65-K97 PolarHBondContact N-O 3Å; S65-K97 PolarHBondContact O-N 3.12Å; S65-K97 VanDerWaalsContact OG-CB 3.23Å; S65-K97 WeakPolarHBondContact OG-CB 3.43Å
66V93.3Very high90.6Very high2 Ų249.5 Ų49.51%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-128.5122.6173.9-176.70000107.5V63 G68 I69 L76 F86 L94 T95V63-V66 HydrophobicContact CG1-CG2 3.67Å; V66-G68 PolarHBondContact O-N 2.78Å; V66-I69 PolarHBondContact N-O 3.24Å; V66-I69 WeakPolarHBondContact O-CB 3.38Å; V66-I69 PolarHBondContact O-N 3.33Å; V66-L76 HydrophobicContact CB-CD1 4.3Å; V66-L76 HydrophobicContact CB-CD2 3.94Å; V66-L76 HydrophobicContact CG2-CD2 3.96Å; V66-F86 HydrophobicContact CG1-CE1 4.02Å; V66-F86 HydrophobicContact CG2-CE1 3.73Å; V66-F86 HydrophobicContact CG2-CZ 3.76Å; V66-L94 HydrophobicContact CG1-CD2 4.09Å; V66-T95 CarbonylContact C-O 3.52Å; V66-T95 WeakPolarHBondContact CA-O 3.26Å
67D92Very high90.9Very high77 Ų7749 Ų4941%0.41228%0.281SS..THydrogen-bonded Turntrans48.740.5-173-64.9-38.8000113.8I69 L94 T95D67-I69 PolarHBondContact O-N 2.89Å; D67-L94 WeakPolarHBondContact OD2-CD2 3.16Å; D67-T95 PolarHBondContact N-O 3.46Å; D67-T95 PolarHBondContact OD1-N 2.8Å
68G90.5Very high91.1Very high57 Ų5753.1 Ų53.159%0.58830%0.303SS*.THydrogen-bonded Turntrans77.6-5.9-177.100000114.8V66V66-G68 PolarHBondContact O-N 2.78Å
69I93.3Very high91.2Very high48 Ų4853.9 Ų53.925%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-85.4119174.8-53.5169.5000109S65 V66 D67 L76 E77 D78 R80S65-I69 CarbonylContact C-O 3.51Å; S65-I69 WeakPolarHBondContact CA-O 3.32Å; S65-I69 WeakPolarHBondContact CB-O 3.36Å; V66-I69 PolarHBondContact N-O 3.24Å; V66-I69 WeakPolarHBondContact O-CB 3.38Å; V66-I69 PolarHBondContact O-N 3.33Å; D67-I69 PolarHBondContact O-N 2.89Å; I69-L76 HydrophobicContact CG2-CB 3.87Å; I69-L76 HydrophobicContact CG2-CD2 4.44Å; I69-E77 HydrophobicContact CG2-CB 4.16Å; I69-D78 HydrophobicContact CG2-CB 4.49Å; I69-R80 VanDerWaalsContact CD1-NH2 3.26Å
70T93.2Very high91.3Very high77 Ų7753.3 Ų53.347%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-63140.6179.9-53.40000111.9E77T70-E77 PolarHBondContact O-N 3.13Å
71A90.8Very high91.6Very high19 Ų1954.2 Ų54.216%0.15730%0.302CS..EExtended strand (participates in β ladder)trans-82.1122173.500000110.6V63 I64 I82V63-A71 HydrophobicContact CG1-CB 4.34Å; I64-A71 WeakPolarHBondContact O-CB 3.22Å; I64-A71 PolarHBondContact O-N 3.37Å; A71-I82 HydrophobicContact CB-CD1 3.62Å
72K88.7Confident91.6Very high148 Ų14853.2 Ų53.264%0.64330%0.298SS*.EExtended strand (participates in β ladder)trans-10178169.2-169177.1179.7176.40109.5T74 S75K72-T74 PolarHBondContact O-N 3.4Å; K72-S75 CarbonylContact C-O 3.49Å; K72-S75 WeakPolarHBondContact CA-O 3.14Å; K72-S75 PolarHBondContact N-O 3.42Å; K72-S75 PolarHBondContact O-N 3.47Å
73G88.4Confident91.6Very high27 Ų2755.4 Ų55.428%0.27831%0.309SS..THydrogen-bonded Turntrans76.6-108.3-179.400000112.7G45G45-G73 CarbonylContact O-C 3.55Å; G45-G73 WeakPolarHBondContact O-CA 3.47Å
74T91.6Very high91.5Very high54 Ų5461.4 Ų61.433%0.33134%0.335SS..THydrogen-bonded Turntrans-94.7-10.8177.957.20000113.9A42 G45 I47 K72 I82A42-T74 HydrophobicContact CB-CG2 4.14Å; G45-T74 PolarHBondContact O-N 2.81Å; I47-T74 HydrophobicContact CD1-CG2 3.94Å; K72-T74 PolarHBondContact O-N 3.4Å; T74-I82 WeakPolarHBondContact O-CG1 3.45Å; T74-I82 PolarHBondContact O-N 2.81Å; T74-I82 VanDerWaalsContact O-N 3.14Å
75S93Very high91.4Very high38 Ų3859.6 Ų59.627%0.26633%0.325SS..EExtended strand (participates in β ladder)trans-120.5157-178.4-55.70000110.5K72 R80K72-S75 CarbonylContact C-O 3.49Å; K72-S75 WeakPolarHBondContact CA-O 3.14Å; K72-S75 PolarHBondContact N-O 3.42Å; K72-S75 PolarHBondContact O-N 3.47Å; S75-R80 CarbonylContact C-O 3.57Å; S75-R80 WeakPolarHBondContact CA-O 3.28Å
76L92.1Very high91.3Very high3 Ų359.7 Ų59.72%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-76.4160.7168.5-62.8175.6000110.3V66 I69 D78 N79 R80 I82 V85V66-L76 HydrophobicContact CB-CD1 4.3Å; V66-L76 HydrophobicContact CB-CD2 3.94Å; V66-L76 HydrophobicContact CG2-CD2 3.96Å; I69-L76 HydrophobicContact CG2-CB 3.87Å; I69-L76 HydrophobicContact CG2-CD2 4.44Å; L76-D78 PolarHBondContact O-N 3.35Å; L76-N79 WeakPolarHBondContact O-CA 3.47Å; L76-N79 PolarHBondContact O-N 2.84Å; L76-R80 HydrophobicContact CD1-CB 4.44Å; L76-R80 PolarHBondContact N-O 3.31Å; L76-I82 HydrophobicContact CD2-CD1 4.18Å; L76-I82 HydrophobicContact CD2-CG1 3.82Å; L76-I82 HydrophobicContact CG-CG1 3.84Å; L76-V85 HydrophobicContact CD1-CG2 4.44Å
77E91Very high91.2Very high108 Ų10863.6 Ų63.651%0.50535%0.352SS..THydrogen-bonded Turntrans-54.9-23.9172.5-73.1-65.9151.200112.9I69 T70 N79I69-E77 HydrophobicContact CG2-CB 4.16Å; T70-E77 PolarHBondContact O-N 3.13Å; E77-N79 PolarHBondContact O-N 3.41Å
78D91.1Very high91.2Very high90 Ų9064.1 Ų64.148%0.48136%0.355SS..THydrogen-bonded Turntrans-81.113.2173.9-171.235000113.8I69 L76 R80I69-D78 HydrophobicContact CG2-CB 4.49Å; L76-D78 PolarHBondContact O-N 3.35Å; D78-R80 PolarHBondContact O-N 3.28Å; D78-R80 IonicContact OD2-CZ 3.25Å; D78-R80 IonicContact OD2-NE 2.6Å; D78-R80 PolarHBondContact OD2-NE 3.41Å; D78-R80 IonicContact OD2-NH2 2.86Å
79N90.1Very high91.1Very high147 Ų14768.1 Ų68.179%0.78636%0.356SS*.SBendtrans61.46.2-178.1-56.6-66.2000116.3L76 E77L76-N79 WeakPolarHBondContact O-CA 3.47Å; L76-N79 PolarHBondContact O-N 2.84Å; E77-N79 PolarHBondContact O-N 3.41Å
80R90.9Very high90.9Very high95 Ų9573.3 Ų73.336%0.35838%0.384SS..  trans-74.3134.3171.1-65.1-172.2-77.3150.33.1110.4I69 S75 L76 D78 I82 V85I69-R80 VanDerWaalsContact CD1-NH2 3.26Å; S75-R80 CarbonylContact C-O 3.57Å; S75-R80 WeakPolarHBondContact CA-O 3.28Å; L76-R80 HydrophobicContact CD1-CB 4.44Å; L76-R80 PolarHBondContact N-O 3.31Å; D78-R80 PolarHBondContact O-N 3.28Å; D78-R80 IonicContact OD2-CZ 3.25Å; D78-R80 IonicContact OD2-NE 2.6Å; D78-R80 PolarHBondContact OD2-NE 3.41Å; D78-R80 IonicContact OD2-NH2 2.86Å; R80-I82 PolarHBondContact O-N 2.83Å; R80-V85 HydrophobicContact CB-CG2 3.85Å
81D92.3Very high90.7Very high50 Ų5072.2 Ų72.227%0.26738%0.375SS..BIsolated β-bridgetrans-72.5124.5175-177.9-19.1000109.7L83 K84 V85D81-L83 VanDerWaalsContact C-N 3.29Å; D81-L83 PolarHBondContact O-N 3Å; D81-L83 PolarHBondContact OD1-N 3.08Å; D81-K84 HydrophobicContact CB-CB 4.09Å; D81-K84 HydrophobicContact CB-CD 3.92Å; D81-K84 HydrophobicContact CB-CG 3.88Å; D81-K84 PolarHBondContact O-N 3.2Å; D81-V85 WeakPolarHBondContact O-CG2 3.49Å; D81-V85 PolarHBondContact O-N 3.5Å
82I92.3Very high90.6Very high0 Ų072.7 Ų72.70%037%0.374CS..Hα-helixtrans-61.1-39.5-175.8-64.4167.9000110.8I47 A71 T74 L76 R80 K84 V85 F86I47-I82 HydrophobicContact CB-CG2 4.41Å; I47-I82 HydrophobicContact CG1-CB 4Å; I47-I82 HydrophobicContact CG1-CD1 4.04Å; I47-I82 HydrophobicContact CG1-CG2 4.06Å; I47-I82 HydrophobicContact CG2-CG2 4.28Å; A71-I82 HydrophobicContact CB-CD1 3.62Å; T74-I82 WeakPolarHBondContact O-CG1 3.45Å; T74-I82 PolarHBondContact O-N 2.81Å; T74-I82 VanDerWaalsContact O-N 3.14Å; L76-I82 HydrophobicContact CD2-CD1 4.18Å; L76-I82 HydrophobicContact CD2-CG1 3.82Å; L76-I82 HydrophobicContact CG-CG1 3.84Å; R80-I82 PolarHBondContact O-N 2.83Å; I82-K84 VanDerWaalsContact C-N 3.31Å; I82-K84 PolarHBondContact O-N 3.25Å; I82-V85 PolarHBondContact O-N 3.41Å; I82-F86 HydrophobicContact CG2-CD2 3.88Å; I82-F86 HydrophobicContact CG2-CE1 4.11Å; I82-F86 HydrophobicContact CG2-CE2 3.4Å; I82-F86 HydrophobicContact CG2-CG 4.43Å; I82-F86 HydrophobicContact CG2-CZ 3.52Å; I82-F86 WeakPolarHBondContact O-CB 3.33Å; I82-F86 VanDerWaalsContact O-CG 3.24Å; I82-F86 WeakPolarHBondContact O-CG 3.22Å; I82-F86 PolarHBondContact O-N 3.22Å
83L91.6Very high90.7Very high60 Ų6068.6 Ų68.631%0.31436%0.362SS..Hα-helixtrans-68.3-33.7-179.4-69.3175.4000111.7F40 A42 I47 D81 S87F40-L83 HydrophobicContact CB-CD2 3.89Å; A42-L83 HydrophobicContact CB-CD1 4.49Å; I47-L83 HydrophobicContact CD1-CD1 4.01Å; I47-L83 HydrophobicContact CD1-CD2 4.19Å; I47-L83 HydrophobicContact CD1-CG 3.8Å; I47-L83 HydrophobicContact CG2-CD2 4.26Å; D81-L83 VanDerWaalsContact C-N 3.29Å; D81-L83 PolarHBondContact O-N 3Å; D81-L83 PolarHBondContact OD1-N 3.08Å; L83-S87 PolarHBondContact O-N 2.79Å; L83-S87 VanDerWaalsContact O-N 3.15Å; L83-S87 PolarHBondContact O-OG 3.2Å
84K91Very high90.8Very high133 Ų13367.4 Ų67.458%0.57835%0.35SS*.Hα-helixtrans-70.8-45.4174.3-63.4-175.6-171.9176.30111D81 I82 F86 S87 D88D81-K84 HydrophobicContact CB-CB 4.09Å; D81-K84 HydrophobicContact CB-CD 3.92Å; D81-K84 HydrophobicContact CB-CG 3.88Å; D81-K84 PolarHBondContact O-N 3.2Å; I82-K84 VanDerWaalsContact C-N 3.31Å; I82-K84 PolarHBondContact O-N 3.25Å; K84-F86 PolarHBondContact O-N 2.93Å; K84-S87 WeakPolarHBondContact O-CA 3.37Å; K84-S87 WeakPolarHBondContact O-CB 3.48Å; K84-S87 PolarHBondContact O-N 3.41Å; K84-D88 PolarHBondContact O-N 2.96Å
85V90.3Very high90.9Very high6 Ų666.7 Ų66.74%0.03635%0.345CS..Hα-helixtrans-55.6-40.7176.5171.50000111.4L76 R80 D81 I82 S87 N91 L94L76-V85 HydrophobicContact CD1-CG2 4.44Å; R80-V85 HydrophobicContact CB-CG2 3.85Å; D81-V85 WeakPolarHBondContact O-CG2 3.49Å; D81-V85 PolarHBondContact O-N 3.5Å; I82-V85 PolarHBondContact O-N 3.41Å; V85-S87 VanDerWaalsContact C-N 3.35Å; V85-N91 WeakPolarHBondContact CA-ND2 3.43Å; V85-N91 HydrophobicContact CG1-CB 4.38Å; V85-N91 PolarHBondContact O-ND2 2.98Å; V85-L94 HydrophobicContact CG1-CD1 4.17Å; V85-L94 HydrophobicContact CG1-CD2 4.43Å
86F90.8Very high90.9Very high14 Ų1464.9 Ų64.96%0.06133%0.333CS..Hα-helixtrans-73.8-22177.1-68.9-8.8000114.3L36 F40 V63 V66 I82 K84 L94 I96L36-F86 HydrophobicContact CD1-CB 3.66Å; L36-F86 HydrophobicContact CD1-CD1 3.86Å; L36-F86 HydrophobicContact CD1-CD2 3.82Å; L36-F86 HydrophobicContact CD1-CE1 4.45Å; L36-F86 HydrophobicContact CD1-CE2 4.41Å; L36-F86 HydrophobicContact CD1-CG 3.51Å; F40-F86 HydrophobicContact CD1-CE2 4.25Å; F40-F86 AromaticContact CD2-CD2 3.62Å; F40-F86 HydrophobicContact CD2-CD2 3.62Å; F40-F86 AromaticContact CD2-CE2 3.79Å; F40-F86 HydrophobicContact CD2-CE2 3.79Å; F40-F86 HydrophobicContact CE1-CE2 4.19Å; F40-F86 AromaticContact CE2-CD2 3.89Å; F40-F86 HydrophobicContact CE2-CD2 3.89Å; F40-F86 AromaticContact CE2-CE2 3.75Å; F40-F86 HydrophobicContact CE2-CE2 3.75Å; F40-F86 HydrophobicContact CG-CD2 4.09Å; F40-F86 HydrophobicContact CG-CE2 4.04Å; F40-F86 AromaticContact CZ-CE2 3.95Å; F40-F86 HydrophobicContact CZ-CE2 3.95Å; V63-F86 HydrophobicContact CG1-CZ 4.4Å; V63-F86 HydrophobicContact CG2-CE2 4.07Å; V63-F86 HydrophobicContact CG2-CZ 4.22Å; V66-F86 HydrophobicContact CG1-CE1 4.02Å; V66-F86 HydrophobicContact CG2-CE1 3.73Å; V66-F86 HydrophobicContact CG2-CZ 3.76Å; I82-F86 HydrophobicContact CG2-CD2 3.88Å; I82-F86 HydrophobicContact CG2-CE1 4.11Å; I82-F86 HydrophobicContact CG2-CE2 3.4Å; I82-F86 HydrophobicContact CG2-CG 4.43Å; I82-F86 HydrophobicContact CG2-CZ 3.52Å; I82-F86 WeakPolarHBondContact O-CB 3.33Å; I82-F86 VanDerWaalsContact O-CG 3.24Å; I82-F86 WeakPolarHBondContact O-CG 3.22Å; I82-F86 PolarHBondContact O-N 3.22Å; K84-F86 PolarHBondContact O-N 2.93Å; F86-L94 HydrophobicContact CD1-CD1 3.87Å; F86-L94 HydrophobicContact CE1-CD1 4.21Å; F86-I96 HydrophobicContact CD1-CD1 4.31Å; F86-I96 HydrophobicContact CE1-CD1 3.58Å; F86-I96 HydrophobicContact CE1-CG1 4.06Å; F86-I96 HydrophobicContact CE2-CD1 4.45Å; F86-I96 HydrophobicContact CZ-CD1 3.67Å; F86-I96 HydrophobicContact CZ-CG1 4.19Å; F86-I96 HydrophobicContact CZ-CG2 4.23Å
87S90.3Very high90.9Very high85 Ų8567.1 Ų67.159%0.59434%0.342SS*.Hα-helixtrans-81.8-32.8177.2-59.90000112.2L83 K84 V85 K89L83-S87 PolarHBondContact O-N 2.79Å; L83-S87 VanDerWaalsContact O-N 3.15Å; L83-S87 PolarHBondContact O-OG 3.2Å; K84-S87 WeakPolarHBondContact O-CA 3.37Å; K84-S87 WeakPolarHBondContact O-CB 3.48Å; K84-S87 PolarHBondContact O-N 3.41Å; V85-S87 VanDerWaalsContact C-N 3.35Å; S87-K89 PolarHBondContact O-N 3.18Å
88D91.1Very high91Very high87 Ų8762 Ų6247%0.46532%0.318SS..  trans-77.9113.2-177.8-65.6-28.4000111.2K84 D90 N91 F92K84-D88 PolarHBondContact O-N 2.96Å; D88-D90 PolarHBondContact O-N 3.13Å; D88-N91 WeakPolarHBondContact CB-ND2 3.41Å; D88-N91 PolarHBondContact O-N 3.21Å; D88-F92 WeakPolarHBondContact O-CD2 3.41Å
89K88.9Confident91Very high142 Ų14257.7 Ų57.762%0.61730%0.295SS*.G310 helixtrans-60.7-30.7-179.3-176.9178.3178.1-173.60113.5F34 S87 N91 F92F34-K89 HydrophobicContact CB-CG 4.2Å; F34-K89 HydrophobicContact CD1-CB 4.26Å; F34-K89 HydrophobicContact CD1-CD 3.95Å; F34-K89 HydrophobicContact CD1-CG 3.77Å; F34-K89 HydrophobicContact CD2-CB 4.21Å; F34-K89 HydrophobicContact CD2-CG 4.37Å; F34-K89 HydrophobicContact CE1-CB 4.34Å; F34-K89 HydrophobicContact CE1-CD 4.17Å; F34-K89 HydrophobicContact CE1-CG 4.22Å; F34-K89 HydrophobicContact CE2-CB 4.29Å; F34-K89 HydrophobicContact CG-CB 4.19Å; F34-K89 HydrophobicContact CG-CG 3.85Å; F34-K89 HydrophobicContact CZ-CB 4.34Å; S87-K89 PolarHBondContact O-N 3.18Å; K89-N91 PolarHBondContact O-N 2.69Å; K89-F92 PolarHBondContact O-N 3.06Å
90D89.2Confident90.9Very high157 Ų15758 Ų5884%0.8429%0.286SS*.G310 helixtrans-69.7-17-176.7-62-34.6000113.4D88 F92D88-D90 PolarHBondContact O-N 3.13Å; D90-F92 VanDerWaalsContact C-N 3.26Å; D90-F92 PolarHBondContact O-N 3.17Å
91N88.3Confident90.5Very high53 Ų5355.5 Ų55.528%0.28328%0.281SS..G310 helixtrans-77.8-11.8176.9-67.8-32.2000112.8V85 D88 K89 L94V85-N91 WeakPolarHBondContact CA-ND2 3.43Å; V85-N91 HydrophobicContact CG1-CB 4.38Å; V85-N91 PolarHBondContact O-ND2 2.98Å; D88-N91 WeakPolarHBondContact CB-ND2 3.41Å; D88-N91 PolarHBondContact O-N 3.21Å; K89-N91 PolarHBondContact O-N 2.69Å; N91-L94 HydrophobicContact CB-CD1 4.42Å; N91-L94 HydrophobicContact CB-CD2 4.14Å; N91-L94 WeakPolarHBondContact O-CD2 3.47Å; N91-L94 WeakPolarHBondContact O-CG 3.27Å
92F89.7Confident90Very high30 Ų3058.3 Ų58.313%0.13229%0.288CS..  trans-86.5145.2-176.1-71.8-99.2000112Y32 D33 F34 L36 D88 K89 D90 L94Y32-F92 WeakPolarHBondContact O-CD1 3.19Å; D33-F92 VanDerWaalsContact C-CD1 3.42Å; F34-F92 HydrophobicContact CB-CB 4.02Å; F34-F92 HydrophobicContact CB-CD1 3.98Å; F34-F92 HydrophobicContact CB-CD2 3.81Å; F34-F92 HydrophobicContact CB-CE1 4.38Å; F34-F92 HydrophobicContact CB-CE2 4.26Å; F34-F92 HydrophobicContact CB-CG 3.65Å; F34-F92 AromaticContact CD2-CD2 3.82Å; F34-F92 HydrophobicContact CD2-CD2 3.82Å; F34-F92 AromaticContact CD2-CE2 3.57Å; F34-F92 HydrophobicContact CD2-CE2 3.57Å; F34-F92 HydrophobicContact CD2-CG 4.48Å; F34-F92 HydrophobicContact CD2-CZ 4.02Å; F34-F92 HydrophobicContact CE2-CE2 4.46Å; F34-F92 HydrophobicContact CG-CD2 4.26Å; F34-F92 HydrophobicContact CG-CE2 4.4Å; L36-F92 HydrophobicContact CD1-CE1 4.31Å; L36-F92 HydrophobicContact CD1-CZ 3.93Å; L36-F92 HydrophobicContact CD2-CE1 3.67Å; L36-F92 HydrophobicContact CD2-CZ 4.15Å; L36-F92 HydrophobicContact CG-CE1 3.7Å; L36-F92 HydrophobicContact CG-CZ 3.68Å; D88-F92 WeakPolarHBondContact O-CD2 3.41Å; K89-F92 PolarHBondContact O-N 3.06Å; D90-F92 VanDerWaalsContact C-N 3.26Å; D90-F92 PolarHBondContact O-N 3.17Å; F92-L94 HydrophobicContact CD1-CB 4.44Å; F92-L94 HydrophobicContact CD1-CD1 4.22Å; F92-L94 HydrophobicContact CD1-CG 4.19Å; F92-L94 HydrophobicContact CD2-CD1 4.27Å; F92-L94 HydrophobicContact CE1-CB 4.49Å; F92-L94 HydrophobicContact CE1-CD1 3.88Å; F92-L94 HydrophobicContact CE1-CG 4.29Å; F92-L94 HydrophobicContact CE2-CD1 3.89Å; F92-L94 HydrophobicContact CG-CD1 4.42Å; F92-L94 HydrophobicContact CG-CG 4.35Å; F92-L94 HydrophobicContact CZ-CD1 3.7Å
93P90.3Very high89.7Confident61 Ų6161.1 Ų61.140%0.39630%0.303SS..SBendcis-87.1140.61034.4-36.8000114.4K31 Y32 D33K31-P93 HydrophobicContact CD-CB 4.45Å; K31-P93 HydrophobicContact CG-CB 4.3Å; Y32-P93 WeakPolarHBondContact O-CA 3.44Å; D33-P93 WeakPolarHBondContact OD1-CB 3.4Å
94L91.6Very high89.6Confident3 Ų361.6 Ų61.62%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-109.4138.2-176-67171.7000111.5K31 Y32 V66 D67 V85 F86 N91 F92 I96K31-L94 CarbonylContact C-O 3.54Å; K31-L94 WeakPolarHBondContact CA-O 3.42Å; Y32-L94 PolarHBondContact N-O 2.93Å; Y32-L94 PolarHBondContact O-N 3.1Å; V66-L94 HydrophobicContact CG1-CD2 4.09Å; D67-L94 WeakPolarHBondContact OD2-CD2 3.16Å; V85-L94 HydrophobicContact CG1-CD1 4.17Å; V85-L94 HydrophobicContact CG1-CD2 4.43Å; F86-L94 HydrophobicContact CD1-CD1 3.87Å; F86-L94 HydrophobicContact CE1-CD1 4.21Å; N91-L94 HydrophobicContact CB-CD1 4.42Å; N91-L94 HydrophobicContact CB-CD2 4.14Å; N91-L94 WeakPolarHBondContact O-CD2 3.47Å; N91-L94 WeakPolarHBondContact O-CG 3.27Å; F92-L94 HydrophobicContact CD1-CB 4.44Å; F92-L94 HydrophobicContact CD1-CD1 4.22Å; F92-L94 HydrophobicContact CD1-CG 4.19Å; F92-L94 HydrophobicContact CD2-CD1 4.27Å; F92-L94 HydrophobicContact CE1-CB 4.49Å; F92-L94 HydrophobicContact CE1-CD1 3.88Å; F92-L94 HydrophobicContact CE1-CG 4.29Å; F92-L94 HydrophobicContact CE2-CD1 3.89Å; F92-L94 HydrophobicContact CG-CD1 4.42Å; F92-L94 HydrophobicContact CG-CG 4.35Å; F92-L94 HydrophobicContact CZ-CD1 3.7Å; L94-I96 HydrophobicContact CB-CG1 4.22Å
95T92.8Very high89.5Confident39 Ų3958.6 Ų58.624%0.23929%0.294CS..EExtended strand (participates in β ladder)trans-93.2111.8169-52.10000109E29 V66 D67E29-T95 HydrophobicContact CG-CG2 3.75Å; E29-T95 WeakPolarHBondContact OE1-CG2 3.31Å; V66-T95 CarbonylContact C-O 3.52Å; V66-T95 WeakPolarHBondContact CA-O 3.26Å; D67-T95 PolarHBondContact N-O 3.46Å; D67-T95 PolarHBondContact OD1-N 2.8Å
96I93.2Very high89.6Confident0 Ų063.8 Ų63.80%032%0.322CS..EExtended strand (participates in β ladder)trans-111125-177.2-53.4172.8000108.6K30 Y32 L36 V63 F86 L94 L98K30-I96 PolarHBondContact N-O 3.01Å; K30-I96 VanDerWaalsContact N-O 3.14Å; K30-I96 PolarHBondContact O-N 3.38Å; Y32-I96 HydrophobicContact CD2-CB 3.96Å; Y32-I96 HydrophobicContact CD2-CD1 3.92Å; Y32-I96 HydrophobicContact CD2-CG1 4.04Å; Y32-I96 HydrophobicContact CE2-CB 4.01Å; L36-I96 HydrophobicContact CD1-CD1 4.09Å; L36-I96 HydrophobicContact CD2-CD1 3.62Å; V63-I96 HydrophobicContact CG1-CG2 4.24Å; F86-I96 HydrophobicContact CD1-CD1 4.31Å; F86-I96 HydrophobicContact CE1-CD1 3.58Å; F86-I96 HydrophobicContact CE1-CG1 4.06Å; F86-I96 HydrophobicContact CE2-CD1 4.45Å; F86-I96 HydrophobicContact CZ-CD1 3.67Å; F86-I96 HydrophobicContact CZ-CG1 4.19Å; F86-I96 HydrophobicContact CZ-CG2 4.23Å; L94-I96 HydrophobicContact CB-CG1 4.22Å; I96-L98 HydrophobicContact CG2-CD2 3.67Å; I96-L98 HydrophobicContact CG2-CG 3.9Å
97K93.2Very high89.6Confident50 Ų5064.8 Ų64.822%0.21733%0.328CS..EExtended strand (participates in β ladder)trans-97113.2170.7-168.2172.7-178.6-177.70109.3E27 E29 I64 S65E27-K97 WeakPolarHBondContact OE2-CE 3.32Å; E27-K97 IonicContact OE2-NZ 3.8Å; E27-K97 PolarHBondContact OE2-NZ 3.14Å; E29-K97 HydrophobicContact CB-CB 4.38Å; E29-K97 HydrophobicContact CB-CG 4.18Å; E29-K97 HydrophobicContact CG-CB 4.24Å; E29-K97 HydrophobicContact CG-CG 4.49Å; I64-K97 HydrophobicContact CB-CB 4.48Å; I64-K97 HydrophobicContact CB-CG 4.32Å; I64-K97 HydrophobicContact CG2-CD 4.41Å; I64-K97 PolarHBondContact N-O 3.16Å; S65-K97 PolarHBondContact N-O 3Å; S65-K97 PolarHBondContact O-N 3.12Å; S65-K97 VanDerWaalsContact OG-CB 3.23Å; S65-K97 WeakPolarHBondContact OG-CB 3.43Å
98L92.2Very high89.8Confident0 Ų061.6 Ų61.60%030%0.303CS..EExtended strand (participates in β ladder)trans-107.6148.6178.2-60.5173.8000109.2E27 V28 F38 F40 V49 V57 Y61 T62 V63 I96E27-L98 CarbonylContact C-O 3.35Å; E27-L98 WeakPolarHBondContact CA-O 3.44Å; V28-L98 PolarHBondContact N-O 3.07Å; V28-L98 PolarHBondContact O-N 3.07Å; F38-L98 HydrophobicContact CD2-CD1 4.48Å; F38-L98 HydrophobicContact CE2-CD1 4.19Å; F40-L98 HydrophobicContact CE1-CD2 3.91Å; F40-L98 HydrophobicContact CZ-CD2 4.27Å; V49-L98 HydrophobicContact CG2-CD1 4.17Å; V49-L98 HydrophobicContact CG2-CD2 4.36Å; V57-L98 HydrophobicContact CB-CD1 4.33Å; V57-L98 HydrophobicContact CG1-CD1 3.48Å; V57-L98 VanDerWaalsContact CG1-CD1 3.48Å; V57-L98 HydrophobicContact CG2-CD1 3.82Å; Y61-L98 HydrophobicContact CD2-CB 4.35Å; T62-L98 WeakPolarHBondContact O-CA 3.37Å; V63-L98 HydrophobicContact CB-CD2 4.34Å; V63-L98 HydrophobicContact CG2-CD2 3.75Å; I96-L98 HydrophobicContact CG2-CD2 3.67Å; I96-L98 HydrophobicContact CG2-CG 3.9Å
99G91Very high89.9Confident0 Ų061.2 Ų61.20%030%0.3CS..EExtended strand (participates in β ladder)trans-166.3176.8172.300000113.1V26 Y61 T62V26-G99 WeakPolarHBondContact O-CA 3.38Å; Y61-G99 CarbonylContact C-O 3.48Å; Y61-G99 WeakPolarHBondContact CA-O 3.38Å; T62-G99 PolarHBondContact N-O 3.28Å; T62-G99 PolarHBondContact O-N 3.03Å
100R86.9Confident90.2Very high154 Ų15460 Ų6058%0.58130%0.297SS*.PPolyproline II helixtrans-63.1130.7179-173.5-179.5-179.7-174.60.2110.3V26 R102V26-R100 PolarHBondContact O-N 2.84Å; R100-R102 PolarHBondContact O-N 2.91Å
101P83.1Confident90.4Very high41 Ų4156.7 Ų56.727%0.26628%0.278SS..PPolyproline II helixtrans-62.1132.2174.324.1-32.7000110.6G60 T62 L103G60-P101 VanDerWaalsContact O-CD 3.22Å; G60-P101 WeakPolarHBondContact O-CD 3.46Å; T62-P101 HydrophobicContact CG2-CB 3.97Å; P101-L103 PolarHBondContact O-N 2.79Å
102R82.4Confident90.7Very high109 Ų10954.3 Ų54.341%0.41127%0.266SS..PPolyproline II helixtrans-65.4131.8170.7-62.2-54.7-155.1119.89.2109.9D23 N25 R46 R100 R104D23-R102 VanDerWaalsContact CG-NH2 3.27Å; D23-R102 IonicContact OD1-CZ 3.37Å; D23-R102 IonicContact OD1-NH1 3.07Å; D23-R102 PolarHBondContact OD1-NH1 3.14Å; D23-R102 IonicContact OD1-NH2 2.76Å; D23-R102 IonicContact OD2-CZ 3.65Å; D23-R102 IonicContact OD2-NH1 3.46Å; D23-R102 PolarHBondContact OD2-NH1 3.42Å; D23-R102 IonicContact OD2-NH2 3.6Å; D23-R102 PolarHBondContact OD2-NH2 2.96Å; N25-R102 PolarHBondContact ND2-NH2 3.44Å; N25-R102 PolarHBondContact OD1-NE 2.79Å; N25-R102 PolarHBondContact OD1-NH2 3.34Å; R46-R102 PolarHBondContact NH1-O 2.83Å; R46-R102 PolarHBondContact NH2-O 2.97Å; R46-R102 VanDerWaalsContact NH2-O 3.11Å; R100-R102 PolarHBondContact O-N 2.91Å; R102-R104 PolarHBondContact O-N 3.18Å
103L86.8Confident91Very high59 Ų5955.4 Ų55.431%0.30928%0.277SS..PPolyproline II helixtrans-64.5116.2175.6-71.9174.1000110.1P101 D107 R108 L111P101-L103 PolarHBondContact O-N 2.79Å; L103-D107 HydrophobicContact CD2-CB 4.04Å; L103-R108 HydrophobicContact CB-CG 4.1Å; L103-R108 PolarHBondContact O-NE 3.45Å; L103-R108 VanDerWaalsContact O-NE 3.13Å; L103-R108 PolarHBondContact O-NH2 3.46Å; L103-L111 HydrophobicContact CD1-CD1 4.1Å; L103-L111 HydrophobicContact CD2-CD1 3.93Å
104R88.2Confident91.2Very high70 Ų7056.7 Ų56.726%0.26428%0.279SS..PPolyproline II helixtrans-73.5162.9174.8-59.3172-62.6-1792110.1D44 R46 R102 N106 D107 R108D44-R104 VanDerWaalsContact CB-NH2 3.3Å; D44-R104 PolarHBondContact O-NH1 2.91Å; D44-R104 IonicContact OD2-NH2 3.63Å; D44-R104 PolarHBondContact OD2-NH2 2.69Å; R46-R104 VanDerWaalsContact NH2-CG 3.29Å; R102-R104 PolarHBondContact O-N 3.18Å; R104-N106 VanDerWaalsContact C-N 3.25Å; R104-N106 PolarHBondContact O-N 3.15Å; R104-D107 VanDerWaalsContact CB-OD2 3.25Å; R104-D107 WeakPolarHBondContact CB-OD2 3.47Å; R104-D107 WeakPolarHBondContact CG-OD2 3.33Å; R104-D107 IonicContact CZ-OD1 3.21Å; R104-D107 IonicContact CZ-OD2 3.14Å; R104-D107 PolarHBondContact N-OD2 3.35Å; R104-D107 IonicContact NE-OD1 3.73Å; R104-D107 PolarHBondContact NE-OD1 2.94Å; R104-D107 IonicContact NE-OD2 3.05Å; R104-D107 PolarHBondContact NE-OD2 2.8Å; R104-D107 IonicContact NH2-OD1 3.7Å; R104-D107 PolarHBondContact NH2-OD1 3.21Å; R104-D107 IonicContact NH2-OD2 3.17Å; R104-D107 PolarHBondContact O-N 2.85Å; R104-D107 VanDerWaalsContact O-N 3.1Å; R104-R108 WeakPolarHBondContact O-CG 3.41Å; R104-R108 PolarHBondContact O-N 3.35Å; R104-R108 VanDerWaalsContact O-N 3.08Å
105P90Very high91.4Very high70 Ų7057.3 Ų57.346%0.45528%0.282SS..Hα-helixtrans-51.6-42.3174.3-2936.7000113.5R108 I109P105-R108 WeakPolarHBondContact O-CB 3.44Å; P105-R108 PolarHBondContact O-N 3.19Å; P105-I109 WeakPolarHBondContact O-CG1 3.32Å; P105-I109 PolarHBondContact O-N 3.42Å
106N91.6Very high91.5Very high116 Ų11657.5 Ų57.562%0.6228%0.28SS*.Hα-helixtrans-66-39.9178.8-67.8-12.3000112.8R104 R108 I109 H110R104-N106 VanDerWaalsContact C-N 3.25Å; R104-N106 PolarHBondContact O-N 3.15Å; N106-R108 PolarHBondContact O-N 3.37Å; N106-I109 PolarHBondContact O-N 3.18Å; N106-H110 PolarHBondContact O-N 2.82Å
107D91Very high91.6Very high35 Ų3560.9 Ų60.919%0.18730%0.302CS..Hα-helixtrans-62.2-38.9177.1-49.7-31000109.7L103 R104 H110 L111L103-D107 HydrophobicContact CD2-CB 4.04Å; R104-D107 VanDerWaalsContact CB-OD2 3.25Å; R104-D107 WeakPolarHBondContact CB-OD2 3.47Å; R104-D107 WeakPolarHBondContact CG-OD2 3.33Å; R104-D107 IonicContact CZ-OD1 3.21Å; R104-D107 IonicContact CZ-OD2 3.14Å; R104-D107 PolarHBondContact N-OD2 3.35Å; R104-D107 IonicContact NE-OD1 3.73Å; R104-D107 PolarHBondContact NE-OD1 2.94Å; R104-D107 IonicContact NE-OD2 3.05Å; R104-D107 PolarHBondContact NE-OD2 2.8Å; R104-D107 IonicContact NH2-OD1 3.7Å; R104-D107 PolarHBondContact NH2-OD1 3.21Å; R104-D107 IonicContact NH2-OD2 3.17Å; R104-D107 PolarHBondContact O-N 2.85Å; R104-D107 VanDerWaalsContact O-N 3.1Å; D107-H110 PolarHBondContact O-N 2.81Å; D107-L111 WeakPolarHBondContact O-CB 3.33Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.17Å; D107-L111 PolarHBondContact O-N 2.73Å
108R93.8Very high91.7Very high17 Ų1763.2 Ų63.26%0.06432%0.316CS..Hα-helixtrans-66.5-43.3176.3-63.4168.1-175.7-91.7-0.4112.2Y7 L15 D20 L103 R104 P105 N106 H110 L111 A112Y7-R108 HydrophobicContact CE1-CB 4.22Å; Y7-R108 HydrophobicContact CE1-CG 4.16Å; Y7-R108 PolarHBondContact OH-NH1 3.1Å; L15-R108 HydrophobicContact CD2-CB 3.78Å; D20-R108 IonicContact OD1-CZ 3.06Å; D20-R108 VanDerWaalsContact OD1-CZ 3.28Å; D20-R108 IonicContact OD1-NH1 3.88Å; D20-R108 PolarHBondContact OD1-NH1 3.23Å; D20-R108 IonicContact OD1-NH2 2.8Å; D20-R108 PolarHBondContact OD1-NH2 2.99Å; D20-R108 IonicContact OD2-CZ 3.56Å; D20-R108 IonicContact OD2-NH1 3.58Å; D20-R108 PolarHBondContact OD2-NH1 3.03Å; D20-R108 IonicContact OD2-NH2 2.65Å; D20-R108 PolarHBondContact OD2-NH2 3.33Å; L103-R108 HydrophobicContact CB-CG 4.1Å; L103-R108 PolarHBondContact O-NE 3.45Å; L103-R108 VanDerWaalsContact O-NE 3.13Å; L103-R108 PolarHBondContact O-NH2 3.46Å; R104-R108 WeakPolarHBondContact O-CG 3.41Å; R104-R108 PolarHBondContact O-N 3.35Å; R104-R108 VanDerWaalsContact O-N 3.08Å; P105-R108 WeakPolarHBondContact O-CB 3.44Å; P105-R108 PolarHBondContact O-N 3.19Å; N106-R108 PolarHBondContact O-N 3.37Å; R108-H110 VanDerWaalsContact C-N 3.28Å; R108-H110 PolarHBondContact O-N 3.39Å; R108-L111 PolarHBondContact O-N 2.93Å; R108-A112 VanDerWaalsContact O-CB 3.31Å; R108-A112 WeakPolarHBondContact O-CB 3.36Å; R108-A112 PolarHBondContact O-N 3.35Å
109I94.6Very high91.7Very high79 Ų7963.3 Ų63.341%0.40532%0.317SS..Hα-helixtrans-59.5-43.8175.5-68.6165.3000109.9L15 P105 N106 S113L15-I109 HydrophobicContact CB-CG1 4.24Å; L15-I109 HydrophobicContact CD2-CG1 4.02Å; P105-I109 WeakPolarHBondContact O-CG1 3.32Å; P105-I109 PolarHBondContact O-N 3.42Å; N106-I109 PolarHBondContact O-N 3.18Å; I109-S113 VanDerWaalsContact O-CB 3.26Å; I109-S113 WeakPolarHBondContact O-CB 3.3Å; I109-S113 PolarHBondContact O-N 3.18Å; I109-S113 PolarHBondContact O-OG 2.99Å
110H94.7Very high91.7Very high117 Ų11765.1 Ų65.154%0.54233%0.33SS..Hα-helixtrans-63.3-50.4177.6-173.666.5000111.5N106 D107 R108 A112 S113 M114N106-H110 PolarHBondContact O-N 2.82Å; D107-H110 PolarHBondContact O-N 2.81Å; R108-H110 VanDerWaalsContact C-N 3.28Å; R108-H110 PolarHBondContact O-N 3.39Å; H110-A112 PolarHBondContact O-N 2.88Å; H110-S113 CarbonylContact O-C 3.6Å; H110-S113 PolarHBondContact O-N 3.19Å; H110-M114 PolarHBondContact CD2-SD 3.07Å; H110-M114 PolarHBondContact NE2-SD 2.87Å; H110-M114 WeakPolarHBondContact O-CB 3.46Å; H110-M114 VanDerWaalsContact O-CG 3.27Å; H110-M114 WeakPolarHBondContact O-CG 3.41Å; H110-M114 PolarHBondContact O-N 3.33Å
111L93.5Very high92Very high87 Ų8762.5 Ų62.546%0.45533%0.325SS..Hα-helixtrans-59.2-43.3178.7-72.2172.6000112.7L103 D107 R108 M114 F115L103-L111 HydrophobicContact CD1-CD1 4.1Å; L103-L111 HydrophobicContact CD2-CD1 3.93Å; D107-L111 WeakPolarHBondContact O-CB 3.33Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.17Å; D107-L111 PolarHBondContact O-N 2.73Å; R108-L111 PolarHBondContact O-N 2.93Å; L111-M114 PolarHBondContact O-N 3.36Å; L111-F115 PolarHBondContact O-N 3.39Å
112A94.7Very high92.4Very high4 Ų462.1 Ų62.13%0.03333%0.325CS..Hα-helixtrans-63.2-45.6175.700000111.8I9 L15 R108 H110 M114 F115 H116I9-A112 HydrophobicContact CD1-CB 3.8Å; I9-A112 HydrophobicContact CG1-CB 3.92Å; L15-A112 HydrophobicContact CB-CB 3.79Å; L15-A112 HydrophobicContact CD1-CB 3.92Å; L15-A112 HydrophobicContact CG-CB 4.31Å; R108-A112 VanDerWaalsContact O-CB 3.31Å; R108-A112 WeakPolarHBondContact O-CB 3.36Å; R108-A112 PolarHBondContact O-N 3.35Å; H110-A112 PolarHBondContact O-N 2.88Å; A112-M114 VanDerWaalsContact C-N 3.28Å; A112-M114 PolarHBondContact O-N 2.91Å; A112-F115 PolarHBondContact O-N 2.98Å; A112-H116 PolarHBondContact O-N 2.77Å
113S94.9Very high92.7Very high52 Ų5259.5 Ų59.536%0.36432%0.315SS..Hα-helixtrans-63.1-33.8176.6-58.70000112.5G13 I109 H110 P117G13-S113 VanDerWaalsContact O-CA 3.31Å; G13-S113 WeakPolarHBondContact O-CA 3.46Å; I109-S113 VanDerWaalsContact O-CB 3.26Å; I109-S113 WeakPolarHBondContact O-CB 3.3Å; I109-S113 PolarHBondContact O-N 3.18Å; I109-S113 PolarHBondContact O-OG 2.99Å; H110-S113 CarbonylContact O-C 3.6Å; H110-S113 PolarHBondContact O-N 3.19Å; S113-P117 WeakPolarHBondContact O-CD 3.34Å
114M95.9Very high92.7Very high89 Ų8963.5 Ų63.544%0.43834%0.336SS..Hα-helixtrans-73.9-35174.9-72.9178.777.700112.8H110 L111 A112 H116 P117 L118H110-M114 PolarHBondContact CD2-SD 3.07Å; H110-M114 PolarHBondContact NE2-SD 2.87Å; H110-M114 WeakPolarHBondContact O-CB 3.46Å; H110-M114 VanDerWaalsContact O-CG 3.27Å; H110-M114 WeakPolarHBondContact O-CG 3.41Å; H110-M114 PolarHBondContact O-N 3.33Å; L111-M114 PolarHBondContact O-N 3.36Å; A112-M114 VanDerWaalsContact C-N 3.28Å; A112-M114 PolarHBondContact O-N 2.91Å; M114-H116 VanDerWaalsContact C-N 3.27Å; M114-H116 PolarHBondContact O-N 2.96Å; M114-P117 VanDerWaalsContact O-CD 3.22Å; M114-P117 WeakPolarHBondContact O-CD 3.36Å; M114-P117 VanDerWaalsContact O-CG 3.31Å; M114-P117 WeakPolarHBondContact O-CG 3.38Å; M114-L118 WeakPolarHBondContact O-CG 3.25Å; M114-L118 PolarHBondContact O-N 3.45Å
115F95.9Very high92.6Very high16 Ų1666.6 Ų66.67%0.0736%0.358CS..Hα-helixtrans-63-37.5178.2-175.9-88.3000111.5I9 L111 A112 L118 H119 I152 L155 C164 K172 L174I9-F115 HydrophobicContact CD1-CB 4.27Å; I9-F115 HydrophobicContact CD1-CD1 4.19Å; I9-F115 HydrophobicContact CD1-CG 4.5Å; L111-F115 PolarHBondContact O-N 3.39Å; A112-F115 PolarHBondContact O-N 2.98Å; F115-L118 PolarHBondContact O-N 2.94Å; F115-H119 HydrophobicContact CD1-CB 4.21Å; F115-H119 HydrophobicContact CE1-CB 3.83Å; F115-H119 AromaticContact CE1-ND1 3.95Å; F115-H119 HydrophobicContact CZ-CB 4.42Å; F115-H119 VanDerWaalsContact O-CB 3.31Å; F115-H119 WeakPolarHBondContact O-CB 3.16Å; F115-H119 PolarHBondContact O-N 3.05Å; F115-I152 HydrophobicContact CE2-CD1 4.39Å; F115-I152 HydrophobicContact CE2-CG2 4.14Å; F115-I152 HydrophobicContact CZ-CB 4.09Å; F115-I152 HydrophobicContact CZ-CG2 4.03Å; F115-L155 HydrophobicContact CE2-CD1 4Å; F115-C164 HydrophobicContact CE1-CB 4.46Å; F115-C164 HydrophobicContact CZ-CB 3.93Å; F115-K172 HydrophobicContact CE1-CD 4.43Å; F115-L174 HydrophobicContact CD1-CD1 4.06Å; F115-L174 HydrophobicContact CD1-CD2 4.11Å; F115-L174 HydrophobicContact CD2-CD1 4.12Å; F115-L174 HydrophobicContact CE1-CD1 4.36Å; F115-L174 HydrophobicContact CE1-CD2 3.59Å; F115-L174 HydrophobicContact CE2-CD1 4.39Å; F115-L174 HydrophobicContact CE2-CD2 4.14Å; F115-L174 HydrophobicContact CG-CD1 3.95Å; F115-L174 HydrophobicContact CZ-CD2 3.61Å
116H93.9Very high92.4Very high43 Ų4364.9 Ų64.920%0.19935%0.347CS..Hα-helixtrans-55.4-55.6-179-179.981000114.6E11 G13 A112 M114 H119 S120 K172E11-H116 PolarHBondContact O-CE1 3.36Å; G13-H116 VanDerWaalsContact CA-CB 3.49Å; G13-H116 VanDerWaalsContact CA-CG 3.41Å; A112-H116 PolarHBondContact O-N 2.77Å; M114-H116 VanDerWaalsContact C-N 3.27Å; M114-H116 PolarHBondContact O-N 2.96Å; H116-H119 WeakPolarHBondContact O-CB 3.41Å; H116-H119 PolarHBondContact O-N 2.8Å; H116-S120 PolarHBondContact O-N 2.96Å; H116-S120 VanDerWaalsContact O-N 3.08Å; H116-S120 PolarHBondContact O-OG 2.79Å; H116-K172 PolarHBondContact ND1-NZ 3.18Å
117P95.2Very high92.1Very high70 Ų7065.4 Ų65.446%0.45536%0.357SS..Hα-helixtrans-66.7-34.1176.226-34.1000112.5S113 M114 H119 S120 M121S113-P117 WeakPolarHBondContact O-CD 3.34Å; M114-P117 VanDerWaalsContact O-CD 3.22Å; M114-P117 WeakPolarHBondContact O-CD 3.36Å; M114-P117 VanDerWaalsContact O-CG 3.31Å; M114-P117 WeakPolarHBondContact O-CG 3.38Å; P117-H119 VanDerWaalsContact C-N 3.32Å; P117-H119 PolarHBondContact O-N 3.03Å; P117-S120 PolarHBondContact O-N 2.82Å; P117-M121 VanDerWaalsContact O-CB 3.27Å; P117-M121 WeakPolarHBondContact O-CB 3.44Å; P117-M121 PolarHBondContact O-N 2.87Å
118L94.6Very high91.4Very high100 Ų10067.7 Ų67.752%0.52437%0.368SS..Hα-helixtrans-60.7-43.9174.2-74.2172.8000111.5M114 F115 M121 A122 I152M114-L118 WeakPolarHBondContact O-CG 3.25Å; M114-L118 PolarHBondContact O-N 3.45Å; F115-L118 PolarHBondContact O-N 2.94Å; L118-M121 PolarHBondContact O-N 3.37Å; L118-A122 PolarHBondContact O-N 3.28Å; L118-I152 HydrophobicContact CB-CD1 3.98Å
119H93.7Very high90.2Very high1 Ų172.1 Ų72.11%0.00540%0.399CS..Hα-helixtrans-61.5-44.7176.6-176.683.9000112.2F115 H116 P117 A122 R123 S150 I152 E166 K172F115-H119 HydrophobicContact CD1-CB 4.21Å; F115-H119 HydrophobicContact CE1-CB 3.83Å; F115-H119 AromaticContact CE1-ND1 3.95Å; F115-H119 HydrophobicContact CZ-CB 4.42Å; F115-H119 VanDerWaalsContact O-CB 3.31Å; F115-H119 WeakPolarHBondContact O-CB 3.16Å; F115-H119 PolarHBondContact O-N 3.05Å; H116-H119 WeakPolarHBondContact O-CB 3.41Å; H116-H119 PolarHBondContact O-N 2.8Å; P117-H119 VanDerWaalsContact C-N 3.32Å; P117-H119 PolarHBondContact O-N 3.03Å; H119-A122 PolarHBondContact O-N 3.1Å; H119-R123 PolarHBondContact O-N 2.97Å; H119-S150 PolarHBondContact CE1-O 3.24Å; H119-S150 PolarHBondContact NE2-O 3.09Å; H119-I152 PolarHBondContact CE1-N 3.49Å; H119-I152 VanDerWaalsContact CE1-N 3.34Å; H119-I152 PolarHBondContact CE1-O 3.24Å; H119-I152 VanDerWaalsContact CE1-O 3.3Å; H119-I152 PolarHBondContact ND1-N 3.42Å; H119-I152 PolarHBondContact ND1-O 3.1Å; H119-E166 IonicContact CD2-OE2 3.5Å; H119-E166 IonicContact CE1-OE2 3.6Å; H119-E166 IonicContact NE2-OE2 2.66Å; H119-E166 PolarHBondContact NE2-OE2 2.79Å; H119-K172 VanDerWaalsContact CD2-CE 3.41Å; H119-K172 WeakPolarHBondContact CD2-CE 3.43Å
120S91Very high88.7Confident39 Ų3971.4 Ų71.427%0.27340%0.396SS..Hα-helixtrans-66.4-39.6175.7-63.80000112.3H116 P117 A122 R123 L124H116-S120 PolarHBondContact O-N 2.96Å; H116-S120 VanDerWaalsContact O-N 3.08Å; H116-S120 PolarHBondContact O-OG 2.79Å; P117-S120 PolarHBondContact O-N 2.82Å; S120-A122 VanDerWaalsContact C-N 3.34Å; S120-A122 PolarHBondContact O-N 3.36Å; S120-R123 WeakPolarHBondContact O-CB 3.27Å; S120-R123 PolarHBondContact O-N 2.86Å; S120-R123 VanDerWaalsContact O-N 3.14Å; S120-L124 PolarHBondContact O-N 3.09Å
121M91.8Very high87.1Confident99 Ų9968.1 Ų68.149%0.48839%0.386SS..Hα-helixtrans-62.7-41176.4-170.668.169.600111.6P117 L118 R123 L124 L125P117-M121 VanDerWaalsContact O-CB 3.27Å; P117-M121 WeakPolarHBondContact O-CB 3.44Å; P117-M121 PolarHBondContact O-N 2.87Å; L118-M121 PolarHBondContact O-N 3.37Å; M121-R123 PolarHBondContact O-N 2.97Å; M121-L124 PolarHBondContact O-N 3.03Å; M121-L124 HydrophobicContact SD-CD1 4.41Å; M121-L125 HydrophobicContact CG-CD1 3.96Å; M121-L125 HydrophobicContact CG-CG 4.34Å; M121-L125 WeakPolarHBondContact O-CG 3.48Å; M121-L125 PolarHBondContact O-N 3.41Å
122A91.8Very high85.3Confident33 Ų3366.8 Ų66.827%0.27338%0.384SS..Hα-helixtrans-59.6-29.3176.300000112.6L118 H119 S120 S126 I152L118-A122 PolarHBondContact O-N 3.28Å; H119-A122 PolarHBondContact O-N 3.1Å; S120-A122 VanDerWaalsContact C-N 3.34Å; S120-A122 PolarHBondContact O-N 3.36Å; A122-S126 PolarHBondContact O-N 2.9Å; A122-I152 HydrophobicContact CB-CD1 4.33Å; A122-I152 HydrophobicContact CB-CG1 3.53Å
123R88.1Confident83.1Confident53 Ų5374.5 Ų74.520%0.242%0.417CS..Hα-helixtrans-66.8-51.4170.9-63.9177170.4165.1-8.6110.9H119 S120 M121 L125 S126 N149 G151 E166H119-R123 PolarHBondContact O-N 2.97Å; S120-R123 WeakPolarHBondContact O-CB 3.27Å; S120-R123 PolarHBondContact O-N 2.86Å; S120-R123 VanDerWaalsContact O-N 3.14Å; M121-R123 PolarHBondContact O-N 2.97Å; R123-L125 PolarHBondContact O-N 2.65Å; R123-S126 VanDerWaalsContact O-CB 3.29Å; R123-S126 WeakPolarHBondContact O-CB 3.31Å; R123-S126 PolarHBondContact O-N 3.41Å; R123-N149 VanDerWaalsContact C-ND2 3.29Å; R123-N149 VanDerWaalsContact CA-ND2 3.29Å; R123-N149 WeakPolarHBondContact CA-ND2 3.22Å; R123-N149 HydrophobicContact CG-CB 4.46Å; R123-N149 PolarHBondContact NE-O 3.32Å; R123-N149 VanDerWaalsContact NE-O 3.09Å; R123-N149 PolarHBondContact O-ND2 3.42Å; R123-G151 VanDerWaalsContact CG-CA 3.47Å; R123-E166 IonicContact CZ-OE1 2.93Å; R123-E166 IonicContact CZ-OE2 3.66Å; R123-E166 IonicContact NH1-OE1 3.63Å; R123-E166 IonicContact NH2-OE1 2.55Å; R123-E166 PolarHBondContact NH2-OE1 2.91Å; R123-E166 IonicContact NH2-OE2 3.51Å; R123-E166 PolarHBondContact NH2-OE2 2.88Å
124L86.8Confident80.5Confident143 Ų14374.8 Ų74.875%0.74942%0.42SS*.Hα-helixtrans-59.3-32.6-178.8-62.3176.2000113.2S120 M121S120-L124 PolarHBondContact O-N 3.09Å; M121-L124 PolarHBondContact O-N 3.03Å; M121-L124 HydrophobicContact SD-CD1 4.41Å
125L88.1Confident78.3Confident136 Ų13680.2 Ų80.271%0.71244%0.441SS*.THydrogen-bonded Turntrans-83.8-10.3178.6-65175.2000113.8M121 R123M121-L125 HydrophobicContact CG-CD1 3.96Å; M121-L125 HydrophobicContact CG-CG 4.34Å; M121-L125 WeakPolarHBondContact O-CG 3.48Å; M121-L125 PolarHBondContact O-N 3.41Å; R123-L125 PolarHBondContact O-N 2.65Å
126S84.6Confident75.8Confident33 Ų3385.2 Ų85.223%0.23147%0.473CS..  trans-69.3130.9179.3-173.90000110.1A122 R123 I128 N149A122-S126 PolarHBondContact O-N 2.9Å; R123-S126 VanDerWaalsContact O-CB 3.29Å; R123-S126 WeakPolarHBondContact O-CB 3.31Å; R123-S126 PolarHBondContact O-N 3.41Å; S126-I128 PolarHBondContact O-N 3.31Å; S126-I128 PolarHBondContact OG-N 2.92Å; S126-N149 WeakPolarHBondContact CB-ND2 3.34Å; S126-N149 WeakPolarHBondContact CB-OD1 3.44Å
127P84.5Confident73.7Confident127 Ų12787 Ų8783%0.82549%0.49SS*.SBendtrans-71.8-7.7177.331.2-36.1000112.9P129P127-P129 WeakPolarHBondContact O-CD 3.33Å
128I77.8Confident71.3Confident83 Ų8388.4 Ų88.443%0.42650%0.499SS..SBendtrans-82.3116.2-177.7-58.3176.2000108.7S126 V147S126-I128 PolarHBondContact O-N 3.31Å; S126-I128 PolarHBondContact OG-N 2.92Å; I128-V147 HydrophobicContact CG2-CB 4Å; I128-V147 HydrophobicContact CG2-CG1 3.47Å; I128-V147 VanDerWaalsContact CG2-CG1 3.47Å
129P67.7Low69.4Low110 Ų11088.1 Ų88.171%0.71451%0.511SS*.  trans-67.3137.2177.226.1-31.5000110.9P127 S131P127-P129 WeakPolarHBondContact O-CD 3.33Å; P129-S131 PolarHBondContact O-N 3.39Å
130D64.1Low67.4Low64 Ų6495.1 Ų95.134%0.34255%0.549SS..  trans-64.7108.2173.1-76-30.6000109.5S132 F133 N149D130-S132 PolarHBondContact O-N 2.81Å; D130-F133 HydrophobicContact CB-CD2 4.45Å; D130-N149 WeakPolarHBondContact OD1-CB 3.41Å; D130-N149 PolarHBondContact OD1-N 2.85Å
131S60.1Low65.6Low48 Ų4899.8 Ų99.834%0.33657%0.571SS.*THydrogen-bonded Turntrans-66.1-0.4178.259.10000114.4P129 R146 V147P129-S131 PolarHBondContact O-N 3.39Å; S131-R146 WeakPolarHBondContact OG-CA 3.35Å; S131-V147 PolarHBondContact OG-N 2.98Å; S131-V147 PolarHBondContact OG-O 3.25Å; S131-V147 VanDerWaalsContact OG-O 3.06Å
132S56.1Low63.8Low60 Ų60104.1 Ų104.142%0.4259%0.587SS.*THydrogen-bonded Turntrans-104-8.6-174.259.80000116.2D130D130-S132 PolarHBondContact O-N 2.81Å
133F47.5Very low61.9Low165 Ų165112 Ų11272%0.72462%0.615SS**SBendtrans-86.5-8.6178-92.2-78.2000114.4D130 F135D130-F133 HydrophobicContact CB-CD2 4.45Å; F133-F135 PolarHBondContact O-N 3Å; F133-F135 VanDerWaalsContact O-N 3.1Å
134S41.7Very low60.4Low59 Ų59113 Ų11341%0.41364%0.635SS.*  trans-78.392.816562.70000109.5V136 S137S134-V136 PolarHBondContact O-N 3.33Å; S134-V136 VanDerWaalsContact O-N 3.07Å; S134-S137 PolarHBondContact O-N 3.08Å; S134-S137 PolarHBondContact OG-OG 3.19Å
135F48.5Very low59Low202 Ų202111 Ų11189%0.88663%0.63SS**SBendtrans-56-15.4158.5-85.6-86.7000112.1F133F133-F135 PolarHBondContact O-N 3Å; F133-F135 VanDerWaalsContact O-N 3.1Å
136V44.7Very low57.3Low122 Ų122116 Ų11674%0.73964%0.639SS**  trans-111.971.9174.1-164.20000109.2S134 P138S134-V136 PolarHBondContact O-N 3.33Å; S134-V136 VanDerWaalsContact O-N 3.07Å; V136-P138 WeakPolarHBondContact O-CD 3.35Å
137S49.1Very low56.1Low81 Ų81117.2 Ų117.257%0.56665%0.645SS**  trans-77.9118.8153.9-65.60000106.7S134 A139S134-S137 PolarHBondContact O-N 3.08Å; S134-S137 PolarHBondContact OG-OG 3.19Å; S137-A139 PolarHBondContact O-N 3.46Å
138P45Very low55Low99 Ų99118.6 Ų118.664%0.64363%0.634SS**  trans-55130.7171.321.4-29.2000107.7V136 N140V136-P138 WeakPolarHBondContact O-CD 3.35Å; P138-N140 PolarHBondContact O-N 2.91Å
139A54.8Low54.8Low94 Ų94115.3 Ų115.378%0.77762%0.618SS**THydrogen-bonded Turntrans-58.34.9-166.300000116.3S137S137-A139 PolarHBondContact O-N 3.46Å
140N51.4Low55.3Low147 Ų147112 Ų11279%0.78660%0.598SS**THydrogen-bonded Turntrans-113.2-13.1-169.9-138.419.1000116.3P138 K142P138-N140 PolarHBondContact O-N 2.91Å; N140-K142 PolarHBondContact O-N 3.38Å
141D53.1Low56.5Low137 Ų137109.6 Ų109.673%0.73359%0.588SS**  trans-92.671174-90.5-31000112K143D141-K143 PolarHBondContact O-N 3.37Å; D141-K143 VanDerWaalsContact O-N 3.08Å
142K54.6Low58.1Low191 Ų191108.5 Ų108.583%0.8358%0.577SS**THydrogen-bonded Turntrans-71.910.3176.2-66.4-177.3-179.5175.40114.5N140N140-K142 PolarHBondContact O-N 3.38Å
143K52.5Low59.9Low198 Ų198109.6 Ų109.686%0.86158%0.576SS**THydrogen-bonded Turntrans-122.8-5.2-173.9-79.3-171.9179.3-179.50115.8D141 P145D141-K143 PolarHBondContact O-N 3.37Å; D141-K143 VanDerWaalsContact O-N 3.08Å; K143-P145 WeakPolarHBondContact O-CD 3.38Å
144A56.3Low62.1Low75 Ų75103.7 Ų103.762%0.6255%0.553SS**SBendtrans-71119.9173.400000109R146A144-R146 PolarHBondContact O-N 3.45Å
145P56.9Low64.7Low101 Ų101104.5 Ų104.566%0.65655%0.553SS**  trans-59.6131.4175.823.8-30.8000108.3K143 V147K143-P145 WeakPolarHBondContact O-CD 3.38Å; P145-V147 VanDerWaalsContact C-N 3.32Å; P145-V147 HydrophobicContact CG-CG2 4.38Å; P145-V147 WeakPolarHBondContact O-CG2 3.16Å; P145-V147 PolarHBondContact O-N 2.94Å
146R53Low66.9Low239 Ų239100 Ų10090%0.90254%0.535SS*.  trans-63.797.7170.1-70.4-176.9179.4-178.3-1.2107.5S131 A144 W148S131-R146 WeakPolarHBondContact OG-CA 3.35Å; A144-R146 PolarHBondContact O-N 3.45Å; R146-W148 PolarHBondContact O-N 3.33Å
147V58.2Low69.1Low59 Ų5997.7 Ų97.736%0.35852%0.521SS..  trans-85.8110.6173.5-162.40000106.9I128 S131 P145I128-V147 HydrophobicContact CG2-CB 4Å; I128-V147 HydrophobicContact CG2-CG1 3.47Å; I128-V147 VanDerWaalsContact CG2-CG1 3.47Å; S131-V147 PolarHBondContact OG-N 2.98Å; S131-V147 PolarHBondContact OG-O 3.25Å; S131-V147 VanDerWaalsContact OG-O 3.06Å; P145-V147 VanDerWaalsContact C-N 3.32Å; P145-V147 HydrophobicContact CG-CG2 4.38Å; P145-V147 WeakPolarHBondContact O-CG2 3.16Å; P145-V147 PolarHBondContact O-N 2.94Å
148W62.9Low71.1Confident156 Ų156102.8 Ų102.859%0.59154%0.536SS*.  trans-94.2125.9169.9-177.5-91.4000108.3R146 S150R146-W148 PolarHBondContact O-N 3.33Å; W148-S150 PolarHBondContact O-N 3.01Å
149N72.5Confident73.1Confident15 Ų15102.4 Ų102.48%0.0853%0.534CS..  trans-70.1104.7175.9-168.5-9.9000110.8R123 S126 D130 G151R123-N149 VanDerWaalsContact C-ND2 3.29Å; R123-N149 VanDerWaalsContact CA-ND2 3.29Å; R123-N149 WeakPolarHBondContact CA-ND2 3.22Å; R123-N149 HydrophobicContact CG-CB 4.46Å; R123-N149 PolarHBondContact NE-O 3.32Å; R123-N149 VanDerWaalsContact NE-O 3.09Å; R123-N149 PolarHBondContact O-ND2 3.42Å; S126-N149 WeakPolarHBondContact CB-ND2 3.34Å; S126-N149 WeakPolarHBondContact CB-OD1 3.44Å; D130-N149 WeakPolarHBondContact OD1-CB 3.41Å; D130-N149 PolarHBondContact OD1-N 2.85Å; N149-G151 PolarHBondContact O-N 3.24Å
150S78.4Confident74.9Confident41 Ų4199.4 Ų99.429%0.28751%0.507SS..  trans-76.2-4.8-169.4580000114.9H119 W148 Q153H119-S150 PolarHBondContact CE1-O 3.24Å; H119-S150 PolarHBondContact NE2-O 3.09Å; W148-S150 PolarHBondContact O-N 3.01Å; S150-Q153 VanDerWaalsContact OG-CG 3.3Å; S150-Q153 WeakPolarHBondContact OG-CG 3.32Å; S150-Q153 PolarHBondContact OG-NE2 3Å
151G89.8Confident77Confident13 Ų1393 Ų9313%0.13447%0.472CS..  trans63.3-151.4-170.200000112R123 N149 Q153R123-G151 VanDerWaalsContact CG-CA 3.47Å; N149-G151 PolarHBondContact O-N 3.24Å; G151-Q153 PolarHBondContact O-N 3.05Å
152I94Very high79Confident24 Ų2487.9 Ų87.912%0.12345%0.446CS..  trans-68.9119.8179.2-62.3172.2000109.1F115 L118 H119 A122 L155 C164F115-I152 HydrophobicContact CE2-CD1 4.39Å; F115-I152 HydrophobicContact CE2-CG2 4.14Å; F115-I152 HydrophobicContact CZ-CB 4.09Å; F115-I152 HydrophobicContact CZ-CG2 4.03Å; L118-I152 HydrophobicContact CB-CD1 3.98Å; H119-I152 PolarHBondContact CE1-N 3.49Å; H119-I152 VanDerWaalsContact CE1-N 3.34Å; H119-I152 PolarHBondContact CE1-O 3.24Å; H119-I152 VanDerWaalsContact CE1-O 3.3Å; H119-I152 PolarHBondContact ND1-N 3.42Å; H119-I152 PolarHBondContact ND1-O 3.1Å; A122-I152 HydrophobicContact CB-CD1 4.33Å; A122-I152 HydrophobicContact CB-CG1 3.53Å; I152-L155 HydrophobicContact CD1-CD2 4.48Å; I152-L155 HydrophobicContact CG2-CD1 4.21Å; I152-L155 HydrophobicContact CG2-CD2 3.64Å; I152-L155 HydrophobicContact CG2-CG 3.64Å; I152-C164 WeakPolarHBondContact O-CB 3.04Å; I152-C164 PolarHBondContact O-SG 3.29Å; I152-C164 VanDerWaalsContact O-SG 3.37Å
153Q93.1Very high81Confident84 Ų8478.8 Ų78.839%0.39341%0.406SS..  trans-98.9-37.4177.3-72.9-162-2.900113.1S150 G151 C164 R186S150-Q153 VanDerWaalsContact OG-CG 3.3Å; S150-Q153 WeakPolarHBondContact OG-CG 3.32Å; S150-Q153 PolarHBondContact OG-NE2 3Å; G151-Q153 PolarHBondContact O-N 3.05Å; Q153-C164 PolarHBondContact O-N 3.09Å; Q153-R186 VanDerWaalsContact CD-NH2 3.3Å
154T94.8Very high83.1Confident40 Ų4069.5 Ų69.525%0.24537%0.366CS..EExtended strand (participates in β ladder)trans-154.6135-178.3-66.10000108.6R161 V162 H163T154-R161 HydrophobicContact CG2-CG 3.45Å; T154-R161 VanDerWaalsContact CG2-CG 3.45Å; T154-V162 CarbonylContact C-O 3.51Å; T154-V162 VanDerWaalsContact CA-O 3.25Å; T154-V162 WeakPolarHBondContact CA-O 3.42Å; T154-H163 PolarHBondContact OG1-ND1 3.21Å
155L94.9Very high85Confident77 Ų7768.2 Ų68.240%0.40335%0.347SS..EExtended strand (participates in β ladder)trans-113.5127.6167.8-59.3173.4000107.6F115 I152 R161 V162F115-L155 HydrophobicContact CE2-CD1 4Å; I152-L155 HydrophobicContact CD1-CD2 4.48Å; I152-L155 HydrophobicContact CG2-CD1 4.21Å; I152-L155 HydrophobicContact CG2-CD2 3.64Å; I152-L155 HydrophobicContact CG2-CG 3.64Å; L155-R161 CarbonylContact O-C 3.56Å; L155-R161 WeakPolarHBondContact O-CA 3.13Å; L155-V162 HydrophobicContact CB-CB 4.24Å; L155-V162 PolarHBondContact N-O 3.28Å; L155-V162 PolarHBondContact O-N 2.98Å
156E94.4Very high86.8Confident108 Ų10865.4 Ų65.451%0.50533%0.325SS..EExtended strand (participates in β ladder)trans-117.3138-178.2-173157175.400110.3R161 V179E156-R161 HydrophobicContact CB-CG 4.45Å; E156-R161 VanDerWaalsContact CD-NE 3.32Å; E156-R161 VanDerWaalsContact CD-NH2 3.34Å; E156-R161 IonicContact OE1-CZ 3.88Å; E156-R161 IonicContact OE1-NE 3.34Å; E156-R161 IonicContact OE1-NH2 3.77Å; E156-R161 PolarHBondContact OE1-NH2 3.11Å; E156-R161 IonicContact OE2-CZ 3.28Å; E156-R161 IonicContact OE2-NE 3.05Å; E156-R161 PolarHBondContact OE2-NE 2.84Å; E156-R161 IonicContact OE2-NH2 2.69Å; E156-V179 HydrophobicContact CG-CG2 4.15Å; E156-V179 WeakPolarHBondContact OE1-CG2 3.43Å
157T92.3Very high88.7Confident73 Ų7354.4 Ų54.445%0.44828%0.284SS..  trans-132.5170.7174.270.70000108.2C159 C160T157-C159 PolarHBondContact O-N 3.17Å; T157-C159 PolarHBondContact OG1-N 2.87Å; T157-C160 PolarHBondContact N-O 2.9Å; T157-C160 PolarHBondContact OG1-N 3.08Å; T157-C160 PolarHBondContact OG1-O 2.98Å; T157-C160 PolarHBondContact OG1-SG 3.31Å
158E90.3Very high90.1Very high187 Ų18760.7 Ų60.787%0.87431%0.309SS*.SBendtrans-61.3-24.4178.1-62.118017400113.8V179E158-V179 WeakPolarHBondContact O-CG1 3.47Å
159C87.6Confident91.4Very high91 Ų9157 Ų5762%0.61531%0.305SS*.SBendtrans-110.8-27.2-175.7-56.70000113.3Y4 T157Y4-C159 PolarHBondContact OH-O 3.37Å; T157-C159 PolarHBondContact O-N 3.17Å; T157-C159 PolarHBondContact OG1-N 2.87Å
160C91.9Very high92.3Very high31 Ų3156.9 Ų56.921%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-147.6159.9-174.375.70000113.3Y4 T157 T177Y4-C160 HydrophobicContact CD2-CB 4.01Å; Y4-C160 HydrophobicContact CE2-CB 3.58Å; T157-C160 PolarHBondContact N-O 2.9Å; T157-C160 PolarHBondContact OG1-N 3.08Å; T157-C160 PolarHBondContact OG1-O 2.98Å; T157-C160 PolarHBondContact OG1-SG 3.31Å; C160-T177 CarbonylContact C-O 3.53Å; C160-T177 WeakPolarHBondContact CA-O 3.23Å; C160-T177 WeakPolarHBondContact CB-O 3.48Å
161R95Very high93.1Very high13 Ų1355.4 Ų55.45%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-126.9129172.5-168.9177.2-60104.3-0.6109.9T154 L155 E156 H163 T177 V179 L181T154-R161 HydrophobicContact CG2-CG 3.45Å; T154-R161 VanDerWaalsContact CG2-CG 3.45Å; L155-R161 CarbonylContact O-C 3.56Å; L155-R161 WeakPolarHBondContact O-CA 3.13Å; E156-R161 HydrophobicContact CB-CG 4.45Å; E156-R161 VanDerWaalsContact CD-NE 3.32Å; E156-R161 VanDerWaalsContact CD-NH2 3.34Å; E156-R161 IonicContact OE1-CZ 3.88Å; E156-R161 IonicContact OE1-NE 3.34Å; E156-R161 IonicContact OE1-NH2 3.77Å; E156-R161 PolarHBondContact OE1-NH2 3.11Å; E156-R161 IonicContact OE2-CZ 3.28Å; E156-R161 IonicContact OE2-NE 3.05Å; E156-R161 PolarHBondContact OE2-NE 2.84Å; E156-R161 IonicContact OE2-NH2 2.69Å; R161-H163 WeakPolarHBondContact CD-CE1 3.46Å; R161-H163 WeakPolarHBondContact CD-NE2 3.31Å; R161-T177 PolarHBondContact N-O 2.87Å; R161-T177 PolarHBondContact O-N 3.05Å; R161-T177 PolarHBondContact O-OG1 3.34Å; R161-T177 VanDerWaalsContact O-OG1 3.05Å; R161-V179 VanDerWaalsContact CZ-O 3.28Å; R161-V179 PolarHBondContact NH1-O 3.1Å; R161-V179 VanDerWaalsContact NH2-CG2 3.29Å; R161-V179 PolarHBondContact NH2-O 3.23Å; R161-L181 PolarHBondContact NH1-O 3.17Å
162V96.4Very high93.4Very high30 Ų3054.9 Ų54.918%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-105.5108.7176.5-175.30000108.2T154 L155 L174 L175 V176T154-V162 CarbonylContact C-O 3.51Å; T154-V162 VanDerWaalsContact CA-O 3.25Å; T154-V162 WeakPolarHBondContact CA-O 3.42Å; L155-V162 HydrophobicContact CB-CB 4.24Å; L155-V162 PolarHBondContact N-O 3.28Å; L155-V162 PolarHBondContact O-N 2.98Å; V162-L174 HydrophobicContact CG1-CB 4.37Å; V162-L175 CarbonylContact C-O 3.59Å; V162-L175 WeakPolarHBondContact CA-O 3.5Å; V162-V176 HydrophobicContact CG1-CG2 4.45Å; V162-V176 HydrophobicContact CG2-CG1 4.18Å; V162-V176 HydrophobicContact CG2-CG2 4.36Å
163H96.4Very high93.5Very high0 Ų053.8 Ų53.80%028%0.284CS..EExtended strand (participates in β ladder)trans-89.3142.4173.8-63.7-67000110.6T154 R161 L174 L175 S185 R186 L189T154-H163 PolarHBondContact OG1-ND1 3.21Å; R161-H163 WeakPolarHBondContact CD-CE1 3.46Å; R161-H163 WeakPolarHBondContact CD-NE2 3.31Å; H163-L174 CarbonylContact O-C 3.59Å; H163-L174 VanDerWaalsContact O-CA 3.22Å; H163-L174 WeakPolarHBondContact O-CA 3.5Å; H163-L175 HydrophobicContact CB-CB 4.36Å; H163-L175 PolarHBondContact N-O 3.41Å; H163-L175 PolarHBondContact O-N 3.04Å; H163-S185 PolarHBondContact NE2-OG 3.32Å; H163-R186 HydrophobicContact CB-CB 4.18Å; H163-R186 HydrophobicContact CB-CG 4.11Å; H163-L189 HydrophobicContact CB-CD1 3.89Å
164C96.4Very high93.7Very high3 Ų350.3 Ų50.32%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-124.2136.2178179.50000110.5F115 I152 Q153 F173 L174 R186F115-C164 HydrophobicContact CE1-CB 4.46Å; F115-C164 HydrophobicContact CZ-CB 3.93Å; I152-C164 WeakPolarHBondContact O-CB 3.04Å; I152-C164 PolarHBondContact O-SG 3.29Å; I152-C164 VanDerWaalsContact O-SG 3.37Å; Q153-C164 PolarHBondContact O-N 3.09Å; C164-F173 WeakPolarHBondContact CA-O 3.36Å; C164-L174 HydrophobicContact CB-CD2 3.65Å; C164-R186 PolarHBondContact O-NE 3.45Å
165F95.5Very high93.9Very high47 Ų4748.5 Ų48.521%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-130.8124.6169.8174.1-103.5000108.5T167 K172 F173 L189 R190 Y193F165-T167 HydrophobicContact CE1-CG2 3.87Å; F165-K172 CarbonylContact O-C 3.51Å; F165-K172 WeakPolarHBondContact O-CA 3.39Å; F165-F173 AromaticContact CD1-CD2 3.91Å; F165-F173 HydrophobicContact CD1-CD2 3.91Å; F165-F173 PolarHBondContact N-O 2.95Å; F165-F173 PolarHBondContact O-N 3.25Å; F165-L189 HydrophobicContact CB-CB 3.55Å; F165-L189 HydrophobicContact CB-CD1 3.59Å; F165-L189 HydrophobicContact CB-CG 4.14Å; F165-L189 HydrophobicContact CG-CB 4.15Å; F165-R190 HydrophobicContact CE2-CG 4.49Å; F165-Y193 HydrophobicContact CE1-CD1 4.14Å; F165-Y193 AromaticContact CE1-CG 4Å; F165-Y193 HydrophobicContact CE1-CG 4Å; F165-Y193 HydrophobicContact CZ-CD1 4.47Å
166E94.5Very high93.9Very high42 Ų4246 Ų4620%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-110.6133.3175.8-174.1-178.8178.400110.1H119 R123 V171 K172H119-E166 IonicContact CD2-OE2 3.5Å; H119-E166 IonicContact CE1-OE2 3.6Å; H119-E166 IonicContact NE2-OE2 2.66Å; H119-E166 PolarHBondContact NE2-OE2 2.79Å; R123-E166 IonicContact CZ-OE1 2.93Å; R123-E166 IonicContact CZ-OE2 3.66Å; R123-E166 IonicContact NH1-OE1 3.63Å; R123-E166 IonicContact NH2-OE1 2.55Å; R123-E166 PolarHBondContact NH2-OE1 2.91Å; R123-E166 IonicContact NH2-OE2 3.51Å; R123-E166 PolarHBondContact NH2-OE2 2.88Å; E166-V171 CarbonylContact C-O 3.56Å; E166-V171 WeakPolarHBondContact CA-O 3.36Å; E166-K172 HydrophobicContact CB-CG 4.07Å; E166-K172 HydrophobicContact CG-CG 3.86Å; E166-K172 IonicContact OE1-NZ 2.8Å
167T92.7Very high93.9Very high9 Ų940.9 Ų40.96%0.05522%0.221CC..  trans-78.4166.2175.862.60000111.2F165 T169 G170 V171 F173 Y193F165-T167 HydrophobicContact CE1-CG2 3.87Å; T167-T169 PolarHBondContact O-N 3.08Å; T167-T169 VanDerWaalsContact O-N 3.16Å; T167-T169 PolarHBondContact OG1-N 3.47Å; T167-T169 PolarHBondContact OG1-OG1 3.35Å; T167-G170 PolarHBondContact O-N 3.06Å; T167-G170 PolarHBondContact OG1-N 3.05Å; T167-V171 PolarHBondContact N-O 2.83Å; T167-V171 PolarHBondContact OG1-N 2.69Å; T167-V171 VanDerWaalsContact OG1-N 3.13Å; T167-V171 PolarHBondContact OG1-O 3.18Å; T167-F173 HydrophobicContact CG2-CD2 4.23Å; T167-F173 HydrophobicContact CG2-CE2 3.6Å; T167-Y193 HydrophobicContact CG2-CD1 4.47Å; T167-Y193 HydrophobicContact CG2-CD2 3.39Å; T167-Y193 HydrophobicContact CG2-CE1 4.43Å; T167-Y193 HydrophobicContact CG2-CE2 3.37Å; T167-Y193 HydrophobicContact CG2-CG 3.98Å
168H88Confident94Very high190 Ų19038.5 Ų38.588%0.8821%0.206SC*.THydrogen-bonded Turntrans-60-24.9171.3-170.155000113.1G170H168-G170 VanDerWaalsContact C-N 3.28Å; H168-G170 PolarHBondContact O-N 3.07Å
169T89.9Confident94.1Very high80 Ų8031.2 Ų31.249%0.49117%0.173SC..THydrogen-bonded Turntrans-84.14.3174.657.90000113.6T167 V171T167-T169 PolarHBondContact O-N 3.08Å; T167-T169 VanDerWaalsContact O-N 3.16Å; T167-T169 PolarHBondContact OG1-N 3.47Å; T167-T169 PolarHBondContact OG1-OG1 3.35Å; T169-V171 VanDerWaalsContact C-N 3.33Å; T169-V171 PolarHBondContact O-N 2.83Å
170G91.6Very high94.3Very high12 Ų1234.1 Ų34.112%0.12418%0.176CC..SBendtrans82.4-0.4175.900000115.8E11 T167 H168 K172E11-G170 WeakPolarHBondContact CA-O 3.36Å; T167-G170 PolarHBondContact O-N 3.06Å; T167-G170 PolarHBondContact OG1-N 3.05Å; H168-G170 VanDerWaalsContact C-N 3.28Å; H168-G170 PolarHBondContact O-N 3.07Å; G170-K172 PolarHBondContact O-NZ 2.84Å
171V94.8Very high94.3Very high9 Ų932.9 Ų32.96%0.05517%0.167CC..  trans-70.5133.7174.2-178.70000108.9V8 I9 E166 T167 T169 F173V8-V171 HydrophobicContact CG1-CG1 3.87Å; I9-V171 WeakPolarHBondContact O-CA 3.46Å; I9-V171 WeakPolarHBondContact O-CG1 3.29Å; E166-V171 CarbonylContact C-O 3.56Å; E166-V171 WeakPolarHBondContact CA-O 3.36Å; T167-V171 PolarHBondContact N-O 2.83Å; T167-V171 PolarHBondContact OG1-N 2.69Å; T167-V171 VanDerWaalsContact OG1-N 3.13Å; T167-V171 PolarHBondContact OG1-O 3.18Å; T169-V171 VanDerWaalsContact C-N 3.33Å; T169-V171 PolarHBondContact O-N 2.83Å; V171-F173 HydrophobicContact CB-CE2 4.31Å; V171-F173 HydrophobicContact CG1-CD2 4.46Å; V171-F173 HydrophobicContact CG1-CE2 3.77Å; V171-F173 HydrophobicContact CG1-CZ 3.84Å
172K96.2Very high94.1Very high3 Ų334.4 Ų34.41%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-113131.5-176.5-61.7163.5-168.6610110.1I9 F115 H116 H119 F165 E166 G170I9-K172 HydrophobicContact CB-CB 4.26Å; I9-K172 PolarHBondContact N-O 3.34Å; I9-K172 PolarHBondContact O-N 3.04Å; F115-K172 HydrophobicContact CE1-CD 4.43Å; H116-K172 PolarHBondContact ND1-NZ 3.18Å; H119-K172 VanDerWaalsContact CD2-CE 3.41Å; H119-K172 WeakPolarHBondContact CD2-CE 3.43Å; F165-K172 CarbonylContact O-C 3.51Å; F165-K172 WeakPolarHBondContact O-CA 3.39Å; E166-K172 HydrophobicContact CB-CG 4.07Å; E166-K172 HydrophobicContact CG-CG 3.86Å; E166-K172 IonicContact OE1-NZ 2.8Å; G170-K172 PolarHBondContact O-NZ 2.84Å
173F97.6Very high93.7Very high0 Ų038.7 Ų38.70%020%0.198CC..EExtended strand (participates in β ladder)trans-110.8122.2175.5-61.1-90.5000108.4Y7 V8 C164 F165 T167 V171 L189 V192 Y193 Y196Y7-F173 WeakPolarHBondContact O-CA 3.47Å; V8-F173 HydrophobicContact CB-CD1 4.44Å; V8-F173 HydrophobicContact CB-CE1 4.4Å; V8-F173 HydrophobicContact CG1-CD1 4.17Å; V8-F173 HydrophobicContact CG1-CE1 3.77Å; V8-F173 HydrophobicContact CG1-CZ 4.29Å; V8-F173 HydrophobicContact CG2-CD1 3.78Å; V8-F173 HydrophobicContact CG2-CE1 3.82Å; C164-F173 WeakPolarHBondContact CA-O 3.36Å; F165-F173 AromaticContact CD1-CD2 3.91Å; F165-F173 HydrophobicContact CD1-CD2 3.91Å; F165-F173 PolarHBondContact N-O 2.95Å; F165-F173 PolarHBondContact O-N 3.25Å; T167-F173 HydrophobicContact CG2-CD2 4.23Å; T167-F173 HydrophobicContact CG2-CE2 3.6Å; V171-F173 HydrophobicContact CB-CE2 4.31Å; V171-F173 HydrophobicContact CG1-CD2 4.46Å; V171-F173 HydrophobicContact CG1-CE2 3.77Å; V171-F173 HydrophobicContact CG1-CZ 3.84Å; F173-L189 HydrophobicContact CB-CD2 3.77Å; F173-V192 HydrophobicContact CD1-CB 4.47Å; F173-V192 HydrophobicContact CD1-CG1 3.39Å; F173-V192 HydrophobicContact CE1-CG1 3.86Å; F173-V192 HydrophobicContact CG-CG1 4.2Å; F173-Y193 AromaticContact CE2-CD2 3.93Å; F173-Y193 HydrophobicContact CE2-CD2 3.93Å; F173-Y193 HydrophobicContact CE2-CG 4.5Å; F173-Y193 HydrophobicContact CZ-CD2 4.12Å; F173-Y196 HydrophobicContact CE1-CD2 4.15Å; F173-Y196 AromaticContact CE1-CG 3.94Å; F173-Y196 HydrophobicContact CE1-CG 3.94Å; F173-Y196 AromaticContact CZ-CD1 3.81Å; F173-Y196 HydrophobicContact CZ-CD1 3.81Å; F173-Y196 HydrophobicContact CZ-CD2 4.19Å; F173-Y196 HydrophobicContact CZ-CE1 4.41Å; F173-Y196 AromaticContact CZ-CG 3.68Å; F173-Y196 HydrophobicContact CZ-CG 3.68Å
174L97.6Very high93.4Very high12 Ų1239.9 Ų39.96%0.06321%0.208CC..EExtended strand (participates in β ladder)trans-108.3132.1176.8-52.2-176.6000110.1L6 Y7 I9 F115 V162 H163 C164L6-L174 CarbonylContact C-O 3.54Å; L6-L174 VanDerWaalsContact CA-O 3.25Å; L6-L174 WeakPolarHBondContact CA-O 3.28Å; Y7-L174 HydrophobicContact CD2-CB 4.49Å; Y7-L174 PolarHBondContact N-O 3.05Å; Y7-L174 PolarHBondContact O-N 3.13Å; I9-L174 HydrophobicContact CD1-CD1 3.57Å; I9-L174 HydrophobicContact CD1-CG 4.09Å; F115-L174 HydrophobicContact CD1-CD1 4.06Å; F115-L174 HydrophobicContact CD1-CD2 4.11Å; F115-L174 HydrophobicContact CD2-CD1 4.12Å; F115-L174 HydrophobicContact CE1-CD1 4.36Å; F115-L174 HydrophobicContact CE1-CD2 3.59Å; F115-L174 HydrophobicContact CE2-CD1 4.39Å; F115-L174 HydrophobicContact CE2-CD2 4.14Å; F115-L174 HydrophobicContact CG-CD1 3.95Å; F115-L174 HydrophobicContact CZ-CD2 3.61Å; V162-L174 HydrophobicContact CG1-CB 4.37Å; H163-L174 CarbonylContact O-C 3.59Å; H163-L174 VanDerWaalsContact O-CA 3.22Å; H163-L174 WeakPolarHBondContact O-CA 3.5Å; C164-L174 HydrophobicContact CB-CD2 3.65Å
175L97.2Very high93.1Very high2 Ų239.8 Ų39.81%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-117.8117.7172.2-17974000108.5V3 L6 V162 H163 T177 A188 L189V3-L175 HydrophobicContact CG1-CD1 3.58Å; V3-L175 HydrophobicContact CG1-CG 4.46Å; L6-L175 HydrophobicContact CD1-CD1 4.32Å; V162-L175 CarbonylContact C-O 3.59Å; V162-L175 WeakPolarHBondContact CA-O 3.5Å; H163-L175 HydrophobicContact CB-CB 4.36Å; H163-L175 PolarHBondContact N-O 3.41Å; H163-L175 PolarHBondContact O-N 3.04Å; L175-T177 HydrophobicContact CD2-CG2 3.79Å; L175-T177 HydrophobicContact CG-CG2 3.7Å; L175-A188 HydrophobicContact CD2-CB 4.34Å; L175-L189 HydrophobicContact CB-CD1 4.41Å; L175-L189 HydrophobicContact CB-CD2 3.66Å; L175-L189 HydrophobicContact CB-CG 4.11Å
176V95.7Very high93Very high25 Ų2540.9 Ų40.915%0.15221%0.21CC..EExtended strand (participates in β ladder)trans-99.2122.6178.8-1670000108.2Y4 G5 Y7 V162Y4-V176 HydrophobicContact CD2-CG1 3.81Å; Y4-V176 HydrophobicContact CG-CG1 4.41Å; Y4-V176 PolarHBondContact N-O 3.08Å; G5-V176 PolarHBondContact N-O 3.25Å; G5-V176 PolarHBondContact O-N 3.38Å; Y7-V176 HydrophobicContact CD2-CG2 4.15Å; Y7-V176 HydrophobicContact CE2-CG2 3.85Å; V162-V176 HydrophobicContact CG1-CG2 4.45Å; V162-V176 HydrophobicContact CG2-CG1 4.18Å; V162-V176 HydrophobicContact CG2-CG2 4.36Å
177T94.9Very high93Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-132.6158.7-171.959.50000111.4V3 Y4 C160 R161 L175 L181V3-T177 HydrophobicContact CG2-CG2 4.31Å; Y4-T177 VanDerWaalsContact CE2-C 3.41Å; Y4-T177 VanDerWaalsContact CE2-O 3.32Å; Y4-T177 WeakPolarHBondContact CE2-O 3.37Å; C160-T177 CarbonylContact C-O 3.53Å; C160-T177 WeakPolarHBondContact CA-O 3.23Å; C160-T177 WeakPolarHBondContact CB-O 3.48Å; R161-T177 PolarHBondContact N-O 2.87Å; R161-T177 PolarHBondContact O-N 3.05Å; R161-T177 PolarHBondContact O-OG1 3.34Å; R161-T177 VanDerWaalsContact O-OG1 3.05Å; L175-T177 HydrophobicContact CD2-CG2 3.79Å; L175-T177 HydrophobicContact CG-CG2 3.7Å; T177-L181 HydrophobicContact CG2-CD1 4.12Å
178D93.5Very high93.1Very high23 Ų2342.1 Ų42.112%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-60.2137.1163.2-173.2-32.7000109.9S2 Y4 K180 L181S2-D178 WeakPolarHBondContact O-CB 3.39Å; S2-D178 PolarHBondContact O-N 2.8Å; Y4-D178 HydrophobicContact CE2-CB 4.38Å; D178-K180 PolarHBondContact O-N 3.06Å; D178-K180 VanDerWaalsContact O-N 3.07Å; D178-K180 WeakPolarHBondContact OD1-CB 3.49Å; D178-K180 WeakPolarHBondContact OD1-CG 3.27Å; D178-K180 PolarHBondContact OD1-N 3.05Å; D178-L181 WeakPolarHBondContact O-CB 3.5Å; D178-L181 PolarHBondContact O-N 3.14Å
179V92.4Very high93.5Very high33 Ų3333.1 Ų33.120%0.217%0.173CC..THydrogen-bonded Turntrans-55.8-26.317871.60000112.5E156 E158 R161 L181E156-V179 HydrophobicContact CG-CG2 4.15Å; E156-V179 WeakPolarHBondContact OE1-CG2 3.43Å; E158-V179 WeakPolarHBondContact O-CG1 3.47Å; R161-V179 VanDerWaalsContact CZ-O 3.28Å; R161-V179 PolarHBondContact NH1-O 3.1Å; R161-V179 VanDerWaalsContact NH2-CG2 3.29Å; R161-V179 PolarHBondContact NH2-O 3.23Å; V179-L181 VanDerWaalsContact C-N 3.27Å; V179-L181 PolarHBondContact O-N 2.56Å
180K91.4Very high93.8Very high153 Ų15335.8 Ų35.867%0.66518%0.175SC*.THydrogen-bonded Turntrans-71.8-18178.7-63.5173.8-175.7176.50113.5M1 D178M1-K180 HydrophobicContact CG-CB 3.76Å; M1-K180 HydrophobicContact CG-CD 4.44Å; M1-K180 HydrophobicContact SD-CB 3.79Å; D178-K180 PolarHBondContact O-N 3.06Å; D178-K180 VanDerWaalsContact O-N 3.07Å; D178-K180 WeakPolarHBondContact OD1-CB 3.49Å; D178-K180 WeakPolarHBondContact OD1-CG 3.27Å; D178-K180 PolarHBondContact OD1-N 3.05Å
181L91.6Very high94Very high4 Ų438.1 Ų38.12%0.02118%0.18CC..SBendtrans-70144.9175-74.2174.2000110.7M1 V3 R161 T177 D178 V179 V228M1-L181 HydrophobicContact CB-CD2 3.71Å; M1-L181 HydrophobicContact CB-CG 3.96Å; M1-L181 HydrophobicContact SD-CD2 4.43Å; V3-L181 HydrophobicContact CG2-CD1 4.15Å; R161-L181 PolarHBondContact NH1-O 3.17Å; T177-L181 HydrophobicContact CG2-CD1 4.12Å; D178-L181 WeakPolarHBondContact O-CB 3.5Å; D178-L181 PolarHBondContact O-N 3.14Å; V179-L181 VanDerWaalsContact C-N 3.27Å; V179-L181 PolarHBondContact O-N 2.56Å; L181-V228 HydrophobicContact CD1-CG1 4.03Å
182P91.4Very high94.1Very high45 Ų4537.7 Ų37.729%0.29218%0.177SC..  trans-59.1144.1178.8-23.132.8000112.2A184 S185 V234P182-A184 PolarHBondContact O-N 3.21Å; P182-A184 VanDerWaalsContact O-N 3.13Å; P182-S185 VanDerWaalsContact O-CB 3.22Å; P182-S185 WeakPolarHBondContact O-CB 3.46Å; P182-S185 PolarHBondContact O-N 3.29Å; P182-S185 PolarHBondContact O-OG 3.25Å; P182-V234 HydrophobicContact CG-CG2 4.21Å
183M88.5Confident94.1Very high121 Ų12141.4 Ų41.460%0.59619%0.191SC*.G310 helixtrans-58.4-27.7175.2-68.6-177.970.300113S185 R186M183-S185 PolarHBondContact O-N 2.92Å; M183-R186 WeakPolarHBondContact O-CB 3.25Å; M183-R186 PolarHBondContact O-N 3.2Å
184A90.6Very high94.1Very high24 Ų2446.7 Ų46.720%0.19822%0.216CC..G310 helixtrans-64.1-15.917600000113.3P182 R186 E187 Y233 I235P182-A184 PolarHBondContact O-N 3.21Å; P182-A184 VanDerWaalsContact O-N 3.13Å; A184-R186 PolarHBondContact O-N 3.09Å; A184-E187 WeakPolarHBondContact O-CB 3.43Å; A184-E187 PolarHBondContact O-N 3.33Å; A184-Y233 WeakPolarHBondContact CB-O 3.45Å; A184-I235 HydrophobicContact CB-CD1 3.89Å; A184-I235 HydrophobicContact CB-CG1 4.05Å
185S90.2Very high94Very high1 Ų146.3 Ų46.31%0.00722%0.215CC..G310 helixtrans-56.4-21.3171.261.80000113.5H163 P182 M183 E187 A188H163-S185 PolarHBondContact NE2-OG 3.32Å; P182-S185 VanDerWaalsContact O-CB 3.22Å; P182-S185 WeakPolarHBondContact O-CB 3.46Å; P182-S185 PolarHBondContact O-N 3.29Å; P182-S185 PolarHBondContact O-OG 3.25Å; M183-S185 PolarHBondContact O-N 2.92Å; S185-E187 PolarHBondContact O-N 3.44Å; S185-E187 VanDerWaalsContact O-N 3.14Å; S185-A188 WeakPolarHBondContact O-CB 3.25Å; S185-A188 PolarHBondContact O-N 3.39Å
186R93.3Very high94Very high70 Ų7046.4 Ų46.426%0.26422%0.215SC..G310 helixtrans-51.8-32.1169.9179.8170.8171.7-160.8-5.7113.3Q153 H163 C164 M183 A184 A188 L189Q153-R186 VanDerWaalsContact CD-NH2 3.3Å; H163-R186 HydrophobicContact CB-CB 4.18Å; H163-R186 HydrophobicContact CB-CG 4.11Å; C164-R186 PolarHBondContact O-NE 3.45Å; M183-R186 WeakPolarHBondContact O-CB 3.25Å; M183-R186 PolarHBondContact O-N 3.2Å; A184-R186 PolarHBondContact O-N 3.09Å; R186-A188 PolarHBondContact O-N 3.09Å; R186-A188 VanDerWaalsContact O-N 3.16Å; R186-L189 HydrophobicContact CG-CD1 4.24Å; R186-L189 VanDerWaalsContact O-CB 3.28Å; R186-L189 WeakPolarHBondContact O-CB 3.33Å; R186-L189 WeakPolarHBondContact O-CG 3.06Å; R186-L189 PolarHBondContact O-N 3.24Å
187E93.5Very high93.9Very high77 Ų7747.1 Ų47.136%0.3622%0.219SC..G310 helixtrans-60.7-23.2178.4-73.7-63.7158.600113A184 S185 L189 R190 Y233A184-E187 WeakPolarHBondContact O-CB 3.43Å; A184-E187 PolarHBondContact O-N 3.33Å; S185-E187 PolarHBondContact O-N 3.44Å; S185-E187 VanDerWaalsContact O-N 3.14Å; E187-L189 PolarHBondContact O-N 2.7Å; E187-L189 VanDerWaalsContact O-N 3.12Å; E187-R190 WeakPolarHBondContact O-CB 3.46Å; E187-R190 PolarHBondContact O-N 3.34Å; E187-R190 IonicContact OE1-CZ 3.63Å; E187-R190 IonicContact OE1-NH1 3.05Å; E187-R190 PolarHBondContact OE1-NH1 2.87Å; E187-R190 IonicContact OE1-NH2 2.65Å; E187-R190 VanDerWaalsContact OE2-CD 3.29Å; E187-R190 WeakPolarHBondContact OE2-CD 3.4Å; E187-R190 IonicContact OE2-CZ 3.45Å; E187-R190 VanDerWaalsContact OE2-CZ 3.25Å; E187-R190 IonicContact OE2-NE 2.84Å; E187-R190 IonicContact OE2-NH1 3.54Å; E187-R190 PolarHBondContact OE2-NH1 2.85Å; E187-Y233 HydrophobicContact CB-CD1 3.9Å; E187-Y233 HydrophobicContact CB-CE1 3.62Å
188A95.2Very high93.9Very high0 Ų050.6 Ų50.60%024%0.238CC..Hα-helixtrans-56.8-28.4172.300000112.9L175 S185 R186 R190 R191 V192 I224 V228 Y233L175-A188 HydrophobicContact CD2-CB 4.34Å; S185-A188 WeakPolarHBondContact O-CB 3.25Å; S185-A188 PolarHBondContact O-N 3.39Å; R186-A188 PolarHBondContact O-N 3.09Å; R186-A188 VanDerWaalsContact O-N 3.16Å; A188-R190 PolarHBondContact O-N 3.41Å; A188-R191 WeakPolarHBondContact O-CB 3.17Å; A188-R191 PolarHBondContact O-N 3.23Å; A188-V192 WeakPolarHBondContact O-CG2 3.4Å; A188-V192 PolarHBondContact O-N 3.16Å; A188-I224 HydrophobicContact CB-CG2 3.86Å; A188-V228 HydrophobicContact CB-CG2 3.5Å; A188-Y233 WeakPolarHBondContact CA-OH 3.49Å; A188-Y233 HydrophobicContact CB-CE2 3.88Å
189L96.8Very high94Very high1 Ų153.1 Ų53.11%0.00525%0.248CC..Hα-helixtrans-63.6-26.4177.6-67.8173.2000113.2H163 F165 F173 L175 R186 E187 R191 V192 Y193H163-L189 HydrophobicContact CB-CD1 3.89Å; F165-L189 HydrophobicContact CB-CB 3.55Å; F165-L189 HydrophobicContact CB-CD1 3.59Å; F165-L189 HydrophobicContact CB-CG 4.14Å; F165-L189 HydrophobicContact CG-CB 4.15Å; F173-L189 HydrophobicContact CB-CD2 3.77Å; L175-L189 HydrophobicContact CB-CD1 4.41Å; L175-L189 HydrophobicContact CB-CD2 3.66Å; L175-L189 HydrophobicContact CB-CG 4.11Å; R186-L189 HydrophobicContact CG-CD1 4.24Å; R186-L189 VanDerWaalsContact O-CB 3.28Å; R186-L189 WeakPolarHBondContact O-CB 3.33Å; R186-L189 WeakPolarHBondContact O-CG 3.06Å; R186-L189 PolarHBondContact O-N 3.24Å; E187-L189 PolarHBondContact O-N 2.7Å; E187-L189 VanDerWaalsContact O-N 3.12Å; L189-R191 VanDerWaalsContact C-N 3.35Å; L189-V192 WeakPolarHBondContact O-CB 3.36Å; L189-V192 PolarHBondContact O-N 2.67Å; L189-Y193 PolarHBondContact O-N 3.35Å
190R95.5Very high94.1Very high137 Ų13751.5 Ų51.552%0.51724%0.238SC..Hα-helixtrans-66.6-39.5172.7-68.4-172.5174138.90.3111.4F165 E187 A188 V192 Y193 E194F165-R190 HydrophobicContact CE2-CG 4.49Å; E187-R190 WeakPolarHBondContact O-CB 3.46Å; E187-R190 PolarHBondContact O-N 3.34Å; E187-R190 IonicContact OE1-CZ 3.63Å; E187-R190 IonicContact OE1-NH1 3.05Å; E187-R190 PolarHBondContact OE1-NH1 2.87Å; E187-R190 IonicContact OE1-NH2 2.65Å; E187-R190 VanDerWaalsContact OE2-CD 3.29Å; E187-R190 WeakPolarHBondContact OE2-CD 3.4Å; E187-R190 IonicContact OE2-CZ 3.45Å; E187-R190 VanDerWaalsContact OE2-CZ 3.25Å; E187-R190 IonicContact OE2-NE 2.84Å; E187-R190 IonicContact OE2-NH1 3.54Å; E187-R190 PolarHBondContact OE2-NH1 2.85Å; A188-R190 PolarHBondContact O-N 3.41Å; R190-V192 VanDerWaalsContact C-N 3.35Å; R190-Y193 WeakPolarHBondContact O-CB 3.25Å; R190-Y193 PolarHBondContact O-N 3.48Å; R190-E194 WeakPolarHBondContact O-CG 3.34Å; R190-E194 PolarHBondContact O-N 2.78Å
191R95.9Very high94.2Very high61 Ų6148.3 Ų48.323%0.2323%0.228CC..Hα-helixtrans-70.8-32.9176.5-61.9-176.763.8-157.9-10.2112.3A188 L189 Y193 E194 A195 I224A188-R191 WeakPolarHBondContact O-CB 3.17Å; A188-R191 PolarHBondContact O-N 3.23Å; L189-R191 VanDerWaalsContact C-N 3.35Å; R191-Y193 VanDerWaalsContact C-N 3.3Å; R191-E194 PolarHBondContact O-N 2.89Å; R191-A195 WeakPolarHBondContact O-CB 3.45Å; R191-A195 PolarHBondContact O-N 2.89Å; R191-I224 HydrophobicContact CB-CD1 3.94Å; R191-I224 HydrophobicContact CB-CG1 4.35Å
192V97.3Very high94.3Very high0 Ų055.2 Ų55.20%026%0.258CS..Hα-helixtrans-62.5-42.3170174.30000109.9L6 F173 A188 L189 R190 A195 Y196 F217 I221 I224L6-V192 HydrophobicContact CD1-CB 4.23Å; L6-V192 HydrophobicContact CD1-CG1 3.75Å; L6-V192 HydrophobicContact CD1-CG2 3.45Å; L6-V192 VanDerWaalsContact CD1-CG2 3.45Å; L6-V192 HydrophobicContact CD2-CG1 4.16Å; F173-V192 HydrophobicContact CD1-CB 4.47Å; F173-V192 HydrophobicContact CD1-CG1 3.39Å; F173-V192 HydrophobicContact CE1-CG1 3.86Å; F173-V192 HydrophobicContact CG-CG1 4.2Å; A188-V192 WeakPolarHBondContact O-CG2 3.4Å; A188-V192 PolarHBondContact O-N 3.16Å; L189-V192 WeakPolarHBondContact O-CB 3.36Å; L189-V192 PolarHBondContact O-N 2.67Å; R190-V192 VanDerWaalsContact C-N 3.35Å; V192-A195 PolarHBondContact O-N 2.89Å; V192-Y196 WeakPolarHBondContact O-CB 3.05Å; V192-Y196 PolarHBondContact O-N 2.79Å; V192-F217 HydrophobicContact CG1-CZ 4.42Å; V192-I221 HydrophobicContact CB-CD1 4.27Å; V192-I221 HydrophobicContact CG1-CD1 3.81Å; V192-I221 HydrophobicContact CG2-CD1 4.03Å; V192-I224 HydrophobicContact CG2-CD1 4.08Å; V192-I224 HydrophobicContact CG2-CG2 4.23Å
193Y96.9Very high94.3Very high80 Ų8055.1 Ų55.131%0.31426%0.255SS..Hα-helixtrans-63.8-44.5176.2174.5-126.7000112.2F165 T167 F173 L189 R190 R191 A195 Y196 T197F165-Y193 HydrophobicContact CE1-CD1 4.14Å; F165-Y193 AromaticContact CE1-CG 4Å; F165-Y193 HydrophobicContact CE1-CG 4Å; F165-Y193 HydrophobicContact CZ-CD1 4.47Å; T167-Y193 HydrophobicContact CG2-CD1 4.47Å; T167-Y193 HydrophobicContact CG2-CD2 3.39Å; T167-Y193 HydrophobicContact CG2-CE1 4.43Å; T167-Y193 HydrophobicContact CG2-CE2 3.37Å; T167-Y193 HydrophobicContact CG2-CG 3.98Å; F173-Y193 AromaticContact CE2-CD2 3.93Å; F173-Y193 HydrophobicContact CE2-CD2 3.93Å; F173-Y193 HydrophobicContact CE2-CG 4.5Å; F173-Y193 HydrophobicContact CZ-CD2 4.12Å; L189-Y193 PolarHBondContact O-N 3.35Å; R190-Y193 WeakPolarHBondContact O-CB 3.25Å; R190-Y193 PolarHBondContact O-N 3.48Å; R191-Y193 VanDerWaalsContact C-N 3.3Å; Y193-A195 PolarHBondContact O-N 3.48Å; Y193-Y196 WeakPolarHBondContact O-CB 3.37Å; Y193-Y196 PolarHBondContact O-N 3.21Å; Y193-Y196 VanDerWaalsContact O-N 3.15Å; Y193-T197 HydrophobicContact CD2-CG2 4.04Å; Y193-T197 HydrophobicContact CE1-CG2 4.49Å; Y193-T197 HydrophobicContact CE2-CG2 3.55Å; Y193-T197 WeakPolarHBondContact O-CG2 3.22Å; Y193-T197 PolarHBondContact O-N 3.11Å
194E96.6Very high94.5Very high111 Ų11154.8 Ų54.852%0.51926%0.262SS..Hα-helixtrans-55.4-50.7172.5-70.1167.5-177.800111.3R190 R191 Y196 T197 D198R190-E194 WeakPolarHBondContact O-CG 3.34Å; R190-E194 PolarHBondContact O-N 2.78Å; R191-E194 PolarHBondContact O-N 2.89Å; E194-Y196 VanDerWaalsContact C-N 3.27Å; E194-Y196 PolarHBondContact O-N 3.28Å; E194-T197 PolarHBondContact O-N 2.84Å; E194-T197 VanDerWaalsContact O-N 3.1Å; E194-T197 PolarHBondContact O-OG1 2.78Å; E194-D198 PolarHBondContact O-N 3.27Å
195A96.6Very high94.4Very high4 Ų462.3 Ų62.33%0.03329%0.29CS..Hα-helixtrans-58.3-38.6176.500000112.6R191 V192 Y193 D198 F199 F217 Q220R191-A195 WeakPolarHBondContact O-CB 3.45Å; R191-A195 PolarHBondContact O-N 2.89Å; V192-A195 PolarHBondContact O-N 2.89Å; Y193-A195 PolarHBondContact O-N 3.48Å; A195-D198 PolarHBondContact O-N 3.41Å; A195-F199 HydrophobicContact CB-CD2 4.15Å; A195-F199 HydrophobicContact CB-CE2 4.42Å; A195-F199 WeakPolarHBondContact O-CB 3.35Å; A195-F199 VanDerWaalsContact O-CD2 3.28Å; A195-F199 WeakPolarHBondContact O-CD2 3.34Å; A195-F199 PolarHBondContact O-N 2.84Å; A195-F217 HydrophobicContact CB-CD2 4.03Å; A195-F217 HydrophobicContact CB-CE2 3.94Å; A195-Q220 HydrophobicContact CB-CB 4.26Å; A195-Q220 HydrophobicContact CB-CG 3.56Å
196Y96.4Very high94.5Very high4 Ų463.6 Ų63.62%0.01630%0.295CS..Hα-helixtrans-65.4-44.1176.8177.2-98.7000110.8V8 Q16 F173 V192 Y193 E194 D198 V200 L201 Y206 F212 F217V8-Y196 HydrophobicContact CG1-CD2 4.39Å; V8-Y196 HydrophobicContact CG1-CE2 4.14Å; Q16-Y196 PolarHBondContact OE1-OH 3Å; F173-Y196 HydrophobicContact CE1-CD2 4.15Å; F173-Y196 AromaticContact CE1-CG 3.94Å; F173-Y196 HydrophobicContact CE1-CG 3.94Å; F173-Y196 AromaticContact CZ-CD1 3.81Å; F173-Y196 HydrophobicContact CZ-CD1 3.81Å; F173-Y196 HydrophobicContact CZ-CD2 4.19Å; F173-Y196 HydrophobicContact CZ-CE1 4.41Å; F173-Y196 AromaticContact CZ-CG 3.68Å; F173-Y196 HydrophobicContact CZ-CG 3.68Å; V192-Y196 WeakPolarHBondContact O-CB 3.05Å; V192-Y196 PolarHBondContact O-N 2.79Å; Y193-Y196 WeakPolarHBondContact O-CB 3.37Å; Y193-Y196 PolarHBondContact O-N 3.21Å; Y193-Y196 VanDerWaalsContact O-N 3.15Å; E194-Y196 VanDerWaalsContact C-N 3.27Å; E194-Y196 PolarHBondContact O-N 3.28Å; Y196-D198 VanDerWaalsContact C-N 3.31Å; Y196-D198 PolarHBondContact O-N 2.92Å; Y196-V200 HydrophobicContact CD2-CB 3.79Å; Y196-V200 HydrophobicContact CD2-CG1 4.04Å; Y196-V200 HydrophobicContact CD2-CG2 3.66Å; Y196-V200 HydrophobicContact CE2-CB 3.91Å; Y196-V200 HydrophobicContact CE2-CG1 3.62Å; Y196-V200 HydrophobicContact CE2-CG2 4.11Å; Y196-V200 HydrophobicContact CG-CB 4.34Å; Y196-V200 HydrophobicContact CG-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CA 3.43Å; Y196-V200 WeakPolarHBondContact O-CB 3.36Å; Y196-V200 PolarHBondContact O-N 3.1Å; Y196-L201 HydrophobicContact CD1-CD1 4.07Å; Y196-L201 HydrophobicContact CD1-CD2 4.45Å; Y196-L201 HydrophobicContact CD1-CG 3.98Å; Y196-L201 HydrophobicContact CE1-CD1 3.79Å; Y196-L201 HydrophobicContact CE1-CD2 3.63Å; Y196-L201 HydrophobicContact CE1-CG 3.63Å; Y196-L201 PolarHBondContact O-N 2.88Å; Y196-L201 VanDerWaalsContact O-N 3.09Å; Y196-Y206 PolarHBondContact OH-OH 2.67Å; Y196-F212 HydrophobicContact CD2-CE1 4.32Å; Y196-F212 AromaticContact CD2-CZ 3.84Å; Y196-F212 HydrophobicContact CD2-CZ 3.84Å; Y196-F212 AromaticContact CE2-CE1 3.67Å; Y196-F212 HydrophobicContact CE2-CE1 3.67Å; Y196-F212 AromaticContact CE2-CZ 3.66Å; Y196-F212 HydrophobicContact CE2-CZ 3.66Å; Y196-F217 HydrophobicContact CD2-CZ 4.46Å
197T94.5Very high94.3Very high40 Ų4062.9 Ų62.925%0.24530%0.304CS..Iπ-helixtrans-62.8-39.3176.560.30000112.3Y193 E194 L201 K202Y193-T197 HydrophobicContact CD2-CG2 4.04Å; Y193-T197 HydrophobicContact CE1-CG2 4.49Å; Y193-T197 HydrophobicContact CE2-CG2 3.55Å; Y193-T197 WeakPolarHBondContact O-CG2 3.22Å; Y193-T197 PolarHBondContact O-N 3.11Å; E194-T197 PolarHBondContact O-N 2.84Å; E194-T197 VanDerWaalsContact O-N 3.1Å; E194-T197 PolarHBondContact O-OG1 2.78Å; T197-L201 HydrophobicContact CG2-CD1 4.14Å; T197-K202 PolarHBondContact O-N 3.21Å
198D94.5Very high93.9Very high73 Ų7367.7 Ų67.739%0.3932%0.319SS..Iπ-helixtrans-79.5-44.4-175.1-78.8-24.7000114E194 A195 Y196 K202E194-D198 PolarHBondContact O-N 3.27Å; A195-D198 PolarHBondContact O-N 3.41Å; Y196-D198 VanDerWaalsContact C-N 3.31Å; Y196-D198 PolarHBondContact O-N 2.92Å; D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 WeakPolarHBondContact OD1-CE 3.18Å; D198-K202 IonicContact OD1-NZ 3.51Å; D198-K202 PolarHBondContact OD1-NZ 3.04Å
199F94.4Very high93.4Very high76 Ų7669.9 Ų69.933%0.33333%0.33SS..Iπ-helixtrans-98-20.6-172.9-60-61.6000113.8A195 F216 F217 Q220A195-F199 HydrophobicContact CB-CD2 4.15Å; A195-F199 HydrophobicContact CB-CE2 4.42Å; A195-F199 WeakPolarHBondContact O-CB 3.35Å; A195-F199 VanDerWaalsContact O-CD2 3.28Å; A195-F199 WeakPolarHBondContact O-CD2 3.34Å; A195-F199 PolarHBondContact O-N 2.84Å; F199-F216 HydrophobicContact CD1-CB 3.7Å; F199-F216 HydrophobicContact CE1-CB 4.05Å; F199-F216 HydrophobicContact CG-CB 4.15Å; F199-F217 HydrophobicContact CB-CB 3.95Å; F199-F217 HydrophobicContact CB-CD2 4.45Å; F199-Q220 HydrophobicContact CD2-CB 4.31Å; F199-Q220 HydrophobicContact CE2-CB 3.92Å; F199-Q220 HydrophobicContact CE2-CG 3.98Å
200V94.8Very high93.2Very high0 Ų075 Ų750%035%0.354CS..Iπ-helixtrans-106.1-58.6-178-174.80000110.5Y196 K202 N203 Y206 F212 Y214 F217Y196-V200 HydrophobicContact CD2-CB 3.79Å; Y196-V200 HydrophobicContact CD2-CG1 4.04Å; Y196-V200 HydrophobicContact CD2-CG2 3.66Å; Y196-V200 HydrophobicContact CE2-CB 3.91Å; Y196-V200 HydrophobicContact CE2-CG1 3.62Å; Y196-V200 HydrophobicContact CE2-CG2 4.11Å; Y196-V200 HydrophobicContact CG-CB 4.34Å; Y196-V200 HydrophobicContact CG-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CA 3.43Å; Y196-V200 WeakPolarHBondContact O-CB 3.36Å; Y196-V200 PolarHBondContact O-N 3.1Å; V200-K202 PolarHBondContact O-N 2.91Å; V200-N203 WeakPolarHBondContact O-CB 3.29Å; V200-N203 PolarHBondContact O-N 2.76Å; V200-Y206 HydrophobicContact CG1-CD1 3.72Å; V200-Y206 HydrophobicContact CG1-CD2 3.85Å; V200-Y206 HydrophobicContact CG1-CE1 3.62Å; V200-Y206 HydrophobicContact CG1-CE2 3.78Å; V200-Y206 HydrophobicContact CG1-CG 3.83Å; V200-Y206 WeakPolarHBondContact O-CB 3.41Å; V200-F212 HydrophobicContact CB-CE2 4.49Å; V200-F212 HydrophobicContact CG1-CD1 4.03Å; V200-F212 HydrophobicContact CG1-CD2 4.21Å; V200-F212 HydrophobicContact CG1-CE1 4.04Å; V200-F212 HydrophobicContact CG1-CE2 4.22Å; V200-F212 HydrophobicContact CG1-CG 4.11Å; V200-F212 HydrophobicContact CG1-CZ 4.14Å; V200-F212 HydrophobicContact CG2-CD2 3.91Å; V200-F212 HydrophobicContact CG2-CE2 3.46Å; V200-F212 VanDerWaalsContact CG2-CE2 3.46Å; V200-F212 HydrophobicContact CG2-CZ 3.84Å; V200-Y214 HydrophobicContact CB-CD2 4.44Å; V200-Y214 HydrophobicContact CB-CE2 4.5Å; V200-Y214 HydrophobicContact CG1-CD2 4.37Å; V200-Y214 HydrophobicContact CG1-CE2 4.05Å; V200-Y214 HydrophobicContact CG2-CD2 4.11Å; V200-F217 HydrophobicContact CG2-CB 4.33Å; V200-F217 HydrophobicContact CG2-CD1 4.46Å; V200-F217 HydrophobicContact CG2-CD2 3.98Å; V200-F217 HydrophobicContact CG2-CE2 4.4Å; V200-F217 HydrophobicContact CG2-CG 4Å
201L92.9Very high93.1Very high86 Ų8672.7 Ų72.745%0.4536%0.357SS..Iπ-helixtrans-73.8-27-172.3-61.2-174.7000114.3Y196 T197 N203 Y206Y196-L201 HydrophobicContact CD1-CD1 4.07Å; Y196-L201 HydrophobicContact CD1-CD2 4.45Å; Y196-L201 HydrophobicContact CD1-CG 3.98Å; Y196-L201 HydrophobicContact CE1-CD1 3.79Å; Y196-L201 HydrophobicContact CE1-CD2 3.63Å; Y196-L201 HydrophobicContact CE1-CG 3.63Å; Y196-L201 PolarHBondContact O-N 2.88Å; Y196-L201 VanDerWaalsContact O-N 3.09Å; T197-L201 HydrophobicContact CG2-CD1 4.14Å; L201-N203 PolarHBondContact O-N 2.84Å; L201-Y206 HydrophobicContact CD2-CD1 3.98Å; L201-Y206 HydrophobicContact CD2-CE1 3.78Å
202K94Very high93.1Very high149 Ų14970.7 Ų70.765%0.64835%0.35SS*.THydrogen-bonded Turntrans-74.8-11.4173.4-71.8179.2179.8166.40113.2T197 D198 V200 P204T197-K202 PolarHBondContact O-N 3.21Å; D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 WeakPolarHBondContact OD1-CE 3.18Å; D198-K202 IonicContact OD1-NZ 3.51Å; D198-K202 PolarHBondContact OD1-NZ 3.04Å; V200-K202 PolarHBondContact O-N 2.91Å; K202-P204 WeakPolarHBondContact O-CD 3.2Å
203N92Very high92.8Very high42 Ų4277.2 Ų77.223%0.22539%0.385CS..  trans-74.3116.1177.9-173-22000109.5V200 L201 F205 Y206 Y214V200-N203 WeakPolarHBondContact O-CB 3.29Å; V200-N203 PolarHBondContact O-N 2.76Å; L201-N203 PolarHBondContact O-N 2.84Å; N203-F205 PolarHBondContact O-N 3.07Å; N203-F205 VanDerWaalsContact O-N 3.08Å; N203-F205 WeakPolarHBondContact OD1-CD2 3.21Å; N203-F205 PolarHBondContact OD1-N 2.98Å; N203-Y206 WeakPolarHBondContact O-CB 2.83Å; N203-Y206 PolarHBondContact O-N 3.24Å; N203-Y214 VanDerWaalsContact ND2-CE1 3.27Å; N203-Y214 WeakPolarHBondContact ND2-CE1 3.24Å
204P91.8Very high92.7Very high114 Ų11476.2 Ų76.274%0.7438%0.381SS*.THydrogen-bonded Turntrans-64.4-16.8-176.428.4-37.3000113.7K202K202-P204 WeakPolarHBondContact O-CD 3.2Å
205F89.5Confident92.6Very high182 Ų18277.7 Ų77.780%0.79839%0.388SS*.THydrogen-bonded Turntrans-92.6-4.8177-56-71.5000113.5N203 A207N203-F205 PolarHBondContact O-N 3.07Å; N203-F205 VanDerWaalsContact O-N 3.08Å; N203-F205 WeakPolarHBondContact OD1-CD2 3.21Å; N203-F205 PolarHBondContact OD1-N 2.98Å; F205-A207 PolarHBondContact O-N 3.4Å
206Y91.4Very high92.5Very high29 Ų2984.8 Ų84.811%0.11442%0.418CS..PPolyproline II helixtrans-78.2119178-178.6-111000110.8Q16 Y196 V200 L201 N203 Q210 F212 Y214Q16-Y206 PolarHBondContact OE1-OH 2.67Å; Y196-Y206 PolarHBondContact OH-OH 2.67Å; V200-Y206 HydrophobicContact CG1-CD1 3.72Å; V200-Y206 HydrophobicContact CG1-CD2 3.85Å; V200-Y206 HydrophobicContact CG1-CE1 3.62Å; V200-Y206 HydrophobicContact CG1-CE2 3.78Å; V200-Y206 HydrophobicContact CG1-CG 3.83Å; V200-Y206 WeakPolarHBondContact O-CB 3.41Å; L201-Y206 HydrophobicContact CD2-CD1 3.98Å; L201-Y206 HydrophobicContact CD2-CE1 3.78Å; N203-Y206 WeakPolarHBondContact O-CB 2.83Å; N203-Y206 PolarHBondContact O-N 3.24Å; Y206-Q210 PolarHBondContact OH-O 3.42Å; Y206-F212 HydrophobicContact CD2-CB 4.25Å; Y206-F212 HydrophobicContact CE2-CB 3.95Å; Y206-F212 AromaticContact CE2-CD1 3.63Å; Y206-F212 HydrophobicContact CE2-CD1 3.63Å; Y206-F212 HydrophobicContact CE2-CG 4.07Å; Y206-F212 AromaticContact CZ-CD1 3.99Å; Y206-Y214 HydrophobicContact CD2-CE2 4.02Å
207A88.9Confident92.6Very high54 Ų5484.6 Ų84.645%0.44642%0.418SS..PPolyproline II helixtrans-94.8135.7170.600000110.4F205 Q210F205-A207 PolarHBondContact O-N 3.4Å; A207-Q210 HydrophobicContact CB-CG 3.87Å; A207-Q210 WeakPolarHBondContact O-CB 2.83Å; A207-Q210 PolarHBondContact O-N 3.28Å
208R85.5Confident92.7Very high179 Ų17983.5 Ų83.568%0.67541%0.413SS*.THydrogen-bonded Turntrans-57.7144.8179.7-165.6-172.9-60.5174.63.1110.7Q210R208-Q210 PolarHBondContact O-N 3.3Å
209N86.2Confident92.8Very high45 Ų4583.9 Ų83.924%0.24142%0.415CS..THydrogen-bonded Turntrans67.210.7177.8-57.4-31.1000114.9S10 E11S10-N209 VanDerWaalsContact CB-OD1 3.32Å; S10-N209 WeakPolarHBondContact CB-OD1 3.23Å; E11-N209 PolarHBondContact OE1-ND2 2.94Å
210Q91.2Very high92.9Very high109 Ų10983.1 Ų83.151%0.50941%0.412SS..  trans-92.2149.2169.6-64.4-64.4-36.300111.4Y206 A207 R208Y206-Q210 PolarHBondContact OH-O 3.42Å; A207-Q210 HydrophobicContact CB-CG 3.87Å; A207-Q210 WeakPolarHBondContact O-CB 2.83Å; A207-Q210 PolarHBondContact O-N 3.28Å; R208-Q210 PolarHBondContact O-N 3.3Å
211P94.1Very high93Very high89 Ų8983.1 Ų83.158%0.57841%0.412SS*.  trans-66.3150.8167.930.8-34.4000110.7Q16Q16-P211 CarbonylContact O-C 3.57Å; Q16-P211 WeakPolarHBondContact O-CA 3.13Å
212F94.7Very high93.1Very high18 Ų1884 Ų848%0.07941%0.412CS..  trans-142.1158178.961.7-88.4000111.1V8 Q16 F17 Y196 V200 Y206 Y214 F217V8-F212 HydrophobicContact CG1-CZ 4.48Å; V8-F212 HydrophobicContact CG2-CZ 4.5Å; Q16-F212 HydrophobicContact CB-CD1 4.03Å; Q16-F212 HydrophobicContact CB-CE1 3.67Å; Q16-F212 PolarHBondContact O-N 3.25Å; F17-F212 HydrophobicContact CB-CD1 4.44Å; F17-F212 HydrophobicContact CB-CD2 4.29Å; F17-F212 HydrophobicContact CB-CE1 3.85Å; F17-F212 HydrophobicContact CB-CE2 3.67Å; F17-F212 HydrophobicContact CB-CZ 3.43Å; F17-F212 VanDerWaalsContact CB-CZ 3.43Å; F17-F212 HydrophobicContact CD2-CD2 4.14Å; F17-F212 AromaticContact CD2-CE2 3.84Å; F17-F212 HydrophobicContact CD2-CE2 3.84Å; F17-F212 HydrophobicContact CD2-CZ 4.47Å; F17-F212 WeakPolarHBondContact CD2-O 3.48Å; F17-F212 HydrophobicContact CG-CD2 4.5Å; F17-F212 AromaticContact CG-CE2 3.84Å; F17-F212 HydrophobicContact CG-CE2 3.84Å; F17-F212 HydrophobicContact CG-CZ 4.04Å; Y196-F212 HydrophobicContact CD2-CE1 4.32Å; Y196-F212 AromaticContact CD2-CZ 3.84Å; Y196-F212 HydrophobicContact CD2-CZ 3.84Å; Y196-F212 AromaticContact CE2-CE1 3.67Å; Y196-F212 HydrophobicContact CE2-CE1 3.67Å; Y196-F212 AromaticContact CE2-CZ 3.66Å; Y196-F212 HydrophobicContact CE2-CZ 3.66Å; V200-F212 HydrophobicContact CB-CE2 4.49Å; V200-F212 HydrophobicContact CG1-CD1 4.03Å; V200-F212 HydrophobicContact CG1-CD2 4.21Å; V200-F212 HydrophobicContact CG1-CE1 4.04Å; V200-F212 HydrophobicContact CG1-CE2 4.22Å; V200-F212 HydrophobicContact CG1-CG 4.11Å; V200-F212 HydrophobicContact CG1-CZ 4.14Å; V200-F212 HydrophobicContact CG2-CD2 3.91Å; V200-F212 HydrophobicContact CG2-CE2 3.46Å; V200-F212 VanDerWaalsContact CG2-CE2 3.46Å; V200-F212 HydrophobicContact CG2-CZ 3.84Å; Y206-F212 HydrophobicContact CD2-CB 4.25Å; Y206-F212 HydrophobicContact CE2-CB 3.95Å; Y206-F212 AromaticContact CE2-CD1 3.63Å; Y206-F212 HydrophobicContact CE2-CD1 3.63Å; Y206-F212 HydrophobicContact CE2-CG 4.07Å; Y206-F212 AromaticContact CZ-CD1 3.99Å; F212-Y214 HydrophobicContact CB-CD2 3.92Å; F212-Y214 HydrophobicContact CB-CE2 3.58Å; F212-Y214 AromaticContact CD2-CD2 3.71Å; F212-Y214 HydrophobicContact CD2-CD2 3.71Å; F212-Y214 HydrophobicContact CD2-CE2 4.13Å; F212-Y214 HydrophobicContact CG-CD2 4.12Å; F212-Y214 HydrophobicContact CG-CE2 4.06Å; F212-F217 AromaticContact CE2-CD1 3.63Å; F212-F217 HydrophobicContact CE2-CD1 3.63Å; F212-F217 AromaticContact CE2-CE1 3.74Å; F212-F217 HydrophobicContact CE2-CE1 3.74Å; F212-F217 HydrophobicContact CE2-CG 4.31Å; F212-F217 HydrophobicContact CZ-CD1 4.43Å; F212-F217 HydrophobicContact CZ-CE1 4.09Å
213N92.7Very high93.2Very high137 Ų13779.6 Ų79.673%0.73340%0.398SS*.  trans-146.167.9176.9-172.117.7000110
214Y94.8Very high93.4Very high60 Ų6077.7 Ų77.724%0.23539%0.388CS..  trans-88.7125.2179.8-58-57.5000110.5V200 N203 Y206 F212 F216 F217 A218V200-Y214 HydrophobicContact CB-CD2 4.44Å; V200-Y214 HydrophobicContact CB-CE2 4.5Å; V200-Y214 HydrophobicContact CG1-CD2 4.37Å; V200-Y214 HydrophobicContact CG1-CE2 4.05Å; V200-Y214 HydrophobicContact CG2-CD2 4.11Å; N203-Y214 VanDerWaalsContact ND2-CE1 3.27Å; N203-Y214 WeakPolarHBondContact ND2-CE1 3.24Å; Y206-Y214 HydrophobicContact CD2-CE2 4.02Å; F212-Y214 HydrophobicContact CB-CD2 3.92Å; F212-Y214 HydrophobicContact CB-CE2 3.58Å; F212-Y214 AromaticContact CD2-CD2 3.71Å; F212-Y214 HydrophobicContact CD2-CD2 3.71Å; F212-Y214 HydrophobicContact CD2-CE2 4.13Å; F212-Y214 HydrophobicContact CG-CD2 4.12Å; F212-Y214 HydrophobicContact CG-CE2 4.06Å; Y214-F216 PolarHBondContact O-N 2.92Å; Y214-F217 WeakPolarHBondContact O-CB 3.49Å; Y214-F217 PolarHBondContact O-N 3.14Å; Y214-A218 PolarHBondContact O-N 2.89Å
215E94.5Very high93.6Very high142 Ų14272.2 Ų72.266%0.66435%0.353SS*.Hα-helixtrans-60.9-43-175.2-171-178.4168.900112.9F217 A218 N219E215-F217 VanDerWaalsContact C-N 3.28Å; E215-F217 PolarHBondContact O-N 2.84Å; E215-A218 PolarHBondContact O-N 3.38Å; E215-N219 WeakPolarHBondContact O-CB 3.43Å; E215-N219 PolarHBondContact O-N 2.82Å; E215-N219 PolarHBondContact O-ND2 2.82Å
216F94.4Very high93.8Very high152 Ų15266.1 Ų66.167%0.66733%0.328SS*.Hα-helixtrans-59.5-39.9177.1-69.3-71.2000112.6F199 Y214 Q220F199-F216 HydrophobicContact CD1-CB 3.7Å; F199-F216 HydrophobicContact CE1-CB 4.05Å; F199-F216 HydrophobicContact CG-CB 4.15Å; Y214-F216 PolarHBondContact O-N 2.92Å; F216-Q220 WeakPolarHBondContact O-CB 3.46Å; F216-Q220 PolarHBondContact O-N 2.74Å
217F96.7Very high93.9Very high0 Ų067 Ų670%033%0.334CS..Hα-helixtrans-65.6-48.8175.1-178.4-107.1000110.6V8 F17 V192 A195 Y196 F199 V200 F212 Y214 E215 N219 Q220 I221V8-F217 HydrophobicContact CG2-CE1 4.41Å; V8-F217 HydrophobicContact CG2-CZ 4.32Å; F17-F217 HydrophobicContact CD1-CD1 4.25Å; F17-F217 AromaticContact CD1-CE1 3.6Å; F17-F217 HydrophobicContact CD1-CE1 3.6Å; F17-F217 HydrophobicContact CD2-CD1 4.29Å; F17-F217 HydrophobicContact CD2-CE1 4.35Å; F17-F217 AromaticContact CE1-CD1 3.98Å; F17-F217 HydrophobicContact CE1-CD1 3.98Å; F17-F217 AromaticContact CE1-CE1 3.56Å; F17-F217 HydrophobicContact CE1-CE1 3.56Å; F17-F217 HydrophobicContact CE2-CD1 4.04Å; F17-F217 HydrophobicContact CE2-CE1 4.35Å; F17-F217 HydrophobicContact CG-CD1 4.38Å; F17-F217 AromaticContact CG-CE1 3.99Å; F17-F217 HydrophobicContact CG-CE1 3.99Å; F17-F217 AromaticContact CZ-CD1 3.87Å; F17-F217 HydrophobicContact CZ-CD1 3.87Å; F17-F217 AromaticContact CZ-CE1 3.96Å; F17-F217 HydrophobicContact CZ-CE1 3.96Å; V192-F217 HydrophobicContact CG1-CZ 4.42Å; A195-F217 HydrophobicContact CB-CD2 4.03Å; A195-F217 HydrophobicContact CB-CE2 3.94Å; Y196-F217 HydrophobicContact CD2-CZ 4.46Å; F199-F217 HydrophobicContact CB-CB 3.95Å; F199-F217 HydrophobicContact CB-CD2 4.45Å; V200-F217 HydrophobicContact CG2-CB 4.33Å; V200-F217 HydrophobicContact CG2-CD1 4.46Å; V200-F217 HydrophobicContact CG2-CD2 3.98Å; V200-F217 HydrophobicContact CG2-CE2 4.4Å; V200-F217 HydrophobicContact CG2-CG 4Å; F212-F217 AromaticContact CE2-CD1 3.63Å; F212-F217 HydrophobicContact CE2-CD1 3.63Å; F212-F217 AromaticContact CE2-CE1 3.74Å; F212-F217 HydrophobicContact CE2-CE1 3.74Å; F212-F217 HydrophobicContact CE2-CG 4.31Å; F212-F217 HydrophobicContact CZ-CD1 4.43Å; F212-F217 HydrophobicContact CZ-CE1 4.09Å; Y214-F217 WeakPolarHBondContact O-CB 3.49Å; Y214-F217 PolarHBondContact O-N 3.14Å; E215-F217 VanDerWaalsContact C-N 3.28Å; E215-F217 PolarHBondContact O-N 2.84Å; F217-N219 VanDerWaalsContact C-N 3.32Å; F217-N219 PolarHBondContact O-N 2.65Å; F217-Q220 WeakPolarHBondContact O-CB 3.34Å; F217-Q220 PolarHBondContact O-N 3.38Å; F217-Q220 VanDerWaalsContact O-N 3.08Å; F217-I221 HydrophobicContact CD1-CG1 4.06Å; F217-I221 HydrophobicContact CD2-CD1 4.44Å; F217-I221 HydrophobicContact CE1-CD1 4.08Å; F217-I221 HydrophobicContact CE1-CG1 3.75Å; F217-I221 HydrophobicContact CE2-CD1 3.79Å; F217-I221 HydrophobicContact CE2-CG1 4.22Å; F217-I221 HydrophobicContact CG-CG1 4.47Å; F217-I221 HydrophobicContact CZ-CD1 3.62Å; F217-I221 HydrophobicContact CZ-CG1 3.84Å; F217-I221 WeakPolarHBondContact O-CG1 3.46Å; F217-I221 PolarHBondContact O-N 3.15Å
218A96.4Very high94.1Very high17 Ų1764.6 Ų64.614%0.1431%0.313CS..Hα-helixtrans-58.1-42.4178.700000112.6F17 Y214 E215 Q220 I221 K222F17-A218 HydrophobicContact CZ-CB 4.33Å; Y214-A218 PolarHBondContact O-N 2.89Å; E215-A218 PolarHBondContact O-N 3.38Å; A218-Q220 VanDerWaalsContact C-N 3.33Å; A218-Q220 PolarHBondContact O-N 2.74Å; A218-I221 PolarHBondContact O-N 2.93Å; A218-K222 PolarHBondContact O-N 3.24Å
219N96.9Very high94.4Very high82 Ų8258.7 Ų58.744%0.43929%0.293SS..Hα-helixtrans-63.6-38.2175.7-72.5-22.5000112.2E215 F217 T223E215-N219 WeakPolarHBondContact O-CB 3.43Å; E215-N219 PolarHBondContact O-N 2.82Å; E215-N219 PolarHBondContact O-ND2 2.82Å; F217-N219 VanDerWaalsContact C-N 3.32Å; F217-N219 PolarHBondContact O-N 2.65Å; N219-T223 PolarHBondContact O-N 3Å; N219-T223 VanDerWaalsContact O-N 3.09Å; N219-T223 PolarHBondContact O-OG1 3.35Å
220Q96.6Very high94.6Very high59 Ų5964.8 Ų64.828%0.27632%0.317SS..Hα-helixtrans-67.9-40.2174.8-173.163.41000111.7A195 F199 F216 F217 A218 T223 I224A195-Q220 HydrophobicContact CB-CB 4.26Å; A195-Q220 HydrophobicContact CB-CG 3.56Å; F199-Q220 HydrophobicContact CD2-CB 4.31Å; F199-Q220 HydrophobicContact CE2-CB 3.92Å; F199-Q220 HydrophobicContact CE2-CG 3.98Å; F216-Q220 WeakPolarHBondContact O-CB 3.46Å; F216-Q220 PolarHBondContact O-N 2.74Å; F217-Q220 WeakPolarHBondContact O-CB 3.34Å; F217-Q220 PolarHBondContact O-N 3.38Å; F217-Q220 VanDerWaalsContact O-N 3.08Å; A218-Q220 VanDerWaalsContact C-N 3.33Å; A218-Q220 PolarHBondContact O-N 2.74Å; Q220-T223 WeakPolarHBondContact O-CB 3.41Å; Q220-T223 PolarHBondContact O-N 3.45Å; Q220-I224 HydrophobicContact CG-CD1 4.12Å; Q220-I224 VanDerWaalsContact O-CG1 3.3Å; Q220-I224 WeakPolarHBondContact O-CG1 3.4Å; Q220-I224 PolarHBondContact O-N 2.96Å
221I97.2Very high94.2Very high0 Ų060.9 Ų60.90%031%0.307CS..Hα-helixtrans-60.6-47.9174.7-62.6-45.5000110.8L6 F17 Y19 V192 F217 A218 T223 I224 C225L6-I221 HydrophobicContact CB-CG2 4.16Å; L6-I221 HydrophobicContact CD1-CD1 4.35Å; L6-I221 HydrophobicContact CD1-CG2 4.13Å; L6-I221 HydrophobicContact CD2-CD1 4.47Å; L6-I221 HydrophobicContact CD2-CG2 4.44Å; L6-I221 HydrophobicContact CG-CG2 4.47Å; F17-I221 HydrophobicContact CE1-CG1 4.31Å; Y19-I221 HydrophobicContact CD1-CG2 3.56Å; Y19-I221 HydrophobicContact CE1-CG2 4.2Å; Y19-I221 HydrophobicContact CG-CG2 3.88Å; V192-I221 HydrophobicContact CB-CD1 4.27Å; V192-I221 HydrophobicContact CG1-CD1 3.81Å; V192-I221 HydrophobicContact CG2-CD1 4.03Å; F217-I221 HydrophobicContact CD1-CG1 4.06Å; F217-I221 HydrophobicContact CD2-CD1 4.44Å; F217-I221 HydrophobicContact CE1-CD1 4.08Å; F217-I221 HydrophobicContact CE1-CG1 3.75Å; F217-I221 HydrophobicContact CE2-CD1 3.79Å; F217-I221 HydrophobicContact CE2-CG1 4.22Å; F217-I221 HydrophobicContact CG-CG1 4.47Å; F217-I221 HydrophobicContact CZ-CD1 3.62Å; F217-I221 HydrophobicContact CZ-CG1 3.84Å; F217-I221 WeakPolarHBondContact O-CG1 3.46Å; F217-I221 PolarHBondContact O-N 3.15Å; A218-I221 PolarHBondContact O-N 2.93Å; I221-T223 VanDerWaalsContact C-N 3.29Å; I221-T223 PolarHBondContact O-N 3.18Å; I221-I224 HydrophobicContact CD1-CD1 4.43Å; I221-I224 WeakPolarHBondContact O-CB 3.33Å; I221-I224 PolarHBondContact O-N 3.35Å; I221-I224 VanDerWaalsContact O-N 3.08Å; I221-C225 PolarHBondContact O-N 3.14Å; I221-C225 PolarHBondContact O-SG 3.49Å
222K96.2Very high93.5Very high104 Ų10462 Ų6245%0.45231%0.305SS..Hα-helixtrans-52.1-49.2174.7-177.1179.3178.3-178.90111.7Y19 A218 I224 C225 D226Y19-K222 HydrophobicContact CE1-CB 4.43Å; Y19-K222 WeakPolarHBondContact OH-CB 3.3Å; Y19-K222 WeakPolarHBondContact OH-CG 3.27Å; A218-K222 PolarHBondContact O-N 3.24Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 3.49Å; K222-C225 PolarHBondContact O-N 2.94Å; K222-C225 VanDerWaalsContact O-N 3.17Å; K222-D226 PolarHBondContact O-N 3.05Å
223T95.9Very high92.6Very high58 Ų5862.9 Ų62.936%0.35631%0.309SS..Hα-helixtrans-59.7-41.3178.8-56.40000112N219 Q220 I221 Q227N219-T223 PolarHBondContact O-N 3Å; N219-T223 VanDerWaalsContact O-N 3.09Å; N219-T223 PolarHBondContact O-OG1 3.35Å; Q220-T223 WeakPolarHBondContact O-CB 3.41Å; Q220-T223 PolarHBondContact O-N 3.45Å; I221-T223 VanDerWaalsContact C-N 3.29Å; I221-T223 PolarHBondContact O-N 3.18Å; T223-Q227 WeakPolarHBondContact O-CB 3.48Å; T223-Q227 VanDerWaalsContact O-CG 3.22Å; T223-Q227 WeakPolarHBondContact O-CG 3.48Å; T223-Q227 PolarHBondContact O-N 2.81Å; T223-Q227 VanDerWaalsContact O-N 3.11Å
224I95.8Very high91.6Very high1 Ų160.4 Ų60.41%0.00530%0.298CS..Hα-helixtrans-65.7-43.1176.7-68.1165000110.6A188 R191 V192 Q220 I221 K222 Q227 V228A188-I224 HydrophobicContact CB-CG2 3.86Å; R191-I224 HydrophobicContact CB-CD1 3.94Å; R191-I224 HydrophobicContact CB-CG1 4.35Å; V192-I224 HydrophobicContact CG2-CD1 4.08Å; V192-I224 HydrophobicContact CG2-CG2 4.23Å; Q220-I224 HydrophobicContact CG-CD1 4.12Å; Q220-I224 VanDerWaalsContact O-CG1 3.3Å; Q220-I224 WeakPolarHBondContact O-CG1 3.4Å; Q220-I224 PolarHBondContact O-N 2.96Å; I221-I224 HydrophobicContact CD1-CD1 4.43Å; I221-I224 WeakPolarHBondContact O-CB 3.33Å; I221-I224 PolarHBondContact O-N 3.35Å; I221-I224 VanDerWaalsContact O-N 3.08Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 3.49Å; I224-Q227 WeakPolarHBondContact O-CB 3.46Å; I224-Q227 PolarHBondContact O-N 2.76Å; I224-V228 WeakPolarHBondContact O-CG2 3.21Å; I224-V228 PolarHBondContact O-N 2.88Å
225C95.3Very high90Very high0 Ų064.4 Ų64.40%032%0.322CS..Hα-helixtrans-62.1-48.7177.3-660000111.6V3 H21 I221 K222 Q227 V228 E229V3-C225 HydrophobicContact CB-CB 4.24Å; V3-C225 HydrophobicContact CG1-CB 4.25Å; V3-C225 HydrophobicContact CG2-CB 4.45Å; H21-C225 HydrophobicContact CB-CB 4.29Å; H21-C225 VanDerWaalsContact ND1-CB 3.31Å; H21-C225 WeakPolarHBondContact ND1-CB 3.47Å; I221-C225 PolarHBondContact O-N 3.14Å; I221-C225 PolarHBondContact O-SG 3.49Å; K222-C225 PolarHBondContact O-N 2.94Å; K222-C225 VanDerWaalsContact O-N 3.17Å; C225-Q227 PolarHBondContact O-N 3.26Å; C225-V228 WeakPolarHBondContact O-CB 3.43Å; C225-V228 PolarHBondContact O-N 3.22Å; C225-V228 VanDerWaalsContact O-N 3.09Å; C225-E229 WeakPolarHBondContact O-CG 3.44Å; C225-E229 PolarHBondContact O-N 3.23Å
226D94.1Very high87.7Confident53 Ų5368 Ų6828%0.28335%0.346SS..Hα-helixtrans-56.1-37.1175.6-71.5-26.2000112H21 K222 K230H21-D226 IonicContact CE1-OD1 2.67Å; H21-D226 PolarHBondContact CE1-OD1 2.75Å; H21-D226 IonicContact NE2-OD1 3.34Å; K222-D226 PolarHBondContact O-N 3.05Å; D226-K230 VanDerWaalsContact O-CG 3.25Å; D226-K230 WeakPolarHBondContact O-CG 3.11Å; D226-K230 PolarHBondContact O-N 3.26Å; D226-K230 VanDerWaalsContact O-N 3.1Å
227Q93Very high87.4Confident49 Ų4963.8 Ų63.823%0.22933%0.33CS..Hα-helixtrans-71.3-37178.6-83.8176.1-5.700113.2T223 I224 C225 K230 M232T223-Q227 WeakPolarHBondContact O-CB 3.48Å; T223-Q227 VanDerWaalsContact O-CG 3.22Å; T223-Q227 WeakPolarHBondContact O-CG 3.48Å; T223-Q227 PolarHBondContact O-N 2.81Å; T223-Q227 VanDerWaalsContact O-N 3.11Å; I224-Q227 WeakPolarHBondContact O-CB 3.46Å; I224-Q227 PolarHBondContact O-N 2.76Å; C225-Q227 PolarHBondContact O-N 3.26Å; Q227-K230 PolarHBondContact O-N 3.04Å; Q227-M232 HydrophobicContact CB-CG 4.26Å; Q227-M232 HydrophobicContact CB-SD 3.44Å; Q227-M232 WeakPolarHBondContact CB-SD 3.39Å; Q227-M232 HydrophobicContact CG-SD 3.52Å; Q227-M232 VanDerWaalsContact CG-SD 3.52Å; Q227-M232 WeakPolarHBondContact O-CB 3.38Å; Q227-M232 WeakPolarHBondContact O-CG 3.36Å; Q227-M232 PolarHBondContact O-N 3Å
228V92.8Very high86.9Confident3 Ų367.1 Ų67.12%0.01835%0.347CS..Hα-helixtrans-63-44.9172.5171.20000110.3V3 L181 A188 I224 C225 K230 G231 Y233V3-V228 HydrophobicContact CG2-CB 3.88Å; V3-V228 HydrophobicContact CG2-CG1 3.63Å; L181-V228 HydrophobicContact CD1-CG1 4.03Å; A188-V228 HydrophobicContact CB-CG2 3.5Å; I224-V228 WeakPolarHBondContact O-CG2 3.21Å; I224-V228 PolarHBondContact O-N 2.88Å; C225-V228 WeakPolarHBondContact O-CB 3.43Å; C225-V228 PolarHBondContact O-N 3.22Å; C225-V228 VanDerWaalsContact O-N 3.09Å; V228-K230 VanDerWaalsContact C-N 3.31Å; V228-K230 PolarHBondContact O-N 2.89Å; V228-G231 PolarHBondContact O-N 3.05Å; V228-G231 VanDerWaalsContact O-N 3.09Å; V228-Y233 HydrophobicContact CG2-CD2 4.14Å; V228-Y233 HydrophobicContact CG2-CE2 3.69Å
229E91.9Very high86.4Confident54 Ų5469.9 Ų69.925%0.25236%0.359SS..Hα-helixtrans-65.4-34-179.6-67-177.215600113S2 V3 H21 C225 G231S2-E229 WeakPolarHBondContact CA-OE1 3.49Å; S2-E229 WeakPolarHBondContact CB-OE1 3.36Å; S2-E229 PolarHBondContact OG-OE1 3.46Å; V3-E229 HydrophobicContact CG2-CG 4.01Å; V3-E229 PolarHBondContact N-OE1 2.69Å; H21-E229 IonicContact CD2-OE1 2.67Å; H21-E229 PolarHBondContact CD2-OE1 3.28Å; H21-E229 IonicContact CD2-OE2 3.84Å; H21-E229 VanDerWaalsContact NE2-CD 3.26Å; H21-E229 IonicContact NE2-OE1 3.19Å; H21-E229 PolarHBondContact NE2-OE1 3.06Å; H21-E229 IonicContact NE2-OE2 2.7Å; H21-E229 PolarHBondContact NE2-OE2 3.28Å; C225-E229 WeakPolarHBondContact O-CG 3.44Å; C225-E229 PolarHBondContact O-N 3.23Å; E229-G231 PolarHBondContact O-N 2.84Å
230K90.5Very high85.7Confident173 Ų17369.2 Ų69.275%0.75235%0.354SS*.THydrogen-bonded Turntrans-70.7-5.2174.4-73.5170.4-175.5175.50114.1D226 Q227 V228D226-K230 VanDerWaalsContact O-CG 3.25Å; D226-K230 WeakPolarHBondContact O-CG 3.11Å; D226-K230 PolarHBondContact O-N 3.26Å; D226-K230 VanDerWaalsContact O-N 3.1Å; Q227-K230 PolarHBondContact O-N 3.04Å; V228-K230 VanDerWaalsContact C-N 3.31Å; V228-K230 PolarHBondContact O-N 2.89Å
231G83Confident85.1Confident28 Ų2869.8 Ų69.829%0.28936%0.359SS..THydrogen-bonded Turntrans85.228.2175.300000114.9V228 E229 Y233 V234V228-G231 PolarHBondContact O-N 3.05Å; V228-G231 VanDerWaalsContact O-N 3.09Å; E229-G231 PolarHBondContact O-N 2.84Å; G231-Y233 PolarHBondContact O-N 2.88Å; G231-V234 WeakPolarHBondContact O-CG2 3Å; G231-V234 PolarHBondContact O-N 3.31Å
232M80.7Confident84.2Confident111 Ų11174.5 Ų74.555%0.54738%0.383SS..THydrogen-bonded Turntrans-55.6-20.5175.4-82.3-16972.800114.4Q227Q227-M232 HydrophobicContact CB-CG 4.26Å; Q227-M232 HydrophobicContact CB-SD 3.44Å; Q227-M232 WeakPolarHBondContact CB-SD 3.39Å; Q227-M232 HydrophobicContact CG-SD 3.52Å; Q227-M232 VanDerWaalsContact CG-SD 3.52Å; Q227-M232 WeakPolarHBondContact O-CB 3.38Å; Q227-M232 WeakPolarHBondContact O-CG 3.36Å; Q227-M232 PolarHBondContact O-N 3Å
233Y75.9Confident83.4Confident38 Ų3872.4 Ų72.415%0.14938%0.378CS..THydrogen-bonded Turntrans-112.221.8-176-54.9-79.1000113.4A184 E187 A188 V228 G231 I235A184-Y233 WeakPolarHBondContact CB-O 3.45Å; E187-Y233 HydrophobicContact CB-CD1 3.9Å; E187-Y233 HydrophobicContact CB-CE1 3.62Å; A188-Y233 WeakPolarHBondContact CA-OH 3.49Å; A188-Y233 HydrophobicContact CB-CE2 3.88Å; V228-Y233 HydrophobicContact CG2-CD2 4.14Å; V228-Y233 HydrophobicContact CG2-CE2 3.69Å; G231-Y233 PolarHBondContact O-N 2.88Å; Y233-I235 PolarHBondContact O-N 3.07Å
234V70.2Confident82.4Confident85 Ų8573.5 Ų73.552%0.51538%0.379SS..  trans-69.6111.8168.6-179.20000107.3P182 G231 N236P182-V234 HydrophobicContact CG-CG2 4.21Å; G231-V234 WeakPolarHBondContact O-CG2 3Å; G231-V234 PolarHBondContact O-N 3.31Å; V234-N236 PolarHBondContact O-N 2.84Å
235I61.7Low81.3Confident144 Ų14479.5 Ų79.574%0.73841%0.411SS*.  trans-77.6114.2168.2-56.4173.2000105.5A184 Y233A184-I235 HydrophobicContact CB-CD1 3.89Å; A184-I235 HydrophobicContact CB-CG1 4.05Å; Y233-I235 PolarHBondContact O-N 3.07Å
236N46.8Very low80Confident216 Ų21686.7 Ų86.7100%1.15545%0.448SS*.  trans-66.40171-72.7-19.5000111.1V234V234-N236 PolarHBondContact O-N 2.84Å

Retrieved 236 of 236 residues in 170 ms (Link to these results)

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