A0A3Q0KSX3_SCHMA Loading...

CASPASE_P10 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 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
1M85.6Confident88.5Confident117 Ų11748.6 Ų48.658%0.57628%0.283SS*.  0122.60-179.5-176.8-69.200106.1V179 V181 L201 Y202M1-V179 CarbonylContact C-O 3.56Å; M1-V179 WeakPolarHBondContact CA-O 3.36Å; M1-V179 HydrophobicContact CG-CB 4.38Å; M1-V181 HydrophobicContact CG-CG2 3.86Å; M1-V181 HydrophobicContact SD-CG2 3.81Å; M1-L201 HydrophobicContact CE-CD1 3.5Å; M1-Y202 HydrophobicContact CE-CE2 4.09Å
2D91.2Very high87.7Confident52 Ų5249.8 Ų49.828%0.27828%0.283SS..EExtended strand (participates in β ladder)trans-95.6141.1172.6-170.312.1000108.1N140 V179 H180 V181D2-N140 PolarHBondContact OD2-ND2 3.1Å; D2-V179 PolarHBondContact N-O 3.3Å; D2-H180 WeakPolarHBondContact CB-ND1 3.41Å; D2-H180 CarbonylContact O-C 3.57Å; D2-H180 WeakPolarHBondContact O-CA 3.34Å; D2-H180 IonicContact OD2-ND1 3.88Å; D2-H180 PolarHBondContact OD2-ND1 3.32Å; D2-V181 PolarHBondContact O-N 2.75Å
3F91.6Very high87.2Confident65 Ų6546.5 Ų46.529%0.28526%0.264SS..EExtended strand (participates in β ladder)trans-138.5132-169.2-178.1-86.5000110.9C5 V181 K183 H192 L197F3-C5 HydrophobicContact CE1-CB 3.86Å; F3-C5 HydrophobicContact CZ-CB 4.31Å; F3-V181 WeakPolarHBondContact CA-O 3.43Å; F3-V181 HydrophobicContact CD2-CB 3.72Å; F3-V181 HydrophobicContact CD2-CG1 3.72Å; F3-V181 HydrophobicContact CE2-CB 4.29Å; F3-V181 HydrophobicContact CE2-CG1 3.76Å; F3-K183 HydrophobicContact CE1-CB 4.49Å; F3-K183 HydrophobicContact CE2-CB 3.85Å; F3-K183 HydrophobicContact CZ-CB 3.49Å; F3-K183 VanDerWaalsContact CZ-CB 3.49Å; F3-K183 HydrophobicContact CZ-CD 4.01Å; F3-K183 HydrophobicContact CZ-CG 4.33Å; F3-H192 AromaticContact CD2-NE2 3.78Å; F3-H192 AromaticContact CE1-CD2 3.62Å; F3-H192 AromaticContact CE1-NE2 3.94Å; F3-H192 AromaticContact CE2-CD2 3.49Å; F3-H192 VanDerWaalsContact CE2-CD2 3.49Å; F3-H192 WeakPolarHBondContact CE2-CD2 3.44Å; F3-H192 AromaticContact CE2-NE2 3.42Å; F3-H192 WeakPolarHBondContact CE2-NE2 3.26Å; F3-H192 AromaticContact CZ-CD2 3.12Å; F3-H192 WeakPolarHBondContact CZ-CD2 3.5Å; F3-H192 AromaticContact CZ-NE2 3.52Å; F3-L197 HydrophobicContact CD2-CD1 4.13Å; F3-L197 HydrophobicContact CE2-CD1 3.86Å
4C92.7Very high87.1Confident12 Ų1246.4 Ų46.48%0.08127%0.268CS..EExtended strand (participates in β ladder)trans-132.5133.2175.2-178.80000109.3F137 V181 L182 K183C4-F137 HydrophobicContact CB-CB 3.76Å; C4-F137 HydrophobicContact CB-CD1 3.54Å; C4-F137 HydrophobicContact CB-CD2 3.48Å; C4-F137 VanDerWaalsContact CB-CD2 3.48Å; C4-F137 HydrophobicContact CB-CE1 3.92Å; C4-F137 HydrophobicContact CB-CE2 3.86Å; C4-F137 HydrophobicContact CB-CG 3.3Å; C4-F137 HydrophobicContact CB-CZ 4.07Å; C4-V181 PolarHBondContact N-O 2.77Å; C4-L182 HydrophobicContact CB-CD1 4.33Å; C4-L182 CarbonylContact O-C 3.58Å; C4-L182 WeakPolarHBondContact O-CA 3.46Å; C4-K183 PolarHBondContact O-N 3.15Å
5C92.1Very high87.2Confident59 Ų5945.9 Ų45.940%0.39926%0.264SS..EExtended strand (participates in β ladder)trans-113.1125.9173.1-170.70000108.1F3 K183 V185F3-C5 HydrophobicContact CE1-CB 3.86Å; F3-C5 HydrophobicContact CZ-CB 4.31Å; C5-K183 CarbonylContact C-O 3.23Å; C5-K183 WeakPolarHBondContact CA-O 3.46Å; C5-V185 VanDerWaalsContact SG-CG1 3.54Å
6L92.1Very high87.4Confident15 Ų1547.1 Ų47.18%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-132132.6178.4-69.7176.3000111F128 L132 V135 L182 K183 I184 V185L6-F128 HydrophobicContact CB-CD2 4.17Å; L6-F128 HydrophobicContact CB-CE2 3.86Å; L6-F128 HydrophobicContact CD1-CE2 4.38Å; L6-L132 HydrophobicContact CD1-CB 3.81Å; L6-L132 HydrophobicContact CD1-CD1 3.77Å; L6-L132 HydrophobicContact CD1-CG 4.39Å; L6-V135 HydrophobicContact CD2-CG1 4.37Å; L6-L182 HydrophobicContact CB-CD1 4.45Å; L6-L182 HydrophobicContact CD1-CD1 3.99Å; L6-L182 HydrophobicContact CG-CD1 4.27Å; L6-K183 PolarHBondContact N-O 2.96Å; L6-I184 WeakPolarHBondContact O-CA 3.49Å; L6-V185 PolarHBondContact O-N 3.36Å
7P90.8Very high87.6Confident64 Ų6446.2 Ų46.242%0.41626%0.262SS..EExtended strand (participates in β ladder)trans-69.2144.217031.1-33.9000110V185P7-V185 CarbonylContact C-O 3.44Å; P7-V185 WeakPolarHBondContact CA-O 3.31Å; P7-V185 HydrophobicContact CB-CG2 4.39Å
8V89.5Confident87.8Confident5 Ų544.2 Ų44.23%0.0325%0.249CC..  trans-85.1-13.3-178.872.10000113.5V10 F13 L21 F110 F125 I184 V185V8-V10 HydrophobicContact CG1-CB 4.46Å; V8-V10 HydrophobicContact CG1-CG2 3.54Å; V8-V10 VanDerWaalsContact CG1-O 3.24Å; V8-V10 WeakPolarHBondContact CG1-O 3.35Å; V8-F13 HydrophobicContact CB-CE1 4.42Å; V8-F13 HydrophobicContact CG1-CD1 4.34Å; V8-F13 HydrophobicContact CG1-CE1 3.96Å; V8-F13 HydrophobicContact CG2-CE1 4Å; V8-F13 HydrophobicContact CG2-CZ 4.4Å; V8-L21 HydrophobicContact CG2-CD2 4.14Å; V8-F110 HydrophobicContact CB-CZ 4.41Å; V8-F110 HydrophobicContact CG1-CE1 4.16Å; V8-F110 HydrophobicContact CG1-CZ 3.76Å; V8-F125 HydrophobicContact CG2-CD1 3.46Å; V8-F125 VanDerWaalsContact CG2-CD1 3.46Å; V8-F125 HydrophobicContact CG2-CE1 3.42Å; V8-F125 VanDerWaalsContact CG2-CE1 3.42Å; V8-I184 HydrophobicContact CB-CG2 3.83Å; V8-I184 HydrophobicContact CG2-CG2 4.08Å; V8-V185 PolarHBondContact N-O 3.14Å
9G85Confident88.1Confident33 Ų3342.2 Ų42.234%0.3424%0.238SC..SBendtrans89.16.1-174.600000114.1D187G9-D187 VanDerWaalsContact C-CG 3.46Å; G9-D187 VanDerWaalsContact C-OD1 3.31Å; G9-D187 WeakPolarHBondContact CA-OD1 3.33Å; G9-D187 WeakPolarHBondContact CA-OD2 3.42Å; G9-D187 PolarHBondContact N-OD1 3.16Å
10V83.4Confident88.3Confident31 Ų3144.2 Ų44.219%0.18825%0.248CC..SBendtrans-146149.9177.4-65.40000111.8V8 F13 V123 P186 D187V8-V10 HydrophobicContact CG1-CB 4.46Å; V8-V10 HydrophobicContact CG1-CG2 3.54Å; V8-V10 VanDerWaalsContact CG1-O 3.24Å; V8-V10 WeakPolarHBondContact CG1-O 3.35Å; V10-F13 HydrophobicContact CG2-CB 4.28Å; V10-F13 HydrophobicContact CG2-CD1 3.7Å; V10-F13 HydrophobicContact CG2-CE1 4.49Å; V10-F13 HydrophobicContact CG2-CG 4.41Å; V10-V123 HydrophobicContact CG1-CG1 4.05Å; V10-V123 HydrophobicContact CG1-CG2 3.93Å; V10-V123 HydrophobicContact CG2-CG1 4.27Å; V10-V123 HydrophobicContact CG2-CG2 4.36Å; V10-P186 WeakPolarHBondContact O-CA 3.2Å; V10-D187 PolarHBondContact N-OD1 3.01Å; V10-D187 PolarHBondContact N-OD2 3.02Å
11N79.7Confident88.5Confident82 Ų8242.1 Ų42.144%0.43924%0.237SC..SBendtrans-72.5-36.6175.7-70.3-33.4000112.8
12H78.8Confident89Confident62 Ų6236.7 Ų36.729%0.28721%0.21SC..  trans-147.9149.1-177.8-60.4-49.8000109.9K113H12-K113 VanDerWaalsContact CE1-CB 3.5Å; H12-K113 WeakPolarHBondContact CE1-CB 3.38Å; H12-K113 PolarHBondContact CE1-O 2.63Å; H12-K113 VanDerWaalsContact CG-O 3.26Å; H12-K113 PolarHBondContact ND1-O 2.85Å
13F81.3Confident89.2Confident7 Ų734.6 Ų34.63%0.03120%0.199CC..  trans-146154.5168.156.4-84.7000110.5V8 V10 E17 R18 L21 F110 V123 F125V8-F13 HydrophobicContact CB-CE1 4.42Å; V8-F13 HydrophobicContact CG1-CD1 4.34Å; V8-F13 HydrophobicContact CG1-CE1 3.96Å; V8-F13 HydrophobicContact CG2-CE1 4Å; V8-F13 HydrophobicContact CG2-CZ 4.4Å; V10-F13 HydrophobicContact CG2-CB 4.28Å; V10-F13 HydrophobicContact CG2-CD1 3.7Å; V10-F13 HydrophobicContact CG2-CE1 4.49Å; V10-F13 HydrophobicContact CG2-CG 4.41Å; F13-E17 HydrophobicContact CB-CB 3.91Å; F13-E17 WeakPolarHBondContact CB-OE2 3.32Å; F13-E17 HydrophobicContact CD2-CB 3.58Å; F13-E17 HydrophobicContact CG-CB 4.22Å; F13-R18 HydrophobicContact CD2-CB 4.29Å; F13-R18 HydrophobicContact CD2-CG 3.47Å; F13-R18 VanDerWaalsContact CD2-CG 3.47Å; F13-R18 VanDerWaalsContact CE2-CA 3.45Å; F13-R18 HydrophobicContact CE2-CB 3.9Å; F13-R18 HydrophobicContact CE2-CG 3.21Å; F13-R18 HydrophobicContact CG-CG 4.48Å; F13-R18 HydrophobicContact CZ-CG 3.95Å; F13-R18 PolarHBondContact O-NE 2.87Å; F13-L21 HydrophobicContact CE2-CD2 4.05Å; F13-L21 HydrophobicContact CZ-CD2 3.74Å; F13-F110 HydrophobicContact CD1-CD1 4.02Å; F13-F110 AromaticContact CD1-CE1 3.7Å; F13-F110 HydrophobicContact CD1-CE1 3.7Å; F13-F110 HydrophobicContact CD1-CZ 4.2Å; F13-F110 AromaticContact CE1-CD1 3.7Å; F13-F110 HydrophobicContact CE1-CD1 3.7Å; F13-F110 HydrophobicContact CE1-CD2 4.16Å; F13-F110 AromaticContact CE1-CE1 3.26Å; F13-F110 HydrophobicContact CE1-CE1 3.26Å; F13-F110 AromaticContact CE1-CE2 3.77Å; F13-F110 HydrophobicContact CE1-CE2 3.77Å; F13-F110 HydrophobicContact CE1-CG 4.15Å; F13-F110 AromaticContact CE1-CZ 3.33Å; F13-F110 HydrophobicContact CE1-CZ 3.33Å; F13-F110 HydrophobicContact CZ-CD1 4.48Å; F13-F110 HydrophobicContact CZ-CD2 4.31Å; F13-F110 HydrophobicContact CZ-CE1 4.28Å; F13-F110 HydrophobicContact CZ-CE2 4.09Å; F13-F110 HydrophobicContact CZ-CZ 4.11Å; F13-V123 HydrophobicContact CB-CG2 4.37Å; F13-F125 HydrophobicContact CD1-CE1 4.47Å; F13-F125 HydrophobicContact CD2-CE1 4.32Å; F13-F125 AromaticContact CD2-CZ 3.85Å; F13-F125 HydrophobicContact CD2-CZ 3.85Å; F13-F125 HydrophobicContact CE1-CE1 4.41Å; F13-F125 HydrophobicContact CE2-CE1 4.15Å; F13-F125 AromaticContact CE2-CZ 3.87Å; F13-F125 HydrophobicContact CE2-CZ 3.87Å; F13-F125 HydrophobicContact CG-CE1 4.44Å; F13-F125 HydrophobicContact CG-CZ 4.26Å; F13-F125 HydrophobicContact CZ-CE1 4.28Å; F13-F125 HydrophobicContact CZ-CZ 4.45Å
14S85.6Confident89.4Confident46 Ų4636.2 Ų36.232%0.32220%0.203SC..  trans-63164.4-175.165.20000112.5D16 E17 R18S14-D16 PolarHBondContact O-N 3.42Å; S14-E17 WeakPolarHBondContact CB-OE2 3.49Å; S14-E17 PolarHBondContact N-OE2 3.08Å; S14-E17 PolarHBondContact O-N 2.69Å; S14-E17 WeakPolarHBondContact OG-CB 3.44Å; S14-E17 VanDerWaalsContact OG-CD 3.31Å; S14-E17 VanDerWaalsContact OG-CG 3.25Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 3.37Å; S14-E17 PolarHBondContact OG-OE2 3.02Å; S14-R18 WeakPolarHBondContact O-CG 3.38Å; S14-R18 PolarHBondContact O-N 2.76Å
15L89.3Confident89.6Confident39 Ų3935.6 Ų35.620%0.20420%0.2CC..Hα-helixtrans-60.2-35.4175-69.4-177.6000112.8R18 C19 K81 E83L15-R18 WeakPolarHBondContact O-CB 3.06Å; L15-R18 PolarHBondContact O-N 3.4Å; L15-C19 PolarHBondContact O-N 2.94Å; L15-C19 PolarHBondContact O-SG 3.07Å; L15-K81 HydrophobicContact CB-CB 4.43Å; L15-K81 HydrophobicContact CB-CD 4.1Å; L15-K81 HydrophobicContact CB-CG 4.32Å; L15-E83 HydrophobicContact CD1-CG 4.14Å; L15-E83 HydrophobicContact CD2-CB 4.38Å; L15-E83 HydrophobicContact CD2-CG 3.75Å; L15-E83 HydrophobicContact CG-CG 4.28Å
16D90.4Very high89.8Confident65 Ų6532.9 Ų32.935%0.34818%0.181SC..Hα-helixtrans-64.8-45176-71.9-55.6000111S14 R18 C19 N20 K81S14-D16 PolarHBondContact O-N 3.42Å; D16-R18 VanDerWaalsContact C-N 3.3Å; D16-R18 PolarHBondContact O-N 3.17Å; D16-C19 PolarHBondContact O-N 3.25Å; D16-N20 WeakPolarHBondContact O-CB 3.3Å; D16-N20 PolarHBondContact O-N 3.12Å; D16-N20 PolarHBondContact O-ND2 3.49Å; D16-K81 VanDerWaalsContact OD1-CD 3.32Å; D16-K81 WeakPolarHBondContact OD1-CD 3.43Å; D16-K81 IonicContact OD1-NZ 3.59Å; D16-K81 PolarHBondContact OD1-NZ 2.86Å; D16-K81 IonicContact OD2-NZ 3.06Å; D16-K81 PolarHBondContact OD2-NZ 2.8Å
17E90Very high90Very high31 Ų3133.6 Ų33.615%0.14518%0.184CC..Hα-helixtrans-64-33.9176-71.8166.2136.400112.3F13 S14 N20 L21 V123 F125F13-E17 HydrophobicContact CB-CB 3.91Å; F13-E17 WeakPolarHBondContact CB-OE2 3.32Å; F13-E17 HydrophobicContact CD2-CB 3.58Å; F13-E17 HydrophobicContact CG-CB 4.22Å; S14-E17 WeakPolarHBondContact CB-OE2 3.49Å; S14-E17 PolarHBondContact N-OE2 3.08Å; S14-E17 PolarHBondContact O-N 2.69Å; S14-E17 WeakPolarHBondContact OG-CB 3.44Å; S14-E17 VanDerWaalsContact OG-CD 3.31Å; S14-E17 VanDerWaalsContact OG-CG 3.25Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 3.37Å; S14-E17 PolarHBondContact OG-OE2 3.02Å; E17-N20 PolarHBondContact O-N 3.46Å; E17-L21 VanDerWaalsContact O-CB 3.31Å; E17-L21 WeakPolarHBondContact O-CB 3.37Å; E17-L21 PolarHBondContact O-N 2.83Å; E17-V123 WeakPolarHBondContact OE1-CG2 3.28Å; E17-V123 PolarHBondContact OE1-N 3.14Å; E17-F125 HydrophobicContact CB-CE2 4.29Å; E17-F125 HydrophobicContact CB-CZ 4.05Å
18R90.8Very high90.2Very high10 Ų1031.8 Ų31.84%0.03817%0.17CC..Hα-helixtrans-61.3-49.8171-67.6175.8-155.5-163.21.8112.7F13 S14 L15 D16 N20 L21 I22 F110F13-R18 HydrophobicContact CD2-CB 4.29Å; F13-R18 HydrophobicContact CD2-CG 3.47Å; F13-R18 VanDerWaalsContact CD2-CG 3.47Å; F13-R18 VanDerWaalsContact CE2-CA 3.45Å; F13-R18 HydrophobicContact CE2-CB 3.9Å; F13-R18 HydrophobicContact CE2-CG 3.21Å; F13-R18 HydrophobicContact CG-CG 4.48Å; F13-R18 HydrophobicContact CZ-CG 3.95Å; F13-R18 PolarHBondContact O-NE 2.87Å; S14-R18 WeakPolarHBondContact O-CG 3.38Å; S14-R18 PolarHBondContact O-N 2.76Å; L15-R18 WeakPolarHBondContact O-CB 3.06Å; L15-R18 PolarHBondContact O-N 3.4Å; D16-R18 VanDerWaalsContact C-N 3.3Å; D16-R18 PolarHBondContact O-N 3.17Å; R18-N20 VanDerWaalsContact C-N 3.34Å; R18-L21 PolarHBondContact O-N 2.91Å; R18-I22 WeakPolarHBondContact O-CG1 3.47Å; R18-I22 PolarHBondContact O-N 2.99Å; R18-I22 VanDerWaalsContact O-N 3.07Å; R18-F110 VanDerWaalsContact CZ-CB 3.47Å; R18-F110 PolarHBondContact NH1-O 2.8Å; R18-F110 VanDerWaalsContact NH1-O 3.11Å; R18-F110 PolarHBondContact NH2-O 3.46Å
19C93.2Very high90.5Very high6 Ų631.6 Ų31.64%0.04117%0.169CC..Hα-helixtrans-62.8-45.6177.1-62.80000110.2L15 D16 L21 I22 C23 L77 L78 K81L15-C19 PolarHBondContact O-N 2.94Å; L15-C19 PolarHBondContact O-SG 3.07Å; D16-C19 PolarHBondContact O-N 3.25Å; C19-L21 PolarHBondContact O-N 3.19Å; C19-I22 PolarHBondContact O-N 3.34Å; C19-C23 WeakPolarHBondContact O-CB 3.28Å; C19-C23 PolarHBondContact O-N 2.86Å; C19-C23 PolarHBondContact O-SG 3.05Å; C19-L77 HydrophobicContact CB-CD2 4.34Å; C19-L77 HydrophobicContact CB-CG 4.27Å; C19-L78 HydrophobicContact CB-CD2 3.48Å; C19-L78 VanDerWaalsContact CB-CD2 3.48Å; C19-L78 HydrophobicContact CB-CG 4.15Å; C19-K81 VanDerWaalsContact SG-CB 3.52Å
20N92Very high91.1Very high82 Ų8230 Ų3044%0.43915%0.153SC..Hα-helixtrans-60.7-41.2179.1-71-24.3000112.8D16 E17 R18 C23 R24D16-N20 WeakPolarHBondContact O-CB 3.3Å; D16-N20 PolarHBondContact O-N 3.12Å; D16-N20 PolarHBondContact O-ND2 3.49Å; E17-N20 PolarHBondContact O-N 3.46Å; R18-N20 VanDerWaalsContact C-N 3.34Å; N20-C23 PolarHBondContact O-N 2.86Å; N20-R24 WeakPolarHBondContact O-CB 3.41Å; N20-R24 PolarHBondContact O-N 2.78Å
21L93.9Very high91.7Very high1 Ų132.4 Ų32.41%0.00516%0.159CC..Hα-helixtrans-61.1-48.7174.6178.758.6000111.3V8 F13 E17 R18 C19 R24 I25 F125 F128 F129 I184V8-L21 HydrophobicContact CG2-CD2 4.14Å; F13-L21 HydrophobicContact CE2-CD2 4.05Å; F13-L21 HydrophobicContact CZ-CD2 3.74Å; E17-L21 VanDerWaalsContact O-CB 3.31Å; E17-L21 WeakPolarHBondContact O-CB 3.37Å; E17-L21 PolarHBondContact O-N 2.83Å; R18-L21 PolarHBondContact O-N 2.91Å; C19-L21 PolarHBondContact O-N 3.19Å; L21-R24 PolarHBondContact O-N 2.84Å; L21-I25 HydrophobicContact CD1-CD1 4.08Å; L21-I25 HydrophobicContact CD1-CG1 4.39Å; L21-I25 HydrophobicContact CG-CD1 4.05Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 3.5Å; L21-F125 HydrophobicContact CB-CD2 4.37Å; L21-F125 HydrophobicContact CB-CE1 4.37Å; L21-F125 HydrophobicContact CB-CE2 3.97Å; L21-F125 HydrophobicContact CB-CZ 3.96Å; L21-F125 HydrophobicContact CD1-CB 4.24Å; L21-F125 HydrophobicContact CD1-CD1 3.95Å; L21-F125 HydrophobicContact CD1-CD2 4.22Å; L21-F125 HydrophobicContact CD1-CE1 4.33Å; L21-F125 HydrophobicContact CD1-CG 3.88Å; L21-F125 HydrophobicContact CD2-CD1 4.19Å; L21-F125 HydrophobicContact CD2-CE1 3.86Å; L21-F125 HydrophobicContact CD2-CZ 4.23Å; L21-F125 HydrophobicContact CG-CE1 4.42Å; L21-F128 HydrophobicContact CD1-CD1 3.99Å; L21-F128 HydrophobicContact CD1-CE1 3.86Å; L21-F129 HydrophobicContact CD1-CE2 3.99Å; L21-F129 HydrophobicContact CD1-CZ 3.77Å; L21-I184 HydrophobicContact CD2-CD1 3.94Å; L21-I184 HydrophobicContact CD2-CG2 4.24Å; L21-I184 HydrophobicContact CG-CD1 4.42Å
22I95.6Very high92.4Very high4 Ų432.2 Ų32.22%0.02115%0.154CC..Hα-helixtrans-59-48.7176.7-72.1167.3000110.9R18 C19 R24 I25 M26 L77 F88 I107R18-I22 WeakPolarHBondContact O-CG1 3.47Å; R18-I22 PolarHBondContact O-N 2.99Å; R18-I22 VanDerWaalsContact O-N 3.07Å; C19-I22 PolarHBondContact O-N 3.34Å; I22-R24 VanDerWaalsContact C-N 3.31Å; I22-R24 PolarHBondContact O-N 3.31Å; I22-I25 PolarHBondContact O-N 3.36Å; I22-M26 WeakPolarHBondContact O-CB 3.43Å; I22-M26 PolarHBondContact O-N 3.43Å; I22-L77 HydrophobicContact CB-CD2 4.12Å; I22-L77 HydrophobicContact CG2-CD2 3.66Å; I22-F88 HydrophobicContact CD1-CB 4.35Å; I22-F88 HydrophobicContact CG2-CB 4.18Å; I22-F88 HydrophobicContact CG2-CD1 3.88Å; I22-F88 HydrophobicContact CG2-CD2 3.33Å; I22-F88 HydrophobicContact CG2-CE1 3.95Å; I22-F88 HydrophobicContact CG2-CE2 3.45Å; I22-F88 VanDerWaalsContact CG2-CE2 3.45Å; I22-F88 HydrophobicContact CG2-CG 3.54Å; I22-F88 HydrophobicContact CG2-CZ 3.74Å; I22-I107 HydrophobicContact CD1-CD1 3.89Å
23C95.4Very high93.2Very high8 Ų829.3 Ų29.35%0.05414%0.141CC..Hα-helixtrans-58.7-44178.9-640000111C19 N20 M26 K27 E74C19-C23 WeakPolarHBondContact O-CB 3.28Å; C19-C23 PolarHBondContact O-N 2.86Å; C19-C23 PolarHBondContact O-SG 3.05Å; N20-C23 PolarHBondContact O-N 2.86Å; C23-M26 WeakPolarHBondContact O-CB 3.26Å; C23-M26 PolarHBondContact O-N 3.32Å; C23-K27 WeakPolarHBondContact O-CG 3.29Å; C23-K27 PolarHBondContact O-N 2.96Å; C23-E74 HydrophobicContact CB-CG 3.96Å
24R95Very high93.8Very high98 Ų9829.8 Ų29.837%0.3715%0.148SC..Hα-helixtrans-64.7-42.3177.6-171.6166.7173.5-169.40.7112.2N20 L21 I22 M26 K27 L28 S124 F129N20-R24 WeakPolarHBondContact O-CB 3.41Å; N20-R24 PolarHBondContact O-N 2.78Å; L21-R24 PolarHBondContact O-N 2.84Å; I22-R24 VanDerWaalsContact C-N 3.31Å; I22-R24 PolarHBondContact O-N 3.31Å; R24-M26 VanDerWaalsContact C-N 3.33Å; R24-M26 PolarHBondContact O-N 3.29Å; R24-K27 PolarHBondContact O-N 3.13Å; R24-L28 HydrophobicContact CG-CD1 4.36Å; R24-L28 VanDerWaalsContact O-CG 3.3Å; R24-L28 WeakPolarHBondContact O-CG 3.17Å; R24-L28 PolarHBondContact O-N 3.28Å; R24-S124 PolarHBondContact NH1-O 3.4Å; R24-S124 VanDerWaalsContact NH1-O 3.15Å; R24-F129 HydrophobicContact CB-CE2 4.39Å; R24-F129 HydrophobicContact CB-CZ 3.91Å; R24-F129 HydrophobicContact CG-CE1 4.31Å; R24-F129 HydrophobicContact CG-CE2 3.83Å; R24-F129 HydrophobicContact CG-CZ 3.56Å
25I96.7Very high94.3Very high0 Ų027.6 Ų27.60%013%0.133CC..Hα-helixtrans-61.2-43.5173.8-66.3164.9000110.5L21 I22 L28 F29 F103 I105 F128 F129 L182 I184L21-I25 HydrophobicContact CD1-CD1 4.08Å; L21-I25 HydrophobicContact CD1-CG1 4.39Å; L21-I25 HydrophobicContact CG-CD1 4.05Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 3.5Å; I22-I25 PolarHBondContact O-N 3.36Å; I25-L28 PolarHBondContact O-N 3.18Å; I25-F29 WeakPolarHBondContact O-CB 3.33Å; I25-F29 PolarHBondContact O-N 3.08Å; I25-F103 HydrophobicContact CG2-CE1 3.65Å; I25-F103 HydrophobicContact CG2-CZ 4.01Å; I25-I105 HydrophobicContact CB-CD1 3.98Å; I25-I105 HydrophobicContact CD1-CD1 4.17Å; I25-I105 HydrophobicContact CD1-CG2 4.28Å; I25-I105 HydrophobicContact CG2-CD1 3.47Å; I25-I105 VanDerWaalsContact CG2-CD1 3.47Å; I25-I105 HydrophobicContact CG2-CG1 4.26Å; I25-F128 HydrophobicContact CD1-CE1 4.14Å; I25-F128 HydrophobicContact CD1-CZ 4.34Å; I25-F128 HydrophobicContact CG1-CE1 4.45Å; I25-F129 HydrophobicContact CG1-CE1 3.76Å; I25-F129 HydrophobicContact CG1-CZ 3.96Å; I25-L182 HydrophobicContact CD1-CD2 4.48Å; I25-I184 HydrophobicContact CD1-CD1 3.71Å
26M96.9Very high94.6Very high2 Ų225.8 Ų25.81%0.0112%0.123CC..Hα-helixtrans-60.5-47.3177.6-178.9-176.666.800111.8I22 C23 R24 F29 M30 I70 V73 E74 F88 I90 I152 F217I22-M26 WeakPolarHBondContact O-CB 3.43Å; I22-M26 PolarHBondContact O-N 3.43Å; C23-M26 WeakPolarHBondContact O-CB 3.26Å; C23-M26 PolarHBondContact O-N 3.32Å; R24-M26 VanDerWaalsContact C-N 3.33Å; R24-M26 PolarHBondContact O-N 3.29Å; M26-F29 WeakPolarHBondContact O-CB 3.4Å; M26-F29 PolarHBondContact O-N 3.38Å; M26-M30 WeakPolarHBondContact O-CG 3.33Å; M26-M30 PolarHBondContact O-N 3.44Å; M26-I70 HydrophobicContact CE-CG2 3.94Å; M26-V73 HydrophobicContact CE-CG1 4.2Å; M26-V73 HydrophobicContact SD-CG1 3.99Å; M26-E74 HydrophobicContact CE-CG 3.78Å; M26-E74 WeakPolarHBondContact CE-OE1 3.45Å; M26-F88 HydrophobicContact CB-CE1 4.44Å; M26-F88 HydrophobicContact SD-CZ 3.98Å; M26-I90 HydrophobicContact CB-CD1 4.35Å; M26-I90 HydrophobicContact CG-CD1 4.33Å; M26-I152 HydrophobicContact CG-CD1 4.34Å; M26-I152 HydrophobicContact SD-CD1 3.97Å; M26-I152 HydrophobicContact SD-CG1 4.24Å; M26-F217 HydrophobicContact CE-CE2 4.47Å; M26-F217 HydrophobicContact CE-CZ 4.45Å; M26-F217 HydrophobicContact CG-CE2 4.3Å; M26-F217 HydrophobicContact SD-CE2 3.68Å; M26-F217 HydrophobicContact SD-CZ 3.98Å
27K96Very high94.6Very high30 Ų3024.4 Ų24.413%0.1312%0.118CC..Hα-helixtrans-59-48.6176-71.2176.1-173.7-163.40112C23 R24 F29 M30 Y31 L42 N43 I70 E74C23-K27 WeakPolarHBondContact O-CG 3.29Å; C23-K27 PolarHBondContact O-N 2.96Å; R24-K27 PolarHBondContact O-N 3.13Å; K27-F29 VanDerWaalsContact C-N 3.26Å; K27-F29 PolarHBondContact O-N 2.81Å; K27-M30 PolarHBondContact O-N 3.44Å; K27-Y31 PolarHBondContact O-N 3.01Å; K27-L42 HydrophobicContact CB-CB 4.19Å; K27-L42 HydrophobicContact CB-CD1 4.3Å; K27-L42 HydrophobicContact CD-CB 4.18Å; K27-L42 WeakPolarHBondContact CD-O 3.49Å; K27-L42 VanDerWaalsContact CE-O 3.26Å; K27-L42 WeakPolarHBondContact CE-O 3.3Å; K27-L42 HydrophobicContact CG-CB 4.2Å; K27-L42 PolarHBondContact NZ-O 3.32Å; K27-L42 WeakPolarHBondContact O-CD1 3.45Å; K27-N43 WeakPolarHBondContact CD-OD1 3.34Å; K27-I70 HydrophobicContact CG-CG2 4.44Å; K27-E74 WeakPolarHBondContact CE-OE1 3.31Å; K27-E74 WeakPolarHBondContact CE-OE2 3.19Å; K27-E74 IonicContact NZ-OE1 2.69Å; K27-E74 IonicContact NZ-OE2 2.8Å; K27-E74 PolarHBondContact NZ-OE2 2.85Å
28L95.2Very high94.6Very high25 Ų2526 Ų2613%0.13113%0.127CC..Hα-helixtrans-60.9-38.6176.6-68173.6000111.2R24 I25 Y31 F32 L39 F129R24-L28 HydrophobicContact CG-CD1 4.36Å; R24-L28 VanDerWaalsContact O-CG 3.3Å; R24-L28 WeakPolarHBondContact O-CG 3.17Å; R24-L28 PolarHBondContact O-N 3.28Å; I25-L28 PolarHBondContact O-N 3.18Å; L28-Y31 PolarHBondContact O-N 2.9Å; L28-F32 HydrophobicContact CB-CD2 4.16Å; L28-F32 HydrophobicContact CB-CE2 4.32Å; L28-F32 HydrophobicContact CD2-CD2 4.49Å; L28-F32 HydrophobicContact CD2-CE2 3.91Å; L28-F32 VanDerWaalsContact O-CD2 3.28Å; L28-F32 WeakPolarHBondContact O-CD2 3.25Å; L28-F32 PolarHBondContact O-N 3.48Å; L28-L39 HydrophobicContact CD2-CD1 3.86Å; L28-L39 HydrophobicContact CD2-CD2 4.22Å; L28-F129 HydrophobicContact CD1-CD1 3.5Å; L28-F129 HydrophobicContact CD1-CE1 3.41Å; L28-F129 VanDerWaalsContact CD1-CE1 3.41Å; L28-F129 HydrophobicContact CD1-CG 4.37Å; L28-F129 HydrophobicContact CD1-CZ 4.22Å
29F96.7Very high94.5Very high1 Ų127.9 Ų27.90%0.00414%0.138CC..Hα-helixtrans-60.4-48.3174.8-174.1-89.5000111.4I25 M26 K27 Y31 T33 I90 I92 F103 V141 F142I25-F29 WeakPolarHBondContact O-CB 3.33Å; I25-F29 PolarHBondContact O-N 3.08Å; M26-F29 WeakPolarHBondContact O-CB 3.4Å; M26-F29 PolarHBondContact O-N 3.38Å; K27-F29 VanDerWaalsContact C-N 3.26Å; K27-F29 PolarHBondContact O-N 2.81Å; F29-Y31 VanDerWaalsContact C-N 3.31Å; F29-Y31 PolarHBondContact O-N 3.3Å; F29-T33 HydrophobicContact CD1-CG2 4.22Å; F29-T33 HydrophobicContact CD2-CG2 3.95Å; F29-T33 HydrophobicContact CE1-CG2 4.01Å; F29-T33 HydrophobicContact CE2-CG2 3.75Å; F29-T33 HydrophobicContact CG-CG2 4.2Å; F29-T33 HydrophobicContact CZ-CG2 3.79Å; F29-T33 VanDerWaalsContact O-CB 3.3Å; F29-T33 WeakPolarHBondContact O-CB 3.41Å; F29-T33 VanDerWaalsContact O-CG2 3.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.22Å; F29-T33 PolarHBondContact O-N 3.17Å; F29-T33 PolarHBondContact O-OG1 3.16Å; F29-I90 HydrophobicContact CB-CD1 4.18Å; F29-I90 HydrophobicContact CD1-CD1 4.13Å; F29-I90 HydrophobicContact CD1-CG2 3.83Å; F29-I90 HydrophobicContact CE1-CG2 3.54Å; F29-I90 HydrophobicContact CG-CD1 4.07Å; F29-I90 HydrophobicContact CZ-CG2 4.13Å; F29-I92 HydrophobicContact CE1-CB 4.42Å; F29-I92 HydrophobicContact CE1-CD1 4.13Å; F29-I92 HydrophobicContact CZ-CG2 4.2Å; F29-F103 AromaticContact CD2-CD1 3.45Å; F29-F103 HydrophobicContact CD2-CD1 3.45Å; F29-F103 VanDerWaalsContact CD2-CD1 3.45Å; F29-F103 HydrophobicContact CD2-CE1 4.02Å; F29-F103 HydrophobicContact CD2-CG 4.33Å; F29-F103 HydrophobicContact CE2-CB 3.92Å; F29-F103 AromaticContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CG 4.15Å; F29-F103 HydrophobicContact CG-CD1 4.25Å; F29-F103 HydrophobicContact CZ-CB 4.41Å; F29-V141 HydrophobicContact CE2-CG2 4.36Å; F29-F142 VanDerWaalsContact CA-CE1 3.44Å; F29-F142 HydrophobicContact CB-CD1 4.34Å; F29-F142 HydrophobicContact CB-CE1 3.83Å; F29-F142 HydrophobicContact CD2-CD1 4.01Å; F29-F142 AromaticContact CD2-CE1 3.92Å; F29-F142 HydrophobicContact CD2-CE1 3.92Å; F29-F142 HydrophobicContact CG-CE1 4.34Å
30M96.5Very high94.2Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-59.8-41.4177.6-66.5-56.2-71.900112.1M26 K27 Q35 F36 L66 I70 T150 F217M26-M30 WeakPolarHBondContact O-CG 3.33Å; M26-M30 PolarHBondContact O-N 3.44Å; K27-M30 PolarHBondContact O-N 3.44Å; M30-Q35 HydrophobicContact CE-CB 3.45Å; M30-Q35 VanDerWaalsContact CE-CB 3.45Å; M30-Q35 HydrophobicContact CE-CG 4.28Å; M30-Q35 CarbonylContact O-C 3.52Å; M30-Q35 WeakPolarHBondContact O-CA 3.39Å; M30-Q35 WeakPolarHBondContact O-CB 3.35Å; M30-Q35 PolarHBondContact O-N 3.41Å; M30-Q35 HydrophobicContact SD-CB 4.02Å; M30-Q35 HydrophobicContact SD-CG 4.39Å; M30-F36 HydrophobicContact CB-CB 4.25Å; M30-F36 PolarHBondContact O-N 3.18Å; M30-L66 HydrophobicContact CE-CD1 4.04Å; M30-L66 HydrophobicContact CE-CD2 4.13Å; M30-I70 HydrophobicContact CG-CD1 4.28Å; M30-T150 HydrophobicContact SD-CG2 4.2Å; M30-F217 HydrophobicContact CE-CB 3.92Å; M30-F217 HydrophobicContact CE-CD2 3.9Å; M30-F217 HydrophobicContact CE-CG 4.32Å; M30-F217 HydrophobicContact CG-CD2 4.5Å; M30-F217 HydrophobicContact SD-CD2 3.93Å
31Y95.5Very high93.9Very high82 Ų8228.3 Ų28.332%0.32215%0.146SC..Hα-helixtrans-68.2-61.3177.7177.2-111.1000112.8K27 L28 F29 T33 G34 L39K27-Y31 PolarHBondContact O-N 3.01Å; L28-Y31 PolarHBondContact O-N 2.9Å; F29-Y31 VanDerWaalsContact C-N 3.31Å; F29-Y31 PolarHBondContact O-N 3.3Å; Y31-T33 VanDerWaalsContact C-N 3.3Å; Y31-T33 PolarHBondContact O-N 3.43Å; Y31-G34 WeakPolarHBondContact O-CA 3.36Å; Y31-G34 PolarHBondContact O-N 3.23Å; Y31-L39 HydrophobicContact CD1-CB 3.92Å; Y31-L39 HydrophobicContact CD1-CD1 4.19Å; Y31-L39 HydrophobicContact CD1-CD2 4.05Å; Y31-L39 HydrophobicContact CD1-CG 4.27Å; Y31-L39 HydrophobicContact CD2-CB 3.7Å; Y31-L39 HydrophobicContact CE1-CB 3.98Å; Y31-L39 HydrophobicContact CE1-CD2 4.1Å; Y31-L39 HydrophobicContact CE2-CB 3.77Å; Y31-L39 HydrophobicContact CG-CB 3.77Å; Y31-L39 HydrophobicContact CG-CD1 4.07Å; Y31-L39 HydrophobicContact CG-CG 4.36Å
32F95Very high93.5Very high78 Ų7828.5 Ų28.534%0.34215%0.146SC..Hα-helixtrans-67-28.5-172.7-73.3-67.6000113.5L28 G34 F138 F142L28-F32 HydrophobicContact CB-CD2 4.16Å; L28-F32 HydrophobicContact CB-CE2 4.32Å; L28-F32 HydrophobicContact CD2-CD2 4.49Å; L28-F32 HydrophobicContact CD2-CE2 3.91Å; L28-F32 VanDerWaalsContact O-CD2 3.28Å; L28-F32 WeakPolarHBondContact O-CD2 3.25Å; L28-F32 PolarHBondContact O-N 3.48Å; F32-G34 PolarHBondContact O-N 3.38Å; F32-F138 HydrophobicContact CD1-CZ 4.16Å; F32-F138 HydrophobicContact CD2-CE2 4.34Å; F32-F138 AromaticContact CD2-CZ 3.72Å; F32-F138 HydrophobicContact CD2-CZ 3.72Å; F32-F138 HydrophobicContact CE1-CZ 4.22Å; F32-F138 HydrophobicContact CE2-CE2 4.38Å; F32-F138 AromaticContact CE2-CZ 3.78Å; F32-F138 HydrophobicContact CE2-CZ 3.78Å; F32-F138 AromaticContact CG-CZ 3.93Å; F32-F138 HydrophobicContact CG-CZ 3.93Å; F32-F138 HydrophobicContact CZ-CZ 4.04Å; F32-F142 CarbonylContact C-O 3.51Å; F32-F142 HydrophobicContact CB-CB 3.87Å; F32-F142 HydrophobicContact CB-CD1 3.84Å; F32-F142 HydrophobicContact CB-CG 4.18Å; F32-F142 HydrophobicContact CD2-CD1 4.33Å
33T95.8Very high92.7Very high0 Ų031.6 Ų31.60%016%0.163CC..THydrogen-bonded Turntrans-79.83.6174.263.80000113.7F29 Y31 Q35 S145F29-T33 HydrophobicContact CD1-CG2 4.22Å; F29-T33 HydrophobicContact CD2-CG2 3.95Å; F29-T33 HydrophobicContact CE1-CG2 4.01Å; F29-T33 HydrophobicContact CE2-CG2 3.75Å; F29-T33 HydrophobicContact CG-CG2 4.2Å; F29-T33 HydrophobicContact CZ-CG2 3.79Å; F29-T33 VanDerWaalsContact O-CB 3.3Å; F29-T33 WeakPolarHBondContact O-CB 3.41Å; F29-T33 VanDerWaalsContact O-CG2 3.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.22Å; F29-T33 PolarHBondContact O-N 3.17Å; F29-T33 PolarHBondContact O-OG1 3.16Å; Y31-T33 VanDerWaalsContact C-N 3.3Å; Y31-T33 PolarHBondContact O-N 3.43Å; T33-Q35 VanDerWaalsContact C-N 3.33Å; T33-Q35 PolarHBondContact O-N 2.93Å; T33-Q35 PolarHBondContact O-NE2 2.89Å; T33-Q35 WeakPolarHBondContact OG1-CG 3.43Å; T33-S145 PolarHBondContact O-N 3.32Å
34G95.1Very high91.1Very high18 Ų1833.3 Ų33.319%0.18617%0.174CC..THydrogen-bonded Turntrans73.419.6177.700000114.1Y31 F32 P147Y31-G34 WeakPolarHBondContact O-CA 3.36Å; Y31-G34 PolarHBondContact O-N 3.23Å; F32-G34 PolarHBondContact O-N 3.38Å; G34-P147 WeakPolarHBondContact O-CG 3.43Å
35Q96Very high89.3Confident0 Ų032.7 Ų32.70%018%0.183CC..SBendtrans-85.1-18.8177.8-55.5-55.2-65.400112.6M30 T33 L66 I92 S145 T146 T148 G219 V220M30-Q35 HydrophobicContact CE-CB 3.45Å; M30-Q35 VanDerWaalsContact CE-CB 3.45Å; M30-Q35 HydrophobicContact CE-CG 4.28Å; M30-Q35 CarbonylContact O-C 3.52Å; M30-Q35 WeakPolarHBondContact O-CA 3.39Å; M30-Q35 WeakPolarHBondContact O-CB 3.35Å; M30-Q35 PolarHBondContact O-N 3.41Å; M30-Q35 HydrophobicContact SD-CB 4.02Å; M30-Q35 HydrophobicContact SD-CG 4.39Å; T33-Q35 VanDerWaalsContact C-N 3.33Å; T33-Q35 PolarHBondContact O-N 2.93Å; T33-Q35 PolarHBondContact O-NE2 2.89Å; T33-Q35 WeakPolarHBondContact OG1-CG 3.43Å; Q35-L66 WeakPolarHBondContact O-CD2 3.24Å; Q35-I92 HydrophobicContact CG-CD1 3.66Å; Q35-S145 PolarHBondContact NE2-O 3.13Å; Q35-S145 PolarHBondContact NE2-OG 2.84Å; Q35-T146 PolarHBondContact NE2-O 3.37Å; Q35-T148 PolarHBondContact OE1-O 2.6Å; Q35-G219 CarbonylContact O-C 3.48Å; Q35-G219 WeakPolarHBondContact O-CA 3.38Å; Q35-V220 PolarHBondContact O-N 3.47Å
36F95Very high87.2Confident1 Ų142.1 Ų42.10%0.00423%0.227CC..SBendtrans-136.9132.7173.4-163.3-90000109.2M30 D38 L41 L42 E63 L66 L67M30-F36 HydrophobicContact CB-CB 4.25Å; M30-F36 PolarHBondContact O-N 3.18Å; F36-D38 WeakPolarHBondContact CD1-O 3.29Å; F36-D38 HydrophobicContact CE1-CB 4.24Å; F36-D38 WeakPolarHBondContact CE1-O 3.42Å; F36-L41 HydrophobicContact CE1-CB 3.93Å; F36-L41 HydrophobicContact CE1-CD1 3.99Å; F36-L41 HydrophobicContact CZ-CB 4.22Å; F36-L41 HydrophobicContact CZ-CD1 4.04Å; F36-L42 HydrophobicContact CB-CD1 4.2Å; F36-L42 HydrophobicContact CD1-CD1 3.84Å; F36-L42 HydrophobicContact CD1-CD2 4.01Å; F36-L42 HydrophobicContact CD1-CG 3.72Å; F36-L42 HydrophobicContact CD2-CD2 4.41Å; F36-L42 HydrophobicContact CE1-CD2 4.31Å; F36-L42 HydrophobicContact CE1-CG 4.09Å; F36-L42 HydrophobicContact CG-CD1 4.17Å; F36-L42 HydrophobicContact CG-CD2 4.08Å; F36-L42 HydrophobicContact CG-CG 4.23Å; F36-E63 HydrophobicContact CE2-CB 4.33Å; F36-E63 HydrophobicContact CZ-CB 4.43Å; F36-L66 HydrophobicContact CB-CD2 4.46Å; F36-L66 HydrophobicContact CD2-CB 4.38Å; F36-L66 HydrophobicContact CD2-CD2 3.58Å; F36-L66 HydrophobicContact CD2-CG 3.86Å; F36-L66 HydrophobicContact CE2-CB 4.38Å; F36-L66 HydrophobicContact CE2-CD2 4.35Å; F36-L66 HydrophobicContact CE2-CG 4.31Å; F36-L67 HydrophobicContact CE1-CD2 4.14Å; F36-L67 HydrophobicContact CE2-CD2 3.78Å; F36-L67 HydrophobicContact CE2-CG 3.74Å; F36-L67 HydrophobicContact CZ-CD1 4.01Å; F36-L67 HydrophobicContact CZ-CD2 3.49Å; F36-L67 VanDerWaalsContact CZ-CD2 3.49Å; F36-L67 HydrophobicContact CZ-CG 3.62Å
37P91Very high84.6Confident36 Ų3649.3 Ų49.323%0.23427%0.265CS..SBendtrans-79.2-21.7-168.628.7-34.5000114.8E63 P222P37-E63 HydrophobicContact CG-CG 4.5Å; P37-E63 VanDerWaalsContact CG-OE1 3.29Å; P37-E63 WeakPolarHBondContact CG-OE1 3.48Å; P37-P222 HydrophobicContact CB-CB 4.08Å; P37-P222 HydrophobicContact CB-CG 3.99Å
38D89.1Confident82.1Confident65 Ų6553 Ų5335%0.34828%0.283SS..  trans-134.7113.7-169.7-171.8-15.3000112.6F36 S40 L41F36-D38 WeakPolarHBondContact CD1-O 3.29Å; F36-D38 HydrophobicContact CE1-CB 4.24Å; F36-D38 WeakPolarHBondContact CE1-O 3.42Å; D38-S40 VanDerWaalsContact C-N 3.29Å; D38-S40 VanDerWaalsContact CG-OG 3.22Å; D38-S40 PolarHBondContact O-N 2.87Å; D38-S40 VanDerWaalsContact OD1-CB 3.31Å; D38-S40 WeakPolarHBondContact OD1-CB 3.14Å; D38-S40 PolarHBondContact OD1-N 2.82Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; D38-S40 PolarHBondContact OD2-OG 3.28Å; D38-L41 HydrophobicContact CB-CD1 3.82Å; D38-L41 HydrophobicContact CB-CG 4Å
39L89Confident80Confident48 Ų4856.1 Ų56.125%0.25131%0.307SS..Hα-helixtrans-67.5-28.2179.6-175.859.3000113L28 Y31 L41 L42 N43L28-L39 HydrophobicContact CD2-CD1 3.86Å; L28-L39 HydrophobicContact CD2-CD2 4.22Å; Y31-L39 HydrophobicContact CD1-CB 3.92Å; Y31-L39 HydrophobicContact CD1-CD1 4.19Å; Y31-L39 HydrophobicContact CD1-CD2 4.05Å; Y31-L39 HydrophobicContact CD1-CG 4.27Å; Y31-L39 HydrophobicContact CD2-CB 3.7Å; Y31-L39 HydrophobicContact CE1-CB 3.98Å; Y31-L39 HydrophobicContact CE1-CD2 4.1Å; Y31-L39 HydrophobicContact CE2-CB 3.77Å; Y31-L39 HydrophobicContact CG-CB 3.77Å; Y31-L39 HydrophobicContact CG-CD1 4.07Å; Y31-L39 HydrophobicContact CG-CG 4.36Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.29Å; L39-L42 HydrophobicContact CD1-CD1 4.36Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-N43 PolarHBondContact O-N 2.86Å
40S86.8Confident77.5Confident75 Ų7562.1 Ų62.152%0.52434%0.339SS..Hα-helixtrans-66.5-36-176.770.90000111.7D38 L42 N43D38-S40 VanDerWaalsContact C-N 3.29Å; D38-S40 VanDerWaalsContact CG-OG 3.22Å; D38-S40 PolarHBondContact O-N 2.87Å; D38-S40 VanDerWaalsContact OD1-CB 3.31Å; D38-S40 WeakPolarHBondContact OD1-CB 3.14Å; D38-S40 PolarHBondContact OD1-N 2.82Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; D38-S40 PolarHBondContact OD2-OG 3.28Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.14Å; S40-N43 CarbonylContact O-C 3.53Å; S40-N43 PolarHBondContact O-N 2.94Å
41L86Confident75.3Confident23 Ų2363.3 Ų63.312%0.1235%0.348CS..Hα-helixtrans-71.6-25.3177.2-56.5176.1000113.2F36 D38 L39 N43 L55 L59 L67F36-L41 HydrophobicContact CE1-CB 3.93Å; F36-L41 HydrophobicContact CE1-CD1 3.99Å; F36-L41 HydrophobicContact CZ-CB 4.22Å; F36-L41 HydrophobicContact CZ-CD1 4.04Å; D38-L41 HydrophobicContact CB-CD1 3.82Å; D38-L41 HydrophobicContact CB-CG 4Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.29Å; L41-N43 VanDerWaalsContact C-N 3.32Å; L41-L55 HydrophobicContact CD2-CD2 3.69Å; L41-L59 HydrophobicContact CD1-CD1 3.94Å; L41-L59 HydrophobicContact CD1-CD2 3.35Å; L41-L59 HydrophobicContact CD1-CG 4.29Å; L41-L59 HydrophobicContact CD2-CD1 4.32Å; L41-L59 HydrophobicContact CD2-CD2 4.4Å; L41-L67 HydrophobicContact CB-CD1 4.25Å; L41-L67 HydrophobicContact CB-CD2 4.28Å
42L85.8Confident73.2Confident4 Ų462.9 Ų62.92%0.02135%0.349CS..Hα-helixtrans-75.7-25.3177.4-67.4171.9000111.7K27 F36 L39 S40 P44 L67 I70K27-L42 HydrophobicContact CB-CB 4.19Å; K27-L42 HydrophobicContact CB-CD1 4.3Å; K27-L42 HydrophobicContact CD-CB 4.18Å; K27-L42 WeakPolarHBondContact CD-O 3.49Å; K27-L42 VanDerWaalsContact CE-O 3.26Å; K27-L42 WeakPolarHBondContact CE-O 3.3Å; K27-L42 HydrophobicContact CG-CB 4.2Å; K27-L42 PolarHBondContact NZ-O 3.32Å; K27-L42 WeakPolarHBondContact O-CD1 3.45Å; F36-L42 HydrophobicContact CB-CD1 4.2Å; F36-L42 HydrophobicContact CD1-CD1 3.84Å; F36-L42 HydrophobicContact CD1-CD2 4.01Å; F36-L42 HydrophobicContact CD1-CG 3.72Å; F36-L42 HydrophobicContact CD2-CD2 4.41Å; F36-L42 HydrophobicContact CE1-CD2 4.31Å; F36-L42 HydrophobicContact CE1-CG 4.09Å; F36-L42 HydrophobicContact CG-CD1 4.17Å; F36-L42 HydrophobicContact CG-CD2 4.08Å; F36-L42 HydrophobicContact CG-CG 4.23Å; L39-L42 HydrophobicContact CD1-CD1 4.36Å; L39-L42 PolarHBondContact O-N 2.92Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.14Å; L42-P44 VanDerWaalsContact C-CD 3.42Å; L42-P44 WeakPolarHBondContact O-CD 3.37Å; L42-L67 HydrophobicContact CD2-CD2 3.8Å; L42-I70 HydrophobicContact CD2-CD1 3.62Å
43N79.2Confident71.1Confident69 Ų6964.3 Ų64.337%0.36936%0.358SS..SBendtrans-120.566.2-179.2-61-56.7000110.7K27 L39 S40 L41K27-N43 WeakPolarHBondContact CD-OD1 3.34Å; L39-N43 PolarHBondContact O-N 2.86Å; S40-N43 CarbonylContact O-C 3.53Å; S40-N43 PolarHBondContact O-N 2.94Å; L41-N43 VanDerWaalsContact C-N 3.32Å
44P61.5Low69.1Low45 Ų4572.1 Ų72.129%0.29239%0.392SS..  trans-59.8136.2176.526.3-32.3000109.3L42 Q46 E52L42-P44 VanDerWaalsContact C-CD 3.42Å; L42-P44 WeakPolarHBondContact O-CD 3.37Å; P44-Q46 PolarHBondContact O-N 2.86Å; P44-E52 HydrophobicContact CB-CG 4.25Å; P44-E52 WeakPolarHBondContact CB-OE1 3.4Å; P44-E52 WeakPolarHBondContact CG-OE1 3.37Å
45P56Low67.5Low84 Ų8475.1 Ų75.155%0.54540%0.404SS..  trans-59.3132.7174.422.8-30.2000109.4N47P45-N47 PolarHBondContact O-N 2.86Å
46Q52.5Low66Low199 Ų19978.4 Ų78.493%0.9342%0.419SS*.THydrogen-bonded Turntrans-59.2-6.6-176.1-70.5-174.8-19.600114.9P44P44-Q46 PolarHBondContact O-N 2.86Å
47N43.4Very low64.5Low153 Ų15385.1 Ų85.182%0.81846%0.455SS*.THydrogen-bonded Turntrans-108.39.3-167.7-71.6-15.3000115P45P45-N47 PolarHBondContact O-N 2.86Å
48E43.5Very low63.7Low106 Ų10687.6 Ų87.650%0.49547%0.473SS..  trans-138.572.6-176.5-61.3-171.5173.300113.3D50 S51 E52E48-D50 PolarHBondContact O-N 3.5Å; E48-D50 VanDerWaalsContact O-N 3.17Å; E48-S51 WeakPolarHBondContact CB-OG 3.44Å; E48-S51 PolarHBondContact O-N 2.85Å; E48-S51 VanDerWaalsContact O-N 3.08Å; E48-S51 PolarHBondContact O-OG 2.94Å; E48-S51 WeakPolarHBondContact OE2-CB 3.14Å; E48-S51 PolarHBondContact OE2-OG 2.82Å; E48-E52 PolarHBondContact O-N 2.85Å
49S50.2Low63.4Low92 Ų9285.9 Ų85.964%0.64346%0.464SS*.Hα-helixtrans-54.9-28.8169.252.50000113.2
50D44.6Very low63.3Low126 Ų12687.1 Ų87.167%0.67447%0.468SS*.Hα-helixtrans-80.1-21.9177.7-77.7-22.9000114.1E48E48-D50 PolarHBondContact O-N 3.5Å; E48-D50 VanDerWaalsContact O-N 3.17Å
51S50.1Low63.4Low26 Ų2687 Ų8718%0.18247%0.468CS..Hα-helixtrans-87.5-27.5178.568.90000112.4E48 I53 K54 L55E48-S51 WeakPolarHBondContact CB-OG 3.44Å; E48-S51 PolarHBondContact O-N 2.85Å; E48-S51 VanDerWaalsContact O-N 3.08Å; E48-S51 PolarHBondContact O-OG 2.94Å; E48-S51 WeakPolarHBondContact OE2-CB 3.14Å; E48-S51 PolarHBondContact OE2-OG 2.82Å; S51-I53 VanDerWaalsContact C-N 3.27Å; S51-I53 PolarHBondContact O-N 2.93Å; S51-K54 PolarHBondContact O-N 2.93Å; S51-L55 WeakPolarHBondContact O-CB 3.39Å; S51-L55 WeakPolarHBondContact O-CD1 3.22Å; S51-L55 PolarHBondContact O-N 2.83Å
52E52.4Low63.7Low73 Ų7392.3 Ų92.334%0.34149%0.49SS..Hα-helixtrans-56.7-40173-72.4-169.7159.800112.5P44 E48 Q56P44-E52 HydrophobicContact CB-CG 4.25Å; P44-E52 WeakPolarHBondContact CB-OE1 3.4Å; P44-E52 WeakPolarHBondContact CG-OE1 3.37Å; E48-E52 PolarHBondContact O-N 2.85Å; E52-Q56 WeakPolarHBondContact O-CG 3.34Å; E52-Q56 PolarHBondContact O-N 2.8Å
53I51.2Low64Low107 Ų10793.1 Ų93.155%0.54949%0.494SS..Hα-helixtrans-68.3-44.6179.3-59.3175.2000110.7S51 Q56S51-I53 VanDerWaalsContact C-N 3.27Å; S51-I53 PolarHBondContact O-N 2.93Å; I53-Q56 PolarHBondContact O-N 2.88Å
54K52.4Low64.5Low164 Ų16491 Ų9171%0.71348%0.483SS*.Hα-helixtrans-70.3-33.8-178.8-70.8-176.9-178.7174.30113.2S51S51-K54 PolarHBondContact O-N 2.93Å
55L61.4Low66Low82 Ų8295.5 Ų95.543%0.42950%0.498SS..Hα-helixtrans-64.9-42.2175.7-89.2145.8000110.6L41 S51 D57 S58 L59L41-L55 HydrophobicContact CD2-CD2 3.69Å; S51-L55 WeakPolarHBondContact O-CB 3.39Å; S51-L55 WeakPolarHBondContact O-CD1 3.22Å; S51-L55 PolarHBondContact O-N 2.83Å; L55-D57 VanDerWaalsContact C-N 3.29Å; L55-D57 PolarHBondContact O-N 2.81Å; L55-S58 PolarHBondContact O-N 3.3Å; L55-S58 VanDerWaalsContact O-N 3.13Å; L55-S58 PolarHBondContact O-OG 3.02Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.25Å
56Q64.1Low67.9Low69 Ų6991.7 Ų91.732%0.32247%0.473SS..Hα-helixtrans-59.9-34.4179.7-75.3178.72300113.7E52 I53 S58 L59E52-Q56 WeakPolarHBondContact O-CG 3.34Å; E52-Q56 PolarHBondContact O-N 2.8Å; I53-Q56 PolarHBondContact O-N 2.88Å; Q56-S58 VanDerWaalsContact C-N 3.25Å; Q56-S58 PolarHBondContact O-N 3.43Å; Q56-L59 PolarHBondContact O-N 2.97Å
57D63.4Low69.9Low141 Ų14183 Ų8375%0.75443%0.433SS*.Hα-helixtrans-66.9-24.5178.9-72.6-24.5000113.7L55L55-D57 VanDerWaalsContact C-N 3.29Å; L55-D57 PolarHBondContact O-N 2.81Å
58S75.1Confident72.2Confident88 Ų8880.3 Ų80.362%0.61542%0.415SS*.Hα-helixtrans-89.2-15.8178.9730000113.8L55 Q56L55-S58 PolarHBondContact O-N 3.3Å; L55-S58 VanDerWaalsContact O-N 3.13Å; L55-S58 PolarHBondContact O-OG 3.02Å; Q56-S58 VanDerWaalsContact C-N 3.25Å; Q56-S58 PolarHBondContact O-N 3.43Å
59L83.3Confident74.7Confident30 Ų3076.5 Ų76.516%0.15740%0.4CS..SBendtrans-82.1150.2-173.5-69173.6000112.1L41 L55 Q56 E63 V64 L67L41-L59 HydrophobicContact CD1-CD1 3.94Å; L41-L59 HydrophobicContact CD1-CD2 3.35Å; L41-L59 HydrophobicContact CD1-CG 4.29Å; L41-L59 HydrophobicContact CD2-CD1 4.32Å; L41-L59 HydrophobicContact CD2-CD2 4.4Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.25Å; Q56-L59 PolarHBondContact O-N 2.97Å; L59-E63 HydrophobicContact CB-CB 4.39Å; L59-V64 HydrophobicContact CB-CG2 3.65Å; L59-V64 HydrophobicContact CD1-CG2 4.43Å; L59-L67 HydrophobicContact CD1-CD1 3.72Å
60H86.1Confident76.9Confident73 Ų7372.3 Ų72.334%0.33837%0.371SS..  trans-66.9141.3171.6-172.9-88.5000109.7K62 E63 V64H60-K62 PolarHBondContact ND1-N 2.88Å; H60-K62 PolarHBondContact O-N 3.01Å; H60-E63 HydrophobicContact CB-CG 4.21Å; H60-E63 VanDerWaalsContact CB-OE2 3.28Å; H60-E63 WeakPolarHBondContact CB-OE2 3.4Å; H60-E63 PolarHBondContact N-OE2 3.48Å; H60-E63 WeakPolarHBondContact O-CA 3.4Å; H60-E63 WeakPolarHBondContact O-CB 3.29Å; H60-E63 PolarHBondContact O-N 3.24Å; H60-V64 PolarHBondContact O-N 3.32Å
61S89.5Confident79.3Confident74 Ų7469.9 Ų69.952%0.51736%0.355SS..Hα-helixtrans-51.3-30.6-177.360.70000115K65S61-K65 VanDerWaalsContact O-CG 3.3Å; S61-K65 WeakPolarHBondContact O-CG 3.2Å; S61-K65 PolarHBondContact O-N 3.03Å
62K91.8Very high81.5Confident133 Ų13372.3 Ų72.358%0.57836%0.364SS*.Hα-helixtrans-70.5-37.3174.5-67.7179179.2175.70113.2H60 L66 V220H60-K62 PolarHBondContact ND1-N 2.88Å; H60-K62 PolarHBondContact O-N 3.01Å; K62-L66 PolarHBondContact O-N 3.08Å; K62-L66 VanDerWaalsContact O-N 3.08Å; K62-V220 HydrophobicContact CB-CG1 4.25Å; K62-V220 HydrophobicContact CB-CG2 3.84Å
63E91.8Very high83.6Confident22 Ų2268.9 Ų68.910%0.10335%0.348CS..Hα-helixtrans-67.1-46.7177.6-62169.9139.900109.6F36 P37 L59 H60 K65 L66 L67 V220F36-E63 HydrophobicContact CE2-CB 4.33Å; F36-E63 HydrophobicContact CZ-CB 4.43Å; P37-E63 HydrophobicContact CG-CG 4.5Å; P37-E63 VanDerWaalsContact CG-OE1 3.29Å; P37-E63 WeakPolarHBondContact CG-OE1 3.48Å; L59-E63 HydrophobicContact CB-CB 4.39Å; H60-E63 HydrophobicContact CB-CG 4.21Å; H60-E63 VanDerWaalsContact CB-OE2 3.28Å; H60-E63 WeakPolarHBondContact CB-OE2 3.4Å; H60-E63 PolarHBondContact N-OE2 3.48Å; H60-E63 WeakPolarHBondContact O-CA 3.4Å; H60-E63 WeakPolarHBondContact O-CB 3.29Å; H60-E63 PolarHBondContact O-N 3.24Å; E63-K65 PolarHBondContact O-N 3Å; E63-L66 PolarHBondContact O-N 2.93Å; E63-L66 VanDerWaalsContact O-N 3.14Å; E63-L67 WeakPolarHBondContact O-CG 3.41Å; E63-L67 PolarHBondContact O-N 3.28Å; E63-V220 HydrophobicContact CG-CB 4.39Å; E63-V220 HydrophobicContact CG-CG1 3.77Å
64V90.6Very high85.8Confident24 Ų2465 Ų6515%0.14533%0.327CS..Hα-helixtrans-56.1-48.5175.4179.40000111.3L59 H60 L66 L67 Q68L59-V64 HydrophobicContact CB-CG2 3.65Å; L59-V64 HydrophobicContact CD1-CG2 4.43Å; H60-V64 PolarHBondContact O-N 3.32Å; V64-L66 VanDerWaalsContact C-N 3.31Å; V64-L66 PolarHBondContact O-N 3.31Å; V64-L67 PolarHBondContact O-N 2.94Å; V64-Q68 HydrophobicContact CG1-CG 4.48Å; V64-Q68 WeakPolarHBondContact O-CG 3.45Å; V64-Q68 PolarHBondContact O-N 3.28Å
65K93Very high87.8Confident140 Ų14060.6 Ų60.661%0.60932%0.317SS*.Hα-helixtrans-60.6-39.1177.7-76.4179.6-178.5-172.20112.9S61 E63 S69S61-K65 VanDerWaalsContact O-CG 3.3Å; S61-K65 WeakPolarHBondContact O-CG 3.2Å; S61-K65 PolarHBondContact O-N 3.03Å; E63-K65 PolarHBondContact O-N 3Å; K65-S69 WeakPolarHBondContact O-CB 3.13Å; K65-S69 PolarHBondContact O-N 2.85Å; K65-S69 PolarHBondContact O-OG 3.39Å
66L95.4Very high89.5Confident3 Ų358.1 Ų58.12%0.01630%0.304CS..Hα-helixtrans-70.5-41.3178179.551.7000111.4M30 Q35 F36 K62 E63 V64 S69 I70 F217 F218 V220M30-L66 HydrophobicContact CE-CD1 4.04Å; M30-L66 HydrophobicContact CE-CD2 4.13Å; Q35-L66 WeakPolarHBondContact O-CD2 3.24Å; F36-L66 HydrophobicContact CB-CD2 4.46Å; F36-L66 HydrophobicContact CD2-CB 4.38Å; F36-L66 HydrophobicContact CD2-CD2 3.58Å; F36-L66 HydrophobicContact CD2-CG 3.86Å; F36-L66 HydrophobicContact CE2-CB 4.38Å; F36-L66 HydrophobicContact CE2-CD2 4.35Å; F36-L66 HydrophobicContact CE2-CG 4.31Å; K62-L66 PolarHBondContact O-N 3.08Å; K62-L66 VanDerWaalsContact O-N 3.08Å; E63-L66 PolarHBondContact O-N 2.93Å; E63-L66 VanDerWaalsContact O-N 3.14Å; V64-L66 VanDerWaalsContact C-N 3.31Å; V64-L66 PolarHBondContact O-N 3.31Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 3.47Å; L66-I70 HydrophobicContact CD1-CD1 4.04Å; L66-I70 HydrophobicContact CD1-CG1 4.18Å; L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 WeakPolarHBondContact O-CG1 3.25Å; L66-I70 PolarHBondContact O-N 3.18Å; L66-F217 HydrophobicContact CD1-CB 3.6Å; L66-F217 HydrophobicContact CD1-CD1 4.27Å; L66-F217 HydrophobicContact CD1-CG 3.92Å; L66-F218 WeakPolarHBondContact CD2-O 3.47Å; L66-V220 HydrophobicContact CB-CG2 4.35Å; L66-V220 HydrophobicContact CD2-CG2 4.01Å
67L93.6Very high91Very high17 Ų1754.9 Ų54.99%0.08929%0.289CS..Hα-helixtrans-58.7-47.8173.5-72.2173.2000111.6F36 L41 L42 L59 E63 V64 S69 I70 Q71F36-L67 HydrophobicContact CE1-CD2 4.14Å; F36-L67 HydrophobicContact CE2-CD2 3.78Å; F36-L67 HydrophobicContact CE2-CG 3.74Å; F36-L67 HydrophobicContact CZ-CD1 4.01Å; F36-L67 HydrophobicContact CZ-CD2 3.49Å; F36-L67 VanDerWaalsContact CZ-CD2 3.49Å; F36-L67 HydrophobicContact CZ-CG 3.62Å; L41-L67 HydrophobicContact CB-CD1 4.25Å; L41-L67 HydrophobicContact CB-CD2 4.28Å; L42-L67 HydrophobicContact CD2-CD2 3.8Å; L59-L67 HydrophobicContact CD1-CD1 3.72Å; E63-L67 WeakPolarHBondContact O-CG 3.41Å; E63-L67 PolarHBondContact O-N 3.28Å; V64-L67 PolarHBondContact O-N 2.94Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 2.97Å; L67-I70 PolarHBondContact O-N 3.23Å; L67-Q71 WeakPolarHBondContact O-CG 3.25Å; L67-Q71 PolarHBondContact O-N 3.31Å
68Q93.3Very high92.4Very high97 Ų9750.8 Ų50.845%0.45327%0.267SS..Hα-helixtrans-59-41.7176.1-73173-17.100112V64 Q71 E72V64-Q68 HydrophobicContact CG1-CG 4.48Å; V64-Q68 WeakPolarHBondContact O-CG 3.45Å; V64-Q68 PolarHBondContact O-N 3.28Å; Q68-Q71 PolarHBondContact O-N 2.81Å; Q68-E72 WeakPolarHBondContact O-CB 3.32Å; Q68-E72 PolarHBondContact O-N 2.95Å
69S96.3Very high93.3Very high25 Ų2550.8 Ų50.818%0.17527%0.267CS..Hα-helixtrans-63.4-42.2177.3-59.70000111.8K65 L66 L67 E72 V73 F217K65-S69 WeakPolarHBondContact O-CB 3.13Å; K65-S69 PolarHBondContact O-N 2.85Å; K65-S69 PolarHBondContact O-OG 3.39Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 3.47Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 2.97Å; S69-E72 PolarHBondContact O-N 2.94Å; S69-V73 PolarHBondContact O-N 3.29Å; S69-V73 VanDerWaalsContact O-N 3.16Å; S69-F217 VanDerWaalsContact C-CE1 3.5Å; S69-F217 VanDerWaalsContact O-CE1 3.3Å; S69-F217 WeakPolarHBondContact O-CE1 3.45Å
70I96.3Very high93.9Very high4 Ų450.1 Ų50.12%0.02127%0.265CS..Hα-helixtrans-63.6-49.8176.6-71.6166.5000109.9M26 K27 M30 L42 L66 L67 E72 V73 E74 F217M26-I70 HydrophobicContact CE-CG2 3.94Å; K27-I70 HydrophobicContact CG-CG2 4.44Å; M30-I70 HydrophobicContact CG-CD1 4.28Å; L42-I70 HydrophobicContact CD2-CD1 3.62Å; L66-I70 HydrophobicContact CD1-CD1 4.04Å; L66-I70 HydrophobicContact CD1-CG1 4.18Å; L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 WeakPolarHBondContact O-CG1 3.25Å; L66-I70 PolarHBondContact O-N 3.18Å; L67-I70 PolarHBondContact O-N 3.23Å; I70-E72 VanDerWaalsContact C-N 3.27Å; I70-E72 PolarHBondContact O-N 3.04Å; I70-V73 PolarHBondContact O-N 3.4Å; I70-V73 VanDerWaalsContact O-N 3.17Å; I70-E74 HydrophobicContact CG2-CG 4.45Å; I70-E74 VanDerWaalsContact CG2-OE1 3.29Å; I70-E74 WeakPolarHBondContact CG2-OE1 3.32Å; I70-E74 WeakPolarHBondContact O-CG 3.47Å; I70-E74 PolarHBondContact O-N 3.22Å; I70-F217 HydrophobicContact CB-CZ 4.37Å; I70-F217 HydrophobicContact CG1-CD1 4.48Å; I70-F217 HydrophobicContact CG1-CD2 4.21Å; I70-F217 HydrophobicContact CG1-CE1 4.17Å; I70-F217 HydrophobicContact CG1-CE2 3.84Å; I70-F217 HydrophobicContact CG1-CZ 3.81Å
71Q94.5Very high94.1Very high76 Ų7650.6 Ų50.636%0.35527%0.266SS..Hα-helixtrans-58.3-37.2177.1-72.5173.1-29.500112.7L67 Q68 E74 S75L67-Q71 WeakPolarHBondContact O-CG 3.25Å; L67-Q71 PolarHBondContact O-N 3.31Å; Q68-Q71 PolarHBondContact O-N 2.81Å; Q71-E74 PolarHBondContact O-N 2.86Å; Q71-S75 WeakPolarHBondContact O-CB 3.37Å; Q71-S75 PolarHBondContact O-N 3Å; Q71-S75 PolarHBondContact O-OG 3.41Å
72E95.9Very high94.2Very high77 Ų7748.7 Ų48.736%0.3625%0.253SS..Hα-helixtrans-63.5-47.2175.8-170.9-173.3-168.400111.6Q68 S69 I70 E74 S75 N76 W164 T215Q68-E72 WeakPolarHBondContact O-CB 3.32Å; Q68-E72 PolarHBondContact O-N 2.95Å; S69-E72 PolarHBondContact O-N 2.94Å; I70-E72 VanDerWaalsContact C-N 3.27Å; I70-E72 PolarHBondContact O-N 3.04Å; E72-E74 VanDerWaalsContact C-N 3.32Å; E72-E74 PolarHBondContact O-N 3.38Å; E72-S75 PolarHBondContact O-N 3.4Å; E72-N76 WeakPolarHBondContact O-CB 3.42Å; E72-N76 PolarHBondContact O-N 2.79Å; E72-N76 PolarHBondContact O-ND2 3.19Å; E72-W164 HydrophobicContact CG-CZ2 3.7Å; E72-W164 PolarHBondContact OE1-NE1 2.95Å; E72-W164 VanDerWaalsContact OE1-NE1 3.12Å; E72-T215 PolarHBondContact OE2-OG1 2.94Å
73V97.1Very high94.1Very high1 Ų145.8 Ų45.81%0.00624%0.242CC..Hα-helixtrans-60.5-42.5175.6168.30000111M26 S69 I70 N76 L77 I152 W164 S213 F217M26-V73 HydrophobicContact CE-CG1 4.2Å; M26-V73 HydrophobicContact SD-CG1 3.99Å; S69-V73 PolarHBondContact O-N 3.29Å; S69-V73 VanDerWaalsContact O-N 3.16Å; I70-V73 PolarHBondContact O-N 3.4Å; I70-V73 VanDerWaalsContact O-N 3.17Å; V73-N76 PolarHBondContact O-N 3.07Å; V73-L77 WeakPolarHBondContact O-CB 3.32Å; V73-L77 PolarHBondContact O-N 3.2Å; V73-I152 HydrophobicContact CG1-CG2 4.13Å; V73-W164 HydrophobicContact CB-CH2 4.41Å; V73-W164 HydrophobicContact CG2-CH2 3.67Å; V73-W164 HydrophobicContact CG2-CZ3 4.31Å; V73-S213 WeakPolarHBondContact CG2-OG 3.24Å; V73-F217 HydrophobicContact CB-CE1 4.32Å; V73-F217 HydrophobicContact CB-CZ 3.91Å; V73-F217 HydrophobicContact CG1-CZ 4.37Å; V73-F217 HydrophobicContact CG2-CE1 3.57Å; V73-F217 HydrophobicContact CG2-CZ 3.53Å
74E96Very high94Very high24 Ų2446 Ų4611%0.11225%0.245CC..Hα-helixtrans-63.6-46.9180-67.5-178.8-177.100111.8C23 M26 K27 I70 Q71 E72 N76 L77 L78C23-E74 HydrophobicContact CB-CG 3.96Å; M26-E74 HydrophobicContact CE-CG 3.78Å; M26-E74 WeakPolarHBondContact CE-OE1 3.45Å; K27-E74 WeakPolarHBondContact CE-OE1 3.31Å; K27-E74 WeakPolarHBondContact CE-OE2 3.19Å; K27-E74 IonicContact NZ-OE1 2.69Å; K27-E74 IonicContact NZ-OE2 2.8Å; K27-E74 PolarHBondContact NZ-OE2 2.85Å; I70-E74 HydrophobicContact CG2-CG 4.45Å; I70-E74 VanDerWaalsContact CG2-OE1 3.29Å; I70-E74 WeakPolarHBondContact CG2-OE1 3.32Å; I70-E74 WeakPolarHBondContact O-CG 3.47Å; I70-E74 PolarHBondContact O-N 3.22Å; Q71-E74 PolarHBondContact O-N 2.86Å; E72-E74 VanDerWaalsContact C-N 3.32Å; E72-E74 PolarHBondContact O-N 3.38Å; E74-N76 VanDerWaalsContact C-N 3.29Å; E74-N76 PolarHBondContact O-N 3.02Å; E74-L77 PolarHBondContact O-N 3.43Å; E74-L78 WeakPolarHBondContact O-CB 3.47Å; E74-L78 WeakPolarHBondContact O-CG 3.34Å; E74-L78 PolarHBondContact O-N 2.95Å
75S95.4Very high94.1Very high73 Ų7345.3 Ų45.351%0.5124%0.241SC..Hα-helixtrans-62.1-38.8178.2-57.10000111.6Q71 E72 S79Q71-S75 WeakPolarHBondContact O-CB 3.37Å; Q71-S75 PolarHBondContact O-N 3Å; Q71-S75 PolarHBondContact O-OG 3.41Å; E72-S75 PolarHBondContact O-N 3.4Å; S75-S79 WeakPolarHBondContact O-CB 3.29Å; S75-S79 PolarHBondContact O-N 3.32Å; S75-S79 PolarHBondContact O-OG 2.99Å
76N96.9Very high94.1Very high29 Ų2939.2 Ų39.216%0.15521%0.214CC..Hα-helixtrans-75.5-33.2178.1-77.9-74.5000113.2E72 V73 E74 S79 S80 W164 F165E72-N76 WeakPolarHBondContact O-CB 3.42Å; E72-N76 PolarHBondContact O-N 2.79Å; E72-N76 PolarHBondContact O-ND2 3.19Å; V73-N76 PolarHBondContact O-N 3.07Å; E74-N76 VanDerWaalsContact C-N 3.29Å; E74-N76 PolarHBondContact O-N 3.02Å; N76-S79 VanDerWaalsContact CA-OG 3.31Å; N76-S79 WeakPolarHBondContact CA-OG 3.45Å; N76-S79 PolarHBondContact O-OG 3.38Å; N76-S80 WeakPolarHBondContact O-CB 3.46Å; N76-S80 PolarHBondContact O-N 2.69Å; N76-S80 PolarHBondContact O-OG 2.92Å; N76-S80 VanDerWaalsContact O-OG 3.04Å; N76-W164 HydrophobicContact CB-CB 4.36Å; N76-W164 HydrophobicContact CB-CD2 3.58Å; N76-W164 HydrophobicContact CB-CE3 3.39Å; N76-W164 HydrophobicContact CB-CG 4.03Å; N76-W164 HydrophobicContact CB-CH2 4.42Å; N76-W164 HydrophobicContact CB-CZ3 3.83Å; N76-W164 VanDerWaalsContact ND2-CE2 3.34Å; N76-W164 PolarHBondContact ND2-NE1 3.23Å; N76-W164 VanDerWaalsContact OD1-CB 3.22Å; N76-W164 WeakPolarHBondContact OD1-CB 3.07Å; N76-F165 HydrophobicContact CB-CE2 4.23Å
77L95.5Very high94.1Very high1 Ų139.1 Ų39.11%0.00521%0.214CC..Hα-helixtrans-66-44.3172.4-17563.9000111.1C19 I22 V73 E74 S80 K81 I85 F88 I154 F165C19-L77 HydrophobicContact CB-CD2 4.34Å; C19-L77 HydrophobicContact CB-CG 4.27Å; I22-L77 HydrophobicContact CB-CD2 4.12Å; I22-L77 HydrophobicContact CG2-CD2 3.66Å; V73-L77 WeakPolarHBondContact O-CB 3.32Å; V73-L77 PolarHBondContact O-N 3.2Å; E74-L77 PolarHBondContact O-N 3.43Å; L77-S80 CarbonylContact O-C 3.56Å; L77-S80 PolarHBondContact O-N 2.89Å; L77-K81 WeakPolarHBondContact O-CA 2.64Å; L77-K81 PolarHBondContact O-N 3.4Å; L77-I85 HydrophobicContact CD1-CD1 4.1Å; L77-F88 HydrophobicContact CD2-CE2 4.24Å; L77-I154 HydrophobicContact CD1-CG2 4.3Å; L77-F165 HydrophobicContact CB-CZ 4.48Å; L77-F165 HydrophobicContact CD1-CZ 4.45Å
78L94Very high94.3Very high56 Ų5638.4 Ų38.429%0.29321%0.21SC..Hα-helixtrans-66.7-43177.4-75.2166.5000112.5C19 E74 S80 K81C19-L78 HydrophobicContact CB-CD2 3.48Å; C19-L78 VanDerWaalsContact CB-CD2 3.48Å; C19-L78 HydrophobicContact CB-CG 4.15Å; E74-L78 WeakPolarHBondContact O-CB 3.47Å; E74-L78 WeakPolarHBondContact O-CG 3.34Å; E74-L78 PolarHBondContact O-N 2.95Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-K81 WeakPolarHBondContact O-CB 3.36Å; L78-K81 WeakPolarHBondContact O-CD 3.11Å; L78-K81 VanDerWaalsContact O-CG 3.24Å; L78-K81 WeakPolarHBondContact O-CG 3.32Å; L78-K81 PolarHBondContact O-N 3.27Å
79S94Very high94.5Very high87 Ų8733.8 Ų33.861%0.60819%0.188SC*.Hα-helixtrans-70.5-29177.658.20000113.2S75 N76S75-S79 WeakPolarHBondContact O-CB 3.29Å; S75-S79 PolarHBondContact O-N 3.32Å; S75-S79 PolarHBondContact O-OG 2.99Å; N76-S79 VanDerWaalsContact CA-OG 3.31Å; N76-S79 WeakPolarHBondContact CA-OG 3.45Å; N76-S79 PolarHBondContact O-OG 3.38Å
80S94Very high94.6Very high17 Ų1732.6 Ų32.612%0.11918%0.18CC..THydrogen-bonded Turntrans-9917.9175.6-52.10000112.8N76 L77 L78 S82 F160 S162N76-S80 WeakPolarHBondContact O-CB 3.46Å; N76-S80 PolarHBondContact O-N 2.69Å; N76-S80 PolarHBondContact O-OG 2.92Å; N76-S80 VanDerWaalsContact O-OG 3.04Å; L77-S80 CarbonylContact O-C 3.56Å; L77-S80 PolarHBondContact O-N 2.89Å; L78-S80 VanDerWaalsContact C-N 3.33Å; S80-S82 PolarHBondContact O-N 3.02Å; S80-F160 VanDerWaalsContact O-CE2 3.32Å; S80-F160 WeakPolarHBondContact O-CE2 3.3Å; S80-S162 PolarHBondContact OG-OG 3.11Å
81K92.1Very high94.7Very high82 Ų8232.4 Ų32.436%0.35718%0.179SC..  trans-57.3136.4-176.768.5-173171.8-176.20110.9L15 D16 C19 L77 L78L15-K81 HydrophobicContact CB-CB 4.43Å; L15-K81 HydrophobicContact CB-CD 4.1Å; L15-K81 HydrophobicContact CB-CG 4.32Å; D16-K81 VanDerWaalsContact OD1-CD 3.32Å; D16-K81 WeakPolarHBondContact OD1-CD 3.43Å; D16-K81 IonicContact OD1-NZ 3.59Å; D16-K81 PolarHBondContact OD1-NZ 2.86Å; D16-K81 IonicContact OD2-NZ 3.06Å; D16-K81 PolarHBondContact OD2-NZ 2.8Å; C19-K81 VanDerWaalsContact SG-CB 3.52Å; L77-K81 WeakPolarHBondContact O-CA 2.64Å; L77-K81 PolarHBondContact O-N 3.4Å; L78-K81 WeakPolarHBondContact O-CB 3.36Å; L78-K81 WeakPolarHBondContact O-CD 3.11Å; L78-K81 VanDerWaalsContact O-CG 3.24Å; L78-K81 WeakPolarHBondContact O-CG 3.32Å; L78-K81 PolarHBondContact O-N 3.27Å
82S91.4Very high94.8Very high35 Ų3529 Ų2925%0.24516%0.163CC..  trans-153.5147.2-177.4177.20000110.7S80 S84 I85S80-S82 PolarHBondContact O-N 3.02Å; S82-S84 PolarHBondContact O-N 2.78Å; S82-S84 PolarHBondContact OG-N 2.58Å; S82-S84 VanDerWaalsContact OG-N 3.13Å; S82-I85 PolarHBondContact O-N 3.05Å
83E88.3Confident94.8Very high72 Ų7225.4 Ų25.434%0.33615%0.146SC..THydrogen-bonded Turntrans-61.7-24.1170.3-67.8-176.2178.100111.9L15 I85 Y111 T114L15-E83 HydrophobicContact CD1-CG 4.14Å; L15-E83 HydrophobicContact CD2-CB 4.38Å; L15-E83 HydrophobicContact CD2-CG 3.75Å; L15-E83 HydrophobicContact CG-CG 4.28Å; E83-I85 PolarHBondContact O-N 3.3Å; E83-Y111 HydrophobicContact CB-CD2 4.13Å; E83-Y111 HydrophobicContact CB-CE2 4.29Å; E83-Y111 WeakPolarHBondContact O-CD2 3.17Å; E83-T114 PolarHBondContact OE1-OG1 2.84Å
84S90.6Very high94.7Very high26 Ų2626.9 Ų26.918%0.18216%0.162CC..THydrogen-bonded Turntrans-83.510.8180-52.30000113.9S82 F86 T156 S157S82-S84 PolarHBondContact O-N 2.78Å; S82-S84 PolarHBondContact OG-N 2.58Å; S82-S84 VanDerWaalsContact OG-N 3.13Å; S84-F86 VanDerWaalsContact O-CD2 3.3Å; S84-F86 WeakPolarHBondContact O-CD2 3.34Å; S84-F86 WeakPolarHBondContact O-CE2 3.2Å; S84-T156 CarbonylContact O-C 3.56Å; S84-T156 WeakPolarHBondContact O-CA 3.1Å; S84-T156 VanDerWaalsContact O-CB 3.24Å; S84-T156 WeakPolarHBondContact O-CB 3.43Å; S84-S157 PolarHBondContact O-N 3.06Å
85I93.1Very high94.7Very high10 Ų1028.4 Ų28.45%0.05117%0.173CC..EExtended strand (participates in β ladder)trans-89.2109.6170.1-59.5173.4000108.2L77 S82 E83 I107 I154 T156 F160L77-I85 HydrophobicContact CD1-CD1 4.1Å; S82-I85 PolarHBondContact O-N 3.05Å; E83-I85 PolarHBondContact O-N 3.3Å; I85-I107 WeakPolarHBondContact O-CD1 3.48Å; I85-I154 HydrophobicContact CG2-CB 4.4Å; I85-I154 HydrophobicContact CG2-CG2 4.45Å; I85-T156 HydrophobicContact CB-CG2 4.33Å; I85-T156 HydrophobicContact CG1-CG2 3.77Å; I85-F160 HydrophobicContact CD1-CE2 4.32Å; I85-F160 HydrophobicContact CG1-CE2 4.26Å
86F93Very high94.7Very high11 Ų1126.2 Ų26.25%0.04816%0.157CC..EExtended strand (participates in β ladder)trans-103.4-35.4-172.5-54.1-64.9000112.9S84 I107 N108 Y111 C155 L208S84-F86 VanDerWaalsContact O-CD2 3.3Å; S84-F86 WeakPolarHBondContact O-CD2 3.34Å; S84-F86 WeakPolarHBondContact O-CE2 3.2Å; F86-I107 VanDerWaalsContact O-CG1 3.24Å; F86-I107 WeakPolarHBondContact O-CG1 3.24Å; F86-I107 PolarHBondContact O-N 2.85Å; F86-N108 HydrophobicContact CB-CB 4.43Å; F86-N108 WeakPolarHBondContact CD1-OD1 3.45Å; F86-Y111 HydrophobicContact CD1-CG 4.34Å; F86-Y111 AromaticContact CE1-CD1 3.64Å; F86-Y111 HydrophobicContact CE1-CD1 3.64Å; F86-Y111 AromaticContact CE1-CD2 3.72Å; F86-Y111 HydrophobicContact CE1-CD2 3.72Å; F86-Y111 HydrophobicContact CE1-CE1 4.08Å; F86-Y111 HydrophobicContact CE1-CE2 4.15Å; F86-Y111 AromaticContact CE1-CG 3.44Å; F86-Y111 HydrophobicContact CE1-CG 3.44Å; F86-Y111 VanDerWaalsContact CE1-CG 3.44Å; F86-Y111 HydrophobicContact CZ-CD1 4.21Å; F86-Y111 HydrophobicContact CZ-CD2 4.29Å; F86-Y111 HydrophobicContact CZ-CE1 4.19Å; F86-Y111 HydrophobicContact CZ-CE2 4.26Å; F86-Y111 HydrophobicContact CZ-CG 4.26Å; F86-C155 PolarHBondContact N-O 3.22Å; F86-L208 HydrophobicContact CD2-CD2 3.55Å; F86-L208 HydrophobicContact CE2-CD2 3.37Å; F86-L208 HydrophobicContact CZ-CD2 4.46Å
87Y95.4Very high94.6Very high2 Ų229.3 Ų29.31%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-135.4142.5-176.7-50.7-88.6000111.6L104 I105 D106 I154 C155 L197 I200 L208Y87-L104 HydrophobicContact CD1-CD1 4.33Å; Y87-L104 HydrophobicContact CD1-CD2 4.04Å; Y87-L104 HydrophobicContact CD1-CG 4.29Å; Y87-L104 HydrophobicContact CG-CD1 4.44Å; Y87-I105 VanDerWaalsContact CA-O 3.31Å; Y87-I105 WeakPolarHBondContact CA-O 3.35Å; Y87-D106 HydrophobicContact CD1-CB 3.82Å; Y87-D106 HydrophobicContact CE1-CB 3.76Å; Y87-D106 WeakPolarHBondContact CE1-OD1 3.38Å; Y87-I154 CarbonylContact O-C 3.58Å; Y87-I154 WeakPolarHBondContact O-CA 3.45Å; Y87-C155 HydrophobicContact CD2-CB 3.83Å; Y87-C155 HydrophobicContact CG-CB 4.28Å; Y87-C155 PolarHBondContact N-O 3.23Å; Y87-C155 PolarHBondContact O-N 2.99Å; Y87-L197 HydrophobicContact CD1-CD2 4.38Å; Y87-L197 HydrophobicContact CE1-CD2 3.71Å; Y87-I200 HydrophobicContact CD2-CD1 4.24Å; Y87-I200 HydrophobicContact CD2-CG2 4.03Å; Y87-I200 HydrophobicContact CE1-CD1 4.09Å; Y87-I200 HydrophobicContact CE2-CD1 3.33Å; Y87-I200 HydrophobicContact CE2-CG1 4.21Å; Y87-I200 HydrophobicContact CE2-CG2 4.2Å; Y87-I200 HydrophobicContact CG-CG2 4.47Å; Y87-I200 WeakPolarHBondContact OH-CD1 3.49Å; Y87-L208 HydrophobicContact CE2-CD1 4.49Å
88F97.4Very high94.6Very high2 Ų232.8 Ų32.81%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-118.8127.2170.6-171.2-89000109I22 M26 L77 I90 L104 I105 I152 I154I22-F88 HydrophobicContact CD1-CB 4.35Å; I22-F88 HydrophobicContact CG2-CB 4.18Å; I22-F88 HydrophobicContact CG2-CD1 3.88Å; I22-F88 HydrophobicContact CG2-CD2 3.33Å; I22-F88 HydrophobicContact CG2-CE1 3.95Å; I22-F88 HydrophobicContact CG2-CE2 3.45Å; I22-F88 VanDerWaalsContact CG2-CE2 3.45Å; I22-F88 HydrophobicContact CG2-CG 3.54Å; I22-F88 HydrophobicContact CG2-CZ 3.74Å; M26-F88 HydrophobicContact CB-CE1 4.44Å; M26-F88 HydrophobicContact SD-CZ 3.98Å; L77-F88 HydrophobicContact CD2-CE2 4.24Å; F88-I90 HydrophobicContact CD1-CD1 4.4Å; F88-I90 HydrophobicContact CD1-CG1 3.9Å; F88-I90 HydrophobicContact CE1-CD1 3.91Å; F88-I90 HydrophobicContact CE1-CG1 3.56Å; F88-L104 CarbonylContact O-C 3.54Å; F88-L104 WeakPolarHBondContact O-CA 3.5Å; F88-I105 HydrophobicContact CB-CB 4.21Å; F88-I105 HydrophobicContact CB-CD1 4.38Å; F88-I105 HydrophobicContact CD1-CD1 3.88Å; F88-I105 HydrophobicContact CG-CD1 4.5Å; F88-I105 PolarHBondContact N-O 2.94Å; F88-I105 PolarHBondContact O-N 3.01Å; F88-I152 HydrophobicContact CE1-CD1 4.18Å; F88-I152 HydrophobicContact CE1-CG2 4.03Å; F88-I152 HydrophobicContact CE2-CG2 3.52Å; F88-I152 HydrophobicContact CZ-CB 4.49Å; F88-I152 HydrophobicContact CZ-CD1 4.18Å; F88-I152 HydrophobicContact CZ-CG2 3.25Å; F88-I154 HydrophobicContact CD2-CG2 3.68Å; F88-I154 HydrophobicContact CE2-CG2 4.17Å
89L98.1Very high94.7Very high0 Ų030.4 Ų30.40%019%0.193CC..EExtended strand (participates in β ladder)trans-121123.4-173.7174.168.2000110.2M91 A102 F103 L104 Y153 F171 W210L89-M91 HydrophobicContact CD1-CG 4.39Å; L89-M91 HydrophobicContact CD2-CE 4.33Å; L89-M91 HydrophobicContact CD2-CG 4.19Å; L89-M91 HydrophobicContact CD2-SD 4.24Å; L89-M91 HydrophobicContact CG-CG 4.12Å; L89-A102 HydrophobicContact CD1-CB 3.96Å; L89-F103 WeakPolarHBondContact CA-O 3.31Å; L89-L104 HydrophobicContact CB-CD1 4.05Å; L89-L104 HydrophobicContact CD1-CB 4.42Å; L89-L104 HydrophobicContact CD1-CD1 4.17Å; L89-Y153 PolarHBondContact N-O 3.35Å; L89-Y153 PolarHBondContact O-N 3.39Å; L89-F171 HydrophobicContact CD2-CE1 3.83Å; L89-F171 HydrophobicContact CD2-CZ 3.83Å; L89-W210 HydrophobicContact CB-CH2 3.73Å; L89-W210 HydrophobicContact CB-CZ3 3.52Å; L89-W210 HydrophobicContact CD2-CE3 4.47Å; L89-W210 HydrophobicContact CD2-CH2 3.88Å; L89-W210 HydrophobicContact CD2-CZ2 4.37Å; L89-W210 HydrophobicContact CD2-CZ3 3.94Å; L89-W210 HydrophobicContact CG-CH2 4.38Å; L89-W210 HydrophobicContact CG-CZ3 4.37Å
90I98.4Very high94.8Very high0 Ų033.1 Ų33.10%019%0.194CC..EExtended strand (participates in β ladder)trans-106.5117.5172-52.9-177.7000108.1M26 F29 F88 A102 F103 T150 I152M26-I90 HydrophobicContact CB-CD1 4.35Å; M26-I90 HydrophobicContact CG-CD1 4.33Å; F29-I90 HydrophobicContact CB-CD1 4.18Å; F29-I90 HydrophobicContact CD1-CD1 4.13Å; F29-I90 HydrophobicContact CD1-CG2 3.83Å; F29-I90 HydrophobicContact CE1-CG2 3.54Å; F29-I90 HydrophobicContact CG-CD1 4.07Å; F29-I90 HydrophobicContact CZ-CG2 4.13Å; F88-I90 HydrophobicContact CD1-CD1 4.4Å; F88-I90 HydrophobicContact CD1-CG1 3.9Å; F88-I90 HydrophobicContact CE1-CD1 3.91Å; F88-I90 HydrophobicContact CE1-CG1 3.56Å; I90-A102 CarbonylContact O-C 3.14Å; I90-A102 WeakPolarHBondContact O-CA 3.19Å; I90-F103 HydrophobicContact CB-CB 4.35Å; I90-F103 HydrophobicContact CD1-CD1 4.13Å; I90-F103 PolarHBondContact N-O 3.04Å; I90-F103 PolarHBondContact O-N 3.27Å; I90-T150 HydrophobicContact CG2-CG2 3.35Å; I90-I152 HydrophobicContact CB-CD1 4.38Å; I90-I152 HydrophobicContact CD1-CD1 4.48Å; I90-I152 HydrophobicContact CG1-CD1 3.89Å; I90-I152 HydrophobicContact CG2-CD1 4.12Å
91M97.9Very high94.9Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-107.8126.3172.8-72.1-179.6-70.100109.6L89 P96 P99 A102 T150 Y151 Y153 F171 L173L89-M91 HydrophobicContact CD1-CG 4.39Å; L89-M91 HydrophobicContact CD2-CE 4.33Å; L89-M91 HydrophobicContact CD2-CG 4.19Å; L89-M91 HydrophobicContact CD2-SD 4.24Å; L89-M91 HydrophobicContact CG-CG 4.12Å; M91-P96 HydrophobicContact CE-CB 3.85Å; M91-P96 HydrophobicContact CE-CG 4.35Å; M91-P96 HydrophobicContact SD-CB 4.38Å; M91-P99 HydrophobicContact CB-CB 3.91Å; M91-P99 HydrophobicContact CB-CG 4.44Å; M91-P99 HydrophobicContact CG-CB 4.16Å; M91-P99 HydrophobicContact CG-CG 4.16Å; M91-P99 HydrophobicContact SD-CB 4.26Å; M91-P99 HydrophobicContact SD-CG 3.84Å; M91-A102 HydrophobicContact CG-CB 4.39Å; M91-T150 CarbonylContact O-C 3.58Å; M91-T150 VanDerWaalsContact O-CA 3.29Å; M91-T150 WeakPolarHBondContact O-CA 3.46Å; M91-Y151 PolarHBondContact N-O 3.26Å; M91-Y151 PolarHBondContact O-N 2.6Å; M91-Y153 HydrophobicContact CE-CD1 4.38Å; M91-Y153 HydrophobicContact CE-CD2 3.31Å; M91-Y153 HydrophobicContact CE-CE1 4.21Å; M91-Y153 HydrophobicContact CE-CE2 3.17Å; M91-Y153 HydrophobicContact CE-CG 3.98Å; M91-F171 HydrophobicContact CE-CE2 3.74Å; M91-F171 HydrophobicContact CE-CZ 3.72Å; M91-F171 HydrophobicContact SD-CE2 3.83Å; M91-F171 HydrophobicContact SD-CZ 3.65Å; M91-L173 HydrophobicContact CG-CD1 4.28Å; M91-L173 HydrophobicContact SD-CD1 3.74Å
92I97.2Very high95.2Very high4 Ų430 Ų302%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-119.4136.2-176.4-172.6169.8000111.4F29 Q35 K100 R101 T148F29-I92 HydrophobicContact CE1-CB 4.42Å; F29-I92 HydrophobicContact CE1-CD1 4.13Å; F29-I92 HydrophobicContact CZ-CG2 4.2Å; Q35-I92 HydrophobicContact CG-CD1 3.66Å; I92-K100 WeakPolarHBondContact O-CB 3.42Å; I92-K100 PolarHBondContact O-N 3.47Å; I92-K100 VanDerWaalsContact O-N 3.08Å; I92-R101 HydrophobicContact CG2-CB 3.79Å; I92-R101 PolarHBondContact N-O 2.94Å; I92-R101 PolarHBondContact O-N 2.89Å; I92-T148 HydrophobicContact CD1-CG2 4.18Å; I92-T148 HydrophobicContact CG1-CG2 3.5Å; I92-T148 VanDerWaalsContact CG1-CG2 3.5Å
93G95.7Very high95.5Very high1 Ų128.3 Ų28.31%0.0117%0.166CC..SBendtrans74.9148.1-18000000113.5P99 K100 R149G93-P99 VanDerWaalsContact O-CA 3.25Å; G93-P99 WeakPolarHBondContact O-CA 3.39Å; G93-K100 PolarHBondContact O-N 3.2Å; G93-R149 PolarHBondContact N-O 3.21Å
94G94.6Very high95.9Very high33 Ų3324.9 Ų24.934%0.3415%0.15SC..SBendtrans71.1-141.5-179.400000113.2Y151G94-Y151 WeakPolarHBondContact O-CE2 3.35Å; G94-Y151 PolarHBondContact O-OH 3.03Å
95V95.3Very high96.2Very high56 Ų5623.7 Ų23.734%0.33914%0.141SC..  trans-126.4162.4176-67.60000109.4S97 S98 P99V95-S97 WeakPolarHBondContact CG2-OG 3.32Å; V95-S97 PolarHBondContact O-N 2.99Å; V95-S98 WeakPolarHBondContact CG2-OG 3.3Å; V95-S98 CarbonylContact O-C 3.56Å; V95-S98 PolarHBondContact O-N 3.32Å; V95-P99 WeakPolarHBondContact O-CD 3.4Å
96P95.2Very high96.3Very high27 Ų2723.5 Ų23.518%0.17514%0.141CC..THydrogen-bonded Turntrans-56.5-23.7-176.9-29.938.2000115.6M91 P99 Y151 Y153 F171M91-P96 HydrophobicContact CE-CB 3.85Å; M91-P96 HydrophobicContact CE-CG 4.35Å; M91-P96 HydrophobicContact SD-CB 4.38Å; P96-P99 WeakPolarHBondContact O-CD 3.48Å; P96-Y151 HydrophobicContact CG-CD1 3.72Å; P96-Y151 HydrophobicContact CG-CD2 4.17Å; P96-Y151 HydrophobicContact CG-CE1 3.95Å; P96-Y151 HydrophobicContact CG-CE2 4.38Å; P96-Y151 HydrophobicContact CG-CG 3.84Å; P96-Y153 WeakPolarHBondContact CB-OH 3.37Å; P96-Y153 HydrophobicContact CG-CE2 4.41Å; P96-F171 HydrophobicContact CB-CE2 4.29Å
97S94.6Very high96.2Very high93 Ų9323.3 Ų23.365%0.6514%0.14SC*.THydrogen-bonded Turntrans-83.8-8.3175.659.60000114.3V95 P174V95-S97 WeakPolarHBondContact CG2-OG 3.32Å; V95-S97 PolarHBondContact O-N 2.99Å; S97-P174 WeakPolarHBondContact O-CG 3.48Å
98S95.9Very high95.9Very high74 Ų7424.7 Ų24.752%0.51715%0.147SC..SBendtrans-155.256.2177.153.50000111.7V95V95-S98 WeakPolarHBondContact CG2-OG 3.3Å; V95-S98 CarbonylContact O-C 3.56Å; V95-S98 PolarHBondContact O-N 3.32Å
99P96.7Very high95.4Very high7 Ų726.4 Ų26.45%0.04516%0.157CC..  trans-70146.8-17828.2-31000110.6M91 G93 V95 P96 R101 L173 C177M91-P99 HydrophobicContact CB-CB 3.91Å; M91-P99 HydrophobicContact CB-CG 4.44Å; M91-P99 HydrophobicContact CG-CB 4.16Å; M91-P99 HydrophobicContact CG-CG 4.16Å; M91-P99 HydrophobicContact SD-CB 4.26Å; M91-P99 HydrophobicContact SD-CG 3.84Å; G93-P99 VanDerWaalsContact O-CA 3.25Å; G93-P99 WeakPolarHBondContact O-CA 3.39Å; V95-P99 WeakPolarHBondContact O-CD 3.4Å; P96-P99 WeakPolarHBondContact O-CD 3.48Å; P99-R101 VanDerWaalsContact C-N 3.3Å; P99-R101 PolarHBondContact O-N 3.36Å; P99-L173 HydrophobicContact CG-CD1 3.79Å; P99-C177 HydrophobicContact CG-CB 4.31Å; P99-C177 PolarHBondContact O-SG 3.02Å
100K96.2Very high94.6Very high143 Ų14326.4 Ų26.462%0.62216%0.157SC*.SBendtrans-69.5-31.7178.5-69.7-173.7175.5-178.70112.1I92 G93 P178I92-K100 WeakPolarHBondContact O-CB 3.42Å; I92-K100 PolarHBondContact O-N 3.47Å; I92-K100 VanDerWaalsContact O-N 3.08Å; G93-K100 PolarHBondContact O-N 3.2Å; K100-P178 WeakPolarHBondContact O-CD 3.38Å
101R96.2Very high93.3Very high33 Ų3331.3 Ų31.313%0.12518%0.176CC..EExtended strand (participates in β ladder)trans-157.1150.6178.3-165.9-170.3-29-178.912.1109.7I92 P99 N140 V141 K143 P178I92-R101 HydrophobicContact CG2-CB 3.79Å; I92-R101 PolarHBondContact N-O 2.94Å; I92-R101 PolarHBondContact O-N 2.89Å; P99-R101 VanDerWaalsContact C-N 3.3Å; P99-R101 PolarHBondContact O-N 3.36Å; R101-N140 PolarHBondContact NH1-O 3.22Å; R101-V141 PolarHBondContact NH1-O 2.82Å; R101-K143 PolarHBondContact NH1-O 3.41Å; R101-K143 PolarHBondContact NH2-O 3.42Å; R101-P178 WeakPolarHBondContact CA-O 3.34Å
102A97.6Very high91.5Very high1 Ų135.3 Ų35.31%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-122.7140.7172.400000110.5L89 I90 M91 L173 P178 V179 H180L89-A102 HydrophobicContact CD1-CB 3.96Å; I90-A102 CarbonylContact O-C 3.14Å; I90-A102 WeakPolarHBondContact O-CA 3.19Å; M91-A102 HydrophobicContact CG-CB 4.39Å; A102-L173 HydrophobicContact CB-CD1 4.11Å; A102-L173 HydrophobicContact CB-CD2 3.73Å; A102-P178 PolarHBondContact N-O 3.17Å; A102-V179 HydrophobicContact CB-CG1 4.2Å; A102-V179 HydrophobicContact CB-CG2 4.29Å; A102-V179 WeakPolarHBondContact O-CA 3.45Å; A102-H180 PolarHBondContact O-N 3.32Å
103F97.9Very high89.6Confident0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-123.5114.1171.6174.5-147.6000109I25 F29 L89 I90 I105 F137 V141 F142 H180 L182I25-F103 HydrophobicContact CG2-CE1 3.65Å; I25-F103 HydrophobicContact CG2-CZ 4.01Å; F29-F103 AromaticContact CD2-CD1 3.45Å; F29-F103 HydrophobicContact CD2-CD1 3.45Å; F29-F103 VanDerWaalsContact CD2-CD1 3.45Å; F29-F103 HydrophobicContact CD2-CE1 4.02Å; F29-F103 HydrophobicContact CD2-CG 4.33Å; F29-F103 HydrophobicContact CE2-CB 3.92Å; F29-F103 AromaticContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CD1 3.71Å; F29-F103 HydrophobicContact CE2-CG 4.15Å; F29-F103 HydrophobicContact CG-CD1 4.25Å; F29-F103 HydrophobicContact CZ-CB 4.41Å; L89-F103 WeakPolarHBondContact CA-O 3.31Å; I90-F103 HydrophobicContact CB-CB 4.35Å; I90-F103 HydrophobicContact CD1-CD1 4.13Å; I90-F103 PolarHBondContact N-O 3.04Å; I90-F103 PolarHBondContact O-N 3.27Å; F103-I105 HydrophobicContact CE1-CD1 4.31Å; F103-I105 HydrophobicContact CE1-CG1 4.08Å; F103-I105 HydrophobicContact CE2-CG1 4.23Å; F103-I105 HydrophobicContact CZ-CD1 4.48Å; F103-I105 HydrophobicContact CZ-CG1 3.86Å; F103-F137 HydrophobicContact CE2-CE1 4.37Å; F103-F137 HydrophobicContact CE2-CZ 4.23Å; F103-V141 HydrophobicContact CB-CG2 3.92Å; F103-V141 HydrophobicContact CD1-CG2 4.05Å; F103-V141 HydrophobicContact CD2-CG2 3.43Å; F103-V141 VanDerWaalsContact CD2-CG2 3.43Å; F103-V141 HydrophobicContact CE1-CG2 4.43Å; F103-V141 HydrophobicContact CE2-CG2 3.87Å; F103-V141 HydrophobicContact CG-CG2 3.53Å; F103-V141 HydrophobicContact CZ-CG2 4.35Å; F103-F142 HydrophobicContact CE1-CZ 4.36Å; F103-H180 WeakPolarHBondContact CA-O 3.44Å; F103-H180 HydrophobicContact CD2-CB 4.41Å; F103-L182 HydrophobicContact CE2-CB 3.59Å; F103-L182 HydrophobicContact CE2-CD2 4.45Å; F103-L182 HydrophobicContact CZ-CB 4Å; F103-L182 HydrophobicContact CZ-CD2 4.03Å
104L97.6Very high87.5Confident0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-102.2128.9178.6-172.475.3000109.4Y87 F88 L89 H180 V181 L182 L197 L201 W210Y87-L104 HydrophobicContact CD1-CD1 4.33Å; Y87-L104 HydrophobicContact CD1-CD2 4.04Å; Y87-L104 HydrophobicContact CD1-CG 4.29Å; Y87-L104 HydrophobicContact CG-CD1 4.44Å; F88-L104 CarbonylContact O-C 3.54Å; F88-L104 WeakPolarHBondContact O-CA 3.5Å; L89-L104 HydrophobicContact CB-CD1 4.05Å; L89-L104 HydrophobicContact CD1-CB 4.42Å; L89-L104 HydrophobicContact CD1-CD1 4.17Å; L104-H180 PolarHBondContact N-O 3.19Å; L104-V181 HydrophobicContact CB-CG1 4.45Å; L104-V181 HydrophobicContact CB-CG2 4.16Å; L104-V181 HydrophobicContact CD2-CG1 4.1Å; L104-V181 HydrophobicContact CD2-CG2 4.17Å; L104-V181 CarbonylContact O-C 3.59Å; L104-V181 WeakPolarHBondContact O-CA 3.38Å; L104-L182 PolarHBondContact O-N 3.01Å; L104-L197 HydrophobicContact CD2-CD2 3.82Å; L104-L201 HydrophobicContact CD1-CD2 4.19Å; L104-L201 HydrophobicContact CD2-CD1 4.26Å; L104-L201 HydrophobicContact CD2-CD2 4.16Å; L104-L201 HydrophobicContact CD2-CG 4.34Å; L104-W210 HydrophobicContact CD1-CH2 3.77Å
105I97Very high85.5Confident0 Ų047.3 Ų47.30%025%0.252CS..EExtended strand (participates in β ladder)trans-103.7118.3168.8-51.5168.3000106.4I25 Y87 F88 F103 I107 L182 I184I25-I105 HydrophobicContact CB-CD1 3.98Å; I25-I105 HydrophobicContact CD1-CD1 4.17Å; I25-I105 HydrophobicContact CD1-CG2 4.28Å; I25-I105 HydrophobicContact CG2-CD1 3.47Å; I25-I105 VanDerWaalsContact CG2-CD1 3.47Å; I25-I105 HydrophobicContact CG2-CG1 4.26Å; Y87-I105 VanDerWaalsContact CA-O 3.31Å; Y87-I105 WeakPolarHBondContact CA-O 3.35Å; F88-I105 HydrophobicContact CB-CB 4.21Å; F88-I105 HydrophobicContact CB-CD1 4.38Å; F88-I105 HydrophobicContact CD1-CD1 3.88Å; F88-I105 HydrophobicContact CG-CD1 4.5Å; F88-I105 PolarHBondContact N-O 2.94Å; F88-I105 PolarHBondContact O-N 3.01Å; F103-I105 HydrophobicContact CE1-CD1 4.31Å; F103-I105 HydrophobicContact CE1-CG1 4.08Å; F103-I105 HydrophobicContact CE2-CG1 4.23Å; F103-I105 HydrophobicContact CZ-CD1 4.48Å; F103-I105 HydrophobicContact CZ-CG1 3.86Å; I105-I107 HydrophobicContact CG2-CG2 4.14Å; I105-L182 WeakPolarHBondContact CA-O 3.44Å; I105-I184 HydrophobicContact CG2-CD1 3.56Å; I105-I184 HydrophobicContact CG2-CG1 4.33Å
106D94.2Very high83.4Confident6 Ų652 Ų523%0.03228%0.275CS..EExtended strand (participates in β ladder)trans-102.7118.1178174.42.9000109.2Y87 N108 L182 K183 I184Y87-D106 HydrophobicContact CD1-CB 3.82Å; Y87-D106 HydrophobicContact CE1-CB 3.76Å; Y87-D106 WeakPolarHBondContact CE1-OD1 3.38Å; D106-N108 VanDerWaalsContact OD1-CB 3.26Å; D106-N108 WeakPolarHBondContact OD1-CB 3.35Å; D106-N108 PolarHBondContact OD1-N 2.81Å; D106-L182 PolarHBondContact N-O 3.08Å; D106-K183 HydrophobicContact CB-CB 4.27Å; D106-K183 HydrophobicContact CB-CG 4.21Å; D106-I184 PolarHBondContact O-N 2.65Å
107I91.7Very high81.3Confident7 Ų754.7 Ų54.74%0.03629%0.291CS..  trans-12320.217859.3162000111.7I22 I85 F86 I105 D109 F110 I184I22-I107 HydrophobicContact CD1-CD1 3.89Å; I85-I107 WeakPolarHBondContact O-CD1 3.48Å; F86-I107 VanDerWaalsContact O-CG1 3.24Å; F86-I107 WeakPolarHBondContact O-CG1 3.24Å; F86-I107 PolarHBondContact O-N 2.85Å; I105-I107 HydrophobicContact CG2-CG2 4.14Å; I107-D109 PolarHBondContact O-N 3.36Å; I107-F110 HydrophobicContact CB-CD2 4.22Å; I107-F110 WeakPolarHBondContact O-CD2 3.44Å; I107-F110 PolarHBondContact O-N 3.06Å; I107-I184 HydrophobicContact CG2-CB 4.27Å; I107-I184 HydrophobicContact CG2-CD1 4.06Å
108N89.2Confident79.2Confident31 Ų3157.6 Ų57.617%0.16630%0.299CS..G310 helixtrans-62.2-29.7-173-169.438000112.9F86 D106 F110 Y111 E196F86-N108 HydrophobicContact CB-CB 4.43Å; F86-N108 WeakPolarHBondContact CD1-OD1 3.45Å; D106-N108 VanDerWaalsContact OD1-CB 3.26Å; D106-N108 WeakPolarHBondContact OD1-CB 3.35Å; D106-N108 PolarHBondContact OD1-N 2.81Å; N108-F110 PolarHBondContact O-N 3.46Å; N108-Y111 WeakPolarHBondContact O-CB 3.43Å; N108-Y111 PolarHBondContact O-N 3.41Å; N108-E196 PolarHBondContact ND2-OE1 3.33Å
109D86.2Confident77.2Confident38 Ų3861.6 Ų61.620%0.20331%0.307CS..G310 helixtrans-67.2-7.3-178.4-75-3.6000113.8I107 K183 V185 I189I107-D109 PolarHBondContact O-N 3.36Å; D109-K183 VanDerWaalsContact CG-CE 3.49Å; D109-K183 VanDerWaalsContact CG-NZ 3.31Å; D109-K183 IonicContact OD1-NZ 2.77Å; D109-K183 PolarHBondContact OD1-NZ 3.45Å; D109-K183 VanDerWaalsContact OD1-NZ 3.1Å; D109-K183 WeakPolarHBondContact OD2-CE 3.34Å; D109-K183 IonicContact OD2-NZ 3.4Å; D109-K183 PolarHBondContact OD2-NZ 3.25Å; D109-V185 VanDerWaalsContact OD2-CG1 3.29Å; D109-V185 WeakPolarHBondContact OD2-CG1 3.36Å; D109-I189 HydrophobicContact CB-CD1 4.02Å
110F80.7Confident75.2Confident0 Ų067.3 Ų67.30%034%0.342CS..G310 helixtrans-91.35.7172.5-61-80.1000113.4V8 F13 R18 I107 N108 I184 P186V8-F110 HydrophobicContact CB-CZ 4.41Å; V8-F110 HydrophobicContact CG1-CE1 4.16Å; V8-F110 HydrophobicContact CG1-CZ 3.76Å; F13-F110 HydrophobicContact CD1-CD1 4.02Å; F13-F110 AromaticContact CD1-CE1 3.7Å; F13-F110 HydrophobicContact CD1-CE1 3.7Å; F13-F110 HydrophobicContact CD1-CZ 4.2Å; F13-F110 AromaticContact CE1-CD1 3.7Å; F13-F110 HydrophobicContact CE1-CD1 3.7Å; F13-F110 HydrophobicContact CE1-CD2 4.16Å; F13-F110 AromaticContact CE1-CE1 3.26Å; F13-F110 HydrophobicContact CE1-CE1 3.26Å; F13-F110 AromaticContact CE1-CE2 3.77Å; F13-F110 HydrophobicContact CE1-CE2 3.77Å; F13-F110 HydrophobicContact CE1-CG 4.15Å; F13-F110 AromaticContact CE1-CZ 3.33Å; F13-F110 HydrophobicContact CE1-CZ 3.33Å; F13-F110 HydrophobicContact CZ-CD1 4.48Å; F13-F110 HydrophobicContact CZ-CD2 4.31Å; F13-F110 HydrophobicContact CZ-CE1 4.28Å; F13-F110 HydrophobicContact CZ-CE2 4.09Å; F13-F110 HydrophobicContact CZ-CZ 4.11Å; R18-F110 VanDerWaalsContact CZ-CB 3.47Å; R18-F110 PolarHBondContact NH1-O 2.8Å; R18-F110 VanDerWaalsContact NH1-O 3.11Å; R18-F110 PolarHBondContact NH2-O 3.46Å; I107-F110 HydrophobicContact CB-CD2 4.22Å; I107-F110 WeakPolarHBondContact O-CD2 3.44Å; I107-F110 PolarHBondContact O-N 3.06Å; N108-F110 PolarHBondContact O-N 3.46Å; F110-I184 HydrophobicContact CE2-CB 4.48Å; F110-I184 HydrophobicContact CE2-CG2 4.02Å; F110-I184 WeakPolarHBondContact CE2-O 3.41Å; F110-I184 HydrophobicContact CZ-CG2 4.37Å; F110-P186 HydrophobicContact CD1-CG 4.13Å; F110-P186 HydrophobicContact CE1-CB 4.36Å; F110-P186 HydrophobicContact CE1-CG 3.64Å; F110-P186 HydrophobicContact CZ-CG 3.97Å
111Y71.5Confident73.5Confident104 Ų10466.4 Ų66.441%0.40834%0.344SS..THydrogen-bonded Turntrans-110.8138.5178.6-178.5-99.7000114.3E83 F86 N108E83-Y111 HydrophobicContact CB-CD2 4.13Å; E83-Y111 HydrophobicContact CB-CE2 4.29Å; E83-Y111 WeakPolarHBondContact O-CD2 3.17Å; F86-Y111 HydrophobicContact CD1-CG 4.34Å; F86-Y111 AromaticContact CE1-CD1 3.64Å; F86-Y111 HydrophobicContact CE1-CD1 3.64Å; F86-Y111 AromaticContact CE1-CD2 3.72Å; F86-Y111 HydrophobicContact CE1-CD2 3.72Å; F86-Y111 HydrophobicContact CE1-CE1 4.08Å; F86-Y111 HydrophobicContact CE1-CE2 4.15Å; F86-Y111 AromaticContact CE1-CG 3.44Å; F86-Y111 HydrophobicContact CE1-CG 3.44Å; F86-Y111 VanDerWaalsContact CE1-CG 3.44Å; F86-Y111 HydrophobicContact CZ-CD1 4.21Å; F86-Y111 HydrophobicContact CZ-CD2 4.29Å; F86-Y111 HydrophobicContact CZ-CE1 4.19Å; F86-Y111 HydrophobicContact CZ-CE2 4.26Å; F86-Y111 HydrophobicContact CZ-CG 4.26Å; N108-Y111 WeakPolarHBondContact O-CB 3.43Å; N108-Y111 PolarHBondContact O-N 3.41Å
112P60.8Low72.4Confident83 Ų8372.3 Ų72.354%0.53938%0.376SS..THydrogen-bonded Turncis-9498.3-28.931.8-19.7000108.1
113K56.4Low71.5Confident140 Ų14073.7 Ų73.761%0.60939%0.385SS*.  trans-14244.4170.2-69-168.4-178.71750113.3H12 I115H12-K113 VanDerWaalsContact CE1-CB 3.5Å; H12-K113 WeakPolarHBondContact CE1-CB 3.38Å; H12-K113 PolarHBondContact CE1-O 2.63Å; H12-K113 VanDerWaalsContact CG-O 3.26Å; H12-K113 PolarHBondContact ND1-O 2.85Å; K113-I115 PolarHBondContact O-N 3.24Å
114T51.8Low70.8Confident41 Ų4177.6 Ų77.625%0.25241%0.412SS..  trans-68.382.7149.614.60000107.5E83 N116E83-T114 PolarHBondContact OE1-OG1 2.84Å; T114-N116 PolarHBondContact O-N 2.99Å
115I52.7Low70.4Confident110 Ų11078.2 Ų78.256%0.56442%0.415SS*.  trans-62.6124154.4-54.7174.1000103.7K113 V117K113-I115 PolarHBondContact O-N 3.24Å; I115-V117 HydrophobicContact CB-CG2 3.82Å; I115-V117 HydrophobicContact CG2-CG2 3.62Å; I115-V117 PolarHBondContact O-N 3.07Å
116N50.4Low70Confident155 Ų15585.9 Ų85.983%0.82944%0.444SS*.  trans-62.168.4166.7-96.6-15.7000108.4T114 N118T114-N116 PolarHBondContact O-N 2.99Å; N116-N118 PolarHBondContact O-N 2.84Å
117V52.6Low69.8Low82 Ų8292.2 Ų92.250%0.49747%0.473SS..  trans-81.5110.9162.5-1620000102.6I115 K119I115-V117 HydrophobicContact CB-CG2 3.82Å; I115-V117 HydrophobicContact CG2-CG2 3.62Å; I115-V117 PolarHBondContact O-N 3.07Å; V117-K119 HydrophobicContact CB-CG 4.12Å; V117-K119 HydrophobicContact CG1-CD 4.48Å; V117-K119 HydrophobicContact CG1-CG 3.71Å; V117-K119 PolarHBondContact O-N 3.39Å
118N49.7Very low69.9Low155 Ų15592 Ų9283%0.82947%0.472SS*.  trans-62.364.9167.3-73.8-17.7000109N116 T120N116-N118 PolarHBondContact O-N 2.84Å; N118-T120 PolarHBondContact O-N 3.45Å
119K55.1Low70.1Confident157 Ų15791.3 Ų91.368%0.68347%0.467SS*.  trans-79.5117.4168.5-75.1-166.7175.1-171.80106.2V117V117-K119 HydrophobicContact CB-CG 4.12Å; V117-K119 HydrophobicContact CG1-CD 4.48Å; V117-K119 HydrophobicContact CG1-CG 3.71Å; V117-K119 PolarHBondContact O-N 3.39Å
120T53.4Low70.5Confident127 Ų12793.8 Ų93.878%0.77948%0.478SS*.  trans-79.6-11.5172.244.30000112.3N118 I122N118-T120 PolarHBondContact O-N 3.45Å; T120-I122 PolarHBondContact O-N 3.2Å
121D60.6Low71.1Confident125 Ų12596.3 Ų96.367%0.66850%0.495SS*.  trans-83.6114.4-174.2-58.8-21000110.1V123D121-V123 PolarHBondContact O-N 2.93Å
122I72.3Confident72.2Confident156 Ų15691.5 Ų91.580%0.848%0.477SS*.  trans-65.7126.1175.2-64.4163.1000109.3T120 S124T120-I122 PolarHBondContact O-N 3.2Å; I122-S124 PolarHBondContact O-N 3.3Å
123V79.9Confident73.8Confident30 Ų3090.5 Ų90.518%0.18247%0.469CS..  trans-74.2123.8175-178.70000110.8V10 F13 E17 D121 F125V10-V123 HydrophobicContact CG1-CG1 4.05Å; V10-V123 HydrophobicContact CG1-CG2 3.93Å; V10-V123 HydrophobicContact CG2-CG1 4.27Å; V10-V123 HydrophobicContact CG2-CG2 4.36Å; F13-V123 HydrophobicContact CB-CG2 4.37Å; E17-V123 WeakPolarHBondContact OE1-CG2 3.28Å; E17-V123 PolarHBondContact OE1-N 3.14Å; D121-V123 PolarHBondContact O-N 2.93Å; V123-F125 HydrophobicContact CB-CE1 4.35Å; V123-F125 HydrophobicContact CB-CE2 4.4Å; V123-F125 HydrophobicContact CB-CZ 4.18Å; V123-F125 HydrophobicContact CG1-CD1 3.71Å; V123-F125 HydrophobicContact CG1-CD2 4.38Å; V123-F125 HydrophobicContact CG1-CE1 3.58Å; V123-F125 HydrophobicContact CG1-CE2 4.29Å; V123-F125 HydrophobicContact CG1-CG 4.12Å; V123-F125 HydrophobicContact CG1-CZ 3.91Å
124S82.2Confident75.6Confident82 Ų8291.5 Ų91.557%0.57348%0.476SS*.  trans-81-19.5-175.672.60000114.7R24 I122 R126R24-S124 PolarHBondContact NH1-O 3.4Å; R24-S124 VanDerWaalsContact NH1-O 3.15Å; I122-S124 PolarHBondContact O-N 3.3Å; S124-R126 PolarHBondContact O-N 3.25Å; S124-R126 PolarHBondContact OG-N 2.91Å
125F89.1Confident77.5Confident14 Ų1491.5 Ų91.56%0.06148%0.475CS..  trans51.713.5-172.3-58.5-66.7000115.3V8 F13 E17 L21 V123 F128 F129V8-F125 HydrophobicContact CG2-CD1 3.46Å; V8-F125 VanDerWaalsContact CG2-CD1 3.46Å; V8-F125 HydrophobicContact CG2-CE1 3.42Å; V8-F125 VanDerWaalsContact CG2-CE1 3.42Å; F13-F125 HydrophobicContact CD1-CE1 4.47Å; F13-F125 HydrophobicContact CD2-CE1 4.32Å; F13-F125 AromaticContact CD2-CZ 3.85Å; F13-F125 HydrophobicContact CD2-CZ 3.85Å; F13-F125 HydrophobicContact CE1-CE1 4.41Å; F13-F125 HydrophobicContact CE2-CE1 4.15Å; F13-F125 AromaticContact CE2-CZ 3.87Å; F13-F125 HydrophobicContact CE2-CZ 3.87Å; F13-F125 HydrophobicContact CG-CE1 4.44Å; F13-F125 HydrophobicContact CG-CZ 4.26Å; F13-F125 HydrophobicContact CZ-CE1 4.28Å; F13-F125 HydrophobicContact CZ-CZ 4.45Å; E17-F125 HydrophobicContact CB-CE2 4.29Å; E17-F125 HydrophobicContact CB-CZ 4.05Å; L21-F125 HydrophobicContact CB-CD2 4.37Å; L21-F125 HydrophobicContact CB-CE1 4.37Å; L21-F125 HydrophobicContact CB-CE2 3.97Å; L21-F125 HydrophobicContact CB-CZ 3.96Å; L21-F125 HydrophobicContact CD1-CB 4.24Å; L21-F125 HydrophobicContact CD1-CD1 3.95Å; L21-F125 HydrophobicContact CD1-CD2 4.22Å; L21-F125 HydrophobicContact CD1-CE1 4.33Å; L21-F125 HydrophobicContact CD1-CG 3.88Å; L21-F125 HydrophobicContact CD2-CD1 4.19Å; L21-F125 HydrophobicContact CD2-CE1 3.86Å; L21-F125 HydrophobicContact CD2-CZ 4.23Å; L21-F125 HydrophobicContact CG-CE1 4.42Å; V123-F125 HydrophobicContact CB-CE1 4.35Å; V123-F125 HydrophobicContact CB-CE2 4.4Å; V123-F125 HydrophobicContact CB-CZ 4.18Å; V123-F125 HydrophobicContact CG1-CD1 3.71Å; V123-F125 HydrophobicContact CG1-CD2 4.38Å; V123-F125 HydrophobicContact CG1-CE1 3.58Å; V123-F125 HydrophobicContact CG1-CE2 4.29Å; V123-F125 HydrophobicContact CG1-CG 4.12Å; V123-F125 HydrophobicContact CG1-CZ 3.91Å; F125-F128 WeakPolarHBondContact O-CB 3.44Å; F125-F128 PolarHBondContact O-N 3.13Å; F125-F129 HydrophobicContact CB-CD2 4Å; F125-F129 HydrophobicContact CB-CE2 3.77Å; F125-F129 WeakPolarHBondContact O-CD2 2.93Å; F125-F129 PolarHBondContact O-N 3.26Å; F125-F129 VanDerWaalsContact O-N 3.14Å
126R90Very high79.4Confident161 Ų16191.1 Ų91.161%0.60848%0.48SS*.Hα-helixtrans-60.4-52.5-172.7178.4179.5171.4-179.8-4111.9S124 F128 F129 E130S124-R126 PolarHBondContact O-N 3.25Å; S124-R126 PolarHBondContact OG-N 2.91Å; R126-F128 VanDerWaalsContact C-N 3.27Å; R126-F128 PolarHBondContact O-N 3.26Å; R126-F129 PolarHBondContact O-N 2.83Å; R126-F129 VanDerWaalsContact O-N 3.16Å; R126-E130 HydrophobicContact CG-CG 4.41Å; R126-E130 IonicContact CZ-OE1 2.75Å; R126-E130 IonicContact NE-OE1 3.43Å; R126-E130 PolarHBondContact NE-OE1 3.21Å; R126-E130 IonicContact NH2-OE1 3.11Å; R126-E130 PolarHBondContact NH2-OE1 3.39Å; R126-E130 VanDerWaalsContact NH2-OE1 3.11Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 3.35Å
127E89.4Confident81.5Confident138 Ų13884.3 Ų84.365%0.64544%0.443SS*.Hα-helixtrans-62.5-35.1-178.4-64.5175.117600112S131E127-S131 WeakPolarHBondContact O-CB 3.32Å; E127-S131 PolarHBondContact O-N 3.24Å; E127-S131 PolarHBondContact O-OG 2.87Å
128F93.7Very high83.6Confident2 Ų281.5 Ų81.51%0.00942%0.424CS..Hα-helixtrans-61.5-48.8173.4168.2-97.9000111.6L6 L21 I25 F125 R126 S131 L132 L182 I184L6-F128 HydrophobicContact CB-CD2 4.17Å; L6-F128 HydrophobicContact CB-CE2 3.86Å; L6-F128 HydrophobicContact CD1-CE2 4.38Å; L21-F128 HydrophobicContact CD1-CD1 3.99Å; L21-F128 HydrophobicContact CD1-CE1 3.86Å; I25-F128 HydrophobicContact CD1-CE1 4.14Å; I25-F128 HydrophobicContact CD1-CZ 4.34Å; I25-F128 HydrophobicContact CG1-CE1 4.45Å; F125-F128 WeakPolarHBondContact O-CB 3.44Å; F125-F128 PolarHBondContact O-N 3.13Å; R126-F128 VanDerWaalsContact C-N 3.27Å; R126-F128 PolarHBondContact O-N 3.26Å; F128-S131 PolarHBondContact O-N 2.87Å; F128-L132 HydrophobicContact CE1-CD2 4.45Å; F128-L132 WeakPolarHBondContact O-CB 3.18Å; F128-L132 PolarHBondContact O-N 3.49Å; F128-L182 HydrophobicContact CZ-CD2 4.06Å; F128-I184 HydrophobicContact CE2-CD1 4.34Å; F128-I184 HydrophobicContact CE2-CG1 3.91Å; F128-I184 HydrophobicContact CE2-CG2 4.12Å; F128-I184 HydrophobicContact CZ-CD1 3.79Å; F128-I184 HydrophobicContact CZ-CG1 3.8Å
129F94.6Very high85.6Confident18 Ų1879.5 Ų79.58%0.07941%0.414CS..Hα-helixtrans-68.8-37.9178.7-75-66.4000112.6L21 R24 I25 L28 F125 R126 S131 L132 V133L21-F129 HydrophobicContact CD1-CE2 3.99Å; L21-F129 HydrophobicContact CD1-CZ 3.77Å; R24-F129 HydrophobicContact CB-CE2 4.39Å; R24-F129 HydrophobicContact CB-CZ 3.91Å; R24-F129 HydrophobicContact CG-CE1 4.31Å; R24-F129 HydrophobicContact CG-CE2 3.83Å; R24-F129 HydrophobicContact CG-CZ 3.56Å; I25-F129 HydrophobicContact CG1-CE1 3.76Å; I25-F129 HydrophobicContact CG1-CZ 3.96Å; L28-F129 HydrophobicContact CD1-CD1 3.5Å; L28-F129 HydrophobicContact CD1-CE1 3.41Å; L28-F129 VanDerWaalsContact CD1-CE1 3.41Å; L28-F129 HydrophobicContact CD1-CG 4.37Å; L28-F129 HydrophobicContact CD1-CZ 4.22Å; F125-F129 HydrophobicContact CB-CD2 4Å; F125-F129 HydrophobicContact CB-CE2 3.77Å; F125-F129 WeakPolarHBondContact O-CD2 2.93Å; F125-F129 PolarHBondContact O-N 3.26Å; F125-F129 VanDerWaalsContact O-N 3.14Å; R126-F129 PolarHBondContact O-N 2.83Å; R126-F129 VanDerWaalsContact O-N 3.16Å; F129-S131 VanDerWaalsContact C-N 3.3Å; F129-S131 PolarHBondContact O-N 2.94Å; F129-L132 HydrophobicContact CD1-CD2 4.35Å; F129-L132 PolarHBondContact O-N 3.01Å; F129-V133 PolarHBondContact O-N 2.94Å; F129-V133 VanDerWaalsContact O-N 3.1Å
130E93.7Very high87.5Confident90 Ų9076.1 Ų76.142%0.42140%0.403SS..Hα-helixtrans-59.7-41.8172-73.7175.6175.200110.8R126 V133 Q134R126-E130 HydrophobicContact CG-CG 4.41Å; R126-E130 IonicContact CZ-OE1 2.75Å; R126-E130 IonicContact NE-OE1 3.43Å; R126-E130 PolarHBondContact NE-OE1 3.21Å; R126-E130 IonicContact NH2-OE1 3.11Å; R126-E130 PolarHBondContact NH2-OE1 3.39Å; R126-E130 VanDerWaalsContact NH2-OE1 3.11Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 3.35Å; E130-V133 WeakPolarHBondContact O-CG2 3.11Å; E130-Q134 VanDerWaalsContact O-CG 3.22Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å
131S93.1Very high89.4Confident53 Ų5370 Ų7037%0.37137%0.366SS..Hα-helixtrans-66.9-41.8175.3-57.50000112.2E127 F128 F129 V133 Q134E127-S131 WeakPolarHBondContact O-CB 3.32Å; E127-S131 PolarHBondContact O-N 3.24Å; E127-S131 PolarHBondContact O-OG 2.87Å; F128-S131 PolarHBondContact O-N 2.87Å; F129-S131 VanDerWaalsContact C-N 3.3Å; F129-S131 PolarHBondContact O-N 2.94Å; S131-V133 VanDerWaalsContact C-N 3.34Å; S131-V133 PolarHBondContact O-N 3.01Å; S131-Q134 PolarHBondContact O-N 3.37Å
132L94.9Very high91.1Very high3 Ų364.5 Ų64.52%0.01634%0.336CS..Hα-helixtrans-61.2-39.8-179.3178.160.8000112.1L6 F128 F129 Q134 V135 F137 F138 F142 L182L6-L132 HydrophobicContact CD1-CB 3.81Å; L6-L132 HydrophobicContact CD1-CD1 3.77Å; L6-L132 HydrophobicContact CD1-CG 4.39Å; F128-L132 HydrophobicContact CE1-CD2 4.45Å; F128-L132 WeakPolarHBondContact O-CB 3.18Å; F128-L132 PolarHBondContact O-N 3.49Å; F129-L132 HydrophobicContact CD1-CD2 4.35Å; F129-L132 PolarHBondContact O-N 3.01Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 3.41Å; L132-V135 HydrophobicContact CD1-CG2 4.47Å; L132-V135 WeakPolarHBondContact O-CG2 3.4Å; L132-F137 HydrophobicContact CD1-CD1 4.31Å; L132-F138 HydrophobicContact CG-CD2 4.11Å; L132-F138 VanDerWaalsContact O-CB 3.32Å; L132-F138 WeakPolarHBondContact O-CB 3.38Å; L132-F142 HydrophobicContact CD2-CE2 4.35Å; L132-F142 HydrophobicContact CD2-CZ 4.44Å; L132-L182 HydrophobicContact CD1-CD1 4.09Å; L132-L182 HydrophobicContact CD1-CD2 4.05Å; L132-L182 HydrophobicContact CD2-CD2 4.12Å
133V94.5Very high92.1Very high62 Ų6263.9 Ų63.938%0.37633%0.327SS..Hα-helixtrans-74.2-15179.8-61.80000113.8F129 E130 S131 F138F129-V133 PolarHBondContact O-N 2.94Å; F129-V133 VanDerWaalsContact O-N 3.1Å; E130-V133 WeakPolarHBondContact O-CG2 3.11Å; S131-V133 VanDerWaalsContact C-N 3.34Å; S131-V133 PolarHBondContact O-N 3.01Å; V133-F138 HydrophobicContact CB-CD2 4.48Å; V133-F138 HydrophobicContact CB-CE2 4.46Å; V133-F138 HydrophobicContact CG1-CD2 4.14Å; V133-F138 HydrophobicContact CG1-CE2 3.71Å; V133-F138 HydrophobicContact CG1-CZ 3.94Å
134Q93.6Very high92.8Very high160 Ų16066.7 Ų66.775%0.74835%0.347SS*.Hα-helixtrans-92.6-12.5-177.7-63.9-64.4-27.700113.4E130 S131 L132E130-Q134 VanDerWaalsContact O-CG 3.22Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; S131-Q134 PolarHBondContact O-N 3.37Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 3.41Å
135V92.5Very high93.3Very high41 Ų4164.4 Ų64.425%0.24833%0.332CS..SBendtrans-89.4140.7-179.6-67.50000111.5L6 L132 F137 F138L6-V135 HydrophobicContact CD2-CG1 4.37Å; L132-V135 HydrophobicContact CD1-CG2 4.47Å; L132-V135 WeakPolarHBondContact O-CG2 3.4Å; V135-F137 HydrophobicContact CG2-CB 4.04Å; V135-F137 PolarHBondContact O-N 2.84Å; V135-F138 VanDerWaalsContact O-CB 3.23Å; V135-F138 WeakPolarHBondContact O-CB 3.11Å; V135-F138 PolarHBondContact O-N 2.86Å
136P92.8Very high93.5Very high102 Ų10268.3 Ų68.366%0.66236%0.357SS*.Hα-helixtrans-56.8-23.3177.5-27.234.8000114.7F138 D139P136-F138 PolarHBondContact O-N 2.99Å; P136-D139 PolarHBondContact O-N 3.28Å
137F94.5Very high93.8Very high12 Ų1262.5 Ų62.55%0.05334%0.34CS..Hα-helixtrans-54.1-36.2172.1174.4-96.1000112.4C4 F103 L132 V135 N140 V141 H180 V181 L182C4-F137 HydrophobicContact CB-CB 3.76Å; C4-F137 HydrophobicContact CB-CD1 3.54Å; C4-F137 HydrophobicContact CB-CD2 3.48Å; C4-F137 VanDerWaalsContact CB-CD2 3.48Å; C4-F137 HydrophobicContact CB-CE1 3.92Å; C4-F137 HydrophobicContact CB-CE2 3.86Å; C4-F137 HydrophobicContact CB-CG 3.3Å; C4-F137 HydrophobicContact CB-CZ 4.07Å; F103-F137 HydrophobicContact CE2-CE1 4.37Å; F103-F137 HydrophobicContact CE2-CZ 4.23Å; L132-F137 HydrophobicContact CD1-CD1 4.31Å; V135-F137 HydrophobicContact CG2-CB 4.04Å; V135-F137 PolarHBondContact O-N 2.84Å; F137-N140 PolarHBondContact O-N 2.86Å; F137-V141 HydrophobicContact CD1-CG1 3.93Å; F137-V141 HydrophobicContact CE1-CB 4.13Å; F137-V141 HydrophobicContact CE1-CG1 3.64Å; F137-V141 HydrophobicContact CZ-CB 4.17Å; F137-V141 HydrophobicContact CZ-CG1 4.2Å; F137-V141 HydrophobicContact CZ-CG2 4.41Å; F137-V141 WeakPolarHBondContact O-CG1 3.35Å; F137-V141 PolarHBondContact O-N 3.33Å; F137-H180 HydrophobicContact CE2-CB 3.81Å; F137-H180 HydrophobicContact CZ-CB 3.91Å; F137-V181 WeakPolarHBondContact CE2-O 3.37Å; F137-V181 WeakPolarHBondContact CZ-O 3.24Å; F137-L182 HydrophobicContact CE1-CB 4.02Å; F137-L182 HydrophobicContact CE1-CD1 4.4Å; F137-L182 HydrophobicContact CZ-CB 4.11Å
138F95.2Very high94.2Very high23 Ų2357.6 Ų57.610%0.10132%0.319CS..Hα-helixtrans-57.7-51.2-179.9-174.2-95.1000112F32 L132 V133 V135 P136 N140 V141 F142F32-F138 HydrophobicContact CD1-CZ 4.16Å; F32-F138 HydrophobicContact CD2-CE2 4.34Å; F32-F138 AromaticContact CD2-CZ 3.72Å; F32-F138 HydrophobicContact CD2-CZ 3.72Å; F32-F138 HydrophobicContact CE1-CZ 4.22Å; F32-F138 HydrophobicContact CE2-CE2 4.38Å; F32-F138 AromaticContact CE2-CZ 3.78Å; F32-F138 HydrophobicContact CE2-CZ 3.78Å; F32-F138 AromaticContact CG-CZ 3.93Å; F32-F138 HydrophobicContact CG-CZ 3.93Å; F32-F138 HydrophobicContact CZ-CZ 4.04Å; L132-F138 HydrophobicContact CG-CD2 4.11Å; L132-F138 VanDerWaalsContact O-CB 3.32Å; L132-F138 WeakPolarHBondContact O-CB 3.38Å; V133-F138 HydrophobicContact CB-CD2 4.48Å; V133-F138 HydrophobicContact CB-CE2 4.46Å; V133-F138 HydrophobicContact CG1-CD2 4.14Å; V133-F138 HydrophobicContact CG1-CE2 3.71Å; V133-F138 HydrophobicContact CG1-CZ 3.94Å; V135-F138 VanDerWaalsContact O-CB 3.23Å; V135-F138 WeakPolarHBondContact O-CB 3.11Å; V135-F138 PolarHBondContact O-N 2.86Å; P136-F138 PolarHBondContact O-N 2.99Å; F138-N140 PolarHBondContact O-N 3.3Å; F138-V141 PolarHBondContact O-N 2.86Å; F138-F142 HydrophobicContact CB-CD2 4.46Å; F138-F142 HydrophobicContact CD1-CD2 4.32Å; F138-F142 AromaticContact CD2-CD2 3.2Å; F138-F142 HydrophobicContact CD2-CD2 3.2Å; F138-F142 AromaticContact CD2-CE2 3.41Å; F138-F142 HydrophobicContact CD2-CE2 3.41Å; F138-F142 VanDerWaalsContact CD2-CE2 3.41Å; F138-F142 HydrophobicContact CD2-CG 4.15Å; F138-F142 HydrophobicContact CD2-CZ 4.43Å; F138-F142 HydrophobicContact CE1-CB 4.32Å; F138-F142 HydrophobicContact CE1-CD2 4.38Å; F138-F142 HydrophobicContact CE2-CB 4.48Å; F138-F142 HydrophobicContact CE2-CD1 4.42Å; F138-F142 AromaticContact CE2-CD2 3.27Å; F138-F142 HydrophobicContact CE2-CD2 3.27Å; F138-F142 AromaticContact CE2-CE2 3.48Å; F138-F142 HydrophobicContact CE2-CE2 3.48Å; F138-F142 VanDerWaalsContact CE2-CE2 3.48Å; F138-F142 AromaticContact CE2-CG 3.83Å; F138-F142 HydrophobicContact CE2-CG 3.83Å; F138-F142 HydrophobicContact CE2-CZ 4.12Å; F138-F142 AromaticContact CG-CD2 3.77Å; F138-F142 HydrophobicContact CG-CD2 3.77Å; F138-F142 HydrophobicContact CG-CE2 4.34Å; F138-F142 HydrophobicContact CZ-CB 4.26Å; F138-F142 AromaticContact CZ-CD2 3.89Å; F138-F142 HydrophobicContact CZ-CD2 3.89Å; F138-F142 HydrophobicContact CZ-CE2 4.46Å; F138-F142 HydrophobicContact CZ-CG 4.03Å; F138-F142 WeakPolarHBondContact O-CB 3.21Å; F138-F142 WeakPolarHBondContact O-CD2 3.26Å; F138-F142 PolarHBondContact O-N 3.43Å
139D93.5Very high94.3Very high114 Ų11463.1 Ų63.161%0.6134%0.34SS*.Hα-helixtrans-60.1-35.1-178-66.3-28.7000111.8P136 K143P136-D139 PolarHBondContact O-N 3.28Å; D139-K143 WeakPolarHBondContact O-CA 3.31Å; D139-K143 WeakPolarHBondContact O-CB 3.42Å; D139-K143 PolarHBondContact O-N 3.25Å
140N93.1Very high94.5Very high85 Ų8562.3 Ų62.346%0.45534%0.336SS..Hα-helixtrans-72.2-52.7177.9-70.9-26.9000112.1D2 R101 F137 F138D2-N140 PolarHBondContact OD2-ND2 3.1Å; R101-N140 PolarHBondContact NH1-O 3.22Å; F137-N140 PolarHBondContact O-N 2.86Å; F138-N140 PolarHBondContact O-N 3.3Å
141V94.6Very high94.8Very high0 Ų059.2 Ų59.20%032%0.321CS..Hα-helixtrans-72.4-37.9-174.270.30000111.9F29 R101 F103 F137 F138 H180F29-V141 HydrophobicContact CE2-CG2 4.36Å; R101-V141 PolarHBondContact NH1-O 2.82Å; F103-V141 HydrophobicContact CB-CG2 3.92Å; F103-V141 HydrophobicContact CD1-CG2 4.05Å; F103-V141 HydrophobicContact CD2-CG2 3.43Å; F103-V141 VanDerWaalsContact CD2-CG2 3.43Å; F103-V141 HydrophobicContact CE1-CG2 4.43Å; F103-V141 HydrophobicContact CE2-CG2 3.87Å; F103-V141 HydrophobicContact CG-CG2 3.53Å; F103-V141 HydrophobicContact CZ-CG2 4.35Å; F137-V141 HydrophobicContact CD1-CG1 3.93Å; F137-V141 HydrophobicContact CE1-CB 4.13Å; F137-V141 HydrophobicContact CE1-CG1 3.64Å; F137-V141 HydrophobicContact CZ-CB 4.17Å; F137-V141 HydrophobicContact CZ-CG1 4.2Å; F137-V141 HydrophobicContact CZ-CG2 4.41Å; F137-V141 WeakPolarHBondContact O-CG1 3.35Å; F137-V141 PolarHBondContact O-N 3.33Å; F138-V141 PolarHBondContact O-N 2.86Å; V141-H180 HydrophobicContact CB-CB 3.79Å; V141-H180 HydrophobicContact CG2-CB 3.51Å
142F95.2Very high95Very high9 Ų956.7 Ų56.74%0.03930%0.303CS..THydrogen-bonded Turntrans-91.96.7179.8-65.5-85.1000113.7F29 F32 F103 L132 F138 C144F29-F142 VanDerWaalsContact CA-CE1 3.44Å; F29-F142 HydrophobicContact CB-CD1 4.34Å; F29-F142 HydrophobicContact CB-CE1 3.83Å; F29-F142 HydrophobicContact CD2-CD1 4.01Å; F29-F142 AromaticContact CD2-CE1 3.92Å; F29-F142 HydrophobicContact CD2-CE1 3.92Å; F29-F142 HydrophobicContact CG-CE1 4.34Å; F32-F142 CarbonylContact C-O 3.51Å; F32-F142 HydrophobicContact CB-CB 3.87Å; F32-F142 HydrophobicContact CB-CD1 3.84Å; F32-F142 HydrophobicContact CB-CG 4.18Å; F32-F142 HydrophobicContact CD2-CD1 4.33Å; F103-F142 HydrophobicContact CE1-CZ 4.36Å; L132-F142 HydrophobicContact CD2-CE2 4.35Å; L132-F142 HydrophobicContact CD2-CZ 4.44Å; F138-F142 HydrophobicContact CB-CD2 4.46Å; F138-F142 HydrophobicContact CD1-CD2 4.32Å; F138-F142 AromaticContact CD2-CD2 3.2Å; F138-F142 HydrophobicContact CD2-CD2 3.2Å; F138-F142 AromaticContact CD2-CE2 3.41Å; F138-F142 HydrophobicContact CD2-CE2 3.41Å; F138-F142 VanDerWaalsContact CD2-CE2 3.41Å; F138-F142 HydrophobicContact CD2-CG 4.15Å; F138-F142 HydrophobicContact CD2-CZ 4.43Å; F138-F142 HydrophobicContact CE1-CB 4.32Å; F138-F142 HydrophobicContact CE1-CD2 4.38Å; F138-F142 HydrophobicContact CE2-CB 4.48Å; F138-F142 HydrophobicContact CE2-CD1 4.42Å; F138-F142 AromaticContact CE2-CD2 3.27Å; F138-F142 HydrophobicContact CE2-CD2 3.27Å; F138-F142 AromaticContact CE2-CE2 3.48Å; F138-F142 HydrophobicContact CE2-CE2 3.48Å; F138-F142 VanDerWaalsContact CE2-CE2 3.48Å; F138-F142 AromaticContact CE2-CG 3.83Å; F138-F142 HydrophobicContact CE2-CG 3.83Å; F138-F142 HydrophobicContact CE2-CZ 4.12Å; F138-F142 AromaticContact CG-CD2 3.77Å; F138-F142 HydrophobicContact CG-CD2 3.77Å; F138-F142 HydrophobicContact CG-CE2 4.34Å; F138-F142 HydrophobicContact CZ-CB 4.26Å; F138-F142 AromaticContact CZ-CD2 3.89Å; F138-F142 HydrophobicContact CZ-CD2 3.89Å; F138-F142 HydrophobicContact CZ-CE2 4.46Å; F138-F142 HydrophobicContact CZ-CG 4.03Å; F138-F142 WeakPolarHBondContact O-CB 3.21Å; F138-F142 WeakPolarHBondContact O-CD2 3.26Å; F138-F142 PolarHBondContact O-N 3.43Å; F142-C144 PolarHBondContact O-N 3.17Å
143K94.3Very high95.2Very high142 Ų14257.2 Ų57.262%0.61731%0.305SS*.  trans-48.2118.5177.3-174.3179.2-178.8172.50111.6R101 D139R101-K143 PolarHBondContact NH1-O 3.41Å; R101-K143 PolarHBondContact NH2-O 3.42Å; D139-K143 WeakPolarHBondContact O-CA 3.31Å; D139-K143 WeakPolarHBondContact O-CB 3.42Å; D139-K143 PolarHBondContact O-N 3.25Å
144C94Very high95.3Very high89 Ų8954.2 Ų54.260%0.60129%0.287SS*.  trans-53.4142.3180-174.90000112F142F142-C144 PolarHBondContact O-N 3.17Å
145S92.8Very high95.4Very high35 Ų3546.6 Ų46.625%0.24525%0.252CS..  trans-142.7161178.964.90000110.9T33 Q35T33-S145 PolarHBondContact O-N 3.32Å; Q35-S145 PolarHBondContact NE2-O 3.13Å; Q35-S145 PolarHBondContact NE2-OG 2.84Å
146T94Very high95.5Very high96 Ų9644.7 Ų44.759%0.58924%0.24SC*.  trans-59.2138.6173.846.70000110.2Q35 T148Q35-T146 PolarHBondContact NE2-O 3.37Å; T146-T148 PolarHBondContact O-N 2.75Å
147P96.2Very high95.4Very high38 Ų3840.9 Ų40.925%0.24722%0.216CC..SBendtrans-52.1131.8179.2-35.941.8000113.4G34 G219 K221G34-P147 WeakPolarHBondContact O-CG 3.43Å; P147-G219 VanDerWaalsContact CB-C 3.45Å; P147-G219 WeakPolarHBondContact CB-O 3.34Å; P147-K221 HydrophobicContact CB-CG 4.26Å; P147-K221 HydrophobicContact CG-CB 4.24Å; P147-K221 HydrophobicContact CG-CG 3.45Å; P147-K221 VanDerWaalsContact CG-CG 3.45Å
148T96.9Very high95.3Very high35 Ų3543.8 Ų43.822%0.21523%0.229CC..  trans-152.5-173.1-169.7-162.40000110.8Q35 I92 T146 G219Q35-T148 PolarHBondContact OE1-O 2.6Å; I92-T148 HydrophobicContact CD1-CG2 4.18Å; I92-T148 HydrophobicContact CG1-CG2 3.5Å; I92-T148 VanDerWaalsContact CG1-CG2 3.5Å; T146-T148 PolarHBondContact O-N 2.75Å; T148-G219 PolarHBondContact O-N 2.87Å
149R97.4Very high95Very high119 Ų11948.8 Ų48.845%0.44926%0.256SS..EExtended strand (participates in β ladder)trans-80.3135.7177.8-64176.9-170.9164.8-1110.1G93 Y151 V216 F217 F218G93-R149 PolarHBondContact N-O 3.21Å; R149-Y151 HydrophobicContact CB-CE2 3.86Å; R149-Y151 WeakPolarHBondContact CD-OH 3.46Å; R149-V216 HydrophobicContact CB-CG1 3.95Å; R149-V216 HydrophobicContact CG-CG1 4.23Å; R149-F217 CarbonylContact C-O 3.53Å; R149-F217 VanDerWaalsContact CA-O 3.29Å; R149-F217 WeakPolarHBondContact CA-O 3.5Å; R149-F218 HydrophobicContact CG-CD1 3.86Å; R149-F218 HydrophobicContact CG-CE1 3.72Å
150T98.4Very high95Very high0 Ų044.3 Ų44.30%023%0.231CC..EExtended strand (participates in β ladder)trans-121.5132.5171.6-58.50000109.5M30 I90 M91 I152 F217M30-T150 HydrophobicContact SD-CG2 4.2Å; I90-T150 HydrophobicContact CG2-CG2 3.35Å; M91-T150 CarbonylContact O-C 3.58Å; M91-T150 VanDerWaalsContact O-CA 3.29Å; M91-T150 WeakPolarHBondContact O-CA 3.46Å; T150-I152 HydrophobicContact CG2-CD1 4.3Å; T150-F217 HydrophobicContact CG2-CD2 4.44Å; T150-F217 PolarHBondContact N-O 2.76Å; T150-F217 PolarHBondContact O-N 2.82Å
151Y98.5Very high94.9Very high26 Ų2645.3 Ų45.310%0.10225%0.245CC..EExtended strand (participates in β ladder)trans-115.8136.9-179.3-52.5-95.5000109.6M91 G94 P96 R149 V216M91-Y151 PolarHBondContact N-O 3.26Å; M91-Y151 PolarHBondContact O-N 2.6Å; G94-Y151 WeakPolarHBondContact O-CE2 3.35Å; G94-Y151 PolarHBondContact O-OH 3.03Å; P96-Y151 HydrophobicContact CG-CD1 3.72Å; P96-Y151 HydrophobicContact CG-CD2 4.17Å; P96-Y151 HydrophobicContact CG-CE1 3.95Å; P96-Y151 HydrophobicContact CG-CE2 4.38Å; P96-Y151 HydrophobicContact CG-CG 3.84Å; R149-Y151 HydrophobicContact CB-CE2 3.86Å; R149-Y151 WeakPolarHBondContact CD-OH 3.46Å; Y151-V216 HydrophobicContact CD1-CG1 4.1Å; Y151-V216 HydrophobicContact CD1-CG2 3.75Å; Y151-V216 HydrophobicContact CE1-CB 4.41Å; Y151-V216 HydrophobicContact CE1-CG1 3.81Å; Y151-V216 HydrophobicContact CE1-CG2 3.65Å
152I98.5Very high94.9Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-111.4130.2-176.9-58-58.4000109.9M26 V73 F88 I90 T150 S213 F217M26-I152 HydrophobicContact CG-CD1 4.34Å; M26-I152 HydrophobicContact SD-CD1 3.97Å; M26-I152 HydrophobicContact SD-CG1 4.24Å; V73-I152 HydrophobicContact CG1-CG2 4.13Å; F88-I152 HydrophobicContact CE1-CD1 4.18Å; F88-I152 HydrophobicContact CE1-CG2 4.03Å; F88-I152 HydrophobicContact CE2-CG2 3.52Å; F88-I152 HydrophobicContact CZ-CB 4.49Å; F88-I152 HydrophobicContact CZ-CD1 4.18Å; F88-I152 HydrophobicContact CZ-CG2 3.25Å; I90-I152 HydrophobicContact CB-CD1 4.38Å; I90-I152 HydrophobicContact CD1-CD1 4.48Å; I90-I152 HydrophobicContact CG1-CD1 3.89Å; I90-I152 HydrophobicContact CG2-CD1 4.12Å; T150-I152 HydrophobicContact CG2-CD1 4.3Å; I152-S213 WeakPolarHBondContact O-CB 3.49Å; I152-S213 PolarHBondContact O-N 3.35Å; I152-F217 HydrophobicContact CD1-CE2 4.06Å; I152-F217 HydrophobicContact CG1-CD2 4.37Å; I152-F217 HydrophobicContact CG1-CE2 3.81Å; I152-F217 HydrophobicContact CG1-CZ 4.05Å
153Y97.9Very high94.8Very high13 Ų1352.3 Ų52.35%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-133.4148.5-178.8-80.9-118000109.9L89 M91 P96 R168 F171 W210 F211 A212L89-Y153 PolarHBondContact N-O 3.35Å; L89-Y153 PolarHBondContact O-N 3.39Å; M91-Y153 HydrophobicContact CE-CD1 4.38Å; M91-Y153 HydrophobicContact CE-CD2 3.31Å; M91-Y153 HydrophobicContact CE-CE1 4.21Å; M91-Y153 HydrophobicContact CE-CE2 3.17Å; M91-Y153 HydrophobicContact CE-CG 3.98Å; P96-Y153 WeakPolarHBondContact CB-OH 3.37Å; P96-Y153 HydrophobicContact CG-CE2 4.41Å; Y153-R168 HydrophobicContact CE1-CB 4.21Å; Y153-R168 HydrophobicContact CE1-CG 3.79Å; Y153-F171 HydrophobicContact CD1-CD1 4.31Å; Y153-F171 HydrophobicContact CD1-CE1 4.31Å; Y153-F171 HydrophobicContact CD1-CG 4.47Å; Y153-F171 HydrophobicContact CD1-CZ 4.48Å; Y153-F171 HydrophobicContact CE1-CD1 4.22Å; Y153-F171 AromaticContact CE1-CD2 3.85Å; Y153-F171 HydrophobicContact CE1-CD2 3.85Å; Y153-F171 HydrophobicContact CE1-CE1 4.41Å; Y153-F171 HydrophobicContact CE1-CE2 4.07Å; Y153-F171 AromaticContact CE1-CG 3.93Å; Y153-F171 HydrophobicContact CE1-CG 3.93Å; Y153-F171 HydrophobicContact CE1-CZ 4.34Å; Y153-W210 HydrophobicContact CD1-CB 4.37Å; Y153-W210 HydrophobicContact CD1-CE3 4.37Å; Y153-F211 CarbonylContact C-O 3.5Å; Y153-F211 VanDerWaalsContact CA-O 3.22Å; Y153-F211 WeakPolarHBondContact CA-O 3.48Å; Y153-A212 HydrophobicContact CD1-CB 4.03Å; Y153-A212 HydrophobicContact CD2-CB 4.17Å; Y153-A212 HydrophobicContact CE1-CB 3.71Å; Y153-A212 HydrophobicContact CE2-CB 3.79Å; Y153-A212 HydrophobicContact CG-CB 4.25Å
154I97.3Very high95Very high0 Ų047.2 Ų47.20%027%0.272CS..EExtended strand (participates in β ladder)trans-122.3143.216958.8177.1000109.2L77 I85 Y87 F88 T156 F160 F165 W210 F211L77-I154 HydrophobicContact CD1-CG2 4.3Å; I85-I154 HydrophobicContact CG2-CB 4.4Å; I85-I154 HydrophobicContact CG2-CG2 4.45Å; Y87-I154 CarbonylContact O-C 3.58Å; Y87-I154 WeakPolarHBondContact O-CA 3.45Å; F88-I154 HydrophobicContact CD2-CG2 3.68Å; F88-I154 HydrophobicContact CE2-CG2 4.17Å; I154-T156 HydrophobicContact CB-CG2 4.23Å; I154-T156 HydrophobicContact CD1-CG2 3.84Å; I154-T156 HydrophobicContact CG1-CG2 3.94Å; I154-F160 HydrophobicContact CD1-CE1 3.84Å; I154-F160 HydrophobicContact CD1-CZ 3.87Å; I154-F165 HydrophobicContact CD1-CB 4.27Å; I154-F165 HydrophobicContact CD1-CD1 3.93Å; I154-F165 HydrophobicContact CD1-CD2 3.9Å; I154-F165 HydrophobicContact CD1-CE1 4.22Å; I154-F165 HydrophobicContact CD1-CE2 4.18Å; I154-F165 HydrophobicContact CD1-CG 3.77Å; I154-F165 HydrophobicContact CD1-CZ 4.34Å; I154-F165 HydrophobicContact CG1-CD1 4.08Å; I154-F165 HydrophobicContact CG1-CE1 4.37Å; I154-F165 HydrophobicContact CG1-CG 4.36Å; I154-F165 HydrophobicContact CG2-CE1 4.4Å; I154-W210 CarbonylContact O-C 3.5Å; I154-W210 WeakPolarHBondContact O-CA 3.15Å; I154-F211 HydrophobicContact CD1-CB 4.45Å; I154-F211 HydrophobicContact CG1-CB 3.89Å; I154-F211 PolarHBondContact N-O 3.17Å; I154-F211 PolarHBondContact O-N 2.95Å
155C95.6Very high95.1Very high0 Ų043 Ų430%024%0.244CC..EExtended strand (participates in β ladder)trans-108.5123.9170.5-171.30000108.6F86 Y87 R209 W210F86-C155 PolarHBondContact N-O 3.22Å; Y87-C155 HydrophobicContact CD2-CB 3.83Å; Y87-C155 HydrophobicContact CG-CB 4.28Å; Y87-C155 PolarHBondContact N-O 3.23Å; Y87-C155 PolarHBondContact O-N 2.99Å; C155-R209 WeakPolarHBondContact CA-O 3.47Å; C155-W210 HydrophobicContact CB-CD2 3.89Å; C155-W210 HydrophobicContact CB-CE3 3.66Å; C155-W210 HydrophobicContact CB-CH2 3.75Å; C155-W210 HydrophobicContact CB-CZ2 3.98Å; C155-W210 HydrophobicContact CB-CZ3 3.58Å
156T94.2Very high95.3Very high0 Ų044.7 Ų44.70%025%0.249CC..EExtended strand (participates in β ladder)trans-135.6173.4-172.570.10000112.1S84 I85 I154 F160 L208 R209 F211S84-T156 CarbonylContact O-C 3.56Å; S84-T156 WeakPolarHBondContact O-CA 3.1Å; S84-T156 VanDerWaalsContact O-CB 3.24Å; S84-T156 WeakPolarHBondContact O-CB 3.43Å; I85-T156 HydrophobicContact CB-CG2 4.33Å; I85-T156 HydrophobicContact CG1-CG2 3.77Å; I154-T156 HydrophobicContact CB-CG2 4.23Å; I154-T156 HydrophobicContact CD1-CG2 3.84Å; I154-T156 HydrophobicContact CG1-CG2 3.94Å; T156-F160 HydrophobicContact CG2-CB 4.46Å; T156-F160 HydrophobicContact CG2-CD1 4.05Å; T156-F160 HydrophobicContact CG2-CD2 4.18Å; T156-F160 HydrophobicContact CG2-CE1 4.31Å; T156-F160 HydrophobicContact CG2-CE2 4.44Å; T156-F160 HydrophobicContact CG2-CG 3.98Å; T156-F160 HydrophobicContact CG2-CZ 4.49Å; T156-F160 WeakPolarHBondContact OG1-CB 3.2Å; T156-F160 WeakPolarHBondContact OG1-CD1 3.28Å; T156-F160 WeakPolarHBondContact OG1-CG 3.34Å; T156-L208 CarbonylContact O-C 3.52Å; T156-L208 WeakPolarHBondContact O-CA 3.3Å; T156-R209 PolarHBondContact N-O 3.17Å; T156-R209 PolarHBondContact O-N 2.94Å; T156-F211 WeakPolarHBondContact OG1-CD2 3.35Å; T156-F211 WeakPolarHBondContact OG1-CE2 3.34Å
157S92.1Very high95.3Very high23 Ų2343.4 Ų43.416%0.16124%0.243CC..EExtended strand (participates in β ladder)trans-56.6148.9167.5176.80000111.4S84 D159 F160S84-S157 PolarHBondContact O-N 3.06Å; S157-D159 PolarHBondContact O-N 3.35Å; S157-D159 VanDerWaalsContact O-N 3.07Å; S157-D159 PolarHBondContact OG-N 2.86Å; S157-F160 WeakPolarHBondContact O-CB 3.38Å; S157-F160 PolarHBondContact O-N 3.43Å
158K90.9Very high95.3Very high73 Ų7346.8 Ų46.832%0.31725%0.251SS..THydrogen-bonded Turntrans-55.8-23.6174.571.1-176.2-177-163.20114.3E207 R209K158-E207 VanDerWaalsContact CE-OE2 3.31Å; K158-E207 WeakPolarHBondContact CE-OE2 3.03Å; K158-E207 PolarHBondContact N-O 2.77Å; K158-E207 IonicContact NZ-OE1 3.28Å; K158-E207 IonicContact NZ-OE2 3.67Å; K158-E207 PolarHBondContact NZ-OE2 2.83Å; K158-R209 HydrophobicContact CB-CG 4.26Å
159D90.6Very high94.9Very high127 Ų12750 Ų5068%0.67927%0.266SS*.THydrogen-bonded Turntrans-90.2-0.4-178.8-56.6-42.5000112.9S157 S161S157-D159 PolarHBondContact O-N 3.35Å; S157-D159 VanDerWaalsContact O-N 3.07Å; S157-D159 PolarHBondContact OG-N 2.86Å; D159-S161 PolarHBondContact O-N 3.45Å
160F93.4Very high94.6Very high21 Ų2152.4 Ų52.49%0.09228%0.282CS..  trans-63129.6175.4178.1-101.6000111.4S80 I85 I154 T156 S157 F165 F211S80-F160 VanDerWaalsContact O-CE2 3.32Å; S80-F160 WeakPolarHBondContact O-CE2 3.3Å; I85-F160 HydrophobicContact CD1-CE2 4.32Å; I85-F160 HydrophobicContact CG1-CE2 4.26Å; I154-F160 HydrophobicContact CD1-CE1 3.84Å; I154-F160 HydrophobicContact CD1-CZ 3.87Å; T156-F160 HydrophobicContact CG2-CB 4.46Å; T156-F160 HydrophobicContact CG2-CD1 4.05Å; T156-F160 HydrophobicContact CG2-CD2 4.18Å; T156-F160 HydrophobicContact CG2-CE1 4.31Å; T156-F160 HydrophobicContact CG2-CE2 4.44Å; T156-F160 HydrophobicContact CG2-CG 3.98Å; T156-F160 HydrophobicContact CG2-CZ 4.49Å; T156-F160 WeakPolarHBondContact OG1-CB 3.2Å; T156-F160 WeakPolarHBondContact OG1-CD1 3.28Å; T156-F160 WeakPolarHBondContact OG1-CG 3.34Å; S157-F160 WeakPolarHBondContact O-CB 3.38Å; S157-F160 PolarHBondContact O-N 3.43Å; F160-F165 HydrophobicContact CE1-CB 4.46Å; F160-F211 HydrophobicContact CB-CE2 4.27Å; F160-F211 HydrophobicContact CB-CZ 4.35Å; F160-F211 HydrophobicContact CD1-CD1 4.27Å; F160-F211 HydrophobicContact CD1-CD2 4.02Å; F160-F211 HydrophobicContact CD1-CE1 4.05Å; F160-F211 AromaticContact CD1-CE2 3.81Å; F160-F211 HydrophobicContact CD1-CE2 3.81Å; F160-F211 HydrophobicContact CD1-CG 4.27Å; F160-F211 AromaticContact CD1-CZ 3.82Å; F160-F211 HydrophobicContact CD1-CZ 3.82Å; F160-F211 HydrophobicContact CE1-CG 4.48Å; F160-F211 HydrophobicContact CG-CE2 4.5Å
161S90.9Very high94.4Very high105 Ų10553.5 Ų53.573%0.73429%0.287SS*.  trans-115.8124.8176.563.80000111D159D159-S161 PolarHBondContact O-N 3.45Å
162S93.4Very high94.2Very high29 Ų2958.9 Ų58.920%0.20331%0.307CS..  trans-141.2140167.4-179.90000108.4S80 W164 F165S80-S162 PolarHBondContact OG-OG 3.11Å; S162-W164 VanDerWaalsContact C-N 3.29Å; S162-W164 PolarHBondContact OG-N 2.99Å; S162-F165 PolarHBondContact OG-N 3.07Å; S162-F165 VanDerWaalsContact OG-N 3.14Å
163S94.2Very high94Very high128 Ų12859 Ų5990%0.89531%0.308SS*.SBendtrans-79-16.8173.253.80000112.5
164W97.4Very high93.8Very high35 Ų3559.8 Ų59.813%0.13331%0.314CS..SBendtrans-109.1-45.3-173-167.891.8000112.4E72 V73 N76 S162 L166 S213 P214 T215E72-W164 HydrophobicContact CG-CZ2 3.7Å; E72-W164 PolarHBondContact OE1-NE1 2.95Å; E72-W164 VanDerWaalsContact OE1-NE1 3.12Å; V73-W164 HydrophobicContact CB-CH2 4.41Å; V73-W164 HydrophobicContact CG2-CH2 3.67Å; V73-W164 HydrophobicContact CG2-CZ3 4.31Å; N76-W164 HydrophobicContact CB-CB 4.36Å; N76-W164 HydrophobicContact CB-CD2 3.58Å; N76-W164 HydrophobicContact CB-CE3 3.39Å; N76-W164 HydrophobicContact CB-CG 4.03Å; N76-W164 HydrophobicContact CB-CH2 4.42Å; N76-W164 HydrophobicContact CB-CZ3 3.83Å; N76-W164 VanDerWaalsContact ND2-CE2 3.34Å; N76-W164 PolarHBondContact ND2-NE1 3.23Å; N76-W164 VanDerWaalsContact OD1-CB 3.22Å; N76-W164 WeakPolarHBondContact OD1-CB 3.07Å; S162-W164 VanDerWaalsContact C-N 3.29Å; S162-W164 PolarHBondContact OG-N 2.99Å; W164-L166 PolarHBondContact O-N 3.03Å; W164-S213 WeakPolarHBondContact CH2-OG 3.41Å; W164-P214 HydrophobicContact CD2-CG 3.91Å; W164-P214 HydrophobicContact CE3-CG 4.34Å; W164-P214 HydrophobicContact CG-CG 4.44Å; W164-P214 HydrophobicContact CH2-CG 4.2Å; W164-P214 HydrophobicContact CZ2-CG 3.73Å; W164-P214 HydrophobicContact CZ3-CG 4.49Å; W164-P214 VanDerWaalsContact O-CD 3.32Å; W164-P214 WeakPolarHBondContact O-CD 3.22Å; W164-T215 WeakPolarHBondContact CZ2-OG1 3.2Å
165F97.4Very high93.6Very high1 Ų168.4 Ų68.40%0.00435%0.347CS..SBendtrans-72.1120.6173-78.8-75.5000110.3N76 L77 I154 F160 S162 F211N76-F165 HydrophobicContact CB-CE2 4.23Å; L77-F165 HydrophobicContact CB-CZ 4.48Å; L77-F165 HydrophobicContact CD1-CZ 4.45Å; I154-F165 HydrophobicContact CD1-CB 4.27Å; I154-F165 HydrophobicContact CD1-CD1 3.93Å; I154-F165 HydrophobicContact CD1-CD2 3.9Å; I154-F165 HydrophobicContact CD1-CE1 4.22Å; I154-F165 HydrophobicContact CD1-CE2 4.18Å; I154-F165 HydrophobicContact CD1-CG 3.77Å; I154-F165 HydrophobicContact CD1-CZ 4.34Å; I154-F165 HydrophobicContact CG1-CD1 4.08Å; I154-F165 HydrophobicContact CG1-CE1 4.37Å; I154-F165 HydrophobicContact CG1-CG 4.36Å; I154-F165 HydrophobicContact CG2-CE1 4.4Å; F160-F165 HydrophobicContact CE1-CB 4.46Å; S162-F165 PolarHBondContact OG-N 3.07Å; S162-F165 VanDerWaalsContact OG-N 3.14Å; F165-F211 HydrophobicContact CB-CB 3.92Å; F165-F211 HydrophobicContact CB-CD1 4.46Å; F165-F211 WeakPolarHBondContact O-CD1 3.31Å
166L96.4Very high93.5Very high70 Ų7074.6 Ų74.637%0.36639%0.385SS..EExtended strand (participates in β ladder)trans-94.7128.3-172.1-58-178.5000111.4W164 R168 F211 A212 P214W164-L166 PolarHBondContact O-N 3.03Å; L166-R168 PolarHBondContact O-N 2.87Å; L166-F211 CarbonylContact O-C 3.52Å; L166-F211 VanDerWaalsContact O-CA 3.26Å; L166-F211 WeakPolarHBondContact O-CA 3.24Å; L166-A212 PolarHBondContact N-O 3.22Å; L166-A212 PolarHBondContact O-N 3.41Å; L166-P214 HydrophobicContact CD1-CB 4.11Å
167P94.8Very high93.6Very high69 Ų6975 Ų7545%0.44839%0.388SS..EExtended strand (participates in β ladder)trans-64.1137.6-179.225.6-33.7000111.9L169 F211P167-L169 HydrophobicContact CB-CD2 4.31Å; P167-F211 HydrophobicContact CB-CD1 3.93Å; P167-F211 HydrophobicContact CB-CE1 3.74Å; P167-F211 HydrophobicContact CB-CZ 4.33Å; P167-F211 HydrophobicContact CG-CE1 4.33Å
168R94.4Very high93.8Very high109 Ų10977.3 Ų77.341%0.41140%0.402SS..  trans-121.869177.7-61.7-60.5-170.2-163.8-1.6110.3Y153 L166 Q170 F171 W210 A212Y153-R168 HydrophobicContact CE1-CB 4.21Å; Y153-R168 HydrophobicContact CE1-CG 3.79Å; L166-R168 PolarHBondContact O-N 2.87Å; R168-Q170 PolarHBondContact O-N 2.79Å; R168-F171 HydrophobicContact CB-CB 3.71Å; R168-F171 WeakPolarHBondContact O-CB 3.43Å; R168-F171 PolarHBondContact O-N 2.91Å; R168-W210 HydrophobicContact CB-CB 4.46Å; R168-W210 PolarHBondContact N-O 2.92Å; R168-A212 HydrophobicContact CG-CB 3.72Å
169L89.8Confident94Very high103 Ų10374 Ų7454%0.53939%0.388SS..THydrogen-bonded Turntrans-57.2-26.3-172.3-56.1-179.6000114.9P167 R209P167-L169 HydrophobicContact CB-CD2 4.31Å; L169-R209 HydrophobicContact CD2-CG 4.39Å
170Q90.8Very high94.3Very high169 Ų16969 Ų6979%0.7936%0.361SS*.THydrogen-bonded Turntrans-1030.6-179.1-60.9-179.64.200113.2R168 R172R168-Q170 PolarHBondContact O-N 2.79Å; Q170-R172 PolarHBondContact O-N 3.28Å
171F93.7Very high94.4Very high23 Ų2368 Ų6810%0.10136%0.356CS..  trans-66.3130.1-178.2175.4-98.5000110.5L89 M91 P96 Y153 R168 L173 W210L89-F171 HydrophobicContact CD2-CE1 3.83Å; L89-F171 HydrophobicContact CD2-CZ 3.83Å; M91-F171 HydrophobicContact CE-CE2 3.74Å; M91-F171 HydrophobicContact CE-CZ 3.72Å; M91-F171 HydrophobicContact SD-CE2 3.83Å; M91-F171 HydrophobicContact SD-CZ 3.65Å; P96-F171 HydrophobicContact CB-CE2 4.29Å; Y153-F171 HydrophobicContact CD1-CD1 4.31Å; Y153-F171 HydrophobicContact CD1-CE1 4.31Å; Y153-F171 HydrophobicContact CD1-CG 4.47Å; Y153-F171 HydrophobicContact CD1-CZ 4.48Å; Y153-F171 HydrophobicContact CE1-CD1 4.22Å; Y153-F171 AromaticContact CE1-CD2 3.85Å; Y153-F171 HydrophobicContact CE1-CD2 3.85Å; Y153-F171 HydrophobicContact CE1-CE1 4.41Å; Y153-F171 HydrophobicContact CE1-CE2 4.07Å; Y153-F171 AromaticContact CE1-CG 3.93Å; Y153-F171 HydrophobicContact CE1-CG 3.93Å; Y153-F171 HydrophobicContact CE1-CZ 4.34Å; R168-F171 HydrophobicContact CB-CB 3.71Å; R168-F171 WeakPolarHBondContact O-CB 3.43Å; R168-F171 PolarHBondContact O-N 2.91Å; F171-L173 HydrophobicContact CZ-CB 4.47Å; F171-L173 HydrophobicContact CZ-CD1 4.27Å; F171-W210 HydrophobicContact CB-CB 4.37Å; F171-W210 HydrophobicContact CD1-CB 3.9Å; F171-W210 AromaticContact CD1-CD1 3.58Å; F171-W210 AromaticContact CD1-CD2 3.99Å; F171-W210 HydrophobicContact CD1-CD2 3.99Å; F171-W210 AromaticContact CD1-CG 3.53Å; F171-W210 HydrophobicContact CD1-CG 3.53Å; F171-W210 HydrophobicContact CE1-CD2 4.07Å; F171-W210 HydrophobicContact CE1-CG 4.11Å
172R93.9Very high94.6Very high138 Ų13863 Ų6352%0.52132%0.321SS..  trans-140.3134.6169-60.3176.9-171.4100.1-1.2105.8Q170Q170-R172 PolarHBondContact O-N 3.28Å
173L95Very high94.6Very high4 Ų462.2 Ų62.22%0.02131%0.314CS..  trans-67.8136.3175.1-168.668.6000108.8M91 P99 A102 F171 R175 C177 V179 L201 Y202M91-L173 HydrophobicContact CG-CD1 4.28Å; M91-L173 HydrophobicContact SD-CD1 3.74Å; P99-L173 HydrophobicContact CG-CD1 3.79Å; A102-L173 HydrophobicContact CB-CD1 4.11Å; A102-L173 HydrophobicContact CB-CD2 3.73Å; F171-L173 HydrophobicContact CZ-CB 4.47Å; F171-L173 HydrophobicContact CZ-CD1 4.27Å; L173-R175 PolarHBondContact O-N 3Å; L173-C177 HydrophobicContact CD1-CB 4.37Å; L173-C177 HydrophobicContact CD2-CB 4.49Å; L173-C177 HydrophobicContact CG-CB 4.21Å; L173-V179 HydrophobicContact CD2-CG1 4.37Å; L173-V179 HydrophobicContact CD2-CG2 3.41Å; L173-V179 VanDerWaalsContact CD2-CG2 3.41Å; L173-L201 HydrophobicContact CD2-CD2 4.13Å; L173-L201 PolarHBondContact N-O 3.46Å; L173-Y202 HydrophobicContact CB-CD1 4.47Å; L173-Y202 HydrophobicContact CB-CE1 4.29Å; L173-Y202 VanDerWaalsContact O-CD1 3.24Å; L173-Y202 WeakPolarHBondContact O-CD1 3.39Å
174P94.3Very high94.6Very high28 Ų2856.1 Ų56.118%0.18227%0.272CS..  trans-62.5133.3174.9-23.534.5000110.9S97 T176 C177S97-P174 WeakPolarHBondContact O-CG 3.48Å; P174-T176 PolarHBondContact O-N 3.39Å; P174-T176 VanDerWaalsContact O-N 3.08Å; P174-C177 VanDerWaalsContact O-CB 3.25Å; P174-C177 WeakPolarHBondContact O-CB 3.36Å; P174-C177 PolarHBondContact O-N 3.36Å
175R93.5Very high94.2Very high181 Ų18154.8 Ų54.868%0.68327%0.267SS*.THydrogen-bonded Turntrans-61.1-19.3178.5-68.2-174.4178.5-172.1-0.5113.9L173 C177 Y202L173-R175 PolarHBondContact O-N 3Å; R175-C177 VanDerWaalsContact C-N 3.34Å; R175-Y202 HydrophobicContact CG-CD1 3.75Å; R175-Y202 HydrophobicContact CG-CE1 4.15Å; R175-Y202 HydrophobicContact CG-CG 4.19Å
176T93.6Very high93.7Very high131 Ų13155.2 Ų55.280%0.80427%0.27SS*.THydrogen-bonded Turntrans-81.5-11.7175.8520000113.3P174 P178P174-T176 PolarHBondContact O-N 3.39Å; P174-T176 VanDerWaalsContact O-N 3.08Å; T176-P178 WeakPolarHBondContact O-CD 3.36Å
177C95.3Very high92.9Very high9 Ų955 Ų556%0.06127%0.269CS..SBendtrans-73.9127.5178.7-174.80000110.6P99 L173 P174 R175 V179P99-C177 HydrophobicContact CG-CB 4.31Å; P99-C177 PolarHBondContact O-SG 3.02Å; L173-C177 HydrophobicContact CD1-CB 4.37Å; L173-C177 HydrophobicContact CD2-CB 4.49Å; L173-C177 HydrophobicContact CG-CB 4.21Å; P174-C177 VanDerWaalsContact O-CB 3.25Å; P174-C177 WeakPolarHBondContact O-CB 3.36Å; P174-C177 PolarHBondContact O-N 3.36Å; R175-C177 VanDerWaalsContact C-N 3.34Å; C177-V179 WeakPolarHBondContact O-CG2 3.12Å; C177-V179 PolarHBondContact O-N 3.07Å
178P95.4Very high91.3Very high71 Ų7161 Ų6146%0.46128%0.284SS..  trans-61.4123.5166.7-21.233.4000110.9K100 R101 A102 T176K100-P178 WeakPolarHBondContact O-CD 3.38Å; R101-P178 WeakPolarHBondContact CA-O 3.34Å; A102-P178 PolarHBondContact N-O 3.17Å; T176-P178 WeakPolarHBondContact O-CD 3.36Å
179V95.8Very high89.8Confident3 Ų358.9 Ų58.92%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-117.6128.4-179.7-165.40000110.1M1 D2 A102 L173 C177 V181 L201 Y202M1-V179 CarbonylContact C-O 3.56Å; M1-V179 WeakPolarHBondContact CA-O 3.36Å; M1-V179 HydrophobicContact CG-CB 4.38Å; D2-V179 PolarHBondContact N-O 3.3Å; A102-V179 HydrophobicContact CB-CG1 4.2Å; A102-V179 HydrophobicContact CB-CG2 4.29Å; A102-V179 WeakPolarHBondContact O-CA 3.45Å; L173-V179 HydrophobicContact CD2-CG1 4.37Å; L173-V179 HydrophobicContact CD2-CG2 3.41Å; L173-V179 VanDerWaalsContact CD2-CG2 3.41Å; C177-V179 WeakPolarHBondContact O-CG2 3.12Å; C177-V179 PolarHBondContact O-N 3.07Å; V179-V181 HydrophobicContact CG1-CG2 4.07Å; V179-L201 HydrophobicContact CG1-CD1 4.11Å; V179-Y202 WeakPolarHBondContact CG2-OH 3.38Å
180H96.3Very high88.1Confident23 Ų2362.4 Ų62.411%0.10630%0.3CS..EExtended strand (participates in β ladder)trans-107.5132.6167.6-56.6-89000108.2D2 A102 F103 L104 F137 V141D2-H180 WeakPolarHBondContact CB-ND1 3.41Å; D2-H180 CarbonylContact O-C 3.57Å; D2-H180 WeakPolarHBondContact O-CA 3.34Å; D2-H180 IonicContact OD2-ND1 3.88Å; D2-H180 PolarHBondContact OD2-ND1 3.32Å; A102-H180 PolarHBondContact O-N 3.32Å; F103-H180 WeakPolarHBondContact CA-O 3.44Å; F103-H180 HydrophobicContact CD2-CB 4.41Å; L104-H180 PolarHBondContact N-O 3.19Å; F137-H180 HydrophobicContact CE2-CB 3.81Å; F137-H180 HydrophobicContact CZ-CB 3.91Å; V141-H180 HydrophobicContact CB-CB 3.79Å; V141-H180 HydrophobicContact CG2-CB 3.51Å
181V95.7Very high86.5Confident0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-120.1121.9-178.7-177.70000109.1M1 D2 F3 C4 L104 F137 V179 L197M1-V181 HydrophobicContact CG-CG2 3.86Å; M1-V181 HydrophobicContact SD-CG2 3.81Å; D2-V181 PolarHBondContact O-N 2.75Å; F3-V181 WeakPolarHBondContact CA-O 3.43Å; F3-V181 HydrophobicContact CD2-CB 3.72Å; F3-V181 HydrophobicContact CD2-CG1 3.72Å; F3-V181 HydrophobicContact CE2-CB 4.29Å; F3-V181 HydrophobicContact CE2-CG1 3.76Å; C4-V181 PolarHBondContact N-O 2.77Å; L104-V181 HydrophobicContact CB-CG1 4.45Å; L104-V181 HydrophobicContact CB-CG2 4.16Å; L104-V181 HydrophobicContact CD2-CG1 4.1Å; L104-V181 HydrophobicContact CD2-CG2 4.17Å; L104-V181 CarbonylContact O-C 3.59Å; L104-V181 WeakPolarHBondContact O-CA 3.38Å; F137-V181 WeakPolarHBondContact CE2-O 3.37Å; F137-V181 WeakPolarHBondContact CZ-O 3.24Å; V179-V181 HydrophobicContact CG1-CG2 4.07Å; V181-L197 HydrophobicContact CG1-CD1 4.04Å
182L95.5Very high85.1Confident0 Ų061.1 Ų61.10%030%0.303CS..EExtended strand (participates in β ladder)trans-104.3106.8168.8176.261.2000108.3C4 L6 I25 F103 L104 I105 D106 F128 L132 F137 I184C4-L182 HydrophobicContact CB-CD1 4.33Å; C4-L182 CarbonylContact O-C 3.58Å; C4-L182 WeakPolarHBondContact O-CA 3.46Å; L6-L182 HydrophobicContact CB-CD1 4.45Å; L6-L182 HydrophobicContact CD1-CD1 3.99Å; L6-L182 HydrophobicContact CG-CD1 4.27Å; I25-L182 HydrophobicContact CD1-CD2 4.48Å; F103-L182 HydrophobicContact CE2-CB 3.59Å; F103-L182 HydrophobicContact CE2-CD2 4.45Å; F103-L182 HydrophobicContact CZ-CB 4Å; F103-L182 HydrophobicContact CZ-CD2 4.03Å; L104-L182 PolarHBondContact O-N 3.01Å; I105-L182 WeakPolarHBondContact CA-O 3.44Å; D106-L182 PolarHBondContact N-O 3.08Å; F128-L182 HydrophobicContact CZ-CD2 4.06Å; L132-L182 HydrophobicContact CD1-CD1 4.09Å; L132-L182 HydrophobicContact CD1-CD2 4.05Å; L132-L182 HydrophobicContact CD2-CD2 4.12Å; F137-L182 HydrophobicContact CE1-CB 4.02Å; F137-L182 HydrophobicContact CE1-CD1 4.4Å; F137-L182 HydrophobicContact CZ-CB 4.11Å; L182-I184 HydrophobicContact CD2-CG1 4.45Å; L182-I184 HydrophobicContact CG-CG1 4.12Å
183K93.9Very high83.8Confident12 Ų1258.6 Ų58.65%0.05230%0.3CS..EExtended strand (participates in β ladder)trans-87.6120.6170.4-171174.4-178.2-177.50109.2F3 C4 C5 L6 D106 D109 V185 S191F3-K183 HydrophobicContact CE1-CB 4.49Å; F3-K183 HydrophobicContact CE2-CB 3.85Å; F3-K183 HydrophobicContact CZ-CB 3.49Å; F3-K183 VanDerWaalsContact CZ-CB 3.49Å; F3-K183 HydrophobicContact CZ-CD 4.01Å; F3-K183 HydrophobicContact CZ-CG 4.33Å; C4-K183 PolarHBondContact O-N 3.15Å; C5-K183 CarbonylContact C-O 3.23Å; C5-K183 WeakPolarHBondContact CA-O 3.46Å; L6-K183 PolarHBondContact N-O 2.96Å; D106-K183 HydrophobicContact CB-CB 4.27Å; D106-K183 HydrophobicContact CB-CG 4.21Å; D109-K183 VanDerWaalsContact CG-CE 3.49Å; D109-K183 VanDerWaalsContact CG-NZ 3.31Å; D109-K183 IonicContact OD1-NZ 2.77Å; D109-K183 PolarHBondContact OD1-NZ 3.45Å; D109-K183 VanDerWaalsContact OD1-NZ 3.1Å; D109-K183 WeakPolarHBondContact OD2-CE 3.34Å; D109-K183 IonicContact OD2-NZ 3.4Å; D109-K183 PolarHBondContact OD2-NZ 3.25Å; K183-V185 HydrophobicContact CD-CG1 4.06Å; K183-V185 HydrophobicContact CG-CG1 3.84Å; K183-S191 PolarHBondContact NZ-O 2.89Å
184I93Very high82.6Confident0 Ų062.1 Ų62.10%032%0.323CS..EExtended strand (participates in β ladder)trans-101.1123.6177-56.5171.6000106.5L6 V8 L21 I25 I105 D106 I107 F110 F128 L182L6-I184 WeakPolarHBondContact O-CA 3.49Å; V8-I184 HydrophobicContact CB-CG2 3.83Å; V8-I184 HydrophobicContact CG2-CG2 4.08Å; L21-I184 HydrophobicContact CD2-CD1 3.94Å; L21-I184 HydrophobicContact CD2-CG2 4.24Å; L21-I184 HydrophobicContact CG-CD1 4.42Å; I25-I184 HydrophobicContact CD1-CD1 3.71Å; I105-I184 HydrophobicContact CG2-CD1 3.56Å; I105-I184 HydrophobicContact CG2-CG1 4.33Å; D106-I184 PolarHBondContact O-N 2.65Å; I107-I184 HydrophobicContact CG2-CB 4.27Å; I107-I184 HydrophobicContact CG2-CD1 4.06Å; F110-I184 HydrophobicContact CE2-CB 4.48Å; F110-I184 HydrophobicContact CE2-CG2 4.02Å; F110-I184 WeakPolarHBondContact CE2-O 3.41Å; F110-I184 HydrophobicContact CZ-CG2 4.37Å; F128-I184 HydrophobicContact CE2-CD1 4.34Å; F128-I184 HydrophobicContact CE2-CG1 3.91Å; F128-I184 HydrophobicContact CE2-CG2 4.12Å; F128-I184 HydrophobicContact CZ-CD1 3.79Å; F128-I184 HydrophobicContact CZ-CG1 3.8Å; L182-I184 HydrophobicContact CD2-CG1 4.45Å; L182-I184 HydrophobicContact CG-CG1 4.12Å
185V89.9Confident81.7Confident7 Ų769 Ų694%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-122.9154.8-175-60.10000111.8C5 L6 P7 V8 D109 K183C5-V185 VanDerWaalsContact SG-CG1 3.54Å; L6-V185 PolarHBondContact O-N 3.36Å; P7-V185 CarbonylContact C-O 3.44Å; P7-V185 WeakPolarHBondContact CA-O 3.31Å; P7-V185 HydrophobicContact CB-CG2 4.39Å; V8-V185 PolarHBondContact N-O 3.14Å; D109-V185 VanDerWaalsContact OD2-CG1 3.29Å; D109-V185 WeakPolarHBondContact OD2-CG1 3.36Å; K183-V185 HydrophobicContact CD-CG1 4.06Å; K183-V185 HydrophobicContact CG-CG1 3.84Å
186P86.7Confident81.3Confident10 Ų1064.1 Ų64.17%0.06534%0.335CS..  trans-56.6158.7160.4-22.733.9000111.7V10 F110 Y188 I189V10-P186 WeakPolarHBondContact O-CA 3.2Å; F110-P186 HydrophobicContact CD1-CG 4.13Å; F110-P186 HydrophobicContact CE1-CB 4.36Å; F110-P186 HydrophobicContact CE1-CG 3.64Å; F110-P186 HydrophobicContact CZ-CG 3.97Å; P186-Y188 PolarHBondContact O-N 2.92Å; P186-I189 HydrophobicContact CB-CD1 4.31Å; P186-I189 HydrophobicContact CB-CG1 4.33Å; P186-I189 HydrophobicContact CG-CD1 3.72Å; P186-I189 HydrophobicContact CG-CG1 4.26Å
187D79.2Confident81.1Confident64 Ų6458.1 Ų58.134%0.34230%0.298SS..THydrogen-bonded Turntrans-59.9-9.8-177.3-67.6-17.1000115.3G9 V10G9-D187 VanDerWaalsContact C-CG 3.46Å; G9-D187 VanDerWaalsContact C-OD1 3.31Å; G9-D187 WeakPolarHBondContact CA-OD1 3.33Å; G9-D187 WeakPolarHBondContact CA-OD2 3.42Å; G9-D187 PolarHBondContact N-OD1 3.16Å; V10-D187 PolarHBondContact N-OD1 3.01Å; V10-D187 PolarHBondContact N-OD2 3.02Å
188Y61.3Low80.8Confident197 Ų19761 Ų6177%0.77331%0.31SS*.THydrogen-bonded Turntrans-137.464.1-177.4-67.5-82.8000112.3P186P186-Y188 PolarHBondContact O-N 2.92Å
189I64.2Low80.5Confident64 Ų6462.4 Ų62.433%0.32831%0.309SS..  trans-139.8125.4166.8-61-172.6000110.8D109 P186D109-I189 HydrophobicContact CB-CD1 4.02Å; P186-I189 HydrophobicContact CB-CD1 4.31Å; P186-I189 HydrophobicContact CB-CG1 4.33Å; P186-I189 HydrophobicContact CG-CD1 3.72Å; P186-I189 HydrophobicContact CG-CG1 4.26Å
190D54.1Low80.3Confident177 Ų17762.4 Ų62.495%0.94731%0.309SS*.  trans-111.116.3-177.9-145.68.5000112.8
191S56.1Low80.2Confident82 Ų8261.3 Ų61.357%0.57330%0.304SS*.  trans-107.8108-177.868.40000112.8K183K183-S191 PolarHBondContact NZ-O 2.89Å
192H64.6Low80Confident83 Ų8362.8 Ų62.838%0.38431%0.31SS..  trans-102.4128.8163.6170.7-100.4000109.9F3 P194F3-H192 AromaticContact CD2-NE2 3.78Å; F3-H192 AromaticContact CE1-CD2 3.62Å; F3-H192 AromaticContact CE1-NE2 3.94Å; F3-H192 AromaticContact CE2-CD2 3.49Å; F3-H192 VanDerWaalsContact CE2-CD2 3.49Å; F3-H192 WeakPolarHBondContact CE2-CD2 3.44Å; F3-H192 AromaticContact CE2-NE2 3.42Å; F3-H192 WeakPolarHBondContact CE2-NE2 3.26Å; F3-H192 AromaticContact CZ-CD2 3.12Å; F3-H192 WeakPolarHBondContact CZ-CD2 3.5Å; F3-H192 AromaticContact CZ-NE2 3.52Å; H192-P194 VanDerWaalsContact CE1-CB 3.46Å; H192-P194 WeakPolarHBondContact CE1-CB 2.93Å; H192-P194 VanDerWaalsContact CE1-CD 3.48Å; H192-P194 WeakPolarHBondContact CE1-CD 3.23Å; H192-P194 WeakPolarHBondContact CE1-CG 3.33Å; H192-P194 WeakPolarHBondContact ND1-CD 3.43Å
193N66.9Low79.6Confident84 Ų8466.6 Ų66.645%0.44933%0.327SS..  trans-116.694.4172.3-171-2.3000110.9K195 E196N193-K195 PolarHBondContact O-N 2.87Å; N193-K195 VanDerWaalsContact O-N 3.13Å; N193-K195 PolarHBondContact OD1-N 3.29Å; N193-E196 PolarHBondContact O-N 3.1Å
194P70.3Confident78.7Confident78 Ų7869.3 Ų69.351%0.50635%0.348SS..Hα-helixtrans-61.6-25.5-1771.31.4000113.7H192 E196 H198H192-P194 VanDerWaalsContact CE1-CB 3.46Å; H192-P194 WeakPolarHBondContact CE1-CB 2.93Å; H192-P194 VanDerWaalsContact CE1-CD 3.48Å; H192-P194 WeakPolarHBondContact CE1-CD 3.23Å; H192-P194 WeakPolarHBondContact CE1-CG 3.33Å; H192-P194 WeakPolarHBondContact ND1-CD 3.43Å; P194-E196 VanDerWaalsContact C-N 3.28Å; P194-E196 PolarHBondContact O-N 3.4Å; P194-H198 PolarHBondContact O-N 3.1Å
195K75.4Confident77.8Confident173 Ų17370 Ų7075%0.75235%0.353SS*.Hα-helixtrans-67.4-31.3-176.9-67.2-179.1177.6177.80112N193 K199N193-K195 PolarHBondContact O-N 2.87Å; N193-K195 VanDerWaalsContact O-N 3.13Å; N193-K195 PolarHBondContact OD1-N 3.29Å; K195-K199 PolarHBondContact O-N 2.8Å
196E84.6Confident77.2Confident79 Ų7973.8 Ų73.837%0.36938%0.379SS..Hα-helixtrans-69-46.6-179.5-167175.7177.100111.1N108 N193 P194 H198 K199 I200N108-E196 PolarHBondContact ND2-OE1 3.33Å; N193-E196 PolarHBondContact O-N 3.1Å; P194-E196 VanDerWaalsContact C-N 3.28Å; P194-E196 PolarHBondContact O-N 3.4Å; E196-H198 VanDerWaalsContact C-N 3.32Å; E196-H198 PolarHBondContact O-N 3.29Å; E196-K199 WeakPolarHBondContact O-CB 3.42Å; E196-K199 PolarHBondContact O-N 3.49Å; E196-K199 VanDerWaalsContact O-N 3.1Å; E196-I200 HydrophobicContact CG-CD1 3.8Å; E196-I200 WeakPolarHBondContact O-CD1 3.48Å; E196-I200 WeakPolarHBondContact O-CG1 3.12Å; E196-I200 PolarHBondContact O-N 3.04Å
197L89Confident77.3Confident4 Ų477.9 Ų77.92%0.02140%0.397CS..Hα-helixtrans-59.6-40178-69.8174.7000112.8F3 Y87 L104 V181 K199 I200 L201F3-L197 HydrophobicContact CD2-CD1 4.13Å; F3-L197 HydrophobicContact CE2-CD1 3.86Å; Y87-L197 HydrophobicContact CD1-CD2 4.38Å; Y87-L197 HydrophobicContact CE1-CD2 3.71Å; L104-L197 HydrophobicContact CD2-CD2 3.82Å; V181-L197 HydrophobicContact CG1-CD1 4.04Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 2.87Å; L197-I200 PolarHBondContact O-N 3.18Å; L197-L201 WeakPolarHBondContact O-CB 3.39Å; L197-L201 WeakPolarHBondContact O-CG 3.39Å; L197-L201 PolarHBondContact O-N 3.42Å
198H89Confident77.9Confident71 Ų7176.3 Ų76.333%0.32939%0.389SS..Hα-helixtrans-60.4-45176.2-174.2-81.4000111.3P194 E196 Y202 E203P194-H198 PolarHBondContact O-N 3.1Å; E196-H198 VanDerWaalsContact C-N 3.32Å; E196-H198 PolarHBondContact O-N 3.29Å; H198-Y202 HydrophobicContact CB-CD2 4.43Å; H198-Y202 AromaticContact CD2-CD2 3.47Å; H198-Y202 VanDerWaalsContact CD2-CD2 3.47Å; H198-Y202 WeakPolarHBondContact CD2-CD2 3.38Å; H198-Y202 AromaticContact CD2-CE2 3.9Å; H198-Y202 AromaticContact CG-CD2 3.82Å; H198-Y202 AromaticContact NE2-CD2 3.67Å; H198-Y202 WeakPolarHBondContact O-CB 3.32Å; H198-Y202 WeakPolarHBondContact O-CD2 3.18Å; H198-Y202 PolarHBondContact O-N 3.39Å; H198-E203 IonicContact CE1-OE1 2.6Å; H198-E203 IonicContact ND1-OE1 3.1Å; H198-E203 PolarHBondContact ND1-OE1 2.65Å
199K89.9Confident79.4Confident100 Ų10071.8 Ų71.844%0.43537%0.37SS..Hα-helixtrans-63.5-41177.8-176175.7-177.3-176.10111.7K195 E196 L197 E203 P205K195-K199 PolarHBondContact O-N 2.8Å; E196-K199 WeakPolarHBondContact O-CB 3.42Å; E196-K199 PolarHBondContact O-N 3.49Å; E196-K199 VanDerWaalsContact O-N 3.1Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 2.87Å; K199-E203 HydrophobicContact CG-CB 4.13Å; K199-E203 CarbonylContact O-C 3.41Å; K199-E203 VanDerWaalsContact O-C 3.23Å; K199-E203 VanDerWaalsContact O-CA 3.25Å; K199-E203 WeakPolarHBondContact O-CA 3.36Å; K199-E203 WeakPolarHBondContact O-CB 3.33Å; K199-E203 PolarHBondContact O-N 3.49Å; K199-P205 HydrophobicContact CG-CB 4.47Å
200I91.3Very high80.9Confident3 Ų369.1 Ų69.12%0.01536%0.356CS..Hα-helixtrans-69.5-40.3-178.4-68153.9000112.5Y87 E196 L197 L208 W210Y87-I200 HydrophobicContact CD2-CD1 4.24Å; Y87-I200 HydrophobicContact CD2-CG2 4.03Å; Y87-I200 HydrophobicContact CE1-CD1 4.09Å; Y87-I200 HydrophobicContact CE2-CD1 3.33Å; Y87-I200 HydrophobicContact CE2-CG1 4.21Å; Y87-I200 HydrophobicContact CE2-CG2 4.2Å; Y87-I200 HydrophobicContact CG-CG2 4.47Å; Y87-I200 WeakPolarHBondContact OH-CD1 3.49Å; E196-I200 HydrophobicContact CG-CD1 3.8Å; E196-I200 WeakPolarHBondContact O-CD1 3.48Å; E196-I200 WeakPolarHBondContact O-CG1 3.12Å; E196-I200 PolarHBondContact O-N 3.04Å; L197-I200 PolarHBondContact O-N 3.18Å; I200-L208 HydrophobicContact CD1-CD1 4.45Å; I200-L208 HydrophobicContact CG1-CD1 4.09Å; I200-W210 HydrophobicContact CG2-CZ2 3.78Å; I200-W210 PolarHBondContact O-NE1 2.66Å
201L93Very high83Confident0 Ų061.2 Ų61.20%031%0.314CS..Hα-helixtrans-80.6-41.8-175.8-72.5171.2000112.9M1 L104 L173 V179 L197 W210M1-L201 HydrophobicContact CE-CD1 3.5Å; L104-L201 HydrophobicContact CD1-CD2 4.19Å; L104-L201 HydrophobicContact CD2-CD1 4.26Å; L104-L201 HydrophobicContact CD2-CD2 4.16Å; L104-L201 HydrophobicContact CD2-CG 4.34Å; L173-L201 HydrophobicContact CD2-CD2 4.13Å; L173-L201 PolarHBondContact N-O 3.46Å; V179-L201 HydrophobicContact CG1-CD1 4.11Å; L197-L201 WeakPolarHBondContact O-CB 3.39Å; L197-L201 WeakPolarHBondContact O-CG 3.39Å; L197-L201 PolarHBondContact O-N 3.42Å; L201-W210 HydrophobicContact CD2-CZ2 4.23Å
202Y92.5Very high85Confident30 Ų3057.4 Ų57.412%0.11829%0.287CS..Hα-helixtrans-111.9-13.2-167.6-53.3-61.8000113.5M1 L173 R175 V179 H198M1-Y202 HydrophobicContact CE-CE2 4.09Å; L173-Y202 HydrophobicContact CB-CD1 4.47Å; L173-Y202 HydrophobicContact CB-CE1 4.29Å; L173-Y202 VanDerWaalsContact O-CD1 3.24Å; L173-Y202 WeakPolarHBondContact O-CD1 3.39Å; R175-Y202 HydrophobicContact CG-CD1 3.75Å; R175-Y202 HydrophobicContact CG-CE1 4.15Å; R175-Y202 HydrophobicContact CG-CG 4.19Å; V179-Y202 WeakPolarHBondContact CG2-OH 3.38Å; H198-Y202 HydrophobicContact CB-CD2 4.43Å; H198-Y202 AromaticContact CD2-CD2 3.47Å; H198-Y202 VanDerWaalsContact CD2-CD2 3.47Å; H198-Y202 WeakPolarHBondContact CD2-CD2 3.38Å; H198-Y202 AromaticContact CD2-CE2 3.9Å; H198-Y202 AromaticContact CG-CD2 3.82Å; H198-Y202 AromaticContact NE2-CD2 3.67Å; H198-Y202 WeakPolarHBondContact O-CB 3.32Å; H198-Y202 WeakPolarHBondContact O-CD2 3.18Å; H198-Y202 PolarHBondContact O-N 3.39Å
203E87.7Confident86.6Confident80 Ų8053.9 Ų53.937%0.37427%0.272SS..SBendtrans-118.3167.6178.1-54.2167.8-154.900109.4H198 K199 P205H198-E203 IonicContact CE1-OE1 2.6Å; H198-E203 IonicContact ND1-OE1 3.1Å; H198-E203 PolarHBondContact ND1-OE1 2.65Å; K199-E203 HydrophobicContact CG-CB 4.13Å; K199-E203 CarbonylContact O-C 3.41Å; K199-E203 VanDerWaalsContact O-C 3.23Å; K199-E203 VanDerWaalsContact O-CA 3.25Å; K199-E203 WeakPolarHBondContact O-CA 3.36Å; K199-E203 WeakPolarHBondContact O-CB 3.33Å; K199-E203 PolarHBondContact O-N 3.49Å; E203-P205 WeakPolarHBondContact O-CD 3.25Å
204S73.6Confident88Confident69 Ų6952.8 Ų52.848%0.48327%0.269SS..  trans-103.991.4176-173.60000107.3
205P74.3Confident89.3Confident15 Ų1550.1 Ų50.110%0.09725%0.251CS..  trans-61.1139.8177.125.3-35.2000110.6K199 E203 E207 L208K199-P205 HydrophobicContact CG-CB 4.47Å; E203-P205 WeakPolarHBondContact O-CD 3.25Å; P205-E207 VanDerWaalsContact C-N 3.27Å; P205-E207 PolarHBondContact O-N 3.44Å; P205-L208 HydrophobicContact CB-CB 4.29Å; P205-L208 HydrophobicContact CG-CB 3.72Å; P205-L208 HydrophobicContact CG-CD1 4.46Å; P205-L208 HydrophobicContact CG-CG 4.42Å
206S77.6Confident90.3Very high86 Ų8643.6 Ų43.660%0.60123%0.226SC*.SBendtrans-64-31.9-176.560.10000113.5
207E88.4Confident91Very high96 Ų9639.8 Ų39.845%0.44921%0.208SC..SBendtrans-98.6-12.4-173.4-54.3-45.7120.700114K158 P205K158-E207 VanDerWaalsContact CE-OE2 3.31Å; K158-E207 WeakPolarHBondContact CE-OE2 3.03Å; K158-E207 PolarHBondContact N-O 2.77Å; K158-E207 IonicContact NZ-OE1 3.28Å; K158-E207 IonicContact NZ-OE2 3.67Å; K158-E207 PolarHBondContact NZ-OE2 2.83Å; P205-E207 VanDerWaalsContact C-N 3.27Å; P205-E207 PolarHBondContact O-N 3.44Å
208L92.4Very high91.3Very high32 Ų3245.3 Ų45.317%0.16823%0.232CC..EExtended strand (participates in β ladder)trans-119148.7-177.9-53.3177.5000111.4F86 Y87 T156 I200 P205F86-L208 HydrophobicContact CD2-CD2 3.55Å; F86-L208 HydrophobicContact CE2-CD2 3.37Å; F86-L208 HydrophobicContact CZ-CD2 4.46Å; Y87-L208 HydrophobicContact CE2-CD1 4.49Å; T156-L208 CarbonylContact O-C 3.52Å; T156-L208 WeakPolarHBondContact O-CA 3.3Å; I200-L208 HydrophobicContact CD1-CD1 4.45Å; I200-L208 HydrophobicContact CG1-CD1 4.09Å; P205-L208 HydrophobicContact CB-CB 4.29Å; P205-L208 HydrophobicContact CG-CB 3.72Å; P205-L208 HydrophobicContact CG-CD1 4.46Å; P205-L208 HydrophobicContact CG-CG 4.42Å
209R93.4Very high91.7Very high101 Ų10142.8 Ų42.838%0.38123%0.225SC..EExtended strand (participates in β ladder)trans-136.7140.5179.9-66.5-176.2-177.9177.92.5110.8C155 T156 K158 L169 F211C155-R209 WeakPolarHBondContact CA-O 3.47Å; T156-R209 PolarHBondContact N-O 3.17Å; T156-R209 PolarHBondContact O-N 2.94Å; K158-R209 HydrophobicContact CB-CG 4.26Å; L169-R209 HydrophobicContact CD2-CG 4.39Å; R209-F211 HydrophobicContact CB-CD2 4.33Å; R209-F211 HydrophobicContact CB-CE2 3.74Å; R209-F211 HydrophobicContact CB-CZ 4.48Å
210W95.7Very high91.9Very high9 Ų938.5 Ų38.53%0.03421%0.208CC..EExtended strand (participates in β ladder)trans-80.7133.7168.2-73104.1000110.2L89 L104 Y153 I154 C155 R168 F171 I200 L201L89-W210 HydrophobicContact CB-CH2 3.73Å; L89-W210 HydrophobicContact CB-CZ3 3.52Å; L89-W210 HydrophobicContact CD2-CE3 4.47Å; L89-W210 HydrophobicContact CD2-CH2 3.88Å; L89-W210 HydrophobicContact CD2-CZ2 4.37Å; L89-W210 HydrophobicContact CD2-CZ3 3.94Å; L89-W210 HydrophobicContact CG-CH2 4.38Å; L89-W210 HydrophobicContact CG-CZ3 4.37Å; L104-W210 HydrophobicContact CD1-CH2 3.77Å; Y153-W210 HydrophobicContact CD1-CB 4.37Å; Y153-W210 HydrophobicContact CD1-CE3 4.37Å; I154-W210 CarbonylContact O-C 3.5Å; I154-W210 WeakPolarHBondContact O-CA 3.15Å; C155-W210 HydrophobicContact CB-CD2 3.89Å; C155-W210 HydrophobicContact CB-CE3 3.66Å; C155-W210 HydrophobicContact CB-CH2 3.75Å; C155-W210 HydrophobicContact CB-CZ2 3.98Å; C155-W210 HydrophobicContact CB-CZ3 3.58Å; R168-W210 HydrophobicContact CB-CB 4.46Å; R168-W210 PolarHBondContact N-O 2.92Å; F171-W210 HydrophobicContact CB-CB 4.37Å; F171-W210 HydrophobicContact CD1-CB 3.9Å; F171-W210 AromaticContact CD1-CD1 3.58Å; F171-W210 AromaticContact CD1-CD2 3.99Å; F171-W210 HydrophobicContact CD1-CD2 3.99Å; F171-W210 AromaticContact CD1-CG 3.53Å; F171-W210 HydrophobicContact CD1-CG 3.53Å; F171-W210 HydrophobicContact CE1-CD2 4.07Å; F171-W210 HydrophobicContact CE1-CG 4.11Å; I200-W210 HydrophobicContact CG2-CZ2 3.78Å; I200-W210 PolarHBondContact O-NE1 2.66Å; L201-W210 HydrophobicContact CD2-CZ2 4.23Å
211F97.1Very high91.5Very high11 Ų1145.1 Ų45.15%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-120.8141.7167.7-63.5-109000109.3Y153 I154 T156 F160 F165 L166 P167 R209Y153-F211 CarbonylContact C-O 3.5Å; Y153-F211 VanDerWaalsContact CA-O 3.22Å; Y153-F211 WeakPolarHBondContact CA-O 3.48Å; I154-F211 HydrophobicContact CD1-CB 4.45Å; I154-F211 HydrophobicContact CG1-CB 3.89Å; I154-F211 PolarHBondContact N-O 3.17Å; I154-F211 PolarHBondContact O-N 2.95Å; T156-F211 WeakPolarHBondContact OG1-CD2 3.35Å; T156-F211 WeakPolarHBondContact OG1-CE2 3.34Å; F160-F211 HydrophobicContact CB-CE2 4.27Å; F160-F211 HydrophobicContact CB-CZ 4.35Å; F160-F211 HydrophobicContact CD1-CD1 4.27Å; F160-F211 HydrophobicContact CD1-CD2 4.02Å; F160-F211 HydrophobicContact CD1-CE1 4.05Å; F160-F211 AromaticContact CD1-CE2 3.81Å; F160-F211 HydrophobicContact CD1-CE2 3.81Å; F160-F211 HydrophobicContact CD1-CG 4.27Å; F160-F211 AromaticContact CD1-CZ 3.82Å; F160-F211 HydrophobicContact CD1-CZ 3.82Å; F160-F211 HydrophobicContact CE1-CG 4.48Å; F160-F211 HydrophobicContact CG-CE2 4.5Å; F165-F211 HydrophobicContact CB-CB 3.92Å; F165-F211 HydrophobicContact CB-CD1 4.46Å; F165-F211 WeakPolarHBondContact O-CD1 3.31Å; L166-F211 CarbonylContact O-C 3.52Å; L166-F211 VanDerWaalsContact O-CA 3.26Å; L166-F211 WeakPolarHBondContact O-CA 3.24Å; P167-F211 HydrophobicContact CB-CD1 3.93Å; P167-F211 HydrophobicContact CB-CE1 3.74Å; P167-F211 HydrophobicContact CB-CZ 4.33Å; P167-F211 HydrophobicContact CG-CE1 4.33Å; R209-F211 HydrophobicContact CB-CD2 4.33Å; R209-F211 HydrophobicContact CB-CE2 3.74Å; R209-F211 HydrophobicContact CB-CZ 4.48Å
212A97.6Very high90.3Very high1 Ų149.2 Ų49.21%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-107.7141.5-179.500000110.8Y153 L166 R168Y153-A212 HydrophobicContact CD1-CB 4.03Å; Y153-A212 HydrophobicContact CD2-CB 4.17Å; Y153-A212 HydrophobicContact CE1-CB 3.71Å; Y153-A212 HydrophobicContact CE2-CB 3.79Å; Y153-A212 HydrophobicContact CG-CB 4.25Å; L166-A212 PolarHBondContact N-O 3.22Å; L166-A212 PolarHBondContact O-N 3.41Å; R168-A212 HydrophobicContact CG-CB 3.72Å
213S98Very high89.1Confident10 Ų1058.8 Ų58.87%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-58.4129.8157.1167.40000109V73 I152 W164 T215V73-S213 WeakPolarHBondContact CG2-OG 3.24Å; I152-S213 WeakPolarHBondContact O-CB 3.49Å; I152-S213 PolarHBondContact O-N 3.35Å; W164-S213 WeakPolarHBondContact CH2-OG 3.41Å; S213-T215 PolarHBondContact O-N 3.36Å; S213-T215 PolarHBondContact OG-N 3.11Å; S213-T215 PolarHBondContact OG-O 2.91Å
214P97.5Very high89.1Confident60 Ų6057.8 Ų57.839%0.3930%0.302SS..EExtended strand (participates in β ladder)trans-67.5-24.5169.328.9-34.2000111.6W164 L166W164-P214 HydrophobicContact CD2-CG 3.91Å; W164-P214 HydrophobicContact CE3-CG 4.34Å; W164-P214 HydrophobicContact CG-CG 4.44Å; W164-P214 HydrophobicContact CH2-CG 4.2Å; W164-P214 HydrophobicContact CZ2-CG 3.73Å; W164-P214 HydrophobicContact CZ3-CG 4.49Å; W164-P214 VanDerWaalsContact O-CD 3.32Å; W164-P214 WeakPolarHBondContact O-CD 3.22Å; L166-P214 HydrophobicContact CD1-CB 4.11Å
215T96.9Very high89.9Confident22 Ų2257.2 Ų57.214%0.13529%0.292CS..EExtended strand (participates in β ladder)trans-81.9128.5179.7-62.40000110.9E72 W164 S213 F217E72-T215 PolarHBondContact OE2-OG1 2.94Å; W164-T215 WeakPolarHBondContact CZ2-OG1 3.2Å; S213-T215 PolarHBondContact O-N 3.36Å; S213-T215 PolarHBondContact OG-N 3.11Å; S213-T215 PolarHBondContact OG-O 2.91Å; T215-F217 HydrophobicContact CG2-CD1 4.28Å; T215-F217 HydrophobicContact CG2-CE1 4.21Å
216V97.6Very high90.8Very high36 Ų3659.5 Ų59.522%0.21830%0.303CS..EExtended strand (participates in β ladder)trans-106.4127.3176-178.90000108.5R149 Y151 F218R149-V216 HydrophobicContact CB-CG1 3.95Å; R149-V216 HydrophobicContact CG-CG1 4.23Å; Y151-V216 HydrophobicContact CD1-CG1 4.1Å; Y151-V216 HydrophobicContact CD1-CG2 3.75Å; Y151-V216 HydrophobicContact CE1-CB 4.41Å; Y151-V216 HydrophobicContact CE1-CG1 3.81Å; Y151-V216 HydrophobicContact CE1-CG2 3.65Å; V216-F218 HydrophobicContact CB-CE2 4.09Å; V216-F218 HydrophobicContact CB-CZ 4.42Å; V216-F218 HydrophobicContact CG1-CE2 4.19Å; V216-F218 HydrophobicContact CG1-CZ 4.23Å; V216-F218 VanDerWaalsContact O-CD2 3.28Å; V216-F218 WeakPolarHBondContact O-CD2 3.29Å; V216-F218 WeakPolarHBondContact O-CE2 2.97Å
217F97.9Very high91.6Very high0 Ų057.9 Ų57.90%029%0.286CS..EExtended strand (participates in β ladder)trans-80.6132.5175.7-60.6-13.4000109.7M26 M30 L66 S69 I70 V73 R149 T150 I152 T215M26-F217 HydrophobicContact CE-CE2 4.47Å; M26-F217 HydrophobicContact CE-CZ 4.45Å; M26-F217 HydrophobicContact CG-CE2 4.3Å; M26-F217 HydrophobicContact SD-CE2 3.68Å; M26-F217 HydrophobicContact SD-CZ 3.98Å; M30-F217 HydrophobicContact CE-CB 3.92Å; M30-F217 HydrophobicContact CE-CD2 3.9Å; M30-F217 HydrophobicContact CE-CG 4.32Å; M30-F217 HydrophobicContact CG-CD2 4.5Å; M30-F217 HydrophobicContact SD-CD2 3.93Å; L66-F217 HydrophobicContact CD1-CB 3.6Å; L66-F217 HydrophobicContact CD1-CD1 4.27Å; L66-F217 HydrophobicContact CD1-CG 3.92Å; S69-F217 VanDerWaalsContact C-CE1 3.5Å; S69-F217 VanDerWaalsContact O-CE1 3.3Å; S69-F217 WeakPolarHBondContact O-CE1 3.45Å; I70-F217 HydrophobicContact CB-CZ 4.37Å; I70-F217 HydrophobicContact CG1-CD1 4.48Å; I70-F217 HydrophobicContact CG1-CD2 4.21Å; I70-F217 HydrophobicContact CG1-CE1 4.17Å; I70-F217 HydrophobicContact CG1-CE2 3.84Å; I70-F217 HydrophobicContact CG1-CZ 3.81Å; V73-F217 HydrophobicContact CB-CE1 4.32Å; V73-F217 HydrophobicContact CB-CZ 3.91Å; V73-F217 HydrophobicContact CG1-CZ 4.37Å; V73-F217 HydrophobicContact CG2-CE1 3.57Å; V73-F217 HydrophobicContact CG2-CZ 3.53Å; R149-F217 CarbonylContact C-O 3.53Å; R149-F217 VanDerWaalsContact CA-O 3.29Å; R149-F217 WeakPolarHBondContact CA-O 3.5Å; T150-F217 HydrophobicContact CG2-CD2 4.44Å; T150-F217 PolarHBondContact N-O 2.76Å; T150-F217 PolarHBondContact O-N 2.82Å; I152-F217 HydrophobicContact CD1-CE2 4.06Å; I152-F217 HydrophobicContact CG1-CD2 4.37Å; I152-F217 HydrophobicContact CG1-CE2 3.81Å; I152-F217 HydrophobicContact CG1-CZ 4.05Å; T215-F217 HydrophobicContact CG2-CD1 4.28Å; T215-F217 HydrophobicContact CG2-CE1 4.21Å
218F96.7Very high91.8Very high119 Ų11955.6 Ų55.652%0.52228%0.275SS..EExtended strand (participates in β ladder)trans-110.6105.9174.3-66.6-92.7000108.6L66 R149 V216L66-F218 WeakPolarHBondContact CD2-O 3.47Å; R149-F218 HydrophobicContact CG-CD1 3.86Å; R149-F218 HydrophobicContact CG-CE1 3.72Å; V216-F218 HydrophobicContact CB-CE2 4.09Å; V216-F218 HydrophobicContact CB-CZ 4.42Å; V216-F218 HydrophobicContact CG1-CE2 4.19Å; V216-F218 HydrophobicContact CG1-CZ 4.23Å; V216-F218 VanDerWaalsContact O-CD2 3.28Å; V216-F218 WeakPolarHBondContact O-CD2 3.29Å; V216-F218 WeakPolarHBondContact O-CE2 2.97Å
219G96.1Very high91.7Very high18 Ų1857.1 Ų57.119%0.18628%0.283CS..  trans-54.9150.7-178.300000112.7Q35 P147 T148Q35-G219 CarbonylContact O-C 3.48Å; Q35-G219 WeakPolarHBondContact O-CA 3.38Å; P147-G219 VanDerWaalsContact CB-C 3.45Å; P147-G219 WeakPolarHBondContact CB-O 3.34Å; T148-G219 PolarHBondContact O-N 2.87Å
220V93.9Very high91.6Very high11 Ų1154 Ų547%0.06728%0.276CS..  trans-119.7132.1-179-173.90000109.6Q35 K62 E63 L66Q35-V220 PolarHBondContact O-N 3.47Å; K62-V220 HydrophobicContact CB-CG1 4.25Å; K62-V220 HydrophobicContact CB-CG2 3.84Å; E63-V220 HydrophobicContact CG-CB 4.39Å; E63-V220 HydrophobicContact CG-CG1 3.77Å; L66-V220 HydrophobicContact CB-CG2 4.35Å; L66-V220 HydrophobicContact CD2-CG2 4.01Å
221K82.7Confident91.3Very high142 Ų14257.5 Ų57.562%0.61729%0.294SS*.  trans-73.7143173.9-74-172.3179.1-173.20109.5P147P147-K221 HydrophobicContact CB-CG 4.26Å; P147-K221 HydrophobicContact CG-CB 4.24Å; P147-K221 HydrophobicContact CG-CG 3.45Å; P147-K221 VanDerWaalsContact CG-CG 3.45Å
222P68.8Low90.8Very high86 Ų8661.3 Ų61.356%0.55832%0.315SS*.  trans-53.7141.7159.7-15.327.1000109.3P37P37-P222 HydrophobicContact CB-CB 4.08Å; P37-P222 HydrophobicContact CB-CG 3.99Å
223K66.1Low90.2Very high231 Ų23166.8 Ų66.8100%1.00434%0.342SS*.  trans-650171.1-75-177.3-177.7169.40111

Retrieved 223 of 223 residues in 400.5 ms (Link to these results)

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