A0A077ZGC5_TRITR Loading...

Bromodomain domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGC5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M29.8Very low44.5Very low235 Ų235100.5 Ų100.5100%1.15855%0.546SS*.  0126.60-76.7164.1141.600107.5T3M1-T3 PolarHBondContact O-N 3.29Å
2K27.6Very low46.7Very low167 Ų16793 Ų9373%0.72651%0.506SS*.  trans-71.4113167.4-72.8177.7179.2174.10107Y4K2-Y4 VanDerWaalsContact C-N 3.34Å; K2-Y4 HydrophobicContact CB-CD2 4.27Å; K2-Y4 HydrophobicContact CB-CE2 3.84Å; K2-Y4 WeakPolarHBondContact O-CD2 3.5Å; K2-Y4 PolarHBondContact O-N 2.82Å; K2-Y4 VanDerWaalsContact O-N 3.07Å
3T24.8Very low48.8Very low136 Ų13695.1 Ų95.183%0.83451%0.508SS*.  trans-77.587.8173.844.20000108.4M1 S5M1-T3 PolarHBondContact O-N 3.29Å; T3-S5 PolarHBondContact O-N 3.06Å
4Y33.5Very low51.3Low123 Ų12391.9 Ų91.948%0.48249%0.487SS..  trans-67.4109.7170.9-63.4-80.4000108.7K2 F6 H63K2-Y4 VanDerWaalsContact C-N 3.34Å; K2-Y4 HydrophobicContact CB-CD2 4.27Å; K2-Y4 HydrophobicContact CB-CE2 3.84Å; K2-Y4 WeakPolarHBondContact O-CD2 3.5Å; K2-Y4 PolarHBondContact O-N 2.82Å; K2-Y4 VanDerWaalsContact O-N 3.07Å; Y4-F6 VanDerWaalsContact CB-CE2 3.48Å; Y4-F6 HydrophobicContact CD1-CE2 4.46Å; Y4-F6 AromaticContact CG-CE2 4Å; Y4-F6 HydrophobicContact CG-CE2 4Å; Y4-F6 PolarHBondContact O-N 3.23Å; Y4-H63 AromaticContact CD1-CD2 3.86Å
5S29.4Very low53.3Low104 Ų10485.7 Ų85.773%0.72745%0.454SS*.  trans-7673.6174.954.50000110.1T3 V7T3-S5 PolarHBondContact O-N 3.06Å; S5-V7 VanDerWaalsContact C-N 3.27Å; S5-V7 PolarHBondContact O-N 2.87Å
6F41.4Very low54.8Low61 Ų6182 Ų8227%0.26844%0.437SS..  trans-72.280.7175.7-84.8-76.2000111.1Y4 G62 I92Y4-F6 VanDerWaalsContact CB-CE2 3.48Å; Y4-F6 HydrophobicContact CD1-CE2 4.46Å; Y4-F6 AromaticContact CG-CE2 4Å; Y4-F6 HydrophobicContact CG-CE2 4Å; Y4-F6 PolarHBondContact O-N 3.23Å; F6-G62 WeakPolarHBondContact CE1-O 3.4Å; F6-I92 HydrophobicContact CD1-CD1 4.28Å; F6-I92 HydrophobicContact CE1-CD1 4.28Å
7V43.1Very low56.6Low114 Ų11479.6 Ų79.669%0.69142%0.423SS*.  trans-128.889159.9-173.10000107.2S5S5-V7 VanDerWaalsContact C-N 3.27Å; S5-V7 PolarHBondContact O-N 2.87Å
8S52.9Low58.3Low7 Ų775.2 Ų75.25%0.04940%0.399CS..  trans-105.5126.2164.3-1700000107.3V10 E58 L100S8-V10 VanDerWaalsContact C-N 3.28Å; S8-E58 PolarHBondContact OG-O 2.91Å; S8-L100 WeakPolarHBondContact O-CD2 3.29Å
9S65.4Low59.8Low94 Ų9471.4 Ų71.466%0.65738%0.379SS*.  trans-82.7-5.9177.623.40000113.1P11 E58S9-P11 VanDerWaalsContact O-CD 3.32Å; S9-P11 WeakPolarHBondContact O-CD 3.45Å; S9-E58 WeakPolarHBondContact CB-OE2 3.06Å; S9-E58 PolarHBondContact OG-OE2 3.01Å
10V70.2Confident61Low4 Ų471.4 Ų71.42%0.02438%0.382CS..SBendtrans-72.1119.8-176.6-170.20000110.9S8 K14 V15 Y55 E58S8-V10 VanDerWaalsContact C-N 3.28Å; V10-K14 HydrophobicContact CG1-CB 3.56Å; V10-V15 HydrophobicContact CB-CG2 3.96Å; V10-V15 HydrophobicContact CG1-CG2 3.59Å; V10-Y55 HydrophobicContact CG1-CD1 4.06Å; V10-Y55 HydrophobicContact CG1-CG 4.31Å; V10-Y55 HydrophobicContact CG2-CD1 4.16Å; V10-E58 HydrophobicContact CG2-CB 3.41Å; V10-E58 VanDerWaalsContact CG2-CB 3.41Å; V10-E58 HydrophobicContact CG2-CG 4.2Å; V10-E58 VanDerWaalsContact CG2-OE2 3.26Å; V10-E58 WeakPolarHBondContact CG2-OE2 3.21Å; V10-E58 PolarHBondContact N-OE2 2.82Å
11P71.4Confident62.3Low60 Ų6068.3 Ų68.339%0.3937%0.365SS..  trans-59.6142.3176.6-25.234.7000112S9 K13 K14 V15S9-P11 VanDerWaalsContact O-CD 3.32Å; S9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-K13 PolarHBondContact O-N 3Å; P11-K14 HydrophobicContact CB-CG 4.33Å; P11-K14 HydrophobicContact CG-CG 4.32Å; P11-K14 WeakPolarHBondContact O-CA 3.35Å; P11-K14 WeakPolarHBondContact O-CB 3.39Å; P11-K14 PolarHBondContact O-N 3.2Å; P11-V15 PolarHBondContact O-N 3.23Å
12P70.9Confident65Low11 Ų1157.2 Ų57.27%0.07131%0.311CS..Hα-helixtrans-49.9-39.1-177.9-33.738.8000114.8K14 V15 S16 Y93 I228P12-K14 VanDerWaalsContact C-N 3.33Å; P12-K14 PolarHBondContact O-N 3.12Å; P12-V15 PolarHBondContact O-N 3.3Å; P12-S16 WeakPolarHBondContact O-CB 3.45Å; P12-S16 PolarHBondContact O-N 3.25Å; P12-Y93 HydrophobicContact CG-CD1 4.36Å; P12-Y93 HydrophobicContact CG-CE1 3.46Å; P12-Y93 VanDerWaalsContact CG-CE1 3.46Å; P12-I228 HydrophobicContact CB-CG2 4.16Å; P12-I228 WeakPolarHBondContact CB-O 3.33Å; P12-I228 HydrophobicContact CG-CG2 4.36Å
13K74Confident67.6Low120 Ų12049.6 Ų49.652%0.52228%0.278SS..Hα-helixtrans-58.3-41.4174.6-175.6172.6-179.3173.90112.7P11 Q17P11-K13 PolarHBondContact O-N 3Å; K13-Q17 WeakPolarHBondContact O-CB 3.35Å; K13-Q17 VanDerWaalsContact O-CG 3.23Å; K13-Q17 WeakPolarHBondContact O-CG 3.38Å; K13-Q17 PolarHBondContact O-N 3.41Å; K13-Q17 PolarHBondContact O-OE1 3.07Å
14K83.8Confident70.3Confident50 Ų5047.5 Ų47.522%0.21726%0.259CS..Hα-helixtrans-67.2-39.4176.2-65.8-72.5-166.71630110.9V10 P11 P12 Q17 L18 W47 Y55V10-K14 HydrophobicContact CG1-CB 3.56Å; P11-K14 HydrophobicContact CB-CG 4.33Å; P11-K14 HydrophobicContact CG-CG 4.32Å; P11-K14 WeakPolarHBondContact O-CA 3.35Å; P11-K14 WeakPolarHBondContact O-CB 3.39Å; P11-K14 PolarHBondContact O-N 3.2Å; P12-K14 VanDerWaalsContact C-N 3.33Å; P12-K14 PolarHBondContact O-N 3.12Å; K14-Q17 WeakPolarHBondContact O-CB 3.45Å; K14-Q17 PolarHBondContact O-N 2.9Å; K14-L18 WeakPolarHBondContact O-CB 3.44Å; K14-L18 PolarHBondContact O-N 3.13Å; K14-W47 HydrophobicContact CB-CH2 4.41Å; K14-W47 HydrophobicContact CB-CZ2 4.46Å; K14-W47 HydrophobicContact CD-CH2 4.1Å; K14-W47 HydrophobicContact CD-CZ2 3.41Å; K14-W47 VanDerWaalsContact CD-CZ2 3.41Å; K14-W47 VanDerWaalsContact NZ-NE1 3.16Å; K14-W47 WeakPolarHBondContact O-CH2 3.44Å; K14-Y55 HydrophobicContact CD-CE2 3.88Å; K14-Y55 WeakPolarHBondContact CE-OH 3.44Å; K14-Y55 PolarHBondContact NZ-OH 3.07Å
15V81.8Confident72.8Confident0 Ų042.1 Ų42.10%024%0.238CC..Hα-helixtrans-67.4-43.5176.3-164.10000111.6V10 P11 P12 Q17 L18 W19 L64 F190V10-V15 HydrophobicContact CB-CG2 3.96Å; V10-V15 HydrophobicContact CG1-CG2 3.59Å; P11-V15 PolarHBondContact O-N 3.23Å; P12-V15 PolarHBondContact O-N 3.3Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.02Å; V15-L18 WeakPolarHBondContact O-CB 3.35Å; V15-L18 PolarHBondContact O-N 3.07Å; V15-W19 HydrophobicContact CG1-CD2 4.26Å; V15-W19 HydrophobicContact CG1-CZ2 4.38Å; V15-W19 WeakPolarHBondContact O-CB 3.17Å; V15-W19 PolarHBondContact O-N 2.96Å; V15-L64 HydrophobicContact CG1-CB 4.06Å; V15-L64 HydrophobicContact CG1-CD1 4.05Å; V15-L64 HydrophobicContact CG2-CD1 3.99Å; V15-F190 HydrophobicContact CB-CE2 4.45Å; V15-F190 HydrophobicContact CB-CZ 3.79Å; V15-F190 HydrophobicContact CG1-CE1 4.45Å; V15-F190 HydrophobicContact CG1-CZ 3.63Å; V15-F190 HydrophobicContact CG2-CZ 4.41Å
16S76.3Confident75.1Confident26 Ų2643.6 Ų43.618%0.18223%0.228CC..Hα-helixtrans-55.6-44.8172.1172.30000112.2P12 W19 T20P12-S16 WeakPolarHBondContact O-CB 3.45Å; P12-S16 PolarHBondContact O-N 3.25Å; S16-W19 PolarHBondContact O-N 3.05Å; S16-T20 PolarHBondContact O-N 3.19Å; S16-T20 PolarHBondContact O-OG1 3.33Å
17Q85.3Confident76.8Confident41 Ų4145.4 Ų45.419%0.19225%0.247CC..Hα-helixtrans-61.7-48.5173.3-77.6176.5-60.400111.7K13 K14 V15 W19 T20 L21 F45 W47K13-Q17 WeakPolarHBondContact O-CB 3.35Å; K13-Q17 VanDerWaalsContact O-CG 3.23Å; K13-Q17 WeakPolarHBondContact O-CG 3.38Å; K13-Q17 PolarHBondContact O-N 3.41Å; K13-Q17 PolarHBondContact O-OE1 3.07Å; K14-Q17 WeakPolarHBondContact O-CB 3.45Å; K14-Q17 PolarHBondContact O-N 2.9Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.02Å; Q17-W19 VanDerWaalsContact C-N 3.32Å; Q17-W19 PolarHBondContact O-N 3.01Å; Q17-T20 VanDerWaalsContact O-CB 3.31Å; Q17-T20 WeakPolarHBondContact O-CB 3.45Å; Q17-T20 PolarHBondContact O-N 2.91Å; Q17-T20 VanDerWaalsContact O-N 3.08Å; Q17-L21 WeakPolarHBondContact O-CG 3.27Å; Q17-L21 PolarHBondContact O-N 3Å; Q17-F45 HydrophobicContact CB-CD2 4.09Å; Q17-F45 HydrophobicContact CB-CE1 4.43Å; Q17-F45 HydrophobicContact CB-CE2 3.53Å; Q17-F45 HydrophobicContact CB-CZ 3.74Å; Q17-F45 HydrophobicContact CG-CD1 4.46Å; Q17-F45 HydrophobicContact CG-CD2 4.48Å; Q17-F45 HydrophobicContact CG-CE1 3.97Å; Q17-F45 HydrophobicContact CG-CE2 3.99Å; Q17-F45 HydrophobicContact CG-CZ 3.72Å; Q17-F45 VanDerWaalsContact NE2-CD1 3.26Å; Q17-W47 HydrophobicContact CB-CH2 3.77Å; Q17-W47 HydrophobicContact CB-CZ2 3.72Å; Q17-W47 HydrophobicContact CG-CZ2 4.44Å
18L88Confident78.5Confident0 Ų044 Ų440%024%0.241CC..Hα-helixtrans-59.5-41.5178.7-167.171.9000112.1K14 V15 L21 V22 I37 W47 V56 C59 L65K14-L18 WeakPolarHBondContact O-CB 3.44Å; K14-L18 PolarHBondContact O-N 3.13Å; V15-L18 WeakPolarHBondContact O-CB 3.35Å; V15-L18 PolarHBondContact O-N 3.07Å; L18-L21 WeakPolarHBondContact O-CB 3.17Å; L18-L21 PolarHBondContact O-N 3.44Å; L18-V22 WeakPolarHBondContact O-CG2 3.5Å; L18-V22 PolarHBondContact O-N 2.93Å; L18-I37 HydrophobicContact CD1-CG2 3.75Å; L18-W47 HydrophobicContact CB-CH2 4.48Å; L18-W47 HydrophobicContact CD1-CZ3 4.01Å; L18-V56 HydrophobicContact CD1-CG2 3.74Å; L18-V56 HydrophobicContact CD2-CG2 4.05Å; L18-V56 HydrophobicContact CG-CG2 4.42Å; L18-C59 HydrophobicContact CD2-CB 4.07Å; L18-L65 HydrophobicContact CD2-CD1 3.51Å; L18-L65 HydrophobicContact CD2-CG 4.4Å; L18-L65 HydrophobicContact CG-CD1 4.18Å
19W85.9Confident79.1Confident4 Ų451.2 Ų51.22%0.01528%0.279CS..Hα-helixtrans-66.6-34.5173.9-78.3-1.5000113.9V15 S16 Q17 L21 V22 N23 L64 I80 N186 L187 V189 F190V15-W19 HydrophobicContact CG1-CD2 4.26Å; V15-W19 HydrophobicContact CG1-CZ2 4.38Å; V15-W19 WeakPolarHBondContact O-CB 3.17Å; V15-W19 PolarHBondContact O-N 2.96Å; S16-W19 PolarHBondContact O-N 3.05Å; Q17-W19 VanDerWaalsContact C-N 3.32Å; Q17-W19 PolarHBondContact O-N 3.01Å; W19-L21 VanDerWaalsContact C-N 3.31Å; W19-V22 PolarHBondContact O-N 3.05Å; W19-N23 WeakPolarHBondContact O-CB 3.13Å; W19-N23 PolarHBondContact O-N 2.95Å; W19-L64 VanDerWaalsContact CE2-O 3.26Å; W19-L64 HydrophobicContact CZ2-CB 4.23Å; W19-L64 WeakPolarHBondContact CZ2-O 3.22Å; W19-L64 PolarHBondContact NE1-O 3.41Å; W19-I80 HydrophobicContact CB-CD1 3.68Å; W19-I80 HydrophobicContact CD2-CD1 4.45Å; W19-I80 HydrophobicContact CD2-CG2 3.85Å; W19-I80 VanDerWaalsContact CE2-CG2 3.44Å; W19-I80 HydrophobicContact CG-CD1 3.68Å; W19-I80 HydrophobicContact CG-CG1 4.02Å; W19-I80 HydrophobicContact CG-CG2 4.12Å; W19-I80 HydrophobicContact CH2-CG2 4.47Å; W19-I80 HydrophobicContact CZ2-CG2 3.76Å; W19-I80 WeakPolarHBondContact O-CD1 2.97Å; W19-N186 HydrophobicContact CD2-CB 3.9Å; W19-N186 HydrophobicContact CE3-CB 3.39Å; W19-N186 HydrophobicContact CH2-CB 4.15Å; W19-N186 WeakPolarHBondContact CH2-O 3.27Å; W19-N186 HydrophobicContact CZ3-CB 3.57Å; W19-N186 WeakPolarHBondContact CZ3-O 3.5Å; W19-L187 HydrophobicContact CE3-CD1 4.38Å; W19-V189 HydrophobicContact CH2-CB 3.72Å; W19-V189 HydrophobicContact CH2-CG1 4.29Å; W19-V189 HydrophobicContact CH2-CG2 3.59Å; W19-V189 HydrophobicContact CZ2-CG2 4.37Å; W19-V189 HydrophobicContact CZ3-CB 4.44Å; W19-V189 HydrophobicContact CZ3-CG2 4.36Å; W19-F190 AromaticContact CE3-CE2 4Å; W19-F190 HydrophobicContact CE3-CE2 4Å; W19-F190 HydrophobicContact CE3-CZ 4.29Å; W19-F190 HydrophobicContact CH2-CE1 4.28Å; W19-F190 AromaticContact CH2-CE2 3.79Å; W19-F190 HydrophobicContact CH2-CE2 3.79Å; W19-F190 AromaticContact CH2-CZ 3.56Å; W19-F190 HydrophobicContact CH2-CZ 3.56Å; W19-F190 HydrophobicContact CZ2-CZ 4.2Å; W19-F190 HydrophobicContact CZ3-CD2 4.16Å; W19-F190 AromaticContact CZ3-CE2 3.31Å; W19-F190 HydrophobicContact CZ3-CE2 3.31Å; W19-F190 AromaticContact CZ3-CZ 3.57Å; W19-F190 HydrophobicContact CZ3-CZ 3.57Å
20T84Confident79.4Confident70 Ų7048 Ų4843%0.42926%0.261SS..Hα-helixtrans-61.7-42.2171.9-570000110.3S16 Q17 H24S16-T20 PolarHBondContact O-N 3.19Å; S16-T20 PolarHBondContact O-OG1 3.33Å; Q17-T20 VanDerWaalsContact O-CB 3.31Å; Q17-T20 WeakPolarHBondContact O-CB 3.45Å; Q17-T20 PolarHBondContact O-N 2.91Å; Q17-T20 VanDerWaalsContact O-N 3.08Å; T20-H24 VanDerWaalsContact O-CB 3.31Å; T20-H24 WeakPolarHBondContact O-CB 3.37Å; T20-H24 PolarHBondContact O-N 3.2Å
21L88.8Confident80.1Confident7 Ų750.3 Ų50.34%0.03728%0.275CS..Hα-helixtrans-63.5-50.6174.9-56177.1000112Q17 L18 W19 N23 H24 I25 I37 K40 A41 F45Q17-L21 WeakPolarHBondContact O-CG 3.27Å; Q17-L21 PolarHBondContact O-N 3Å; L18-L21 WeakPolarHBondContact O-CB 3.17Å; L18-L21 PolarHBondContact O-N 3.44Å; W19-L21 VanDerWaalsContact C-N 3.31Å; L21-N23 PolarHBondContact O-N 3.33Å; L21-H24 PolarHBondContact O-N 2.79Å; L21-I25 WeakPolarHBondContact O-CD1 3.35Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.7Å; L21-I37 HydrophobicContact CD1-CG2 4.42Å; L21-K40 HydrophobicContact CD2-CB 4.14Å; L21-A41 HydrophobicContact CD1-CB 3.62Å; L21-F45 HydrophobicContact CD1-CD2 4.16Å; L21-F45 HydrophobicContact CD1-CE2 3.96Å; L21-F45 HydrophobicContact CD2-CD2 4.24Å; L21-F45 HydrophobicContact CD2-CE2 3.6Å; L21-F45 HydrophobicContact CD2-CZ 4.28Å; L21-F45 HydrophobicContact CG-CD2 4.41Å; L21-F45 HydrophobicContact CG-CE2 3.74Å
22V87.4Confident80.9Confident3 Ų347.8 Ų47.82%0.01826%0.259CS..Hα-helixtrans-62.3-41.6-178.5171.80000111.4L18 W19 R26 A32 I37 L65 I80L18-V22 WeakPolarHBondContact O-CG2 3.5Å; L18-V22 PolarHBondContact O-N 2.93Å; W19-V22 PolarHBondContact O-N 3.05Å; V22-R26 WeakPolarHBondContact O-CB 3.31Å; V22-R26 PolarHBondContact O-N 3.18Å; V22-R26 VanDerWaalsContact O-N 3.11Å; V22-A32 HydrophobicContact CB-CB 4.49Å; V22-A32 HydrophobicContact CG1-CB 3.99Å; V22-A32 HydrophobicContact CG2-CB 4.43Å; V22-I37 HydrophobicContact CG2-CD1 3.78Å; V22-I37 HydrophobicContact CG2-CG1 4.1Å; V22-L65 HydrophobicContact CG2-CD2 4.31Å; V22-I80 HydrophobicContact CB-CD1 4.07Å; V22-I80 HydrophobicContact CB-CG1 4.19Å; V22-I80 HydrophobicContact CG1-CD1 4.01Å; V22-I80 HydrophobicContact CG1-CG1 3.78Å
23N81.4Confident81.9Confident6 Ų648.8 Ų48.83%0.03227%0.265CS..Hα-helixtrans-63.5-45.7173-86.2-26.7000112W19 L21 I25 R26 C27 P183 N186W19-N23 WeakPolarHBondContact O-CB 3.13Å; W19-N23 PolarHBondContact O-N 2.95Å; L21-N23 PolarHBondContact O-N 3.33Å; N23-I25 PolarHBondContact O-N 3.01Å; N23-R26 PolarHBondContact O-N 3.15Å; N23-R26 PolarHBondContact OD1-NH2 3.39Å; N23-C27 WeakPolarHBondContact O-CB 3.48Å; N23-C27 PolarHBondContact O-N 3.48Å; N23-C27 PolarHBondContact O-SG 3.29Å; N23-C27 VanDerWaalsContact O-SG 3.33Å; N23-P183 HydrophobicContact CB-CB 4.27Å; N23-P183 PolarHBondContact ND2-O 2.79Å; N23-N186 PolarHBondContact ND2-ND2 2.98Å
24H81.5Confident82.8Confident92 Ų9245 Ų4543%0.42625%0.25SS..Hα-helixtrans-59.9-46.1177.9-178.9-42000111.5T20 L21 R26 C27 C28T20-H24 VanDerWaalsContact O-CB 3.31Å; T20-H24 WeakPolarHBondContact O-CB 3.37Å; T20-H24 PolarHBondContact O-N 3.2Å; L21-H24 PolarHBondContact O-N 2.79Å; H24-R26 VanDerWaalsContact C-N 3.31Å; H24-R26 PolarHBondContact O-N 3.11Å; H24-C27 PolarHBondContact O-N 3.42Å; H24-C28 PolarHBondContact CE1-SG 2.96Å; H24-C28 PolarHBondContact ND1-SG 2.97Å; H24-C28 VanDerWaalsContact ND1-SG 3.43Å; H24-C28 PolarHBondContact O-N 3.39Å; H24-C28 VanDerWaalsContact O-N 3.11Å; H24-C28 PolarHBondContact O-SG 2.85Å; H24-C28 VanDerWaalsContact O-SG 3.38Å
25I85.3Confident83.2Confident11 Ų1145.9 Ų45.96%0.05626%0.258CS..Hα-helixtrans-60.5-44.7179.5-64.6158.3000110L21 N23 C27 C28 G30 A32 F36 I37L21-I25 WeakPolarHBondContact O-CD1 3.35Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.7Å; N23-I25 PolarHBondContact O-N 3.01Å; I25-C27 PolarHBondContact O-N 3.02Å; I25-C28 PolarHBondContact O-N 3.14Å; I25-G30 WeakPolarHBondContact O-CA 3.5Å; I25-G30 PolarHBondContact O-N 2.93Å; I25-A32 HydrophobicContact CB-CB 4.19Å; I25-A32 HydrophobicContact CD1-CB 4.36Å; I25-A32 HydrophobicContact CG2-CB 4.03Å; I25-F36 HydrophobicContact CD1-CB 4Å; I25-F36 HydrophobicContact CG1-CB 4.5Å; I25-F36 HydrophobicContact CG2-CB 4.36Å; I25-I37 HydrophobicContact CD1-CB 4.49Å; I25-I37 HydrophobicContact CD1-CG1 3.79Å
26R79.3Confident83.6Confident134 Ų13450.9 Ų50.951%0.50628%0.28SS..Hα-helixtrans-62.2-41.2176.6-177.1173.662.7164.8-4.1113V22 N23 H24 C28 N29V22-R26 WeakPolarHBondContact O-CB 3.31Å; V22-R26 PolarHBondContact O-N 3.18Å; V22-R26 VanDerWaalsContact O-N 3.11Å; N23-R26 PolarHBondContact O-N 3.15Å; N23-R26 PolarHBondContact OD1-NH2 3.39Å; H24-R26 VanDerWaalsContact C-N 3.31Å; H24-R26 PolarHBondContact O-N 3.11Å; R26-C28 VanDerWaalsContact C-N 3.26Å; R26-C28 PolarHBondContact O-N 3.29Å; R26-N29 PolarHBondContact O-N 3.28Å
27C76Confident84.5Confident99 Ų9949.7 Ų49.767%0.66927%0.271SS*.Hα-helixtrans-66.7-25.9177.1-72.80000113.1N23 H24 I25 N29N23-C27 WeakPolarHBondContact O-CB 3.48Å; N23-C27 PolarHBondContact O-N 3.48Å; N23-C27 PolarHBondContact O-SG 3.29Å; N23-C27 VanDerWaalsContact O-SG 3.33Å; H24-C27 PolarHBondContact O-N 3.42Å; I25-C27 PolarHBondContact O-N 3.02Å; C27-N29 PolarHBondContact O-N 3.05Å
28C78.6Confident84.9Confident85 Ų8547.7 Ų47.757%0.57426%0.262SS*.THydrogen-bonded Turntrans-84.323.8172.2-62.20000113.3H24 I25 R26 G30H24-C28 PolarHBondContact CE1-SG 2.96Å; H24-C28 PolarHBondContact ND1-SG 2.97Å; H24-C28 VanDerWaalsContact ND1-SG 3.43Å; H24-C28 PolarHBondContact O-N 3.39Å; H24-C28 VanDerWaalsContact O-N 3.11Å; H24-C28 PolarHBondContact O-SG 2.85Å; H24-C28 VanDerWaalsContact O-SG 3.38Å; I25-C28 PolarHBondContact O-N 3.14Å; R26-C28 VanDerWaalsContact C-N 3.26Å; R26-C28 PolarHBondContact O-N 3.29Å; C28-G30 PolarHBondContact O-N 3.23Å
29N65.9Low85.2Confident159 Ų15955.8 Ų55.885%0.8529%0.293SS*.THydrogen-bonded Turntrans54.219.7-172.4-69.2-15.3000114.8R26 C27R26-N29 PolarHBondContact O-N 3.28Å; C27-N29 PolarHBondContact O-N 3.05Å
30G71.9Confident85.4Confident27 Ų2759.9 Ų59.928%0.27831%0.31SS..  trans-88.5142.8178.300000112.7I25 C28I25-G30 WeakPolarHBondContact O-CA 3.5Å; I25-G30 PolarHBondContact O-N 2.93Å; C28-G30 PolarHBondContact O-N 3.23Å
31T84.2Confident85.9Confident52 Ų5256.5 Ų56.532%0.31929%0.29SS..  trans-73.9123.6161.5-12.40000108.1T33 F77T31-T33 VanDerWaalsContact C-N 3.26Å; T31-T33 PolarHBondContact O-N 2.94Å; T31-F77 HydrophobicContact CG2-CB 3.78Å; T31-F77 HydrophobicContact CG2-CD1 4.5Å; T31-F77 HydrophobicContact CG2-CD2 4.39Å; T31-F77 HydrophobicContact CG2-CG 4.01Å
32A89.5Confident86.2Confident6 Ų660 Ų605%0.0531%0.306CS..  trans-75.677.1179.900000111.1V22 I25 I37 F77 Y78V22-A32 HydrophobicContact CB-CB 4.49Å; V22-A32 HydrophobicContact CG1-CB 3.99Å; V22-A32 HydrophobicContact CG2-CB 4.43Å; I25-A32 HydrophobicContact CB-CB 4.19Å; I25-A32 HydrophobicContact CD1-CB 4.36Å; I25-A32 HydrophobicContact CG2-CB 4.03Å; A32-I37 HydrophobicContact CB-CD1 4.39Å; A32-I37 HydrophobicContact CB-CG1 4.48Å; A32-F77 WeakPolarHBondContact O-CA 3.4Å; A32-Y78 WeakPolarHBondContact O-CD2 3.33Å; A32-Y78 PolarHBondContact O-N 3.39Å
33T92Very high86.4Confident33 Ų3363.3 Ų63.320%0.20234%0.341CS..BIsolated β-bridgetrans-78.7164.3172.4710000111.1T31 D35 F36 I37T31-T33 VanDerWaalsContact C-N 3.26Å; T31-T33 PolarHBondContact O-N 2.94Å; T33-D35 VanDerWaalsContact C-N 3.3Å; T33-D35 PolarHBondContact O-N 3.27Å; T33-F36 PolarHBondContact O-N 3.04Å; T33-F36 WeakPolarHBondContact OG1-CD2 3.5Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 3.06Å
34L92.6Very high86.8Confident39 Ų3966.9 Ų66.920%0.20436%0.363CS..Hα-helixtrans-55.3-44.3179.8-168.457.5000112.2F36 I37 V38 I53 V56 Y78L34-F36 PolarHBondContact O-N 2.93Å; L34-I37 PolarHBondContact O-N 3.31Å; L34-V38 WeakPolarHBondContact O-CB 3.21Å; L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.36Å; L34-V38 PolarHBondContact O-N 3.12Å; L34-I53 HydrophobicContact CD1-CG1 4.15Å; L34-I53 HydrophobicContact CD2-CG1 4.14Å; L34-I53 HydrophobicContact CG-CG1 4.3Å; L34-V56 HydrophobicContact CD1-CB 4.23Å; L34-V56 HydrophobicContact CD1-CG1 4.06Å; L34-V56 HydrophobicContact CD1-CG2 4.25Å; L34-Y78 HydrophobicContact CB-CE2 3.96Å; L34-Y78 HydrophobicContact CD1-CE2 4.22Å
35D91Very high87.3Confident70 Ų7065.4 Ų65.437%0.37436%0.355SS..Hα-helixtrans-65.9-37179.6-74.1-66.4000113.9T33 R39 R49T33-D35 VanDerWaalsContact C-N 3.3Å; T33-D35 PolarHBondContact O-N 3.27Å; D35-R39 WeakPolarHBondContact O-CB 3.05Å; D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.48Å; D35-R39 PolarHBondContact O-N 2.8Å; D35-R49 IonicContact OD1-CZ 3.53Å; D35-R49 VanDerWaalsContact OD1-CZ 3.22Å; D35-R49 IonicContact OD1-NH1 3.96Å; D35-R49 PolarHBondContact OD1-NH1 3.11Å; D35-R49 IonicContact OD1-NH2 3.91Å; D35-R49 PolarHBondContact OD1-NH2 3.43Å
36F91.4Very high87.6Confident105 Ų10568 Ų6846%0.46138%0.384SS..Hα-helixtrans-68.6-38.8174.6-81.4-63.2000111.7I25 T33 L34 K40I25-F36 HydrophobicContact CD1-CB 4Å; I25-F36 HydrophobicContact CG1-CB 4.5Å; I25-F36 HydrophobicContact CG2-CB 4.36Å; T33-F36 PolarHBondContact O-N 3.04Å; T33-F36 WeakPolarHBondContact OG1-CD2 3.5Å; L34-F36 PolarHBondContact O-N 2.93Å; F36-K40 WeakPolarHBondContact O-CB 3.41Å; F36-K40 PolarHBondContact O-N 3.11Å; F36-K40 VanDerWaalsContact O-N 3.1Å
37I94.2Very high88.3Confident0 Ų062.3 Ų62.30%036%0.363CS..Hα-helixtrans-64.4-47.2175.3-64165.5000110.2L18 L21 V22 I25 A32 T33 L34 K40 A41 T52 V56 Y78L18-I37 HydrophobicContact CD1-CG2 3.75Å; L21-I37 HydrophobicContact CD1-CG2 4.42Å; V22-I37 HydrophobicContact CG2-CD1 3.78Å; V22-I37 HydrophobicContact CG2-CG1 4.1Å; I25-I37 HydrophobicContact CD1-CB 4.49Å; I25-I37 HydrophobicContact CD1-CG1 3.79Å; A32-I37 HydrophobicContact CB-CD1 4.39Å; A32-I37 HydrophobicContact CB-CG1 4.48Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 3.06Å; L34-I37 PolarHBondContact O-N 3.31Å; I37-K40 PolarHBondContact O-N 3.16Å; I37-A41 VanDerWaalsContact O-CB 3.25Å; I37-A41 WeakPolarHBondContact O-CB 3.31Å; I37-A41 PolarHBondContact O-N 3.3Å; I37-T52 HydrophobicContact CG2-CG2 3.94Å; I37-V56 HydrophobicContact CG2-CG2 4.1Å; I37-Y78 HydrophobicContact CD1-CD2 3.63Å; I37-Y78 HydrophobicContact CD1-CG 4.02Å
38V95.1Very high89.2Confident0 Ų061 Ų610%035%0.351CS..Hα-helixtrans-56.6-57.1176.2166.60000111.3L34 K40 A41 E42 R49 T52 I53L34-V38 WeakPolarHBondContact O-CB 3.21Å; L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.36Å; L34-V38 PolarHBondContact O-N 3.12Å; V38-K40 VanDerWaalsContact C-N 3.25Å; V38-K40 PolarHBondContact O-N 3.23Å; V38-A41 PolarHBondContact O-N 2.81Å; V38-E42 HydrophobicContact CG1-CG 4.36Å; V38-E42 WeakPolarHBondContact CG1-OE1 3.36Å; V38-E42 WeakPolarHBondContact O-CG 3.4Å; V38-E42 PolarHBondContact O-N 3.27Å; V38-R49 HydrophobicContact CG1-CB 3.83Å; V38-R49 HydrophobicContact CG1-CG 3.76Å; V38-R49 HydrophobicContact CG2-CG 4.19Å; V38-T52 HydrophobicContact CG2-CG2 4.01Å; V38-I53 HydrophobicContact CG2-CG1 4.31Å
39R93Very high90.1Very high170 Ų17062 Ų6264%0.64234%0.344SS*.Hα-helixtrans-57.9-38.1-178-72.6176.2-177.7179.21.7112.5D35 G43D35-R39 WeakPolarHBondContact O-CB 3.05Å; D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.48Å; D35-R39 PolarHBondContact O-N 2.8Å; R39-G43 PolarHBondContact O-N 3.31Å
40K91.2Very high91.5Very high89 Ų8962.7 Ų62.739%0.38734%0.339SS..Hα-helixtrans-76.3-32.4176.7-82.3-75-173.7173.40112.6L21 F36 I37 V38 T44L21-K40 HydrophobicContact CD2-CB 4.14Å; F36-K40 WeakPolarHBondContact O-CB 3.41Å; F36-K40 PolarHBondContact O-N 3.11Å; F36-K40 VanDerWaalsContact O-N 3.1Å; I37-K40 PolarHBondContact O-N 3.16Å; V38-K40 VanDerWaalsContact C-N 3.25Å; V38-K40 PolarHBondContact O-N 3.23Å; K40-T44 WeakPolarHBondContact O-CB 3.07Å; K40-T44 PolarHBondContact O-N 3.48Å; K40-T44 PolarHBondContact O-OG1 2.88Å
41A94.2Very high92.5Very high0 Ų064.3 Ų64.30%034%0.341CS..Hα-helixtrans-68.1-43.8174.600000111.9L21 I37 V38 F45 G46 W47 T52L21-A41 HydrophobicContact CD1-CB 3.62Å; I37-A41 VanDerWaalsContact O-CB 3.25Å; I37-A41 WeakPolarHBondContact O-CB 3.31Å; I37-A41 PolarHBondContact O-N 3.3Å; V38-A41 PolarHBondContact O-N 2.81Å; A41-F45 CarbonylContact O-C 3.57Å; A41-F45 WeakPolarHBondContact O-CA 3.45Å; A41-F45 PolarHBondContact O-N 3.37Å; A41-G46 PolarHBondContact O-N 2.65Å; A41-W47 HydrophobicContact CB-CB 4.33Å; A41-W47 HydrophobicContact CB-CD2 4.33Å; A41-W47 HydrophobicContact CB-CE3 3.8Å; A41-W47 HydrophobicContact CB-CZ3 4.45Å; A41-T52 HydrophobicContact CB-CG2 3.7Å; A41-T52 WeakPolarHBondContact CB-OG1 3.35Å
42E94.7Very high93.1Very high80 Ų8061.9 Ų61.937%0.37433%0.326SS..Hα-helixtrans-55.7-54.9172.8-74.2165.916300110.1V38 T44 G46 W47 R49V38-E42 HydrophobicContact CG1-CG 4.36Å; V38-E42 WeakPolarHBondContact CG1-OE1 3.36Å; V38-E42 WeakPolarHBondContact O-CG 3.4Å; V38-E42 PolarHBondContact O-N 3.27Å; E42-T44 PolarHBondContact O-N 2.73Å; E42-G46 WeakPolarHBondContact O-CA 3.43Å; E42-G46 PolarHBondContact O-N 3.37Å; E42-G46 VanDerWaalsContact O-N 3.08Å; E42-W47 WeakPolarHBondContact CG-O 3.42Å; E42-R49 PolarHBondContact OE1-N 3.14Å
43G90.7Very high93.3Very high73 Ų7364 Ų6475%0.75334%0.336SS*.Hα-helixtrans-73.4-23.1-177.500000116.5R39R39-G43 PolarHBondContact O-N 3.31Å
44T91.2Very high93.4Very high80 Ų8065 Ų6549%0.49134%0.344SS..Hα-helixtrans-102-32-176.3-43.80000112.9K40 E42K40-T44 WeakPolarHBondContact O-CB 3.07Å; K40-T44 PolarHBondContact O-N 3.48Å; K40-T44 PolarHBondContact O-OG1 2.88Å; E42-T44 PolarHBondContact O-N 2.73Å
45F90.7Very high93.4Very high62 Ų6265 Ų6527%0.27234%0.342SS..Hα-helixtrans-131.51.2-172.4-53.2-51.3000114.4Q17 L21 A41 W47Q17-F45 HydrophobicContact CB-CD2 4.09Å; Q17-F45 HydrophobicContact CB-CE1 4.43Å; Q17-F45 HydrophobicContact CB-CE2 3.53Å; Q17-F45 HydrophobicContact CB-CZ 3.74Å; Q17-F45 HydrophobicContact CG-CD1 4.46Å; Q17-F45 HydrophobicContact CG-CD2 4.48Å; Q17-F45 HydrophobicContact CG-CE1 3.97Å; Q17-F45 HydrophobicContact CG-CE2 3.99Å; Q17-F45 HydrophobicContact CG-CZ 3.72Å; Q17-F45 VanDerWaalsContact NE2-CD1 3.26Å; L21-F45 HydrophobicContact CD1-CD2 4.16Å; L21-F45 HydrophobicContact CD1-CE2 3.96Å; L21-F45 HydrophobicContact CD2-CD2 4.24Å; L21-F45 HydrophobicContact CD2-CE2 3.6Å; L21-F45 HydrophobicContact CD2-CZ 4.28Å; L21-F45 HydrophobicContact CG-CD2 4.41Å; L21-F45 HydrophobicContact CG-CE2 3.74Å; A41-F45 CarbonylContact O-C 3.57Å; A41-F45 WeakPolarHBondContact O-CA 3.45Å; A41-F45 PolarHBondContact O-N 3.37Å; F45-W47 HydrophobicContact CB-CD2 4.24Å; F45-W47 HydrophobicContact CB-CG 4.15Å; F45-W47 HydrophobicContact CB-CZ2 4.35Å; F45-W47 VanDerWaalsContact CB-NE1 3.3Å; F45-W47 HydrophobicContact CD2-CH2 4.24Å; F45-W47 AromaticContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CG-CZ2 4.32Å; F45-W47 VanDerWaalsContact O-CD1 3.26Å; F45-W47 PolarHBondContact O-N 2.76Å
46G91.9Very high93.4Very high64 Ų6461.7 Ų61.766%0.6632%0.324SS*.  trans64.622.8179.600000114.2A41 E42A41-G46 PolarHBondContact O-N 2.65Å; E42-G46 WeakPolarHBondContact O-CA 3.43Å; E42-G46 PolarHBondContact O-N 3.37Å; E42-G46 VanDerWaalsContact O-N 3.08Å
47W95Very high93.4Very high16 Ų1660.1 Ų60.16%0.06132%0.318CS..  trans-76.1145.1177.7-61-2.3000110.2K14 Q17 L18 A41 E42 F45 T52 Y55K14-W47 HydrophobicContact CB-CH2 4.41Å; K14-W47 HydrophobicContact CB-CZ2 4.46Å; K14-W47 HydrophobicContact CD-CH2 4.1Å; K14-W47 HydrophobicContact CD-CZ2 3.41Å; K14-W47 VanDerWaalsContact CD-CZ2 3.41Å; K14-W47 VanDerWaalsContact NZ-NE1 3.16Å; K14-W47 WeakPolarHBondContact O-CH2 3.44Å; Q17-W47 HydrophobicContact CB-CH2 3.77Å; Q17-W47 HydrophobicContact CB-CZ2 3.72Å; Q17-W47 HydrophobicContact CG-CZ2 4.44Å; L18-W47 HydrophobicContact CB-CH2 4.48Å; L18-W47 HydrophobicContact CD1-CZ3 4.01Å; A41-W47 HydrophobicContact CB-CB 4.33Å; A41-W47 HydrophobicContact CB-CD2 4.33Å; A41-W47 HydrophobicContact CB-CE3 3.8Å; A41-W47 HydrophobicContact CB-CZ3 4.45Å; E42-W47 WeakPolarHBondContact CG-O 3.42Å; F45-W47 HydrophobicContact CB-CD2 4.24Å; F45-W47 HydrophobicContact CB-CG 4.15Å; F45-W47 HydrophobicContact CB-CZ2 4.35Å; F45-W47 VanDerWaalsContact CB-NE1 3.3Å; F45-W47 HydrophobicContact CD2-CH2 4.24Å; F45-W47 AromaticContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CG-CZ2 4.32Å; F45-W47 VanDerWaalsContact O-CD1 3.26Å; F45-W47 PolarHBondContact O-N 2.76Å; W47-T52 WeakPolarHBondContact CB-OG1 3.49Å; W47-T52 HydrophobicContact CE3-CG2 4.31Å; W47-Y55 HydrophobicContact CD2-CD2 4.07Å; W47-Y55 AromaticContact CD2-CE2 3.79Å; W47-Y55 HydrophobicContact CD2-CE2 3.79Å; W47-Y55 AromaticContact CE3-CD2 3.54Å; W47-Y55 HydrophobicContact CE3-CD2 3.54Å; W47-Y55 AromaticContact CE3-CE2 3.76Å; W47-Y55 HydrophobicContact CE3-CE2 3.76Å; W47-Y55 HydrophobicContact CG-CE2 4.3Å; W47-Y55 HydrophobicContact CH2-CD2 4.14Å; W47-Y55 HydrophobicContact CH2-CE2 4.46Å; W47-Y55 HydrophobicContact CZ2-CE2 4.49Å; W47-Y55 AromaticContact CZ3-CD2 3.58Å; W47-Y55 HydrophobicContact CZ3-CD2 3.58Å; W47-Y55 HydrophobicContact CZ3-CE2 4.11Å
48T95.4Very high93Very high70 Ų7061.9 Ų61.943%0.42933%0.327SS..  trans-71.7157.717175.30000110.6K50 D51 T52T48-K50 PolarHBondContact O-N 3.42Å; T48-K50 PolarHBondContact OG1-N 3.22Å; T48-D51 WeakPolarHBondContact CB-OD2 3.46Å; T48-D51 WeakPolarHBondContact CG2-OD2 3.5Å; T48-D51 PolarHBondContact N-OD2 3.19Å; T48-D51 PolarHBondContact O-N 2.75Å; T48-D51 PolarHBondContact OG1-N 2.91Å; T48-D51 VanDerWaalsContact OG1-N 3.07Å; T48-D51 PolarHBondContact OG1-OD2 3.13Å; T48-T52 WeakPolarHBondContact O-CB 3.46Å; T48-T52 PolarHBondContact O-N 2.96Å; T48-T52 PolarHBondContact O-OG1 3.45Å
49R96.3Very high92.5Very high108 Ų10861.9 Ų61.941%0.40833%0.327SS..Hα-helixtrans-50.6-41167-178.9163.8-173.3104.40.2112.5D35 V38 E42 I53D35-R49 IonicContact OD1-CZ 3.53Å; D35-R49 VanDerWaalsContact OD1-CZ 3.22Å; D35-R49 IonicContact OD1-NH1 3.96Å; D35-R49 PolarHBondContact OD1-NH1 3.11Å; D35-R49 IonicContact OD1-NH2 3.91Å; D35-R49 PolarHBondContact OD1-NH2 3.43Å; V38-R49 HydrophobicContact CG1-CB 3.83Å; V38-R49 HydrophobicContact CG1-CG 3.76Å; V38-R49 HydrophobicContact CG2-CG 4.19Å; E42-R49 PolarHBondContact OE1-N 3.14Å; R49-I53 HydrophobicContact CG-CD1 3.81Å; R49-I53 WeakPolarHBondContact O-CB 3.47Å; R49-I53 WeakPolarHBondContact O-CD1 3.36Å; R49-I53 WeakPolarHBondContact O-CG1 3.45Å; R49-I53 PolarHBondContact O-N 3.02Å
50K95.3Very high92.1Very high172 Ų17255 Ų5575%0.74830%0.304SS*.Hα-helixtrans-64.1-49.7-180-174.3-178.2176.9-175.30111.6T48 T52 I53 S54T48-K50 PolarHBondContact O-N 3.42Å; T48-K50 PolarHBondContact OG1-N 3.22Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.26Å; K50-I53 PolarHBondContact O-N 3.42Å; K50-S54 PolarHBondContact O-N 3.02Å
51D93.6Very high91.5Very high62 Ų6254 Ų5433%0.33231%0.311SS..Hα-helixtrans-64.6-42-179.8-52.5-45.7000111.1T48 I53 S54 Y55T48-D51 WeakPolarHBondContact CB-OD2 3.46Å; T48-D51 WeakPolarHBondContact CG2-OD2 3.5Å; T48-D51 PolarHBondContact N-OD2 3.19Å; T48-D51 PolarHBondContact O-N 2.75Å; T48-D51 PolarHBondContact OG1-N 2.91Å; T48-D51 VanDerWaalsContact OG1-N 3.07Å; T48-D51 PolarHBondContact OG1-OD2 3.13Å; D51-I53 VanDerWaalsContact C-N 3.32Å; D51-I53 PolarHBondContact O-N 3.16Å; D51-S54 WeakPolarHBondContact O-CB 3.16Å; D51-S54 PolarHBondContact O-N 3.25Å; D51-Y55 HydrophobicContact CB-CE2 3.93Å; D51-Y55 VanDerWaalsContact O-CD2 3.25Å; D51-Y55 WeakPolarHBondContact O-CD2 3.15Å; D51-Y55 PolarHBondContact O-N 3.46Å
52T95.4Very high90.3Very high0 Ų054.1 Ų54.10%031%0.312CS..Hα-helixtrans-62.7-40.3179-52.70000111.6I37 V38 A41 W47 T48 K50 V56I37-T52 HydrophobicContact CG2-CG2 3.94Å; V38-T52 HydrophobicContact CG2-CG2 4.01Å; A41-T52 HydrophobicContact CB-CG2 3.7Å; A41-T52 WeakPolarHBondContact CB-OG1 3.35Å; W47-T52 WeakPolarHBondContact CB-OG1 3.49Å; W47-T52 HydrophobicContact CE3-CG2 4.31Å; T48-T52 WeakPolarHBondContact O-CB 3.46Å; T48-T52 PolarHBondContact O-N 2.96Å; T48-T52 PolarHBondContact O-OG1 3.45Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.26Å; T52-V56 VanDerWaalsContact O-CG2 3.26Å; T52-V56 WeakPolarHBondContact O-CG2 3.39Å; T52-V56 PolarHBondContact O-N 3.35Å
53I94.6Very high89.2Confident52 Ų5255.1 Ų55.127%0.26732%0.317SS..Hα-helixtrans-63.1-47.6173.5-68166.4000110.2L34 V38 R49 K50 D51 Y55 V56 E57L34-I53 HydrophobicContact CD1-CG1 4.15Å; L34-I53 HydrophobicContact CD2-CG1 4.14Å; L34-I53 HydrophobicContact CG-CG1 4.3Å; V38-I53 HydrophobicContact CG2-CG1 4.31Å; R49-I53 HydrophobicContact CG-CD1 3.81Å; R49-I53 WeakPolarHBondContact O-CB 3.47Å; R49-I53 WeakPolarHBondContact O-CD1 3.36Å; R49-I53 WeakPolarHBondContact O-CG1 3.45Å; R49-I53 PolarHBondContact O-N 3.02Å; K50-I53 PolarHBondContact O-N 3.42Å; D51-I53 VanDerWaalsContact C-N 3.32Å; D51-I53 PolarHBondContact O-N 3.16Å; I53-Y55 PolarHBondContact O-N 3.33Å; I53-V56 PolarHBondContact O-N 2.93Å; I53-V56 VanDerWaalsContact O-N 3.16Å; I53-E57 HydrophobicContact CG2-CG 4.24Å; I53-E57 WeakPolarHBondContact O-CG 3.43Å; I53-E57 PolarHBondContact O-N 2.89Å
54S93.7Very high88.5Confident53 Ų5351.9 Ų51.937%0.37128%0.283SS..Hα-helixtrans-55.2-52177.3-156.80000111.6K50 D51 V56 E57 E58K50-S54 PolarHBondContact O-N 3.02Å; D51-S54 WeakPolarHBondContact O-CB 3.16Å; D51-S54 PolarHBondContact O-N 3.25Å; S54-V56 VanDerWaalsContact C-N 3.29Å; S54-V56 PolarHBondContact O-N 2.82Å; S54-E57 PolarHBondContact O-N 3.36Å; S54-E58 WeakPolarHBondContact CB-OE1 3.29Å; S54-E58 WeakPolarHBondContact O-CB 3.33Å; S54-E58 VanDerWaalsContact O-CG 3.28Å; S54-E58 WeakPolarHBondContact O-CG 3.41Å; S54-E58 PolarHBondContact O-N 3.2Å; S54-E58 PolarHBondContact OG-OE1 3.35Å
55Y92.3Very high88.1Confident40 Ų4048.1 Ų48.116%0.15726%0.259CS..Hα-helixtrans-60.2-36.9178.9-56.8-32.5000112.5V10 K14 W47 D51 I53 C59V10-Y55 HydrophobicContact CG1-CD1 4.06Å; V10-Y55 HydrophobicContact CG1-CG 4.31Å; V10-Y55 HydrophobicContact CG2-CD1 4.16Å; K14-Y55 HydrophobicContact CD-CE2 3.88Å; K14-Y55 WeakPolarHBondContact CE-OH 3.44Å; K14-Y55 PolarHBondContact NZ-OH 3.07Å; W47-Y55 HydrophobicContact CD2-CD2 4.07Å; W47-Y55 AromaticContact CD2-CE2 3.79Å; W47-Y55 HydrophobicContact CD2-CE2 3.79Å; W47-Y55 AromaticContact CE3-CD2 3.54Å; W47-Y55 HydrophobicContact CE3-CD2 3.54Å; W47-Y55 AromaticContact CE3-CE2 3.76Å; W47-Y55 HydrophobicContact CE3-CE2 3.76Å; W47-Y55 HydrophobicContact CG-CE2 4.3Å; W47-Y55 HydrophobicContact CH2-CD2 4.14Å; W47-Y55 HydrophobicContact CH2-CE2 4.46Å; W47-Y55 HydrophobicContact CZ2-CE2 4.49Å; W47-Y55 AromaticContact CZ3-CD2 3.58Å; W47-Y55 HydrophobicContact CZ3-CD2 3.58Å; W47-Y55 HydrophobicContact CZ3-CE2 4.11Å; D51-Y55 HydrophobicContact CB-CE2 3.93Å; D51-Y55 VanDerWaalsContact O-CD2 3.25Å; D51-Y55 WeakPolarHBondContact O-CD2 3.15Å; D51-Y55 PolarHBondContact O-N 3.46Å; I53-Y55 PolarHBondContact O-N 3.33Å; Y55-C59 WeakPolarHBondContact O-CB 3.28Å; Y55-C59 PolarHBondContact O-N 2.72Å; Y55-C59 PolarHBondContact O-SG 2.92Å
56V92.8Very high87.8Confident0 Ų048.9 Ų48.90%027%0.266CS..Hα-helixtrans-67.7-48.5175.9169.90000111.4L18 L34 I37 T52 I53 S54 C59 V60 L65 Y78L18-V56 HydrophobicContact CD1-CG2 3.74Å; L18-V56 HydrophobicContact CD2-CG2 4.05Å; L18-V56 HydrophobicContact CG-CG2 4.42Å; L34-V56 HydrophobicContact CD1-CB 4.23Å; L34-V56 HydrophobicContact CD1-CG1 4.06Å; L34-V56 HydrophobicContact CD1-CG2 4.25Å; I37-V56 HydrophobicContact CG2-CG2 4.1Å; T52-V56 VanDerWaalsContact O-CG2 3.26Å; T52-V56 WeakPolarHBondContact O-CG2 3.39Å; T52-V56 PolarHBondContact O-N 3.35Å; I53-V56 PolarHBondContact O-N 2.93Å; I53-V56 VanDerWaalsContact O-N 3.16Å; S54-V56 VanDerWaalsContact C-N 3.29Å; S54-V56 PolarHBondContact O-N 2.82Å; V56-C59 PolarHBondContact O-N 2.69Å; V56-V60 WeakPolarHBondContact O-CG2 3.35Å; V56-V60 PolarHBondContact O-N 3.25Å; V56-L65 HydrophobicContact CG1-CD1 4.37Å; V56-L65 HydrophobicContact CG2-CD1 4.49Å; V56-Y78 HydrophobicContact CG1-CD1 3.72Å; V56-Y78 HydrophobicContact CG1-CD2 4.39Å; V56-Y78 HydrophobicContact CG1-CE1 3.35Å; V56-Y78 HydrophobicContact CG1-CE2 4.09Å; V56-Y78 HydrophobicContact CG1-CG 4.23Å
57E91Very high87.7Confident71 Ų7150.1 Ų50.133%0.33225%0.25SS..Hα-helixtrans-61.1-46.8178.4-65.8-54.2136.100111.5I53 S54 C59 V60 A61 R67I53-E57 HydrophobicContact CG2-CG 4.24Å; I53-E57 WeakPolarHBondContact O-CG 3.43Å; I53-E57 PolarHBondContact O-N 2.89Å; S54-E57 PolarHBondContact O-N 3.36Å; E57-C59 VanDerWaalsContact C-N 3.34Å; E57-C59 PolarHBondContact O-N 2.82Å; E57-V60 PolarHBondContact O-N 3.45Å; E57-V60 VanDerWaalsContact O-N 3.14Å; E57-A61 PolarHBondContact O-N 3.2Å; E57-R67 IonicContact OE1-CZ 3.22Å; E57-R67 IonicContact OE1-NH1 2.77Å; E57-R67 IonicContact OE1-NH2 2.73Å; E57-R67 PolarHBondContact OE1-NH2 3.32Å; E57-R67 IonicContact OE2-CZ 3.51Å; E57-R67 VanDerWaalsContact OE2-CZ 3.23Å; E57-R67 IonicContact OE2-NH1 3.69Å; E57-R67 PolarHBondContact OE2-NH1 3.28Å; E57-R67 IonicContact OE2-NH2 2.67Å; E57-R67 PolarHBondContact OE2-NH2 3.2Å
58E85.8Confident87.3Confident38 Ų3850.9 Ų50.918%0.17826%0.261CS..Hα-helixtrans-65.1-35.2177.8-68.8169.1-115.900112.5S8 S9 V10 S54 G62S8-E58 PolarHBondContact OG-O 2.91Å; S9-E58 WeakPolarHBondContact CB-OE2 3.06Å; S9-E58 PolarHBondContact OG-OE2 3.01Å; V10-E58 HydrophobicContact CG2-CB 3.41Å; V10-E58 VanDerWaalsContact CG2-CB 3.41Å; V10-E58 HydrophobicContact CG2-CG 4.2Å; V10-E58 VanDerWaalsContact CG2-OE2 3.26Å; V10-E58 WeakPolarHBondContact CG2-OE2 3.21Å; V10-E58 PolarHBondContact N-OE2 2.82Å; S54-E58 WeakPolarHBondContact CB-OE1 3.29Å; S54-E58 WeakPolarHBondContact O-CB 3.33Å; S54-E58 VanDerWaalsContact O-CG 3.28Å; S54-E58 WeakPolarHBondContact O-CG 3.41Å; S54-E58 PolarHBondContact O-N 3.2Å; S54-E58 PolarHBondContact OG-OE1 3.35Å; E58-G62 PolarHBondContact O-N 3.27Å
59C84.5Confident86.7Confident0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-68.5-35.3172.1-74.70000111.9L18 Y55 V56 E57 H63 L64 L65L18-C59 HydrophobicContact CD2-CB 4.07Å; Y55-C59 WeakPolarHBondContact O-CB 3.28Å; Y55-C59 PolarHBondContact O-N 2.72Å; Y55-C59 PolarHBondContact O-SG 2.92Å; V56-C59 PolarHBondContact O-N 2.69Å; E57-C59 VanDerWaalsContact C-N 3.34Å; E57-C59 PolarHBondContact O-N 2.82Å; C59-H63 PolarHBondContact O-N 3.01Å; C59-L64 HydrophobicContact CB-CB 4.07Å; C59-L64 CarbonylContact O-C 3.57Å; C59-L64 WeakPolarHBondContact O-CA 3.47Å; C59-L64 PolarHBondContact O-N 3.33Å; C59-L65 HydrophobicContact CB-CB 4.2Å; C59-L65 HydrophobicContact CB-CD1 4.07Å; C59-L65 HydrophobicContact CB-CG 4.03Å; C59-L65 PolarHBondContact O-N 3.49Å
60V85.1Confident85.7Confident26 Ų2647.9 Ų47.916%0.15826%0.257CS..Hα-helixtrans-68.8-43.1174.5169.90000111.2V56 E57 G62 H63 L65 R67 Y78V56-V60 WeakPolarHBondContact O-CG2 3.35Å; V56-V60 PolarHBondContact O-N 3.25Å; E57-V60 PolarHBondContact O-N 3.45Å; E57-V60 VanDerWaalsContact O-N 3.14Å; V60-G62 VanDerWaalsContact C-N 3.34Å; V60-G62 PolarHBondContact O-N 2.94Å; V60-H63 PolarHBondContact O-N 3.33Å; V60-H63 VanDerWaalsContact O-N 3.1Å; V60-L65 WeakPolarHBondContact CA-O 3.36Å; V60-L65 HydrophobicContact CG2-CB 3.8Å; V60-R67 HydrophobicContact CG1-CB 3.96Å; V60-R67 HydrophobicContact CG2-CB 4.15Å; V60-Y78 HydrophobicContact CG2-CD1 3.91Å; V60-Y78 HydrophobicContact CG2-CE1 3.82Å
61A78.5Confident84.6Confident67 Ų6751.3 Ų51.355%0.55427%0.265SS*.Hα-helixtrans-61.4-40.8175.200000112.2E57 H63E57-A61 PolarHBondContact O-N 3.2Å; A61-H63 PolarHBondContact O-N 3.3Å
62G68.6Low83.5Confident2 Ų254.7 Ų54.72%0.02129%0.287CS..THydrogen-bonded Turntrans-78.56.817400000115.4F6 E58 V60 L64F6-G62 WeakPolarHBondContact CE1-O 3.4Å; E58-G62 PolarHBondContact O-N 3.27Å; V60-G62 VanDerWaalsContact C-N 3.34Å; V60-G62 PolarHBondContact O-N 2.94Å; G62-L64 PolarHBondContact O-N 3.4Å; G62-L64 VanDerWaalsContact O-N 3.1Å
63H71.2Confident82.2Confident102 Ų10261.6 Ų61.647%0.47232%0.317SS..THydrogen-bonded Turntrans54.722.7-174.2-55.8-48.4000115.4Y4 C59 V60 A61 P81Y4-H63 AromaticContact CD1-CD2 3.86Å; C59-H63 PolarHBondContact O-N 3.01Å; V60-H63 PolarHBondContact O-N 3.33Å; V60-H63 VanDerWaalsContact O-N 3.1Å; A61-H63 PolarHBondContact O-N 3.3Å; H63-P81 WeakPolarHBondContact O-CG 3.33Å
64L74.8Confident81Confident5 Ų566.9 Ų66.93%0.02635%0.346CS..SBendtrans-83.5-19.9172.7-52.4178.6000111.5V15 W19 C59 G62 P81 V189 F190V15-L64 HydrophobicContact CG1-CB 4.06Å; V15-L64 HydrophobicContact CG1-CD1 4.05Å; V15-L64 HydrophobicContact CG2-CD1 3.99Å; W19-L64 VanDerWaalsContact CE2-O 3.26Å; W19-L64 HydrophobicContact CZ2-CB 4.23Å; W19-L64 WeakPolarHBondContact CZ2-O 3.22Å; W19-L64 PolarHBondContact NE1-O 3.41Å; C59-L64 HydrophobicContact CB-CB 4.07Å; C59-L64 CarbonylContact O-C 3.57Å; C59-L64 WeakPolarHBondContact O-CA 3.47Å; C59-L64 PolarHBondContact O-N 3.33Å; G62-L64 PolarHBondContact O-N 3.4Å; G62-L64 VanDerWaalsContact O-N 3.1Å; L64-P81 WeakPolarHBondContact O-CD 3.37Å; L64-V189 HydrophobicContact CD2-CG1 4.1Å; L64-F190 HydrophobicContact CD1-CE1 3.93Å; L64-F190 HydrophobicContact CD1-CZ 4.47Å; L64-F190 HydrophobicContact CD2-CD1 4.48Å; L64-F190 HydrophobicContact CD2-CE1 3.65Å; L64-F190 HydrophobicContact CD2-CZ 4.4Å; L64-F190 HydrophobicContact CG-CE1 4.36Å
65L83.4Confident80.4Confident1 Ų166 Ų661%0.00535%0.345CS..SBendtrans-126.7144.5163.6-77.8178.2000110L18 V22 V56 C59 V60 Y78 S79 I80L18-L65 HydrophobicContact CD2-CD1 3.51Å; L18-L65 HydrophobicContact CD2-CG 4.4Å; L18-L65 HydrophobicContact CG-CD1 4.18Å; V22-L65 HydrophobicContact CG2-CD2 4.31Å; V56-L65 HydrophobicContact CG1-CD1 4.37Å; V56-L65 HydrophobicContact CG2-CD1 4.49Å; C59-L65 HydrophobicContact CB-CB 4.2Å; C59-L65 HydrophobicContact CB-CD1 4.07Å; C59-L65 HydrophobicContact CB-CG 4.03Å; C59-L65 PolarHBondContact O-N 3.49Å; V60-L65 WeakPolarHBondContact CA-O 3.36Å; V60-L65 HydrophobicContact CG2-CB 3.8Å; L65-Y78 HydrophobicContact CD1-CD1 4.46Å; L65-S79 WeakPolarHBondContact CD2-O 3.29Å; L65-I80 HydrophobicContact CD2-CG1 3.95Å
66L84.1Confident80.3Confident77 Ų7767.2 Ų67.240%0.40336%0.355SS..EExtended strand (participates in β ladder)trans-93.4126.6166.6-58.6-178.7000108.6Y78 S79 P81L66-Y78 WeakPolarHBondContact O-CA 3.49Å; L66-S79 PolarHBondContact N-O 3.28Å; L66-S79 PolarHBondContact O-N 3.42Å; L66-P81 HydrophobicContact CD1-CB 4.23Å; L66-P81 HydrophobicContact CD2-CB 4.24Å; L66-P81 HydrophobicContact CD2-CG 4.12Å; L66-P81 HydrophobicContact CG-CB 4.03Å; L66-P81 HydrophobicContact CG-CG 3.93Å
67R90.2Very high80.2Confident90 Ų9070.3 Ų70.334%0.3437%0.368SS..EExtended strand (participates in β ladder)trans-90.6126.6167.4173.1172.2-67.5147.813.5109E57 V60 N76 Y78E57-R67 IonicContact OE1-CZ 3.22Å; E57-R67 IonicContact OE1-NH1 2.77Å; E57-R67 IonicContact OE1-NH2 2.73Å; E57-R67 PolarHBondContact OE1-NH2 3.32Å; E57-R67 IonicContact OE2-CZ 3.51Å; E57-R67 VanDerWaalsContact OE2-CZ 3.23Å; E57-R67 IonicContact OE2-NH1 3.69Å; E57-R67 PolarHBondContact OE2-NH1 3.28Å; E57-R67 IonicContact OE2-NH2 2.67Å; E57-R67 PolarHBondContact OE2-NH2 3.2Å; V60-R67 HydrophobicContact CG1-CB 3.96Å; V60-R67 HydrophobicContact CG2-CB 4.15Å; R67-N76 HydrophobicContact CG-CB 4.11Å; R67-Y78 HydrophobicContact CB-CD1 4.46Å; R67-Y78 HydrophobicContact CB-CE1 4.18Å; R67-Y78 HydrophobicContact CG-CE1 4.37Å; R67-Y78 PolarHBondContact NE-OH 3.41Å; R67-Y78 PolarHBondContact NH2-OH 3.12Å
68A86.1Confident80.2Confident33 Ų3367.4 Ų67.427%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-128.9140.317100000110.2N76 F77A68-N76 WeakPolarHBondContact O-CA 3.43Å; A68-F77 HydrophobicContact CB-CD1 4.2Å; A68-F77 HydrophobicContact CB-CD2 4.22Å; A68-F77 HydrophobicContact CB-CE1 3.66Å; A68-F77 HydrophobicContact CB-CE2 3.69Å; A68-F77 HydrophobicContact CB-CG 4.47Å; A68-F77 HydrophobicContact CB-CZ 3.39Å; A68-F77 PolarHBondContact N-O 2.99Å; A68-F77 WeakPolarHBondContact O-CD1 3.36Å; A68-F77 PolarHBondContact O-N 3.41Å
69S83.8Confident80.2Confident84 Ų8467.4 Ų67.459%0.58736%0.359SS*.EExtended strand (participates in β ladder)trans-86122.2179.553.70000111R71S69-R71 PolarHBondContact O-N 3.4Å
70D74.7Confident80.1Confident31 Ų3167.8 Ų67.817%0.16636%0.36CS..EExtended strand (participates in β ladder)trans-76.4111.4168.7-174.4-17.5000109.5V72 K73 N74 G75 F77D70-V72 PolarHBondContact O-N 3.01Å; D70-V72 WeakPolarHBondContact OD1-CA 3.25Å; D70-V72 WeakPolarHBondContact OD1-CB 3.39Å; D70-V72 PolarHBondContact OD1-N 2.81Å; D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 PolarHBondContact OD1-N 2.85Å; D70-N74 PolarHBondContact O-N 2.88Å; D70-G75 WeakPolarHBondContact CB-O 3.5Å; D70-G75 PolarHBondContact N-O 3.26Å; D70-F77 HydrophobicContact CB-CD1 4Å; D70-F77 HydrophobicContact CB-CE1 4.34Å
71R71.6Confident79.3Confident244 Ų24467.2 Ų67.292%0.92136%0.357SS*.THydrogen-bonded Turntrans-67.8-19.3178.8-66.1-175.3178-173.7-1.2113.5S69S69-R71 PolarHBondContact O-N 3.4Å
72V71.1Confident78.5Confident133 Ų13370.3 Ų70.381%0.80637%0.369SS*.THydrogen-bonded Turntrans-90.7-39.3-176.6-173.80000111D70D70-V72 PolarHBondContact O-N 3.01Å; D70-V72 WeakPolarHBondContact OD1-CA 3.25Å; D70-V72 WeakPolarHBondContact OD1-CB 3.39Å; D70-V72 PolarHBondContact OD1-N 2.81Å
73K69.5Low77.8Confident145 Ų14574.1 Ų74.163%0.6339%0.388SS*.THydrogen-bonded Turntrans-102.33-175.2-63.6-178.3-178.3173.30114.8D70 G75D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 PolarHBondContact OD1-N 2.85Å; K73-G75 VanDerWaalsContact C-N 3.27Å; K73-G75 PolarHBondContact O-N 2.67Å
74N69Low76.5Confident162 Ų16276.2 Ų76.287%0.86640%0.402SS*.THydrogen-bonded Turntrans49.346.1-177.6-162.430.3000113.1D70D70-N74 PolarHBondContact O-N 2.88Å
75G80.7Confident75.2Confident34 Ų3485 Ų8535%0.35144%0.443SS..EExtended strand (participates in β ladder)trans-151.1168.2-174.400000112.3D70 K73D70-G75 WeakPolarHBondContact CB-O 3.5Å; D70-G75 PolarHBondContact N-O 3.26Å; K73-G75 VanDerWaalsContact C-N 3.27Å; K73-G75 PolarHBondContact O-N 2.67Å
76N89.9Confident73.3Confident67 Ų6792.4 Ų92.436%0.35848%0.478SS..EExtended strand (participates in β ladder)trans-96.4137179.6-69.8-46.3000111.6R67 A68 Y78R67-N76 HydrophobicContact CG-CB 4.11Å; A68-N76 WeakPolarHBondContact O-CA 3.43Å; N76-Y78 HydrophobicContact CB-CE2 4.41Å
77F90.2Very high71.8Confident65 Ų6593.5 Ų93.529%0.28549%0.488SS..EExtended strand (participates in β ladder)trans-111.2151.9163.967-83.6000110.6T31 A32 A68 D70T31-F77 HydrophobicContact CG2-CB 3.78Å; T31-F77 HydrophobicContact CG2-CD1 4.5Å; T31-F77 HydrophobicContact CG2-CD2 4.39Å; T31-F77 HydrophobicContact CG2-CG 4.01Å; A32-F77 WeakPolarHBondContact O-CA 3.4Å; A68-F77 HydrophobicContact CB-CD1 4.2Å; A68-F77 HydrophobicContact CB-CD2 4.22Å; A68-F77 HydrophobicContact CB-CE1 3.66Å; A68-F77 HydrophobicContact CB-CE2 3.69Å; A68-F77 HydrophobicContact CB-CG 4.47Å; A68-F77 HydrophobicContact CB-CZ 3.39Å; A68-F77 PolarHBondContact N-O 2.99Å; A68-F77 WeakPolarHBondContact O-CD1 3.36Å; A68-F77 PolarHBondContact O-N 3.41Å; D70-F77 HydrophobicContact CB-CD1 4Å; D70-F77 HydrophobicContact CB-CE1 4.34Å
78Y91.3Very high70.3Confident9 Ų991 Ų914%0.03548%0.48CS..EExtended strand (participates in β ladder)trans-113.5131.6-176-59.9-85000109.5A32 L34 I37 V56 V60 L65 L66 R67 N76A32-Y78 WeakPolarHBondContact O-CD2 3.33Å; A32-Y78 PolarHBondContact O-N 3.39Å; L34-Y78 HydrophobicContact CB-CE2 3.96Å; L34-Y78 HydrophobicContact CD1-CE2 4.22Å; I37-Y78 HydrophobicContact CD1-CD2 3.63Å; I37-Y78 HydrophobicContact CD1-CG 4.02Å; V56-Y78 HydrophobicContact CG1-CD1 3.72Å; V56-Y78 HydrophobicContact CG1-CD2 4.39Å; V56-Y78 HydrophobicContact CG1-CE1 3.35Å; V56-Y78 HydrophobicContact CG1-CE2 4.09Å; V56-Y78 HydrophobicContact CG1-CG 4.23Å; V60-Y78 HydrophobicContact CG2-CD1 3.91Å; V60-Y78 HydrophobicContact CG2-CE1 3.82Å; L65-Y78 HydrophobicContact CD1-CD1 4.46Å; L66-Y78 WeakPolarHBondContact O-CA 3.49Å; R67-Y78 HydrophobicContact CB-CD1 4.46Å; R67-Y78 HydrophobicContact CB-CE1 4.18Å; R67-Y78 HydrophobicContact CG-CE1 4.37Å; R67-Y78 PolarHBondContact NE-OH 3.41Å; R67-Y78 PolarHBondContact NH2-OH 3.12Å; N76-Y78 HydrophobicContact CB-CE2 4.41Å
79S86.9Confident69.6Low39 Ų3997 Ų9727%0.27350%0.502SS..EExtended strand (participates in β ladder)trans-125.1156.3172.165.20000109.8L65 L66L65-S79 WeakPolarHBondContact CD2-O 3.29Å; L66-S79 PolarHBondContact N-O 3.28Å; L66-S79 PolarHBondContact O-N 3.42Å
80I80.5Confident69.6Low7 Ų795.8 Ų95.84%0.03649%0.487CS..  trans-87.8128.8179-54.7169.5000106.6W19 V22 L65 V82 N186W19-I80 HydrophobicContact CB-CD1 3.68Å; W19-I80 HydrophobicContact CD2-CD1 4.45Å; W19-I80 HydrophobicContact CD2-CG2 3.85Å; W19-I80 VanDerWaalsContact CE2-CG2 3.44Å; W19-I80 HydrophobicContact CG-CD1 3.68Å; W19-I80 HydrophobicContact CG-CG1 4.02Å; W19-I80 HydrophobicContact CG-CG2 4.12Å; W19-I80 HydrophobicContact CH2-CG2 4.47Å; W19-I80 HydrophobicContact CZ2-CG2 3.76Å; W19-I80 WeakPolarHBondContact O-CD1 2.97Å; V22-I80 HydrophobicContact CB-CD1 4.07Å; V22-I80 HydrophobicContact CB-CG1 4.19Å; V22-I80 HydrophobicContact CG1-CD1 4.01Å; V22-I80 HydrophobicContact CG1-CG1 3.78Å; L65-I80 HydrophobicContact CD2-CG1 3.95Å; I80-V82 PolarHBondContact O-N 3.47Å; I80-N186 WeakPolarHBondContact CD1-ND2 3.18Å; I80-N186 HydrophobicContact CG2-CB 3.69Å; I80-N186 WeakPolarHBondContact CG2-ND2 3.27Å
81P69.3Low70.2Confident15 Ų1594.4 Ų94.410%0.09748%0.479CS..  trans-56125.2-176.7-14.318.4000110.9H63 L64 L66 L83H63-P81 WeakPolarHBondContact O-CG 3.33Å; L64-P81 WeakPolarHBondContact O-CD 3.37Å; L66-P81 HydrophobicContact CD1-CB 4.23Å; L66-P81 HydrophobicContact CD2-CB 4.24Å; L66-P81 HydrophobicContact CD2-CG 4.12Å; L66-P81 HydrophobicContact CG-CB 4.03Å; L66-P81 HydrophobicContact CG-CG 3.93Å; P81-L83 PolarHBondContact O-N 2.84Å; P81-L83 VanDerWaalsContact O-N 3.16Å
82V62.4Low70.8Confident131 Ų13183.8 Ų83.879%0.79444%0.44SS*.  trans-79.793.6162.9-177.20000105.7I80 L84I80-V82 PolarHBondContact O-N 3.47Å; V82-L84 PolarHBondContact O-N 3.17Å; V82-L84 VanDerWaalsContact O-N 3.15Å
83L53Low71.7Confident82 Ų8277.5 Ų77.543%0.42940%0.402SS..  trans-64.3115.8168.4-88.6115.6000108.5P81 V189P81-L83 PolarHBondContact O-N 2.84Å; P81-L83 VanDerWaalsContact O-N 3.16Å; L83-V189 HydrophobicContact CD1-CB 4.09Å; L83-V189 HydrophobicContact CD1-CG1 3.76Å; L83-V189 HydrophobicContact CD1-CG2 3.35Å
84L44.8Very low72.8Confident147 Ų14770.6 Ų70.677%0.7737%0.372SS*.  trans-56.3157155.4-76.3151.6000108.8V82 E86V82-L84 PolarHBondContact O-N 3.17Å; V82-L84 VanDerWaalsContact O-N 3.15Å; L84-E86 PolarHBondContact O-N 3.02Å
85E47.8Very low74Confident190 Ų19063.3 Ų63.389%0.88833%0.333SS*.SBendtrans-65.719.6-165.4-67.4173.713300116.5V87E85-V87 PolarHBondContact O-N 3.4Å
86E43.4Very low74.6Confident155 Ų15566.4 Ų66.472%0.72434%0.342SS*.  trans-62.7105.2168.8-67.9-174.9-175.700109.6L84 M88L84-E86 PolarHBondContact O-N 3.02Å; E86-M88 PolarHBondContact O-N 3.3Å
87V52.5Low74.7Confident101 Ų10165.1 Ų65.161%0.61234%0.337SS*.  trans-58.7128.7175.7-178.10000108.6E85 E89E85-V87 PolarHBondContact O-N 3.4Å; V87-E89 VanDerWaalsContact C-N 3.33Å; V87-E89 PolarHBondContact O-N 3.38Å
88M57.1Low74.8Confident38 Ų3863.3 Ų63.319%0.18733%0.33CS..  trans-68.695.9166.3-71.4-115.8-63.400107.5E86 K90 I92E86-M88 PolarHBondContact O-N 3.3Å; M88-K90 PolarHBondContact O-N 2.86Å; M88-I92 HydrophobicContact CE-CD1 4.06Å; M88-I92 HydrophobicContact CE-CG1 4.02Å; M88-I92 HydrophobicContact CE-CG2 3.83Å
89E72.1Confident74.5Confident157 Ų15766.8 Ų66.873%0.73435%0.346SS*.SBendtrans-57.5-22.2-177.4-67.4-172.6165.100113.6V87 F110V87-E89 VanDerWaalsContact C-N 3.33Å; V87-E89 PolarHBondContact O-N 3.38Å; E89-F110 WeakPolarHBondContact O-CA 3.46Å; E89-F110 VanDerWaalsContact O-CB 3.25Å; E89-F110 WeakPolarHBondContact O-CB 3.41Å
90K84.9Confident74.2Confident60 Ų6066.2 Ų66.226%0.26134%0.34SS..SBendtrans-132.1146.2-177.8-56.5-63.8170.1176.10109.7M88 N105 C106 C109 F110M88-K90 PolarHBondContact O-N 2.86Å; K90-N105 HydrophobicContact CD-CB 4.14Å; K90-N105 HydrophobicContact CG-CB 4.31Å; K90-C106 PolarHBondContact NZ-O 3.29Å; K90-C109 PolarHBondContact NZ-O 3.07Å; K90-F110 CarbonylContact C-O 3.55Å; K90-F110 WeakPolarHBondContact CA-O 3.33Å
91D87.3Confident73.9Confident2 Ų266.8 Ų66.81%0.01135%0.347CS..  trans-70.7152169.3-138.5-54.7000111.1Y93 F110 A112 A192 H224D91-Y93 PolarHBondContact OD1-N 2.97Å; D91-F110 PolarHBondContact N-O 2.98Å; D91-A112 HydrophobicContact CB-CB 4.28Å; D91-A112 VanDerWaalsContact O-CB 3.28Å; D91-A112 WeakPolarHBondContact O-CB 3.35Å; D91-A192 HydrophobicContact CB-CB 4.04Å; D91-A192 WeakPolarHBondContact OD2-CB 3.13Å; D91-H224 IonicContact OD1-NE2 2.69Å; D91-H224 IonicContact OD2-CD2 2.82Å; D91-H224 IonicContact OD2-NE2 3.94Å
92I84.2Confident74.6Confident20 Ų2072.5 Ų72.510%0.10338%0.377CS..SBendtrans-106.5-12.717260.5172.1000111.3F6 M88 L100F6-I92 HydrophobicContact CD1-CD1 4.28Å; F6-I92 HydrophobicContact CE1-CD1 4.28Å; M88-I92 HydrophobicContact CE-CD1 4.06Å; M88-I92 HydrophobicContact CE-CG1 4.02Å; M88-I92 HydrophobicContact CE-CG2 3.83Å; I92-L100 HydrophobicContact CB-CD1 3.86Å; I92-L100 HydrophobicContact CD1-CD1 3.94Å; I92-L100 HydrophobicContact CG1-CD1 3.94Å; I92-L100 VanDerWaalsContact O-CD1 3.29Å; I92-L100 WeakPolarHBondContact O-CD1 3.28Å
93Y88.1Confident75.8Confident1 Ų167.6 Ų67.60%0.00435%0.347CS..BIsolated β-bridgetrans-93.5141.8175.4-64.8-81000110.8P12 D91 F95 H98 L100 F190 I228P12-Y93 HydrophobicContact CG-CD1 4.36Å; P12-Y93 HydrophobicContact CG-CE1 3.46Å; P12-Y93 VanDerWaalsContact CG-CE1 3.46Å; D91-Y93 PolarHBondContact OD1-N 2.97Å; Y93-F95 PolarHBondContact O-N 3.33Å; Y93-H98 WeakPolarHBondContact CD1-O 3.43Å; Y93-L100 HydrophobicContact CD1-CB 4.09Å; Y93-L100 HydrophobicContact CE1-CB 3.73Å; Y93-F190 WeakPolarHBondContact CD2-O 2.47Å; Y93-F190 HydrophobicContact CE2-CB 3.69Å; Y93-F190 AromaticContact CE2-CD1 3.99Å; Y93-F190 HydrophobicContact CE2-CD1 3.99Å; Y93-F190 HydrophobicContact CE2-CG 4.23Å; Y93-F190 AromaticContact CZ-CD1 3.94Å; Y93-F190 WeakPolarHBondContact OH-CD1 3.14Å; Y93-I228 HydrophobicContact CD1-CD1 4.4Å; Y93-I228 HydrophobicContact CD1-CG1 4.12Å; Y93-I228 HydrophobicContact CD2-CD1 3.51Å; Y93-I228 HydrophobicContact CD2-CG1 4.04Å; Y93-I228 HydrophobicContact CD2-CG2 4.39Å; Y93-I228 HydrophobicContact CE2-CD1 4.29Å; Y93-I228 HydrophobicContact CE2-CG2 4.14Å; Y93-I228 HydrophobicContact CG-CD1 3.6Å; Y93-I228 HydrophobicContact CG-CG1 3.8Å
94C92.7Very high77.5Confident0 Ų066.5 Ų66.50%034%0.338CS..BIsolated β-bridgetrans-69.6127.7174.4171.50000110.6N96 H98 Q99 V103 A112 H114 C117 H224C94-N96 PolarHBondContact O-N 3.37Å; C94-N96 VanDerWaalsContact O-N 3.12Å; C94-N96 PolarHBondContact SG-N 3.1Å; C94-N96 VanDerWaalsContact SG-N 3.41Å; C94-H98 WeakPolarHBondContact O-CA 3.21Å; C94-H98 PolarHBondContact O-N 3.5Å; C94-Q99 PolarHBondContact N-O 2.89Å; C94-V103 HydrophobicContact CB-CG1 4.05Å; C94-A112 CarbonylContact C-O 3.1Å; C94-A112 WeakPolarHBondContact CA-O 3.43Å; C94-H114 WeakPolarHBondContact CB-ND1 3.3Å; C94-H114 PolarHBondContact SG-N 3.36Å; C94-H114 VanDerWaalsContact SG-N 3.42Å; C94-C117 VanDerWaalsContact SG-CB 3.52Å; C94-H224 PolarHBondContact O-CE1 3.36Å
95F94.7Very high79.7Confident9 Ų962.9 Ų62.94%0.03932%0.319CS..THydrogen-bonded Turntrans-63-20.4-178.9-115.5-106.3000114.6Y93 H98 F110 R111 A112 F113 E220 I221 H224Y93-F95 PolarHBondContact O-N 3.33Å; F95-H98 PolarHBondContact O-CE1 3.49Å; F95-F110 AromaticContact CE2-CE2 3.91Å; F95-F110 HydrophobicContact CE2-CE2 3.91Å; F95-F110 AromaticContact CZ-CE2 3.9Å; F95-F110 HydrophobicContact CZ-CE2 3.9Å; F95-F110 HydrophobicContact CZ-CZ 4.48Å; F95-R111 HydrophobicContact CD1-CG 3.9Å; F95-R111 HydrophobicContact CD2-CB 3.89Å; F95-R111 HydrophobicContact CD2-CG 3.76Å; F95-R111 HydrophobicContact CE1-CG 3.91Å; F95-R111 VanDerWaalsContact CE1-NE 3.29Å; F95-R111 HydrophobicContact CE2-CB 4.3Å; F95-R111 HydrophobicContact CE2-CG 3.77Å; F95-R111 HydrophobicContact CG-CB 4.06Å; F95-R111 HydrophobicContact CG-CG 3.83Å; F95-R111 HydrophobicContact CZ-CG 3.85Å; F95-A112 PolarHBondContact N-O 3.28Å; F95-F113 HydrophobicContact CB-CD1 4.14Å; F95-F113 HydrophobicContact CB-CE1 3.5Å; F95-F113 HydrophobicContact CB-CE2 4.04Å; F95-F113 HydrophobicContact CB-CZ 3.43Å; F95-F113 VanDerWaalsContact CB-CZ 3.43Å; F95-F113 HydrophobicContact CG-CZ 4.36Å; F95-E220 HydrophobicContact CD1-CG 4.15Å; F95-E220 HydrophobicContact CE1-CG 4.07Å; F95-I221 HydrophobicContact CE1-CG1 4.11Å; F95-I221 HydrophobicContact CZ-CB 4.47Å; F95-I221 HydrophobicContact CZ-CG1 3.93Å; F95-H224 HydrophobicContact CD1-CB 4.47Å; F95-H224 AromaticContact CD2-CD2 3.89Å; F95-H224 AromaticContact CD2-CE1 3.47Å; F95-H224 VanDerWaalsContact CD2-CE1 3.47Å; F95-H224 WeakPolarHBondContact CD2-CE1 3.42Å; F95-H224 AromaticContact CD2-CG 3.9Å; F95-H224 AromaticContact CD2-ND1 3.63Å; F95-H224 AromaticContact CD2-NE2 3.61Å; F95-H224 HydrophobicContact CE1-CB 3.99Å; F95-H224 HydrophobicContact CE2-CB 4.31Å; F95-H224 AromaticContact CE2-CD2 3.36Å; F95-H224 WeakPolarHBondContact CE2-CD2 3.44Å; F95-H224 AromaticContact CE2-CE1 3.77Å; F95-H224 AromaticContact CE2-CG 3.61Å; F95-H224 AromaticContact CE2-ND1 3.85Å; F95-H224 AromaticContact CE2-NE2 3.46Å; F95-H224 WeakPolarHBondContact CE2-NE2 3.46Å; F95-H224 AromaticContact CG-ND1 3.83Å; F95-H224 HydrophobicContact CZ-CB 3.89Å; F95-H224 AromaticContact CZ-CD2 3.75Å; F95-H224 AromaticContact CZ-CG 3.71Å
96N93.5Very high81.9Confident100 Ų10054 Ų5454%0.53528%0.277SS..THydrogen-bonded Turntrans-91.4-45.1-178.6-173.769000114.1C94 F113 C117C94-N96 PolarHBondContact O-N 3.37Å; C94-N96 VanDerWaalsContact O-N 3.12Å; C94-N96 PolarHBondContact SG-N 3.1Å; C94-N96 VanDerWaalsContact SG-N 3.41Å; N96-F113 HydrophobicContact CB-CD1 4.31Å; N96-C117 HydrophobicContact CB-CB 4Å
97C93.1Very high84.1Confident39 Ų3950.4 Ų50.426%0.26427%0.266SS..THydrogen-bonded Turntrans-109-4.9-176.573.50000114.2Q99 H114C97-Q99 WeakPolarHBondContact O-CG 3.41Å; C97-Q99 PolarHBondContact O-N 2.98Å; C97-Q99 PolarHBondContact O-NE2 2.82Å; C97-H114 PolarHBondContact SG-CE1 3.11Å; C97-H114 PolarHBondContact SG-ND1 2.98Å
98H90.8Very high85.9Confident28 Ų2849 Ų4913%0.1326%0.261CS..  trans60.211.5-180-44.1-72.2000115.4Y93 C94 F95 H224 N227Y93-H98 WeakPolarHBondContact CD1-O 3.43Å; C94-H98 WeakPolarHBondContact O-CA 3.21Å; C94-H98 PolarHBondContact O-N 3.5Å; F95-H98 PolarHBondContact O-CE1 3.49Å; H98-H224 AromaticContact CE1-ND1 3.64Å; H98-H224 AromaticContact ND1-CE1 3.85Å; H98-H224 AromaticContact ND1-CG 3.69Å; H98-H224 AromaticContact ND1-ND1 2.99Å; H98-H224 PolarHBondContact ND1-ND1 3.48Å; H98-N227 HydrophobicContact CB-CB 3.66Å; H98-N227 PolarHBondContact CD2-ND2 2.91Å; H98-N227 PolarHBondContact NE2-ND2 2.93Å
99Q85.3Confident87.6Confident81 Ų8148.3 Ų48.338%0.37926%0.26SS..  trans-91.9153.5176.7-53.6-45.6-57.100111.8C94 C97 H114C94-Q99 PolarHBondContact N-O 2.89Å; C97-Q99 WeakPolarHBondContact O-CG 3.41Å; C97-Q99 PolarHBondContact O-N 2.98Å; C97-Q99 PolarHBondContact O-NE2 2.82Å; Q99-H114 VanDerWaalsContact CA-CE1 3.42Å; Q99-H114 WeakPolarHBondContact CA-CE1 3.49Å; Q99-H114 WeakPolarHBondContact CB-CE1 3.33Å; Q99-H114 PolarHBondContact O-CE1 3.37Å
100L81.2Confident88.6Confident28 Ų2842.2 Ų42.215%0.14723%0.231CC..BIsolated β-bridgetrans-75.7150.5169.2-174.555.1000109.7S8 I92 Y93 H114S8-L100 WeakPolarHBondContact O-CD2 3.29Å; I92-L100 HydrophobicContact CB-CD1 3.86Å; I92-L100 HydrophobicContact CD1-CD1 3.94Å; I92-L100 HydrophobicContact CG1-CD1 3.94Å; I92-L100 VanDerWaalsContact O-CD1 3.29Å; I92-L100 WeakPolarHBondContact O-CD1 3.28Å; Y93-L100 HydrophobicContact CD1-CB 4.09Å; Y93-L100 HydrophobicContact CE1-CB 3.73Å; L100-H114 PolarHBondContact O-NE2 3.26Å
101G74.8Confident89Confident18 Ų1839.7 Ų39.719%0.18622%0.22CC..SBendtrans162.9-157.9171.900000112.4V103 H114G101-V103 VanDerWaalsContact C-N 3.3Å; G101-V103 PolarHBondContact O-N 2.73Å; G101-H114 WeakPolarHBondContact CA-NE2 3.3Å; G101-H114 PolarHBondContact N-NE2 2.89Å
102N82.9Confident89.3Confident136 Ų13639.6 Ų39.673%0.72722%0.219SC*.SBendtrans-75.779.3179.9-174.124.6000111.5
103V87.6Confident89.7Confident28 Ų2839.2 Ų39.217%0.1722%0.217CC..PPolyproline II helixtrans-88.2142.2-177.7-64.40000112.7C94 G101 A112 F113C94-V103 HydrophobicContact CB-CG1 4.05Å; G101-V103 VanDerWaalsContact C-N 3.3Å; G101-V103 PolarHBondContact O-N 2.73Å; V103-A112 HydrophobicContact CB-CB 3.81Å; V103-A112 HydrophobicContact CG2-CB 3.66Å; V103-F113 CarbonylContact C-O 3.56Å; V103-F113 WeakPolarHBondContact CA-O 3.29Å
104R89.9Confident89.8Confident59 Ų5939.9 Ų39.922%0.22322%0.22CC..EExtended strand (participates in β ladder)trans-90.6129166.8-66.1177.466.9-157.81.3109A112 F113 T115 F122 M127 L129R104-A112 CarbonylContact O-C 3.49Å; R104-A112 WeakPolarHBondContact O-CA 3.49Å; R104-F113 PolarHBondContact N-O 2.96Å; R104-F113 PolarHBondContact O-N 3.2Å; R104-T115 WeakPolarHBondContact CD-OG1 3.26Å; R104-F122 PolarHBondContact NH1-O 2.86Å; R104-M127 PolarHBondContact NH2-O 3.4Å; R104-L129 HydrophobicContact CB-CD2 3.83Å; R104-L129 VanDerWaalsContact O-CD2 3.31Å; R104-L129 WeakPolarHBondContact O-CD2 3.46Å
105N90.5Very high89.6Confident71 Ų7142.3 Ų42.338%0.3824%0.235SC..EExtended strand (participates in β ladder)trans-85.7138.8-179-68.2-17.2000111.9K90 A112K90-N105 HydrophobicContact CD-CB 4.14Å; K90-N105 HydrophobicContact CG-CB 4.31Å; N105-A112 WeakPolarHBondContact OD1-CB 3.2Å
106C92.7Very high89.4Confident2 Ų249.1 Ų49.11%0.01427%0.267CS..PPolyproline II helixtrans-63.5140.1168.5-173.40000110.5K90 S108 C109 R111 L129 C131K90-C106 PolarHBondContact NZ-O 3.29Å; C106-S108 PolarHBondContact SG-OG 2.7Å; C106-C109 VanDerWaalsContact SG-SG 3.66Å; C106-R111 WeakPolarHBondContact CB-O 3.29Å; C106-R111 PolarHBondContact N-O 2.85Å; C106-L129 CarbonylContact C-O 3.57Å; C106-L129 WeakPolarHBondContact CA-O 3.47Å; C106-C131 HydrophobicContact CB-CB 4.02Å; C106-C131 PolarHBondContact SG-N 3.25Å; C106-C131 VanDerWaalsContact SG-N 3.37Å
107T91.2Very high89.4Confident80 Ų8045.7 Ų45.749%0.49125%0.25SS..SBendtrans-78.4-2317852.50000113.9L128 L129T107-L128 HydrophobicContact CG2-CB 3.89Å; T107-L128 HydrophobicContact CG2-CD1 4.33Å; T107-L128 HydrophobicContact CG2-CD2 4.02Å; T107-L128 HydrophobicContact CG2-CG 4.29Å; T107-L129 PolarHBondContact N-O 2.94Å; T107-L129 PolarHBondContact OG1-O 3.29Å
108S90Very high89.2Confident72 Ų7244.4 Ų44.450%0.50324%0.241SC..SBendtrans-103.9-18.1-175.858.10000115.2C106 L130 C134C106-S108 PolarHBondContact SG-OG 2.7Å; S108-L130 WeakPolarHBondContact OG-CD1 3.33Å; S108-C134 WeakPolarHBondContact OG-CB 3.34Å; S108-C134 PolarHBondContact OG-SG 3.08Å
109C93Very high88.9Confident23 Ų2346.3 Ų46.316%0.15526%0.256CS..SBendtrans-140.5-177.2178.474.60000111.3K90 C106 C134K90-C109 PolarHBondContact NZ-O 3.07Å; C106-C109 VanDerWaalsContact SG-SG 3.66Å; C109-C134 PolarHBondContact SG-SG 2.85Å
110F92.1Very high88.6Confident29 Ų2951.2 Ų51.213%0.12728%0.279CS..SBendtrans-77-21.9-17860.8-89.4000114.2E89 K90 D91 F95 A192 H193 I221E89-F110 WeakPolarHBondContact O-CA 3.46Å; E89-F110 VanDerWaalsContact O-CB 3.25Å; E89-F110 WeakPolarHBondContact O-CB 3.41Å; K90-F110 CarbonylContact C-O 3.55Å; K90-F110 WeakPolarHBondContact CA-O 3.33Å; D91-F110 PolarHBondContact N-O 2.98Å; F95-F110 AromaticContact CE2-CE2 3.91Å; F95-F110 HydrophobicContact CE2-CE2 3.91Å; F95-F110 AromaticContact CZ-CE2 3.9Å; F95-F110 HydrophobicContact CZ-CE2 3.9Å; F95-F110 HydrophobicContact CZ-CZ 4.48Å; F110-A192 HydrophobicContact CD2-CB 4.22Å; F110-H193 HydrophobicContact CD1-CB 4.02Å; F110-H193 AromaticContact CD1-CD2 3.72Å; F110-H193 HydrophobicContact CD2-CB 3.94Å; F110-H193 HydrophobicContact CE1-CB 3.58Å; F110-H193 AromaticContact CE1-CD2 3.33Å; F110-H193 WeakPolarHBondContact CE1-CD2 3.36Å; F110-H193 AromaticContact CE1-CG 3.6Å; F110-H193 HydrophobicContact CE2-CB 3.48Å; F110-H193 VanDerWaalsContact CE2-CB 3.48Å; F110-H193 HydrophobicContact CG-CB 4.19Å; F110-H193 HydrophobicContact CZ-CB 3.28Å; F110-H193 AromaticContact CZ-CD2 3.94Å; F110-H193 AromaticContact CZ-CG 3.7Å; F110-I221 HydrophobicContact CE1-CD1 4.19Å; F110-I221 HydrophobicContact CE2-CG1 4.43Å; F110-I221 HydrophobicContact CZ-CD1 3.58Å; F110-I221 HydrophobicContact CZ-CG1 3.76Å; F110-I221 HydrophobicContact CZ-CG2 4.38Å
111R93.9Very high88.5Confident8 Ų854 Ų543%0.0329%0.294CS..  trans-57.1143.6-172.7-62-179.2168.477.2-9.4113.2F95 C106 F113 S133 S217 E220F95-R111 HydrophobicContact CD1-CG 3.9Å; F95-R111 HydrophobicContact CD2-CB 3.89Å; F95-R111 HydrophobicContact CD2-CG 3.76Å; F95-R111 HydrophobicContact CE1-CG 3.91Å; F95-R111 VanDerWaalsContact CE1-NE 3.29Å; F95-R111 HydrophobicContact CE2-CB 4.3Å; F95-R111 HydrophobicContact CE2-CG 3.77Å; F95-R111 HydrophobicContact CG-CB 4.06Å; F95-R111 HydrophobicContact CG-CG 3.83Å; F95-R111 HydrophobicContact CZ-CG 3.85Å; C106-R111 WeakPolarHBondContact CB-O 3.29Å; C106-R111 PolarHBondContact N-O 2.85Å; R111-F113 HydrophobicContact CB-CE2 3.78Å; R111-F113 HydrophobicContact CB-CZ 4.35Å; R111-S133 WeakPolarHBondContact CD-OG 3.18Å; R111-S133 PolarHBondContact NE-OG 3.27Å; R111-S217 PolarHBondContact NH1-OG 3.24Å; R111-S217 PolarHBondContact NH2-O 3.37Å; R111-S217 PolarHBondContact NH2-OG 2.83Å; R111-E220 IonicContact CZ-OE2 3.37Å; R111-E220 IonicContact NE-OE2 3.28Å; R111-E220 PolarHBondContact NE-OE2 3.04Å; R111-E220 IonicContact NH2-OE2 3.19Å; R111-E220 PolarHBondContact NH2-OE2 2.95Å
112A92.5Very high88.6Confident0 Ų054.2 Ų54.20%029%0.289CS..EExtended strand (participates in β ladder)trans-128.4155.3177.400000111.7D91 C94 F95 V103 R104 N105D91-A112 HydrophobicContact CB-CB 4.28Å; D91-A112 VanDerWaalsContact O-CB 3.28Å; D91-A112 WeakPolarHBondContact O-CB 3.35Å; C94-A112 CarbonylContact C-O 3.1Å; C94-A112 WeakPolarHBondContact CA-O 3.43Å; F95-A112 PolarHBondContact N-O 3.28Å; V103-A112 HydrophobicContact CB-CB 3.81Å; V103-A112 HydrophobicContact CG2-CB 3.66Å; R104-A112 CarbonylContact O-C 3.49Å; R104-A112 WeakPolarHBondContact O-CA 3.49Å; N105-A112 WeakPolarHBondContact OD1-CB 3.2Å
113F93.2Very high87.8Confident11 Ų1150.2 Ų50.25%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-146.6139.2-175.5-62.1-101.4000112.4F95 N96 V103 R104 R111 L118 L129 C131F95-F113 HydrophobicContact CB-CD1 4.14Å; F95-F113 HydrophobicContact CB-CE1 3.5Å; F95-F113 HydrophobicContact CB-CE2 4.04Å; F95-F113 HydrophobicContact CB-CZ 3.43Å; F95-F113 VanDerWaalsContact CB-CZ 3.43Å; F95-F113 HydrophobicContact CG-CZ 4.36Å; N96-F113 HydrophobicContact CB-CD1 4.31Å; V103-F113 CarbonylContact C-O 3.56Å; V103-F113 WeakPolarHBondContact CA-O 3.29Å; R104-F113 PolarHBondContact N-O 2.96Å; R104-F113 PolarHBondContact O-N 3.2Å; R111-F113 HydrophobicContact CB-CE2 3.78Å; R111-F113 HydrophobicContact CB-CZ 4.35Å; F113-L118 HydrophobicContact CB-CD1 4.01Å; F113-L118 HydrophobicContact CB-CD2 3.67Å; F113-L118 HydrophobicContact CB-CG 3.68Å; F113-L118 HydrophobicContact CD1-CD2 3.82Å; F113-L118 HydrophobicContact CD2-CD2 4.24Å; F113-L118 HydrophobicContact CG-CD2 3.65Å; F113-L118 HydrophobicContact CG-CG 4.24Å; F113-L129 HydrophobicContact CD2-CD2 4.2Å; F113-C131 HydrophobicContact CD2-CB 4.14Å; F113-C131 HydrophobicContact CE2-CB 3.33Å; F113-C131 HydrophobicContact CZ-CB 3.88Å
114H90.4Very high86.8Confident15 Ų1551.3 Ų51.37%0.06928%0.281CS..  trans-64.7156.2164.4-55117.8000110.4C94 C97 Q99 L100 G101 E116 C117 L118C94-H114 WeakPolarHBondContact CB-ND1 3.3Å; C94-H114 PolarHBondContact SG-N 3.36Å; C94-H114 VanDerWaalsContact SG-N 3.42Å; C97-H114 PolarHBondContact SG-CE1 3.11Å; C97-H114 PolarHBondContact SG-ND1 2.98Å; Q99-H114 VanDerWaalsContact CA-CE1 3.42Å; Q99-H114 WeakPolarHBondContact CA-CE1 3.49Å; Q99-H114 WeakPolarHBondContact CB-CE1 3.33Å; Q99-H114 PolarHBondContact O-CE1 3.37Å; L100-H114 PolarHBondContact O-NE2 3.26Å; G101-H114 WeakPolarHBondContact CA-NE2 3.3Å; G101-H114 PolarHBondContact N-NE2 2.89Å; H114-E116 VanDerWaalsContact CB-CD 3.5Å; H114-E116 HydrophobicContact CB-CG 4.2Å; H114-E116 WeakPolarHBondContact CB-OE1 3.47Å; H114-E116 WeakPolarHBondContact CB-OE2 3.47Å; H114-E116 IonicContact CG-OE1 2.71Å; H114-C117 HydrophobicContact CB-CB 3.98Å; H114-C117 PolarHBondContact O-N 3.43Å; H114-L118 PolarHBondContact O-N 3.05Å
115T89.4Confident85.8Confident51 Ų5153.2 Ų53.231%0.31331%0.31SS..SBendtrans-71.5-39.4-174.4-57.80000111R104 C117 L118R104-T115 WeakPolarHBondContact CD-OG1 3.26Å; T115-C117 PolarHBondContact O-N 2.78Å; T115-L118 PolarHBondContact O-N 2.94Å
116E90.3Very high84.7Confident153 Ų15353.3 Ų53.372%0.71533%0.327SS*.THydrogen-bonded Turntrans-69-16.3172.464.8-85.1-158.300114H114H114-E116 VanDerWaalsContact CB-CD 3.5Å; H114-E116 HydrophobicContact CB-CG 4.2Å; H114-E116 WeakPolarHBondContact CB-OE1 3.47Å; H114-E116 WeakPolarHBondContact CB-OE2 3.47Å; H114-E116 IonicContact CG-OE1 2.71Å
117C92.8Very high84Confident28 Ų2855.6 Ų55.619%0.18934%0.338CS..THydrogen-bonded Turntrans-94.20.3174.2-77.30000113.2C94 N96 H114 T115C94-C117 VanDerWaalsContact SG-CB 3.52Å; N96-C117 HydrophobicContact CB-CB 4Å; H114-C117 HydrophobicContact CB-CB 3.98Å; H114-C117 PolarHBondContact O-N 3.43Å; T115-C117 PolarHBondContact O-N 2.78Å
118L89.1Confident83.6Confident12 Ų1257.1 Ų57.16%0.06334%0.343CS..SBendtrans-100.9147173.6-70.9165.9000109.9F113 H114 T115 F122 L129F113-L118 HydrophobicContact CB-CD1 4.01Å; F113-L118 HydrophobicContact CB-CD2 3.67Å; F113-L118 HydrophobicContact CB-CG 3.68Å; F113-L118 HydrophobicContact CD1-CD2 3.82Å; F113-L118 HydrophobicContact CD2-CD2 4.24Å; F113-L118 HydrophobicContact CG-CD2 3.65Å; F113-L118 HydrophobicContact CG-CG 4.24Å; H114-L118 PolarHBondContact O-N 3.05Å; T115-L118 PolarHBondContact O-N 2.94Å; L118-F122 HydrophobicContact CB-CB 3.85Å; L118-F122 HydrophobicContact CB-CG 4.37Å; L118-F122 HydrophobicContact CD1-CB 4.17Å; L118-F122 HydrophobicContact CD2-CB 4.46Å; L118-F122 HydrophobicContact CD2-CD1 4.18Å; L118-F122 HydrophobicContact CD2-CG 4.38Å; L118-F122 HydrophobicContact CG-CB 4.39Å; L118-L129 HydrophobicContact CD1-CD1 3.85Å; L118-L129 HydrophobicContact CD1-CD2 3.99Å; L118-L129 HydrophobicContact CD2-CD1 4.15Å
119P83.3Confident83.6Confident68 Ų6854 Ų5444%0.44232%0.321SS..  trans-58.8152.3170.5-22.433.6000111.9N121 F122P119-N121 WeakPolarHBondContact CB-OD1 3.41Å; P119-N121 PolarHBondContact O-N 3.1Å; P119-F122 HydrophobicContact CB-CD2 3.85Å; P119-F122 HydrophobicContact CB-CE2 3.95Å; P119-F122 HydrophobicContact CG-CD2 4.07Å; P119-F122 HydrophobicContact CG-CE2 3.87Å; P119-F122 WeakPolarHBondContact O-CB 3.36Å; P119-F122 WeakPolarHBondContact O-CD2 3.43Å; P119-F122 PolarHBondContact O-N 2.96Å
120E80.4Confident83.5Confident184 Ų18455.2 Ų55.286%0.8633%0.325SS*.G310 helixtrans-54.3-34.9-169.5-62.6-175.4164.600114.3F122 S123E120-F122 PolarHBondContact O-N 2.45Å; E120-F122 VanDerWaalsContact O-N 3.07Å; E120-S123 PolarHBondContact O-N 2.55Å
121N78.7Confident83.5Confident87 Ų8753.8 Ų53.847%0.46532%0.319SS..G310 helixtrans-64.4-11.1178.761.6-53.3000114.3P119P119-N121 WeakPolarHBondContact CB-OD1 3.41Å; P119-N121 PolarHBondContact O-N 3.1Å
122F76Confident83.3Confident21 Ų2155.6 Ų55.69%0.09233%0.332CS..G310 helixtrans-96.2-11.7176.5-63.1-111.2000113.2R104 L118 P119 E120 S124 L129 L130 P132R104-F122 PolarHBondContact NH1-O 2.86Å; L118-F122 HydrophobicContact CB-CB 3.85Å; L118-F122 HydrophobicContact CB-CG 4.37Å; L118-F122 HydrophobicContact CD1-CB 4.17Å; L118-F122 HydrophobicContact CD2-CB 4.46Å; L118-F122 HydrophobicContact CD2-CD1 4.18Å; L118-F122 HydrophobicContact CD2-CG 4.38Å; L118-F122 HydrophobicContact CG-CB 4.39Å; P119-F122 HydrophobicContact CB-CD2 3.85Å; P119-F122 HydrophobicContact CB-CE2 3.95Å; P119-F122 HydrophobicContact CG-CD2 4.07Å; P119-F122 HydrophobicContact CG-CE2 3.87Å; P119-F122 WeakPolarHBondContact O-CB 3.36Å; P119-F122 WeakPolarHBondContact O-CD2 3.43Å; P119-F122 PolarHBondContact O-N 2.96Å; E120-F122 PolarHBondContact O-N 2.45Å; E120-F122 VanDerWaalsContact O-N 3.07Å; F122-S124 VanDerWaalsContact C-N 3.29Å; F122-S124 PolarHBondContact O-N 3.35Å; F122-L129 HydrophobicContact CD1-CD1 3.72Å; F122-L129 HydrophobicContact CE1-CD1 4.5Å; F122-L130 WeakPolarHBondContact CE1-O 3.37Å; F122-P132 HydrophobicContact CE1-CG 4.12Å; F122-P132 HydrophobicContact CZ-CG 3.97Å
123S66.9Low83.3Confident52 Ų5256.5 Ų56.536%0.36434%0.338SS..  trans-85.37.2-170.7-65.80000114.8E120 A125E120-S123 PolarHBondContact O-N 2.55Å; S123-A125 PolarHBondContact O-N 2.88Å
124S67.6Low83.3Confident51 Ų5157 Ų5736%0.35734%0.342SS..  trans-61.9115.3176.1-73.40000112.6F122 G126 M127F122-S124 VanDerWaalsContact C-N 3.29Å; F122-S124 PolarHBondContact O-N 3.35Å; S124-G126 PolarHBondContact O-N 3.43Å; S124-M127 PolarHBondContact O-N 3.4Å
125A66.9Low83.4Confident100 Ų10057.7 Ų57.783%0.82635%0.345SS*.THydrogen-bonded Turntrans-57.7133.3179.400000112.3S123 M127S123-A125 PolarHBondContact O-N 2.88Å; A125-M127 VanDerWaalsContact C-N 3.34Å; A125-M127 PolarHBondContact O-N 2.99Å
126G69.4Low83.4Confident72 Ų7258.6 Ų58.674%0.74235%0.351SS*.THydrogen-bonded Turntrans81.91177.700000116.2S124S124-G126 PolarHBondContact O-N 3.43Å
127M76Confident83.3Confident50 Ų5054.3 Ų54.325%0.24633%0.331CS..PPolyproline II helixtrans-90.4148.3174.7-62.7-64.4169.900112.1R104 S124 A125 L274 R276R104-M127 PolarHBondContact NH2-O 3.4Å; S124-M127 PolarHBondContact O-N 3.4Å; A125-M127 VanDerWaalsContact C-N 3.34Å; A125-M127 PolarHBondContact O-N 2.99Å; M127-L274 HydrophobicContact CB-CD2 4.23Å; M127-L274 HydrophobicContact CG-CD2 4.06Å; M127-L274 HydrophobicContact SD-CB 4.47Å; M127-R276 HydrophobicContact CE-CG 4.17Å
128L84.4Confident83.1Confident113 Ų11358.2 Ų58.259%0.59235%0.349SS*.PPolyproline II helixtrans-74.1136.9174.6-66.1-179.5000110.1T107T107-L128 HydrophobicContact CG2-CB 3.89Å; T107-L128 HydrophobicContact CG2-CD1 4.33Å; T107-L128 HydrophobicContact CG2-CD2 4.02Å; T107-L128 HydrophobicContact CG2-CG 4.29Å
129L89.7Confident82.8Confident7 Ų762.1 Ų62.14%0.03736%0.363CS..PPolyproline II helixtrans-83.7116.6179175.960.2000110.5R104 C106 T107 F113 L118 F122R104-L129 HydrophobicContact CB-CD2 3.83Å; R104-L129 VanDerWaalsContact O-CD2 3.31Å; R104-L129 WeakPolarHBondContact O-CD2 3.46Å; C106-L129 CarbonylContact C-O 3.57Å; C106-L129 WeakPolarHBondContact CA-O 3.47Å; T107-L129 PolarHBondContact N-O 2.94Å; T107-L129 PolarHBondContact OG1-O 3.29Å; F113-L129 HydrophobicContact CD2-CD2 4.2Å; L118-L129 HydrophobicContact CD1-CD1 3.85Å; L118-L129 HydrophobicContact CD1-CD2 3.99Å; L118-L129 HydrophobicContact CD2-CD1 4.15Å; F122-L129 HydrophobicContact CD1-CD1 3.72Å; F122-L129 HydrophobicContact CE1-CD1 4.5Å
130L90.5Very high83Confident47 Ų4760.4 Ų60.425%0.24635%0.349CS..  trans-103.5112.5159.6-176.667.9000107.5S108 F122 C134 Q135 L138S108-L130 WeakPolarHBondContact OG-CD1 3.33Å; F122-L130 WeakPolarHBondContact CE1-O 3.37Å; L130-C134 HydrophobicContact CD1-CB 3.6Å; L130-C134 HydrophobicContact CG-CB 4.2Å; L130-Q135 HydrophobicContact CB-CG 4.43Å; L130-Q135 HydrophobicContact CD2-CG 3.78Å; L130-Q135 HydrophobicContact CG-CG 3.87Å; L130-Q135 PolarHBondContact O-NE2 3.47Å; L130-L138 HydrophobicContact CD2-CD1 3.56Å
131C92.1Very high83.2Confident0 Ų056.2 Ų56.20%033%0.333CS..  trans-69.3160.7-172.970.20000113.4C106 F113 S133 C134 Q135C106-C131 HydrophobicContact CB-CB 4.02Å; C106-C131 PolarHBondContact SG-N 3.25Å; C106-C131 VanDerWaalsContact SG-N 3.37Å; F113-C131 HydrophobicContact CD2-CB 4.14Å; F113-C131 HydrophobicContact CE2-CB 3.33Å; F113-C131 HydrophobicContact CZ-CB 3.88Å; C131-S133 VanDerWaalsContact C-N 3.35Å; C131-S133 PolarHBondContact O-N 3.49Å; C131-C134 PolarHBondContact O-N 3.17Å; C131-C134 VanDerWaalsContact SG-SG 3.69Å; C131-Q135 PolarHBondContact O-N 2.9Å
132P90.7Very high83.6Confident46 Ų4657.2 Ų57.230%0.29934%0.338SS..Hα-helixtrans-50.2-48.6180-29.436.2000113.8F122 C134 Q135 T136F122-P132 HydrophobicContact CE1-CG 4.12Å; F122-P132 HydrophobicContact CZ-CG 3.97Å; P132-C134 VanDerWaalsContact C-N 3.29Å; P132-C134 PolarHBondContact O-N 2.96Å; P132-Q135 WeakPolarHBondContact O-CB 3.49Å; P132-Q135 PolarHBondContact O-N 3.11Å; P132-T136 PolarHBondContact O-N 2.96Å; P132-T136 PolarHBondContact O-OG1 3.28Å
133S92.7Very high83.9Confident19 Ų1957.1 Ų57.113%0.13334%0.34CS..Hα-helixtrans-60.4-36.6-179.6-19.10000112.5R111 C131 H137 E220R111-S133 WeakPolarHBondContact CD-OG 3.18Å; R111-S133 PolarHBondContact NE-OG 3.27Å; C131-S133 VanDerWaalsContact C-N 3.35Å; C131-S133 PolarHBondContact O-N 3.49Å; S133-H137 WeakPolarHBondContact O-CB 3.37Å; S133-H137 PolarHBondContact O-N 3.32Å; S133-H137 VanDerWaalsContact O-N 3.13Å; S133-E220 PolarHBondContact OG-OE2 3.14Å
134C92.3Very high84.7Confident20 Ų2061.9 Ų61.914%0.13536%0.356CS..Hα-helixtrans-78.7-26.2175.2-71.60000113.5S108 C109 L130 C131 P132 L138S108-C134 WeakPolarHBondContact OG-CB 3.34Å; S108-C134 PolarHBondContact OG-SG 3.08Å; C109-C134 PolarHBondContact SG-SG 2.85Å; L130-C134 HydrophobicContact CD1-CB 3.6Å; L130-C134 HydrophobicContact CG-CB 4.2Å; C131-C134 PolarHBondContact O-N 3.17Å; C131-C134 VanDerWaalsContact SG-SG 3.69Å; P132-C134 VanDerWaalsContact C-N 3.29Å; P132-C134 PolarHBondContact O-N 2.96Å; C134-L138 PolarHBondContact O-N 2.91Å
135Q91.4Very high85.6Confident30 Ų3063.5 Ų63.514%0.1436%0.36CS..Hα-helixtrans-66.4-49.4169.5-68.5-176.811.700110.3L130 C131 P132 H137 L138L130-Q135 HydrophobicContact CB-CG 4.43Å; L130-Q135 HydrophobicContact CD2-CG 3.78Å; L130-Q135 HydrophobicContact CG-CG 3.87Å; L130-Q135 PolarHBondContact O-NE2 3.47Å; C131-Q135 PolarHBondContact O-N 2.9Å; P132-Q135 WeakPolarHBondContact O-CB 3.49Å; P132-Q135 PolarHBondContact O-N 3.11Å; Q135-H137 VanDerWaalsContact C-N 3.27Å; Q135-H137 PolarHBondContact O-N 2.9Å; Q135-L138 PolarHBondContact O-N 2.97Å
136T90.5Very high86.6Confident71 Ų7167.2 Ų67.244%0.43636%0.357SS..Hα-helixtrans-54.1-45.9174.7-53.30000111.1P132 L138 W139 E140 C213P132-T136 PolarHBondContact O-N 2.96Å; P132-T136 PolarHBondContact O-OG1 3.28Å; T136-L138 VanDerWaalsContact C-N 3.27Å; T136-L138 PolarHBondContact O-N 3.24Å; T136-W139 PolarHBondContact O-N 2.96Å; T136-W139 VanDerWaalsContact O-N 3.12Å; T136-E140 WeakPolarHBondContact O-CB 3.26Å; T136-E140 PolarHBondContact O-N 2.67Å; T136-C213 HydrophobicContact CG2-CB 3.67Å
137H89Confident87.4Confident63 Ų6366.5 Ų66.529%0.29234%0.339SS..Hα-helixtrans-60.9-29.1179-171.390.7000114.3S133 Q135 W210 K211 E214S133-H137 WeakPolarHBondContact O-CB 3.37Å; S133-H137 PolarHBondContact O-N 3.32Å; S133-H137 VanDerWaalsContact O-N 3.13Å; Q135-H137 VanDerWaalsContact C-N 3.27Å; Q135-H137 PolarHBondContact O-N 2.9Å; H137-W210 AromaticContact CE1-NE1 3.83Å; H137-K211 PolarHBondContact NE2-NZ 3.45Å; H137-K211 PolarHBondContact O-NZ 3.05Å; H137-E214 IonicContact CE1-OE1 3.72Å; H137-E214 PolarHBondContact CE1-OE1 3.49Å; H137-E214 VanDerWaalsContact CE1-OE1 3.28Å; H137-E214 IonicContact ND1-OE1 2.7Å
138L88.5Confident87.8Confident109 Ų10964.2 Ų64.257%0.57133%0.328SS*.Hα-helixtrans-71-30.1176.3-75.5177.9000113.4L130 C134 Q135 T136L130-L138 HydrophobicContact CD2-CD1 3.56Å; C134-L138 PolarHBondContact O-N 2.91Å; Q135-L138 PolarHBondContact O-N 2.97Å; T136-L138 VanDerWaalsContact C-N 3.27Å; T136-L138 PolarHBondContact O-N 3.24Å
139W82.9Confident88Confident94 Ų9460.9 Ų60.936%0.35631%0.311SS..Hα-helixtrans-105.9-22.7-171.4-58.7112.2000113.9T136 L265 A268 L272T136-W139 PolarHBondContact O-N 2.96Å; T136-W139 VanDerWaalsContact O-N 3.12Å; W139-L265 HydrophobicContact CE3-CD2 4.22Å; W139-L265 WeakPolarHBondContact O-CD2 3.46Å; W139-A268 HydrophobicContact CH2-CB 3.95Å; W139-A268 HydrophobicContact CZ3-CB 3.86Å; W139-L272 HydrophobicContact CH2-CB 4.35Å; W139-L272 HydrophobicContact CH2-CD1 4.05Å; W139-L272 HydrophobicContact CZ2-CB 3.99Å
140E85.8Confident87.9Confident32 Ų3268.9 Ų68.915%0.1535%0.345CS..SBendtrans-70.9132.1177.1-162.1-176.3-98.600111.1T136 K211 L212 C213T136-E140 WeakPolarHBondContact O-CB 3.26Å; T136-E140 PolarHBondContact O-N 2.67Å; E140-K211 HydrophobicContact CB-CD 4.45Å; E140-K211 WeakPolarHBondContact O-CE 3.28Å; E140-K211 PolarHBondContact O-NZ 2.67Å; E140-K211 WeakPolarHBondContact OE2-CB 3.41Å; E140-L212 PolarHBondContact OE2-N 3.41Å; E140-C213 WeakPolarHBondContact OE1-CB 3.27Å; E140-C213 PolarHBondContact OE1-N 2.67Å; E140-C213 VanDerWaalsContact OE1-N 3.16Å; E140-C213 WeakPolarHBondContact OE2-CB 3.5Å; E140-C213 PolarHBondContact OE2-N 2.85Å; E140-C213 PolarHBondContact OE2-SG 3.36Å
141L85.4Confident87.6Confident97 Ų9768.2 Ų68.251%0.50834%0.342SS..PPolyproline II helixtrans-76149.9179.1-65.4174.1000111.3
142N86Confident87.4Confident108 Ų10868.2 Ų68.258%0.57834%0.342SS*.PPolyproline II helixtrans-65.6137.8172.4-651.1000110.2W210 K211N142-W210 CarbonylContact C-O 3.58Å; N142-W210 VanDerWaalsContact CA-O 3.27Å; N142-W210 WeakPolarHBondContact CA-O 3.36Å; N142-K211 WeakPolarHBondContact OD1-CE 3.38Å
143C83.1Confident87.4Confident19 Ų1969.6 Ų69.613%0.12834%0.343CS..PPolyproline II helixtrans-100.6153.5172-62.10000109.9L148 W210 W254C143-L148 HydrophobicContact CB-CB 4.36Å; C143-L148 HydrophobicContact CB-CD1 4.45Å; C143-L148 HydrophobicContact CB-CD2 4.3Å; C143-W210 PolarHBondContact N-O 2.93Å; C143-W254 HydrophobicContact CB-CH2 4.3Å
144E83.6Confident87.2Confident151 Ų15172.5 Ų72.571%0.70636%0.362SS*.PPolyproline II helixtrans-65.5135.7167.8-73.1-175.2-154.900111.2K146 P147 L148E144-K146 PolarHBondContact O-N 2.89Å; E144-P147 HydrophobicContact CB-CG 3.88Å; E144-P147 WeakPolarHBondContact O-CD 3.37Å; E144-L148 VanDerWaalsContact O-CB 3.31Å; E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 PolarHBondContact O-N 3.14Å; E144-L148 VanDerWaalsContact O-N 3.07Å
145I86Confident86.9Confident85 Ų8572.3 Ų72.344%0.43636%0.36SS..Hα-helixtrans-59.2-44.4-175.1-60.8172.5000111.7L148 I149I145-L148 PolarHBondContact O-N 3.17Å; I145-I149 HydrophobicContact CG2-CD1 3.67Å; I145-I149 HydrophobicContact CG2-CG1 4.22Å; I145-I149 VanDerWaalsContact O-CG1 3.29Å; I145-I149 WeakPolarHBondContact O-CG1 3.46Å; I145-I149 PolarHBondContact O-N 3.26Å
146K88Confident86.7Confident179 Ų17971.1 Ų71.178%0.77835%0.354SS*.Hα-helixtrans-65.9-51-175.9-71.7178.7-177.5176.60112.9E144 L148 I149 K150E144-K146 PolarHBondContact O-N 2.89Å; K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 3.07Å; K146-I149 PolarHBondContact O-N 3.14Å; K146-K150 PolarHBondContact O-N 3.12Å; K146-K150 VanDerWaalsContact O-N 3.1Å
147P86.2Confident86.6Confident56 Ų5671 Ų7136%0.36435%0.351SS..Hα-helixtrans-56.2-41.9169.8-28.136.2000113.7E144 K150 L151E144-P147 HydrophobicContact CB-CG 3.88Å; E144-P147 WeakPolarHBondContact O-CD 3.37Å; P147-K150 PolarHBondContact O-N 3.05Å; P147-L151 WeakPolarHBondContact O-CB 3.4Å; P147-L151 PolarHBondContact O-N 3.4Å
148L85.9Confident86.4Confident2 Ų270.1 Ų70.11%0.0135%0.352CS..Hα-helixtrans-65.1-42.7-178.9-172.863.9000112.2C143 E144 I145 K146 K150 L151 L152 Y209 L212C143-L148 HydrophobicContact CB-CB 4.36Å; C143-L148 HydrophobicContact CB-CD1 4.45Å; C143-L148 HydrophobicContact CB-CD2 4.3Å; E144-L148 VanDerWaalsContact O-CB 3.31Å; E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 PolarHBondContact O-N 3.14Å; E144-L148 VanDerWaalsContact O-N 3.07Å; I145-L148 PolarHBondContact O-N 3.17Å; K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 3.07Å; L148-K150 PolarHBondContact O-N 3.05Å; L148-L151 HydrophobicContact CD1-CD2 4.37Å; L148-L151 PolarHBondContact O-N 2.92Å; L148-L152 HydrophobicContact CD1-CD1 3.72Å; L148-L152 HydrophobicContact CD1-CG 4.08Å; L148-L152 HydrophobicContact CG-CD1 3.8Å; L148-L152 HydrophobicContact CG-CG 4.43Å; L148-L152 WeakPolarHBondContact O-CB 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.33Å; L148-L152 PolarHBondContact O-N 3.08Å; L148-Y209 WeakPolarHBondContact CD2-O 3.46Å; L148-L212 HydrophobicContact CD1-CD1 3.74Å
149I87.3Confident85.9Confident44 Ų4465 Ų6523%0.22633%0.325CS..Hα-helixtrans-60.3-45.9172.7-68173000110.9I145 K146 L151 L152 K153 L204I145-I149 HydrophobicContact CG2-CD1 3.67Å; I145-I149 HydrophobicContact CG2-CG1 4.22Å; I145-I149 VanDerWaalsContact O-CG1 3.29Å; I145-I149 WeakPolarHBondContact O-CG1 3.46Å; I145-I149 PolarHBondContact O-N 3.26Å; K146-I149 PolarHBondContact O-N 3.14Å; I149-L151 VanDerWaalsContact C-N 3.29Å; I149-L151 PolarHBondContact O-N 3.2Å; I149-L152 PolarHBondContact O-N 2.64Å; I149-K153 VanDerWaalsContact O-CB 3.29Å; I149-K153 WeakPolarHBondContact O-CB 3.46Å; I149-K153 PolarHBondContact O-N 2.79Å; I149-L204 WeakPolarHBondContact CD1-O 3.3Å; I149-L204 HydrophobicContact CG1-CD1 4.14Å; I149-L204 WeakPolarHBondContact CG1-O 3.45Å
150K88.1Confident86Confident174 Ų17462 Ų6276%0.75732%0.318SS*.Hα-helixtrans-62.2-35.2179.6-173179.2178-176.50112.5K146 P147 L148 P154K146-K150 PolarHBondContact O-N 3.12Å; K146-K150 VanDerWaalsContact O-N 3.1Å; P147-K150 PolarHBondContact O-N 3.05Å; L148-K150 PolarHBondContact O-N 3.05Å; K150-P154 WeakPolarHBondContact O-CD 3.04Å
151L83.8Confident85.8Confident33 Ų3368.4 Ų68.417%0.17335%0.346CS..Hα-helixtrans-69.5-50.9174.7169.765.3000112.4P147 L148 I149 L212 W254P147-L151 WeakPolarHBondContact O-CB 3.4Å; P147-L151 PolarHBondContact O-N 3.4Å; L148-L151 HydrophobicContact CD1-CD2 4.37Å; L148-L151 PolarHBondContact O-N 2.92Å; I149-L151 VanDerWaalsContact C-N 3.29Å; I149-L151 PolarHBondContact O-N 3.2Å; L151-L212 HydrophobicContact CD2-CD1 3.75Å; L151-W254 HydrophobicContact CD1-CB 3.66Å; L151-W254 HydrophobicContact CD1-CG 3.67Å; L151-W254 HydrophobicContact CD2-CB 3.75Å; L151-W254 HydrophobicContact CD2-CD2 3.4Å; L151-W254 HydrophobicContact CD2-CE3 3.82Å; L151-W254 HydrophobicContact CD2-CG 3.39Å; L151-W254 HydrophobicContact CG-CB 4.34Å; L151-W254 HydrophobicContact CG-CD2 4.48Å; L151-W254 HydrophobicContact CG-CG 4.08Å
152L87.7Confident85.2Confident0 Ų069.3 Ų69.30%035%0.346CS..Hα-helixtrans-81.5-27-167.5-67.1177.2000112.8L148 I149 T155 L156 L204 L212 F215 T251L148-L152 HydrophobicContact CD1-CD1 3.72Å; L148-L152 HydrophobicContact CD1-CG 4.08Å; L148-L152 HydrophobicContact CG-CD1 3.8Å; L148-L152 HydrophobicContact CG-CG 4.43Å; L148-L152 WeakPolarHBondContact O-CB 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.33Å; L148-L152 PolarHBondContact O-N 3.08Å; I149-L152 PolarHBondContact O-N 2.64Å; L152-T155 WeakPolarHBondContact O-CA 3.49Å; L152-T155 VanDerWaalsContact O-CB 3.29Å; L152-T155 WeakPolarHBondContact O-CB 3.45Å; L152-T155 PolarHBondContact O-N 2.83Å; L152-T155 VanDerWaalsContact O-N 3.14Å; L152-L156 PolarHBondContact O-N 2.98Å; L152-L204 HydrophobicContact CB-CD1 3.74Å; L152-L204 HydrophobicContact CB-CD2 3.86Å; L152-L204 HydrophobicContact CB-CG 4.48Å; L152-L204 HydrophobicContact CD1-CD1 3.86Å; L152-L204 HydrophobicContact CG-CD1 4.44Å; L152-L212 HydrophobicContact CD2-CD1 4.02Å; L152-F215 HydrophobicContact CB-CE2 4.48Å; L152-F215 HydrophobicContact CD1-CB 3.65Å; L152-F215 HydrophobicContact CD1-CD1 4.19Å; L152-F215 HydrophobicContact CD1-CD2 3.87Å; L152-F215 HydrophobicContact CD1-CG 3.64Å; L152-F215 HydrophobicContact CD2-CB 4.48Å; L152-F215 HydrophobicContact CD2-CD1 3.57Å; L152-F215 HydrophobicContact CD2-CD2 4.45Å; L152-F215 HydrophobicContact CD2-CE1 3.81Å; L152-F215 HydrophobicContact CD2-CG 3.92Å; L152-F215 HydrophobicContact CD2-CZ 4.35Å; L152-F215 HydrophobicContact CG-CD1 4.44Å; L152-F215 HydrophobicContact CG-CG 4.31Å; L152-T251 HydrophobicContact CD2-CG2 3.81Å
153K90.6Very high84.4Confident75 Ų7564.2 Ų64.233%0.32632%0.318SS..Hα-helixtrans-62.1-46.7-176.6-173.7156.8-176.3159.20113.6I149 T155 L156 D157 L204 E205I149-K153 VanDerWaalsContact O-CB 3.29Å; I149-K153 WeakPolarHBondContact O-CB 3.46Å; I149-K153 PolarHBondContact O-N 2.79Å; K153-T155 PolarHBondContact O-N 3.03Å; K153-L156 PolarHBondContact O-N 3.03Å; K153-L156 VanDerWaalsContact O-N 3.17Å; K153-D157 WeakPolarHBondContact O-CB 3.37Å; K153-D157 VanDerWaalsContact O-CG 3.26Å; K153-D157 PolarHBondContact O-N 3.46Å; K153-L204 HydrophobicContact CB-CD2 4.13Å; K153-E205 IonicContact NZ-OE1 2.85Å; K153-E205 PolarHBondContact NZ-OE1 3.45Å
154P88.4Confident83.2Confident81 Ų8165.4 Ų65.453%0.52633%0.334SS..Hα-helixtrans-58.6-35172.9-24.934.5000113.6K150 S158K150-P154 WeakPolarHBondContact O-CD 3.04Å; P154-S158 WeakPolarHBondContact O-CB 3.14Å; P154-S158 PolarHBondContact O-N 3.39Å; P154-S158 VanDerWaalsContact O-N 3.08Å
155T86.2Confident81.8Confident16 Ų1664.8 Ų64.810%0.09835%0.347CS..Hα-helixtrans-62.8-56.3174.1-54.20000109.1L152 K153 D157 S158 L159 A247 A250L152-T155 WeakPolarHBondContact O-CA 3.49Å; L152-T155 VanDerWaalsContact O-CB 3.29Å; L152-T155 WeakPolarHBondContact O-CB 3.45Å; L152-T155 PolarHBondContact O-N 2.83Å; L152-T155 VanDerWaalsContact O-N 3.14Å; K153-T155 PolarHBondContact O-N 3.03Å; T155-D157 VanDerWaalsContact C-N 3.33Å; T155-D157 PolarHBondContact O-N 2.95Å; T155-S158 WeakPolarHBondContact O-CB 3.38Å; T155-S158 PolarHBondContact O-N 3.2Å; T155-S158 VanDerWaalsContact O-N 3.11Å; T155-L159 HydrophobicContact CG2-CD1 4.1Å; T155-L159 HydrophobicContact CG2-CG 4.45Å; T155-L159 VanDerWaalsContact O-CG 3.28Å; T155-L159 WeakPolarHBondContact O-CG 3.44Å; T155-L159 PolarHBondContact O-N 3.43Å; T155-A247 HydrophobicContact CG2-CB 4.43Å; T155-A250 HydrophobicContact CG2-CB 3.93Å; T155-A250 WeakPolarHBondContact OG1-CB 3.42Å
156L88.1Confident80.2Confident4 Ų462.4 Ų62.42%0.02134%0.337CS..Hα-helixtrans-60.6-37.6-179.3-173.663.3000113.7L152 K153 L159 S160 L197 I200 S201 L204L152-L156 PolarHBondContact O-N 2.98Å; K153-L156 PolarHBondContact O-N 3.03Å; K153-L156 VanDerWaalsContact O-N 3.17Å; L156-L159 PolarHBondContact O-N 2.56Å; L156-S160 WeakPolarHBondContact O-CB 3.33Å; L156-S160 PolarHBondContact O-N 3.43Å; L156-S160 PolarHBondContact O-OG 3.4Å; L156-L197 HydrophobicContact CD1-CD2 3.93Å; L156-I200 HydrophobicContact CD1-CG2 3.87Å; L156-I200 HydrophobicContact CD2-CG2 4.25Å; L156-S201 VanDerWaalsContact CD2-CA 3.4Å; L156-L204 HydrophobicContact CB-CD2 4.4Å; L156-L204 HydrophobicContact CD2-CD2 4.01Å
157D88.2Confident78.9Confident68 Ų6860 Ų6036%0.36433%0.327SS..Hα-helixtrans-64-41.6175.3-70.6-23.1000111.4K153 T155 K161K153-D157 WeakPolarHBondContact O-CB 3.37Å; K153-D157 VanDerWaalsContact O-CG 3.26Å; K153-D157 PolarHBondContact O-N 3.46Å; T155-D157 VanDerWaalsContact C-N 3.33Å; T155-D157 PolarHBondContact O-N 2.95Å; D157-K161 WeakPolarHBondContact O-CB 3.41Å; D157-K161 WeakPolarHBondContact O-CD 3.33Å; D157-K161 VanDerWaalsContact O-CG 3.25Å; D157-K161 WeakPolarHBondContact O-CG 3.43Å; D157-K161 PolarHBondContact O-N 3.06Å
158S84.1Confident78Confident46 Ų4657.3 Ų57.332%0.32231%0.309SS..Hα-helixtrans-62.3-47.1174179.20000111.3P154 T155 S160 K161 K162P154-S158 WeakPolarHBondContact O-CB 3.14Å; P154-S158 PolarHBondContact O-N 3.39Å; P154-S158 VanDerWaalsContact O-N 3.08Å; T155-S158 WeakPolarHBondContact O-CB 3.38Å; T155-S158 PolarHBondContact O-N 3.2Å; T155-S158 VanDerWaalsContact O-N 3.11Å; S158-S160 PolarHBondContact O-N 3.36Å; S158-K161 PolarHBondContact O-N 2.98Å; S158-K162 WeakPolarHBondContact O-CB 3.43Å; S158-K162 WeakPolarHBondContact O-CG 3.41Å; S158-K162 PolarHBondContact O-N 3.48Å
159L78.7Confident77Confident1 Ų160.5 Ų60.51%0.00533%0.325CS..Hα-helixtrans-61.6-44.6178.3-62.4178.3000111.5T155 L156 K161 K162 A163 T243 E246 A247T155-L159 HydrophobicContact CG2-CD1 4.1Å; T155-L159 HydrophobicContact CG2-CG 4.45Å; T155-L159 VanDerWaalsContact O-CG 3.28Å; T155-L159 WeakPolarHBondContact O-CG 3.44Å; T155-L159 PolarHBondContact O-N 3.43Å; L156-L159 PolarHBondContact O-N 2.56Å; L159-K161 PolarHBondContact O-N 3.05Å; L159-K162 PolarHBondContact O-N 3.26Å; L159-A163 VanDerWaalsContact O-CB 3.26Å; L159-A163 WeakPolarHBondContact O-CB 3.36Å; L159-A163 PolarHBondContact O-N 3.48Å; L159-T243 HydrophobicContact CB-CG2 4.14Å; L159-T243 HydrophobicContact CD1-CG2 3.92Å; L159-T243 HydrophobicContact CD2-CG2 3.82Å; L159-T243 WeakPolarHBondContact CD2-O 3.43Å; L159-T243 HydrophobicContact CG-CG2 4.12Å; L159-E246 HydrophobicContact CD2-CB 3.98Å; L159-A247 HydrophobicContact CD1-CB 4.21Å
160S83.9Confident75.9Confident30 Ų3063 Ų6321%0.2134%0.338CS..Hα-helixtrans-65.2-38179.2-57.20000112.5L156 S158L156-S160 WeakPolarHBondContact O-CB 3.33Å; L156-S160 PolarHBondContact O-N 3.43Å; L156-S160 PolarHBondContact O-OG 3.4Å; S158-S160 PolarHBondContact O-N 3.36Å
161K82.3Confident74.4Confident168 Ų16854.7 Ų54.773%0.7330%0.302SS*.Hα-helixtrans-67.4-42.5174.1-73.9168.3-176.41730112.3D157 S158 L159 G164D157-K161 WeakPolarHBondContact O-CB 3.41Å; D157-K161 WeakPolarHBondContact O-CD 3.33Å; D157-K161 VanDerWaalsContact O-CG 3.25Å; D157-K161 WeakPolarHBondContact O-CG 3.43Å; D157-K161 PolarHBondContact O-N 3.06Å; S158-K161 PolarHBondContact O-N 2.98Å; L159-K161 PolarHBondContact O-N 3.05Å; K161-G164 PolarHBondContact O-N 3.45Å
162K73.3Confident72.8Confident115 Ų11554.6 Ų54.650%0.530%0.304SS..Hα-helixtrans-69.6-33178-74.1177.8178-1800112.6S158 L159 G164 E246S158-K162 WeakPolarHBondContact O-CB 3.43Å; S158-K162 WeakPolarHBondContact O-CG 3.41Å; S158-K162 PolarHBondContact O-N 3.48Å; L159-K162 PolarHBondContact O-N 3.26Å; K162-G164 PolarHBondContact O-N 2.86Å; K162-E246 WeakPolarHBondContact CD-OE2 3.49Å; K162-E246 IonicContact NZ-OE1 3.23Å; K162-E246 PolarHBondContact NZ-OE1 2.96Å; K162-E246 IonicContact NZ-OE2 3.91Å; K162-E246 PolarHBondContact NZ-OE2 2.9Å
163A69.4Low70.8Confident1 Ų154.7 Ų54.71%0.00831%0.305CS..THydrogen-bonded Turntrans-72.728.4168.300000113.1L159 S165 C166 L168 L197L159-A163 VanDerWaalsContact O-CB 3.26Å; L159-A163 WeakPolarHBondContact O-CB 3.36Å; L159-A163 PolarHBondContact O-N 3.48Å; A163-S165 PolarHBondContact O-N 3.23Å; A163-C166 HydrophobicContact CB-CB 4.35Å; A163-C166 WeakPolarHBondContact O-CB 3.39Å; A163-C166 PolarHBondContact O-N 2.96Å; A163-L168 HydrophobicContact CB-CB 4.25Å; A163-L168 HydrophobicContact CB-CD1 3.91Å; A163-L197 HydrophobicContact CB-CD1 3.84Å
164G56.7Low68.6Low44 Ų4455.4 Ų55.445%0.45431%0.306SS..THydrogen-bonded Turntrans-49.9120.3-172.600000112.7K161 K162 C166K161-G164 PolarHBondContact O-N 3.45Å; K162-G164 PolarHBondContact O-N 2.86Å; G164-C166 PolarHBondContact O-N 3.49Å; G164-C166 PolarHBondContact O-SG 3.37Å
165S54.2Low66.2Low139 Ų13957.3 Ų57.397%0.97232%0.32SS*.THydrogen-bonded Turntrans55.89.5-175.9-54.80000115.9A163A163-S165 PolarHBondContact O-N 3.23Å
166C53.6Low63.9Low35 Ų3558.3 Ų58.324%0.23633%0.327CS..  trans-80.5151-177.4-65.20000111.4A163 G164 L168 M169 M236A163-C166 HydrophobicContact CB-CB 4.35Å; A163-C166 WeakPolarHBondContact O-CB 3.39Å; A163-C166 PolarHBondContact O-N 2.96Å; G164-C166 PolarHBondContact O-N 3.49Å; G164-C166 PolarHBondContact O-SG 3.37Å; C166-L168 HydrophobicContact CB-CG 4.29Å; C166-L168 PolarHBondContact O-N 3.04Å; C166-M169 PolarHBondContact O-N 2.77Å; C166-M236 HydrophobicContact CB-CE 4.05Å; C166-M236 HydrophobicContact CB-SD 3.89Å
167K61.3Low61.1Low128 Ų12861.8 Ų61.856%0.55736%0.364SS*.THydrogen-bonded Turntrans-68.49.6178.1-63.6179.3-179.7174.90114M169 N170 I171 Y230 M236K167-M169 VanDerWaalsContact C-N 3.27Å; K167-N170 CarbonylContact O-C 3.59Å; K167-N170 PolarHBondContact O-N 2.88Å; K167-I171 WeakPolarHBondContact O-CA 3.09Å; K167-I171 WeakPolarHBondContact O-CG1 3.2Å; K167-I171 PolarHBondContact O-N 3Å; K167-Y230 WeakPolarHBondContact CB-OH 3.16Å; K167-Y230 WeakPolarHBondContact CD-OH 3.44Å; K167-M236 HydrophobicContact CB-CE 4.27Å
168L66.8Low58.4Low0 Ų066 Ų660%039%0.385CS..THydrogen-bonded Turntrans-71.1-22.1171.3-56.9-176.6000112.6A163 C166 D196 L197 V226 M236 T239 A240A163-L168 HydrophobicContact CB-CB 4.25Å; A163-L168 HydrophobicContact CB-CD1 3.91Å; C166-L168 HydrophobicContact CB-CG 4.29Å; C166-L168 PolarHBondContact O-N 3.04Å; L168-D196 WeakPolarHBondContact O-CB 3.41Å; L168-L197 HydrophobicContact CB-CD1 3.81Å; L168-L197 HydrophobicContact CB-CG 4.26Å; L168-L197 PolarHBondContact O-N 3.33Å; L168-V226 HydrophobicContact CD2-CG1 4.46Å; L168-V226 HydrophobicContact CD2-CG2 3.45Å; L168-V226 VanDerWaalsContact CD2-CG2 3.45Å; L168-M236 HydrophobicContact CD2-CG 4.11Å; L168-M236 HydrophobicContact CD2-SD 3.75Å; L168-M236 HydrophobicContact CG-SD 3.77Å; L168-T239 HydrophobicContact CD1-CG2 4.03Å; L168-A240 HydrophobicContact CD1-CB 4.39Å; L168-A240 HydrophobicContact CD2-CB 4.09Å
169M63.7Low56.1Low69 Ų6966.2 Ų66.234%0.3438%0.384SS..SBendtrans-77.7-22174.9-56.9-60.3-78.700113.2C166 K167 L197 S198C166-M169 PolarHBondContact O-N 2.77Å; K167-M169 VanDerWaalsContact C-N 3.27Å; M169-L197 HydrophobicContact SD-CB 3.67Å; M169-L197 HydrophobicContact SD-CD1 3.63Å; M169-L197 HydrophobicContact SD-CG 4.29Å; M169-S198 WeakPolarHBondContact O-CB 3.33Å; M169-S198 PolarHBondContact O-OG 3.28Å
170N64Low53.7Low95 Ų9576.2 Ų76.251%0.50842%0.422SS..SBendtrans-14874.7176.5-98.2-86.4000106.7K167K167-N170 CarbonylContact O-C 3.59Å; K167-N170 PolarHBondContact O-N 2.88Å
171I58.2Low51.2Low0 Ų082.5 Ų82.50%045%0.451CS..  trans-63.3132.2167.2-64-175.4000105.4K167 G173 H194 D196 M222 V226 I229K167-I171 WeakPolarHBondContact O-CA 3.09Å; K167-I171 WeakPolarHBondContact O-CG1 3.2Å; K167-I171 PolarHBondContact O-N 3Å; I171-G173 PolarHBondContact O-N 3.25Å; I171-H194 PolarHBondContact O-NE2 3.35Å; I171-D196 HydrophobicContact CB-CB 3.98Å; I171-D196 HydrophobicContact CD1-CB 4.33Å; I171-D196 HydrophobicContact CG1-CB 3.93Å; I171-M222 HydrophobicContact CD1-CG 3.48Å; I171-M222 VanDerWaalsContact CD1-CG 3.48Å; I171-V226 HydrophobicContact CD1-CG2 3.49Å; I171-V226 VanDerWaalsContact CD1-CG2 3.49Å; I171-V226 HydrophobicContact CG1-CG2 4.43Å; I171-I229 HydrophobicContact CG2-CD1 3.37Å
172P50Low48.9Very low32 Ų3277.7 Ų77.721%0.20844%0.439CS..  trans-52.7111.3179.1-27.535.4000110.8F188P172-F188 HydrophobicContact CB-CD1 4.45Å; P172-F188 HydrophobicContact CB-CE1 3.63Å; P172-F188 HydrophobicContact CB-CZ 4.47Å; P172-F188 WeakPolarHBondContact O-CD1 3.26Å; P172-F188 WeakPolarHBondContact O-CE1 3.4Å
173G44.7Very low47.2Very low2 Ų275.7 Ų75.72%0.02144%0.437CS..  trans-117165.4178.400000112.8I171 C175 F188 H194I171-G173 PolarHBondContact O-N 3.25Å; G173-C175 PolarHBondContact O-N 2.95Å; G173-F188 VanDerWaalsContact O-CE1 3.26Å; G173-F188 WeakPolarHBondContact O-CE1 3.46Å; G173-F188 WeakPolarHBondContact O-CZ 3.41Å; G173-H194 WeakPolarHBondContact CA-CD2 3.18Å; G173-H194 WeakPolarHBondContact CA-NE2 3.44Å
174R44.3Very low45.8Very low90 Ų9078.6 Ų78.634%0.3446%0.457SS..THydrogen-bonded Turntrans-62.2-26.7-177.8-62.5178.4-163.4-134.13.4113.3F188 I191R174-F188 HydrophobicContact CG-CB 3.77Å; R174-F188 HydrophobicContact CG-CG 4.23Å; R174-F188 PolarHBondContact NH2-O 2.71Å; R174-I191 PolarHBondContact NH2-O 3.39Å
175C37.6Very low45Very low121 Ų12182.7 Ų82.782%0.81846%0.459SS*.THydrogen-bonded Turntrans-110.7-1-164.6-59.70000116G173 G177G173-C175 PolarHBondContact O-N 2.95Å; C175-G177 PolarHBondContact O-N 2.63Å
176S37.9Very low44.7Very low36 Ų3677.1 Ų77.125%0.25242%0.418SS..  trans-70.4112.6179.7-51.60000110.6I178 V179S176-I178 PolarHBondContact O-N 3.21Å; S176-V179 WeakPolarHBondContact O-CB 3.47Å; S176-V179 WeakPolarHBondContact O-CG2 3.32Å; S176-V179 PolarHBondContact O-N 2.91Å; S176-V179 VanDerWaalsContact O-N 3.08Å
177G29.9Very low44.5Very low77 Ų7776.4 Ų76.479%0.79441%0.412SS*.THydrogen-bonded Turntrans-57.8-8.1-17300000117.2C175 V179C175-G177 PolarHBondContact O-N 2.63Å; G177-V179 PolarHBondContact O-N 3.33Å
178I32.8Very low44Very low157 Ų15771.7 Ų71.781%0.80539%0.391SS*.THydrogen-bonded Turntrans-75.4-3174.9-63169.8000112.1S176 R180S176-I178 PolarHBondContact O-N 3.21Å; I178-R180 PolarHBondContact O-N 3.31Å
179V34.3Very low43.5Very low51 Ų5172.7 Ų72.731%0.30940%0.397SS..THydrogen-bonded Turntrans-70.430.3-1751680000115.4S176 G177 R185 F188S176-V179 WeakPolarHBondContact O-CB 3.47Å; S176-V179 WeakPolarHBondContact O-CG2 3.32Å; S176-V179 PolarHBondContact O-N 2.91Å; S176-V179 VanDerWaalsContact O-N 3.08Å; G177-V179 PolarHBondContact O-N 3.33Å; V179-R185 HydrophobicContact CG1-CG 4.12Å; V179-R185 PolarHBondContact O-NE 3.42Å; V179-R185 PolarHBondContact O-NH2 2.92Å; V179-F188 HydrophobicContact CG1-CE2 4.42Å; V179-F188 HydrophobicContact CG2-CZ 4.25Å
180R29.7Very low43.6Very low211 Ų21169.6 Ų69.680%0.79638%0.382SS*.THydrogen-bonded Turntrans-91.3-24.1177.1-69.5-167.473.1131.9-3.2116.4I178I178-R180 PolarHBondContact O-N 3.31Å
181I30.3Very low44.2Very low162 Ų16265.2 Ų65.283%0.83136%0.359SS*.SBendtrans-129.3-24.3-165.1-52-177.6000115.9
182S35Very low45.2Very low67 Ų6765.8 Ų65.847%0.46936%0.363SS..  trans-88142.4-167.5-162.30000115.5C184 R185S182-C184 PolarHBondContact O-N 2.94Å; S182-R185 PolarHBondContact O-N 3.46Å
183P36.9Very low46.8Very low72 Ų7268 Ų6847%0.46837%0.371SS..THydrogen-bonded Turntrans-60.2-13.3176.1-2434000115.7N23 R185N23-P183 HydrophobicContact CB-CB 4.27Å; N23-P183 PolarHBondContact ND2-O 2.79Å; P183-R185 PolarHBondContact O-N 3.31Å; P183-R185 VanDerWaalsContact O-N 3.1Å
184C39.9Very low48.7Very low63 Ų6369.6 Ų69.643%0.42638%0.378SS..THydrogen-bonded Turntrans-65.8-5.3177.6-54.40000114.4S182 N186 L187S182-C184 PolarHBondContact O-N 2.94Å; C184-N186 PolarHBondContact O-N 3.38Å; C184-L187 PolarHBondContact O-N 2.73Å
185R40.6Very low50.7Low129 Ų12965.5 Ų65.549%0.48736%0.362SS..THydrogen-bonded Turntrans-49.4-12.7-171.7-113.8180178.8-175.7-4.5118V179 S182 P183 F188V179-R185 HydrophobicContact CG1-CG 4.12Å; V179-R185 PolarHBondContact O-NE 3.42Å; V179-R185 PolarHBondContact O-NH2 2.92Å; S182-R185 PolarHBondContact O-N 3.46Å; P183-R185 PolarHBondContact O-N 3.31Å; P183-R185 VanDerWaalsContact O-N 3.1Å; R185-F188 WeakPolarHBondContact O-CD2 3.25Å; R185-F188 WeakPolarHBondContact O-CE2 3.45Å
186N47.9Very low53.1Low23 Ų2359.9 Ų59.912%0.12332%0.324CS..THydrogen-bonded Turntrans-112.2-18.8-168-55.6-39.5000113.4W19 N23 I80 C184 F188 V189W19-N186 HydrophobicContact CD2-CB 3.9Å; W19-N186 HydrophobicContact CE3-CB 3.39Å; W19-N186 HydrophobicContact CH2-CB 4.15Å; W19-N186 WeakPolarHBondContact CH2-O 3.27Å; W19-N186 HydrophobicContact CZ3-CB 3.57Å; W19-N186 WeakPolarHBondContact CZ3-O 3.5Å; N23-N186 PolarHBondContact ND2-ND2 2.98Å; I80-N186 WeakPolarHBondContact CD1-ND2 3.18Å; I80-N186 HydrophobicContact CG2-CB 3.69Å; I80-N186 WeakPolarHBondContact CG2-ND2 3.27Å; C184-N186 PolarHBondContact O-N 3.38Å; N186-F188 PolarHBondContact O-N 3.33Å; N186-V189 WeakPolarHBondContact O-CG2 3.33Å; N186-V189 PolarHBondContact O-N 3.02Å; N186-V189 VanDerWaalsContact O-N 3.12Å
187L47.5Very low55.5Low20 Ų2058.2 Ų58.211%0.10531%0.312CS..G310 helixtrans-54-22.9-177.4-103.758.4000114.6W19 C184 V189 F190 I229W19-L187 HydrophobicContact CE3-CD1 4.38Å; C184-L187 PolarHBondContact O-N 2.73Å; L187-V189 PolarHBondContact O-N 2.92Å; L187-F190 WeakPolarHBondContact O-CD2 3.43Å; L187-F190 PolarHBondContact O-N 2.73Å; L187-I229 HydrophobicContact CD2-CB 4.37Å; L187-I229 HydrophobicContact CD2-CG1 4.22Å; L187-I229 HydrophobicContact CD2-CG2 3.56Å
188F52Low58.1Low28 Ų2856.8 Ų56.812%0.12329%0.291CS..G310 helixtrans-62.5-18.2179.8-36.7-50.5000114.9P172 G173 R174 V179 R185 N186 F190 I191P172-F188 HydrophobicContact CB-CD1 4.45Å; P172-F188 HydrophobicContact CB-CE1 3.63Å; P172-F188 HydrophobicContact CB-CZ 4.47Å; P172-F188 WeakPolarHBondContact O-CD1 3.26Å; P172-F188 WeakPolarHBondContact O-CE1 3.4Å; G173-F188 VanDerWaalsContact O-CE1 3.26Å; G173-F188 WeakPolarHBondContact O-CE1 3.46Å; G173-F188 WeakPolarHBondContact O-CZ 3.41Å; R174-F188 HydrophobicContact CG-CB 3.77Å; R174-F188 HydrophobicContact CG-CG 4.23Å; R174-F188 PolarHBondContact NH2-O 2.71Å; V179-F188 HydrophobicContact CG1-CE2 4.42Å; V179-F188 HydrophobicContact CG2-CZ 4.25Å; R185-F188 WeakPolarHBondContact O-CD2 3.25Å; R185-F188 WeakPolarHBondContact O-CE2 3.45Å; N186-F188 PolarHBondContact O-N 3.33Å; F188-F190 PolarHBondContact O-N 2.69Å; F188-I191 PolarHBondContact O-N 3.03Å
189V56Low60.8Low21 Ų2151.5 Ų51.513%0.12726%0.263CS..G310 helixtrans-60-31.4174.1179.40000111.5W19 L64 L83 N186 L187W19-V189 HydrophobicContact CH2-CB 3.72Å; W19-V189 HydrophobicContact CH2-CG1 4.29Å; W19-V189 HydrophobicContact CH2-CG2 3.59Å; W19-V189 HydrophobicContact CZ2-CG2 4.37Å; W19-V189 HydrophobicContact CZ3-CB 4.44Å; W19-V189 HydrophobicContact CZ3-CG2 4.36Å; L64-V189 HydrophobicContact CD2-CG1 4.1Å; L83-V189 HydrophobicContact CD1-CB 4.09Å; L83-V189 HydrophobicContact CD1-CG1 3.76Å; L83-V189 HydrophobicContact CD1-CG2 3.35Å; N186-V189 WeakPolarHBondContact O-CG2 3.33Å; N186-V189 PolarHBondContact O-N 3.02Å; N186-V189 VanDerWaalsContact O-N 3.12Å; L187-V189 PolarHBondContact O-N 2.92Å
190F65Low63.5Low4 Ų449 Ų492%0.01825%0.249CC..G310 helixtrans-85.6-12.2-176.7-53.3-54.3000114.3V15 W19 L64 Y93 L187 F188 I228V15-F190 HydrophobicContact CB-CE2 4.45Å; V15-F190 HydrophobicContact CB-CZ 3.79Å; V15-F190 HydrophobicContact CG1-CE1 4.45Å; V15-F190 HydrophobicContact CG1-CZ 3.63Å; V15-F190 HydrophobicContact CG2-CZ 4.41Å; W19-F190 AromaticContact CE3-CE2 4Å; W19-F190 HydrophobicContact CE3-CE2 4Å; W19-F190 HydrophobicContact CE3-CZ 4.29Å; W19-F190 HydrophobicContact CH2-CE1 4.28Å; W19-F190 AromaticContact CH2-CE2 3.79Å; W19-F190 HydrophobicContact CH2-CE2 3.79Å; W19-F190 AromaticContact CH2-CZ 3.56Å; W19-F190 HydrophobicContact CH2-CZ 3.56Å; W19-F190 HydrophobicContact CZ2-CZ 4.2Å; W19-F190 HydrophobicContact CZ3-CD2 4.16Å; W19-F190 AromaticContact CZ3-CE2 3.31Å; W19-F190 HydrophobicContact CZ3-CE2 3.31Å; W19-F190 AromaticContact CZ3-CZ 3.57Å; W19-F190 HydrophobicContact CZ3-CZ 3.57Å; L64-F190 HydrophobicContact CD1-CE1 3.93Å; L64-F190 HydrophobicContact CD1-CZ 4.47Å; L64-F190 HydrophobicContact CD2-CD1 4.48Å; L64-F190 HydrophobicContact CD2-CE1 3.65Å; L64-F190 HydrophobicContact CD2-CZ 4.4Å; L64-F190 HydrophobicContact CG-CE1 4.36Å; Y93-F190 WeakPolarHBondContact CD2-O 2.47Å; Y93-F190 HydrophobicContact CE2-CB 3.69Å; Y93-F190 AromaticContact CE2-CD1 3.99Å; Y93-F190 HydrophobicContact CE2-CD1 3.99Å; Y93-F190 HydrophobicContact CE2-CG 4.23Å; Y93-F190 AromaticContact CZ-CD1 3.94Å; Y93-F190 WeakPolarHBondContact OH-CD1 3.14Å; L187-F190 WeakPolarHBondContact O-CD2 3.43Å; L187-F190 PolarHBondContact O-N 2.73Å; F188-F190 PolarHBondContact O-N 2.69Å; F190-I228 HydrophobicContact CB-CG2 3.62Å; F190-I228 HydrophobicContact CG-CG2 4.34Å
191I76.9Confident66.4Low3 Ų340.6 Ų40.62%0.01522%0.222CC..  trans-107.7102.3-170.6-61.6166.3000108.1R174 F188 H193 H194 N225 I229R174-I191 PolarHBondContact NH2-O 3.39Å; F188-I191 PolarHBondContact O-N 3.03Å; I191-H193 WeakPolarHBondContact CG2-O 3.39Å; I191-H194 HydrophobicContact CG2-CB 4.27Å; I191-N225 WeakPolarHBondContact CG2-OD1 3.19Å; I191-I229 HydrophobicContact CD1-CD1 3.7Å; I191-I229 HydrophobicContact CD1-CG1 4.09Å
192A80.4Confident69.3Low12 Ų1237.5 Ų37.510%0.09921%0.205CC..SBendtrans-64.9-45.5175.900000111.2D91 F110D91-A192 HydrophobicContact CB-CB 4.04Å; D91-A192 WeakPolarHBondContact OD2-CB 3.13Å; F110-A192 HydrophobicContact CD2-CB 4.22Å
193H83.5Confident72.1Confident79 Ų7936.4 Ų36.437%0.36619%0.192SC..SBendtrans-126.2114.3177.6-159.4-62.2000111.1F110 I191 I221 N225F110-H193 HydrophobicContact CD1-CB 4.02Å; F110-H193 AromaticContact CD1-CD2 3.72Å; F110-H193 HydrophobicContact CD2-CB 3.94Å; F110-H193 HydrophobicContact CE1-CB 3.58Å; F110-H193 AromaticContact CE1-CD2 3.33Å; F110-H193 WeakPolarHBondContact CE1-CD2 3.36Å; F110-H193 AromaticContact CE1-CG 3.6Å; F110-H193 HydrophobicContact CE2-CB 3.48Å; F110-H193 VanDerWaalsContact CE2-CB 3.48Å; F110-H193 HydrophobicContact CG-CB 4.19Å; F110-H193 HydrophobicContact CZ-CB 3.28Å; F110-H193 AromaticContact CZ-CD2 3.94Å; F110-H193 AromaticContact CZ-CG 3.7Å; I191-H193 WeakPolarHBondContact CG2-O 3.39Å; H193-I221 HydrophobicContact CB-CG2 4.31Å; H193-I221 WeakPolarHBondContact O-CG2 3.42Å; H193-N225 PolarHBondContact O-ND2 3.41Å
194H83.1Confident74.7Confident35 Ų3533.1 Ų33.116%0.16217%0.17CC..  trans-72.6143175.1178.6-116000110.5I171 G173 I191 D196 I199I171-H194 PolarHBondContact O-NE2 3.35Å; G173-H194 WeakPolarHBondContact CA-CD2 3.18Å; G173-H194 WeakPolarHBondContact CA-NE2 3.44Å; I191-H194 HydrophobicContact CG2-CB 4.27Å; H194-D196 IonicContact CE1-OD2 2.7Å; H194-D196 PolarHBondContact CE1-OD2 3.05Å; H194-D196 IonicContact NE2-OD2 2.67Å; H194-D196 PolarHBondContact NE2-OD2 2.69Å; H194-I199 VanDerWaalsContact CE1-CD1 3.43Å; H194-I199 WeakPolarHBondContact CE1-CD1 3.41Å; H194-I199 VanDerWaalsContact ND1-CD1 3.33Å; H194-I199 WeakPolarHBondContact ND1-CD1 3.36Å
195M88.1Confident77.1Confident4 Ų435.2 Ų35.22%0.0217%0.174CC..  trans-162.2139.5176.5-165.159.463.700108.4I199 I200 D218 I221 M222M195-I199 HydrophobicContact CE-CG2 4.29Å; M195-I199 HydrophobicContact SD-CB 3.95Å; M195-I199 HydrophobicContact SD-CG2 3.47Å; M195-I199 WeakPolarHBondContact SD-CG2 3.43Å; M195-I200 HydrophobicContact CG-CD1 4.05Å; M195-I200 HydrophobicContact CG-CG1 3.96Å; M195-I200 HydrophobicContact SD-CG1 3.85Å; M195-D218 HydrophobicContact CE-CB 4.07Å; M195-D218 VanDerWaalsContact CE-CG 3.5Å; M195-D218 HydrophobicContact CG-CB 3.92Å; M195-D218 VanDerWaalsContact CG-O 3.29Å; M195-D218 WeakPolarHBondContact CG-O 3.37Å; M195-D218 HydrophobicContact SD-CB 3.92Å; M195-I221 HydrophobicContact CB-CB 4.09Å; M195-I221 HydrophobicContact CB-CG2 3.64Å; M195-M222 HydrophobicContact CG-CB 4.5Å
196D87.1Confident79.5Confident4 Ų434.3 Ų34.32%0.02118%0.179CC..  trans-152.2173.6175.76439000110.6L168 I171 H194 S198 I199 I200L168-D196 WeakPolarHBondContact O-CB 3.41Å; I171-D196 HydrophobicContact CB-CB 3.98Å; I171-D196 HydrophobicContact CD1-CB 4.33Å; I171-D196 HydrophobicContact CG1-CB 3.93Å; H194-D196 IonicContact CE1-OD2 2.7Å; H194-D196 PolarHBondContact CE1-OD2 3.05Å; H194-D196 IonicContact NE2-OD2 2.67Å; H194-D196 PolarHBondContact NE2-OD2 2.69Å; D196-S198 PolarHBondContact O-N 2.98Å; D196-S198 WeakPolarHBondContact OD1-CA 3.47Å; D196-S198 WeakPolarHBondContact OD1-CB 3.44Å; D196-S198 PolarHBondContact OD1-N 2.64Å; D196-I199 PolarHBondContact O-N 3.24Å; D196-I199 PolarHBondContact OD1-N 3.05Å; D196-I200 VanDerWaalsContact O-CG1 3.3Å; D196-I200 WeakPolarHBondContact O-CG1 3.33Å; D196-I200 PolarHBondContact O-N 2.87Å
197L87.6Confident81.5Confident0 Ų033.9 Ų33.90%018%0.18CC..Hα-helixtrans-62.1-28.2-177.1-67.3176.4000113.1L156 A163 L168 M169 S201 M222L156-L197 HydrophobicContact CD1-CD2 3.93Å; A163-L197 HydrophobicContact CB-CD1 3.84Å; L168-L197 HydrophobicContact CB-CD1 3.81Å; L168-L197 HydrophobicContact CB-CG 4.26Å; L168-L197 PolarHBondContact O-N 3.33Å; M169-L197 HydrophobicContact SD-CB 3.67Å; M169-L197 HydrophobicContact SD-CD1 3.63Å; M169-L197 HydrophobicContact SD-CG 4.29Å; L197-S201 WeakPolarHBondContact O-CB 3.43Å; L197-S201 PolarHBondContact O-N 3.44Å; L197-M222 HydrophobicContact CD2-CE 4.07Å; L197-M222 HydrophobicContact CD2-SD 3.69Å; L197-M222 HydrophobicContact CG-CE 4.49Å; L197-M222 HydrophobicContact CG-SD 3.68Å
198S85.8Confident83.6Confident48 Ų4837.7 Ų37.734%0.33620%0.2SC..Hα-helixtrans-71.9-41.8177.2-63.60000111.3M169 D196 S201 M202M169-S198 WeakPolarHBondContact O-CB 3.33Å; M169-S198 PolarHBondContact O-OG 3.28Å; D196-S198 PolarHBondContact O-N 2.98Å; D196-S198 WeakPolarHBondContact OD1-CA 3.47Å; D196-S198 WeakPolarHBondContact OD1-CB 3.44Å; D196-S198 PolarHBondContact OD1-N 2.64Å; S198-S201 PolarHBondContact O-N 3.4Å; S198-M202 WeakPolarHBondContact O-CB 3.41Å; S198-M202 PolarHBondContact O-N 3.23Å
199I88.2Confident85.5Confident45 Ų4536.6 Ų36.623%0.23120%0.195CC..Hα-helixtrans-65.1-42.9173.8-62.9170.8000110.5H194 M195 D196 S201 M202 K203H194-I199 VanDerWaalsContact CE1-CD1 3.43Å; H194-I199 WeakPolarHBondContact CE1-CD1 3.41Å; H194-I199 VanDerWaalsContact ND1-CD1 3.33Å; H194-I199 WeakPolarHBondContact ND1-CD1 3.36Å; M195-I199 HydrophobicContact CE-CG2 4.29Å; M195-I199 HydrophobicContact SD-CB 3.95Å; M195-I199 HydrophobicContact SD-CG2 3.47Å; M195-I199 WeakPolarHBondContact SD-CG2 3.43Å; D196-I199 PolarHBondContact O-N 3.24Å; D196-I199 PolarHBondContact OD1-N 3.05Å; I199-S201 VanDerWaalsContact C-N 3.33Å; I199-S201 PolarHBondContact O-N 2.87Å; I199-M202 HydrophobicContact CG2-CE 4.48Å; I199-M202 PolarHBondContact O-N 2.81Å; I199-K203 HydrophobicContact CG2-CD 4.34Å; I199-K203 HydrophobicContact CG2-CG 4.41Å; I199-K203 WeakPolarHBondContact O-CB 3.39Å; I199-K203 WeakPolarHBondContact O-CG 3.33Å; I199-K203 PolarHBondContact O-N 3.25Å
200I91.6Very high87.1Confident0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-61.8-41.9177.4-67165.7000110.7L156 M195 D196 K203 L204 F215 D218 V219 M222L156-I200 HydrophobicContact CD1-CG2 3.87Å; L156-I200 HydrophobicContact CD2-CG2 4.25Å; M195-I200 HydrophobicContact CG-CD1 4.05Å; M195-I200 HydrophobicContact CG-CG1 3.96Å; M195-I200 HydrophobicContact SD-CG1 3.85Å; D196-I200 VanDerWaalsContact O-CG1 3.3Å; D196-I200 WeakPolarHBondContact O-CG1 3.33Å; D196-I200 PolarHBondContact O-N 2.87Å; I200-K203 PolarHBondContact O-N 2.95Å; I200-L204 WeakPolarHBondContact O-CB 3.41Å; I200-L204 PolarHBondContact O-N 3.17Å; I200-F215 HydrophobicContact CG2-CD2 3.97Å; I200-F215 HydrophobicContact CG2-CE2 3.56Å; I200-D218 HydrophobicContact CD1-CB 4.28Å; I200-D218 HydrophobicContact CG1-CB 3.95Å; I200-V219 HydrophobicContact CD1-CG2 4.07Å; I200-M222 HydrophobicContact CD1-CB 4.4Å; I200-M222 HydrophobicContact CD1-SD 4.33Å
201S90.7Very high88.3Confident34 Ų3443 Ų4324%0.23822%0.218CC..Hα-helixtrans-61.6-50.1174-1650000112L156 L197 S198 I199 K203 L204 E205L156-S201 VanDerWaalsContact CD2-CA 3.4Å; L197-S201 WeakPolarHBondContact O-CB 3.43Å; L197-S201 PolarHBondContact O-N 3.44Å; S198-S201 PolarHBondContact O-N 3.4Å; I199-S201 VanDerWaalsContact C-N 3.33Å; I199-S201 PolarHBondContact O-N 2.87Å; S201-K203 VanDerWaalsContact C-N 3.31Å; S201-K203 PolarHBondContact O-N 2.89Å; S201-L204 PolarHBondContact O-N 3.18Å; S201-L204 VanDerWaalsContact O-N 3.14Å; S201-E205 WeakPolarHBondContact O-CG 3.47Å; S201-E205 PolarHBondContact O-N 3.33Å
202M92Very high88.9Confident97 Ų9743 Ų4348%0.47822%0.217SC..Hα-helixtrans-58.3-42.8177.4-178.2-159.17200111.7S198 I199 N206S198-M202 WeakPolarHBondContact O-CB 3.41Å; S198-M202 PolarHBondContact O-N 3.23Å; I199-M202 HydrophobicContact CG2-CE 4.48Å; I199-M202 PolarHBondContact O-N 2.81Å; M202-N206 WeakPolarHBondContact O-CB 3.09Å; M202-N206 PolarHBondContact O-N 2.96Å; M202-N206 VanDerWaalsContact O-N 3.14Å; M202-N206 PolarHBondContact O-ND2 2.92Å
203K92.9Very high89.4Confident44 Ų4443 Ų4319%0.19122%0.217CC..Hα-helixtrans-64.2-41.8176.3-77-172.465.7177.30111.9I199 I200 S201 G207 L208 Y209 D218I199-K203 HydrophobicContact CG2-CD 4.34Å; I199-K203 HydrophobicContact CG2-CG 4.41Å; I199-K203 WeakPolarHBondContact O-CB 3.39Å; I199-K203 WeakPolarHBondContact O-CG 3.33Å; I199-K203 PolarHBondContact O-N 3.25Å; I200-K203 PolarHBondContact O-N 2.95Å; S201-K203 VanDerWaalsContact C-N 3.31Å; S201-K203 PolarHBondContact O-N 2.89Å; K203-G207 PolarHBondContact O-N 2.95Å; K203-L208 HydrophobicContact CB-CB 4.16Å; K203-L208 HydrophobicContact CG-CB 4.34Å; K203-L208 HydrophobicContact CG-CD1 4.21Å; K203-L208 WeakPolarHBondContact O-CB 3.39Å; K203-L208 PolarHBondContact O-N 3.25Å; K203-Y209 HydrophobicContact CB-CD2 4.48Å; K203-Y209 HydrophobicContact CB-CE1 4.41Å; K203-Y209 HydrophobicContact CB-CE2 3.68Å; K203-Y209 HydrophobicContact CD-CE1 4.36Å; K203-D218 VanDerWaalsContact CD-OD2 3.3Å; K203-D218 WeakPolarHBondContact CD-OD2 3.49Å; K203-D218 VanDerWaalsContact CE-OD2 3.26Å; K203-D218 WeakPolarHBondContact CE-OD2 3.44Å; K203-D218 IonicContact NZ-OD1 2.78Å; K203-D218 IonicContact NZ-OD2 2.78Å; K203-D218 PolarHBondContact NZ-OD2 3.07Å
204L92.5Very high89.9Confident3 Ų340.9 Ų40.92%0.01621%0.207CC..Hα-helixtrans-65.4-48.7179.3-174.761.5000111.8I149 L152 K153 L156 I200 S201 N206 G207 Y209I149-L204 WeakPolarHBondContact CD1-O 3.3Å; I149-L204 HydrophobicContact CG1-CD1 4.14Å; I149-L204 WeakPolarHBondContact CG1-O 3.45Å; L152-L204 HydrophobicContact CB-CD1 3.74Å; L152-L204 HydrophobicContact CB-CD2 3.86Å; L152-L204 HydrophobicContact CB-CG 4.48Å; L152-L204 HydrophobicContact CD1-CD1 3.86Å; L152-L204 HydrophobicContact CG-CD1 4.44Å; K153-L204 HydrophobicContact CB-CD2 4.13Å; L156-L204 HydrophobicContact CB-CD2 4.4Å; L156-L204 HydrophobicContact CD2-CD2 4.01Å; I200-L204 WeakPolarHBondContact O-CB 3.41Å; I200-L204 PolarHBondContact O-N 3.17Å; S201-L204 PolarHBondContact O-N 3.18Å; S201-L204 VanDerWaalsContact O-N 3.14Å; L204-N206 VanDerWaalsContact C-N 3.31Å; L204-N206 PolarHBondContact O-N 2.86Å; L204-G207 PolarHBondContact O-N 3.45Å; L204-Y209 HydrophobicContact CB-CD2 4.28Å; L204-Y209 HydrophobicContact CB-CE2 4.06Å; L204-Y209 HydrophobicContact CD1-CD2 3.95Å; L204-Y209 HydrophobicContact CD1-CE2 4.43Å
205E89.8Confident90.4Very high106 Ų10639.2 Ų39.250%0.49520%0.199SC..Hα-helixtrans-67.9-30.6-176.8-67.3-176.1135.300112.9K153 S201 G207K153-E205 IonicContact NZ-OE1 2.85Å; K153-E205 PolarHBondContact NZ-OE1 3.45Å; S201-E205 WeakPolarHBondContact O-CG 3.47Å; S201-E205 PolarHBondContact O-N 3.33Å; E205-G207 VanDerWaalsContact C-N 3.3Å
206N91.2Very high90.7Very high110 Ų11040.6 Ų40.659%0.58821%0.207SC*.THydrogen-bonded Turntrans-85.34.8172.8-68.2-63.2000113.9M202 L204 L208M202-N206 WeakPolarHBondContact O-CB 3.09Å; M202-N206 PolarHBondContact O-N 2.96Å; M202-N206 VanDerWaalsContact O-N 3.14Å; M202-N206 PolarHBondContact O-ND2 2.92Å; L204-N206 VanDerWaalsContact C-N 3.31Å; L204-N206 PolarHBondContact O-N 2.86Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 HydrophobicContact CB-CD1 4.25Å; N206-L208 HydrophobicContact CB-CG 3.97Å; N206-L208 PolarHBondContact O-N 2.87Å
207G89.1Confident91Very high15 Ų1541.6 Ų41.616%0.15521%0.214CC..THydrogen-bonded Turntrans66.928.9177.500000114.9K203 L204 E205 Y209K203-G207 PolarHBondContact O-N 2.95Å; L204-G207 PolarHBondContact O-N 3.45Å; E205-G207 VanDerWaalsContact C-N 3.3Å; G207-Y209 PolarHBondContact O-N 3.14Å
208L92.6Very high91.4Very high99 Ų9942 Ų4252%0.51822%0.216SC..  trans-84.422.9-177.6-55.2-177.8000113.8K203 N206K203-L208 HydrophobicContact CB-CB 4.16Å; K203-L208 HydrophobicContact CG-CB 4.34Å; K203-L208 HydrophobicContact CG-CD1 4.21Å; K203-L208 WeakPolarHBondContact O-CB 3.39Å; K203-L208 PolarHBondContact O-N 3.25Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 HydrophobicContact CB-CD1 4.25Å; N206-L208 HydrophobicContact CB-CG 3.97Å; N206-L208 PolarHBondContact O-N 2.87Å
209Y91.4Very high91.7Very high5 Ų539.8 Ų39.82%0.0220%0.2CC..  trans-125.5124.5170.1-61-60.5000107.8L148 K203 L204 G207 E214 F215 D218L148-Y209 WeakPolarHBondContact CD2-O 3.46Å; K203-Y209 HydrophobicContact CB-CD2 4.48Å; K203-Y209 HydrophobicContact CB-CE1 4.41Å; K203-Y209 HydrophobicContact CB-CE2 3.68Å; K203-Y209 HydrophobicContact CD-CE1 4.36Å; L204-Y209 HydrophobicContact CB-CD2 4.28Å; L204-Y209 HydrophobicContact CB-CE2 4.06Å; L204-Y209 HydrophobicContact CD1-CD2 3.95Å; L204-Y209 HydrophobicContact CD1-CE2 4.43Å; G207-Y209 PolarHBondContact O-N 3.14Å; Y209-E214 HydrophobicContact CD1-CB 3.65Å; Y209-E214 HydrophobicContact CE1-CB 4.25Å; Y209-F215 HydrophobicContact CD1-CB 4.37Å; Y209-F215 HydrophobicContact CD2-CB 4.41Å; Y209-F215 HydrophobicContact CD2-CD2 4.44Å; Y209-F215 HydrophobicContact CE1-CB 4.38Å; Y209-F215 HydrophobicContact CE2-CB 4.44Å; Y209-F215 AromaticContact CE2-CD2 3.96Å; Y209-F215 HydrophobicContact CE2-CD2 3.96Å; Y209-F215 HydrophobicContact CG-CB 4.38Å; Y209-D218 WeakPolarHBondContact CE1-OD2 3.46Å; Y209-D218 PolarHBondContact OH-OD2 3.3Å
210W89.7Confident92.1Very high141 Ų14139.9 Ų39.953%0.53420%0.2SC..SBendtrans-106.6-3.716954.333.4000111.8H137 N142 C143 E214H137-W210 AromaticContact CE1-NE1 3.83Å; N142-W210 CarbonylContact C-O 3.58Å; N142-W210 VanDerWaalsContact CA-O 3.27Å; N142-W210 WeakPolarHBondContact CA-O 3.36Å; C143-W210 PolarHBondContact N-O 2.93Å; W210-E214 PolarHBondContact N-OE2 2.98Å; W210-E214 PolarHBondContact NE1-OE1 3.23Å; W210-E214 PolarHBondContact NE1-OE2 3.31Å
211K89.7Confident92.2Very high20 Ų2040 Ų409%0.08720%0.2CC..SBendtrans-140.9148.3-172.9-88.4175.8-161-177.50110.5H137 E140 N142 E214H137-K211 PolarHBondContact NE2-NZ 3.45Å; H137-K211 PolarHBondContact O-NZ 3.05Å; E140-K211 HydrophobicContact CB-CD 4.45Å; E140-K211 WeakPolarHBondContact O-CE 3.28Å; E140-K211 PolarHBondContact O-NZ 2.67Å; E140-K211 WeakPolarHBondContact OE2-CB 3.41Å; N142-K211 WeakPolarHBondContact OD1-CE 3.38Å; K211-E214 HydrophobicContact CB-CB 4.49Å; K211-E214 HydrophobicContact CB-CG 3.81Å; K211-E214 PolarHBondContact N-OE2 3.18Å; K211-E214 PolarHBondContact O-N 3.1Å
212L90.2Very high92.3Very high2 Ų238.4 Ų38.41%0.0119%0.189CC..Hα-helixtrans-69.9-39.1-179.3-160.162.3000110.9E140 L148 L151 L152 E214 F215 L216 T251 W254E140-L212 PolarHBondContact OE2-N 3.41Å; L148-L212 HydrophobicContact CD1-CD1 3.74Å; L151-L212 HydrophobicContact CD2-CD1 3.75Å; L152-L212 HydrophobicContact CD2-CD1 4.02Å; L212-E214 PolarHBondContact O-N 2.75Å; L212-F215 PolarHBondContact O-N 3Å; L212-L216 PolarHBondContact O-N 3.48Å; L212-T251 HydrophobicContact CD1-CG2 3.63Å; L212-T251 HydrophobicContact CD2-CG2 4.39Å; L212-T251 HydrophobicContact CG-CG2 3.92Å; L212-W254 HydrophobicContact CD2-CE3 4.08Å; L212-W254 HydrophobicContact CD2-CZ3 4.47Å
213C91.4Very high92.3Very high13 Ų1334.2 Ų34.29%0.08817%0.169CC..Hα-helixtrans-64.7-19.1175.670.70000114.1T136 E140 S217T136-C213 HydrophobicContact CG2-CB 3.67Å; E140-C213 WeakPolarHBondContact OE1-CB 3.27Å; E140-C213 PolarHBondContact OE1-N 2.67Å; E140-C213 VanDerWaalsContact OE1-N 3.16Å; E140-C213 WeakPolarHBondContact OE2-CB 3.5Å; E140-C213 PolarHBondContact OE2-N 2.85Å; E140-C213 PolarHBondContact OE2-SG 3.36Å; C213-S217 WeakPolarHBondContact O-CA 3.45Å; C213-S217 WeakPolarHBondContact O-CB 3.25Å; C213-S217 PolarHBondContact O-N 3.1Å
214E93Very high92.4Very high34 Ų3432.1 Ų32.116%0.15916%0.16CC..Hα-helixtrans-76.1-43176.5-66.9179.9137.400112H137 Y209 W210 K211 L212 S217 D218H137-E214 IonicContact CE1-OE1 3.72Å; H137-E214 PolarHBondContact CE1-OE1 3.49Å; H137-E214 VanDerWaalsContact CE1-OE1 3.28Å; H137-E214 IonicContact ND1-OE1 2.7Å; Y209-E214 HydrophobicContact CD1-CB 3.65Å; Y209-E214 HydrophobicContact CE1-CB 4.25Å; W210-E214 PolarHBondContact N-OE2 2.98Å; W210-E214 PolarHBondContact NE1-OE1 3.23Å; W210-E214 PolarHBondContact NE1-OE2 3.31Å; K211-E214 HydrophobicContact CB-CB 4.49Å; K211-E214 HydrophobicContact CB-CG 3.81Å; K211-E214 PolarHBondContact N-OE2 3.18Å; K211-E214 PolarHBondContact O-N 3.1Å; L212-E214 PolarHBondContact O-N 2.75Å; E214-S217 WeakPolarHBondContact O-CB 3.23Å; E214-S217 PolarHBondContact O-N 2.88Å; E214-D218 PolarHBondContact O-N 3.15Å
215F93.5Very high92.2Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-60.7-48.4171.8172.5-96.1000110.4L152 I200 Y209 L212 S217 D218 V219 A247L152-F215 HydrophobicContact CB-CE2 4.48Å; L152-F215 HydrophobicContact CD1-CB 3.65Å; L152-F215 HydrophobicContact CD1-CD1 4.19Å; L152-F215 HydrophobicContact CD1-CD2 3.87Å; L152-F215 HydrophobicContact CD1-CG 3.64Å; L152-F215 HydrophobicContact CD2-CB 4.48Å; L152-F215 HydrophobicContact CD2-CD1 3.57Å; L152-F215 HydrophobicContact CD2-CD2 4.45Å; L152-F215 HydrophobicContact CD2-CE1 3.81Å; L152-F215 HydrophobicContact CD2-CG 3.92Å; L152-F215 HydrophobicContact CD2-CZ 4.35Å; L152-F215 HydrophobicContact CG-CD1 4.44Å; L152-F215 HydrophobicContact CG-CG 4.31Å; I200-F215 HydrophobicContact CG2-CD2 3.97Å; I200-F215 HydrophobicContact CG2-CE2 3.56Å; Y209-F215 HydrophobicContact CD1-CB 4.37Å; Y209-F215 HydrophobicContact CD2-CB 4.41Å; Y209-F215 HydrophobicContact CD2-CD2 4.44Å; Y209-F215 HydrophobicContact CE1-CB 4.38Å; Y209-F215 HydrophobicContact CE2-CB 4.44Å; Y209-F215 AromaticContact CE2-CD2 3.96Å; Y209-F215 HydrophobicContact CE2-CD2 3.96Å; Y209-F215 HydrophobicContact CG-CB 4.38Å; L212-F215 PolarHBondContact O-N 3Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 2.82Å; F215-D218 PolarHBondContact O-N 2.61Å; F215-V219 HydrophobicContact CD1-CG2 4.44Å; F215-V219 HydrophobicContact CE1-CG2 4.05Å; F215-V219 HydrophobicContact CE2-CG2 4.47Å; F215-V219 HydrophobicContact CZ-CG2 4.07Å; F215-V219 WeakPolarHBondContact O-CG2 3.48Å; F215-V219 PolarHBondContact O-N 3.18Å; F215-V219 VanDerWaalsContact O-N 3.07Å; F215-A247 HydrophobicContact CE1-CB 4.25Å
216L93.8Very high92.1Very high33 Ų3327 Ų2717%0.17314%0.136CC..Hα-helixtrans-62.3-37.3176.2-66.1176.5000112.3L212 D218 V219 E220 F244 A247 K248 T251L212-L216 PolarHBondContact O-N 3.48Å; L216-D218 VanDerWaalsContact C-N 3.34Å; L216-D218 PolarHBondContact O-N 3.4Å; L216-V219 PolarHBondContact O-N 3.12Å; L216-E220 WeakPolarHBondContact O-CB 3.37Å; L216-E220 PolarHBondContact O-N 3.31Å; L216-F244 HydrophobicContact CB-CE2 4.39Å; L216-F244 HydrophobicContact CD2-CE2 4.43Å; L216-F244 WeakPolarHBondContact O-CE2 3.47Å; L216-A247 HydrophobicContact CD2-CB 3.97Å; L216-K248 HydrophobicContact CD2-CG 4.07Å; L216-T251 HydrophobicContact CD1-CG2 4.48Å; L216-T251 HydrophobicContact CD2-CG2 4.04Å; L216-T251 HydrophobicContact CG-CG2 4.31Å
217S94.7Very high92Very high24 Ų2422 Ų2217%0.16811%0.109CC..Hα-helixtrans-59.1-42.7173.8160.60000111.6R111 C213 E214 F215 E220 I221R111-S217 PolarHBondContact NH1-OG 3.24Å; R111-S217 PolarHBondContact NH2-O 3.37Å; R111-S217 PolarHBondContact NH2-OG 2.83Å; C213-S217 WeakPolarHBondContact O-CA 3.45Å; C213-S217 WeakPolarHBondContact O-CB 3.25Å; C213-S217 PolarHBondContact O-N 3.1Å; E214-S217 WeakPolarHBondContact O-CB 3.23Å; E214-S217 PolarHBondContact O-N 2.88Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 2.82Å; S217-E220 WeakPolarHBondContact O-CB 3.18Å; S217-E220 PolarHBondContact O-N 3.19Å; S217-I221 WeakPolarHBondContact O-CD1 3.35Å; S217-I221 WeakPolarHBondContact O-CG1 3.48Å; S217-I221 PolarHBondContact O-N 2.88Å
218D94.7Very high91.8Very high10 Ų1021.4 Ų21.45%0.05310%0.102CC..Hα-helixtrans-70.9-38.7179-73.6-2.9000112.3M195 I200 K203 Y209 E214 F215 L216 E220 I221 M222M195-D218 HydrophobicContact CE-CB 4.07Å; M195-D218 VanDerWaalsContact CE-CG 3.5Å; M195-D218 HydrophobicContact CG-CB 3.92Å; M195-D218 VanDerWaalsContact CG-O 3.29Å; M195-D218 WeakPolarHBondContact CG-O 3.37Å; M195-D218 HydrophobicContact SD-CB 3.92Å; I200-D218 HydrophobicContact CD1-CB 4.28Å; I200-D218 HydrophobicContact CG1-CB 3.95Å; K203-D218 VanDerWaalsContact CD-OD2 3.3Å; K203-D218 WeakPolarHBondContact CD-OD2 3.49Å; K203-D218 VanDerWaalsContact CE-OD2 3.26Å; K203-D218 WeakPolarHBondContact CE-OD2 3.44Å; K203-D218 IonicContact NZ-OD1 2.78Å; K203-D218 IonicContact NZ-OD2 2.78Å; K203-D218 PolarHBondContact NZ-OD2 3.07Å; Y209-D218 WeakPolarHBondContact CE1-OD2 3.46Å; Y209-D218 PolarHBondContact OH-OD2 3.3Å; E214-D218 PolarHBondContact O-N 3.15Å; F215-D218 PolarHBondContact O-N 2.61Å; L216-D218 VanDerWaalsContact C-N 3.34Å; L216-D218 PolarHBondContact O-N 3.4Å; D218-E220 VanDerWaalsContact C-N 3.32Å; D218-E220 PolarHBondContact O-N 3.3Å; D218-I221 PolarHBondContact O-N 3.34Å; D218-M222 PolarHBondContact O-N 2.88Å
219V93.7Very high91.1Very high0 Ų017.1 Ų17.10%08%0.08CC..Hα-helixtrans-62.8-40.3172.2-176.50000110.6I200 F215 L216 I221 M222 V223 F244 A247I200-V219 HydrophobicContact CD1-CG2 4.07Å; F215-V219 HydrophobicContact CD1-CG2 4.44Å; F215-V219 HydrophobicContact CE1-CG2 4.05Å; F215-V219 HydrophobicContact CE2-CG2 4.47Å; F215-V219 HydrophobicContact CZ-CG2 4.07Å; F215-V219 WeakPolarHBondContact O-CG2 3.48Å; F215-V219 PolarHBondContact O-N 3.18Å; F215-V219 VanDerWaalsContact O-N 3.07Å; L216-V219 PolarHBondContact O-N 3.12Å; V219-I221 PolarHBondContact O-N 3.24Å; V219-M222 HydrophobicContact CG1-CE 4.19Å; V219-M222 WeakPolarHBondContact O-CB 3.44Å; V219-M222 PolarHBondContact O-N 3.36Å; V219-V223 WeakPolarHBondContact O-CG2 3.49Å; V219-V223 PolarHBondContact O-N 3.22Å; V219-F244 HydrophobicContact CB-CD2 3.99Å; V219-F244 HydrophobicContact CG1-CB 3.9Å; V219-F244 HydrophobicContact CG1-CD2 3.64Å; V219-F244 HydrophobicContact CG1-CG 4.19Å; V219-A247 HydrophobicContact CG1-CB 4.49Å
220E95.7Very high90.5Very high48 Ų4819.3 Ų19.322%0.2249%0.088CC..Hα-helixtrans-59.9-44.2173.9-175-168.4-118.500111.7F95 R111 S133 L216 S217 D218 M222 V223 H224 F244F95-E220 HydrophobicContact CD1-CG 4.15Å; F95-E220 HydrophobicContact CE1-CG 4.07Å; R111-E220 IonicContact CZ-OE2 3.37Å; R111-E220 IonicContact NE-OE2 3.28Å; R111-E220 PolarHBondContact NE-OE2 3.04Å; R111-E220 IonicContact NH2-OE2 3.19Å; R111-E220 PolarHBondContact NH2-OE2 2.95Å; S133-E220 PolarHBondContact OG-OE2 3.14Å; L216-E220 WeakPolarHBondContact O-CB 3.37Å; L216-E220 PolarHBondContact O-N 3.31Å; S217-E220 WeakPolarHBondContact O-CB 3.18Å; S217-E220 PolarHBondContact O-N 3.19Å; D218-E220 VanDerWaalsContact C-N 3.32Å; D218-E220 PolarHBondContact O-N 3.3Å; E220-M222 VanDerWaalsContact C-N 3.33Å; E220-M222 PolarHBondContact O-N 3.43Å; E220-V223 PolarHBondContact O-N 3.28Å; E220-H224 WeakPolarHBondContact O-CB 3.19Å; E220-H224 PolarHBondContact O-N 3.18Å; E220-F244 HydrophobicContact CB-CE1 4.45Å; E220-F244 HydrophobicContact CB-CE2 4.07Å; E220-F244 HydrophobicContact CB-CZ 3.86Å; E220-F244 HydrophobicContact CG-CE1 4.48Å; E220-F244 HydrophobicContact CG-CZ 4.23Å
221I94.1Very high90Very high2 Ų213.5 Ų13.51%0.017%0.073CC..Hα-helixtrans-62.3-42176.3-64.5158.5000110.7F95 F110 H193 M195 S217 D218 V219 H224 N225F95-I221 HydrophobicContact CE1-CG1 4.11Å; F95-I221 HydrophobicContact CZ-CB 4.47Å; F95-I221 HydrophobicContact CZ-CG1 3.93Å; F110-I221 HydrophobicContact CE1-CD1 4.19Å; F110-I221 HydrophobicContact CE2-CG1 4.43Å; F110-I221 HydrophobicContact CZ-CD1 3.58Å; F110-I221 HydrophobicContact CZ-CG1 3.76Å; F110-I221 HydrophobicContact CZ-CG2 4.38Å; H193-I221 HydrophobicContact CB-CG2 4.31Å; H193-I221 WeakPolarHBondContact O-CG2 3.42Å; M195-I221 HydrophobicContact CB-CB 4.09Å; M195-I221 HydrophobicContact CB-CG2 3.64Å; S217-I221 WeakPolarHBondContact O-CD1 3.35Å; S217-I221 WeakPolarHBondContact O-CG1 3.48Å; S217-I221 PolarHBondContact O-N 2.88Å; D218-I221 PolarHBondContact O-N 3.34Å; V219-I221 PolarHBondContact O-N 3.24Å; I221-H224 PolarHBondContact O-N 3.42Å; I221-N225 WeakPolarHBondContact O-CB 3.47Å; I221-N225 PolarHBondContact O-N 3.49Å; I221-N225 PolarHBondContact O-ND2 3.02Å
222M92.5Very high89.8Confident0 Ų015.5 Ų15.50%09%0.089CC..Hα-helixtrans-59.9-49.6174.5-177.4-166.870.400111.3I171 M195 L197 I200 D218 V219 E220 H224 N225 V226 T243I171-M222 HydrophobicContact CD1-CG 3.48Å; I171-M222 VanDerWaalsContact CD1-CG 3.48Å; M195-M222 HydrophobicContact CG-CB 4.5Å; L197-M222 HydrophobicContact CD2-CE 4.07Å; L197-M222 HydrophobicContact CD2-SD 3.69Å; L197-M222 HydrophobicContact CG-CE 4.49Å; L197-M222 HydrophobicContact CG-SD 3.68Å; I200-M222 HydrophobicContact CD1-CB 4.4Å; I200-M222 HydrophobicContact CD1-SD 4.33Å; D218-M222 PolarHBondContact O-N 2.88Å; V219-M222 HydrophobicContact CG1-CE 4.19Å; V219-M222 WeakPolarHBondContact O-CB 3.44Å; V219-M222 PolarHBondContact O-N 3.36Å; E220-M222 VanDerWaalsContact C-N 3.33Å; E220-M222 PolarHBondContact O-N 3.43Å; M222-H224 VanDerWaalsContact C-N 3.33Å; M222-H224 PolarHBondContact O-N 3.36Å; M222-N225 PolarHBondContact O-N 2.94Å; M222-V226 VanDerWaalsContact O-CG2 3.3Å; M222-V226 WeakPolarHBondContact O-CG2 3.07Å; M222-V226 PolarHBondContact O-N 2.85Å; M222-T243 HydrophobicContact CE-CG2 3.81Å
223V93.1Very high89.4Confident9 Ų922 Ų226%0.05512%0.123CC..Hα-helixtrans-59.5-44.3177.2175.30000111.5V219 E220 N225 V226 N227 A240 E241 F244V219-V223 WeakPolarHBondContact O-CG2 3.49Å; V219-V223 PolarHBondContact O-N 3.22Å; E220-V223 PolarHBondContact O-N 3.28Å; V223-N225 PolarHBondContact O-N 2.88Å; V223-V226 PolarHBondContact O-N 3.4Å; V223-N227 WeakPolarHBondContact O-CB 3.34Å; V223-N227 PolarHBondContact O-N 2.78Å; V223-A240 HydrophobicContact CG2-CB 4.04Å; V223-A240 WeakPolarHBondContact CG2-O 3.44Å; V223-E241 HydrophobicContact CG1-CG 3.79Å; V223-F244 HydrophobicContact CG2-CB 3.7Å; V223-F244 HydrophobicContact CG2-CG 4.35Å
224H93.6Very high89.1Confident0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-57.9-47.3177.4-179.184.6000111.9D91 C94 F95 H98 E220 I221 M222 V226 N227 I228D91-H224 IonicContact OD1-NE2 2.69Å; D91-H224 IonicContact OD2-CD2 2.82Å; D91-H224 IonicContact OD2-NE2 3.94Å; C94-H224 PolarHBondContact O-CE1 3.36Å; F95-H224 HydrophobicContact CD1-CB 4.47Å; F95-H224 AromaticContact CD2-CD2 3.89Å; F95-H224 AromaticContact CD2-CE1 3.47Å; F95-H224 VanDerWaalsContact CD2-CE1 3.47Å; F95-H224 WeakPolarHBondContact CD2-CE1 3.42Å; F95-H224 AromaticContact CD2-CG 3.9Å; F95-H224 AromaticContact CD2-ND1 3.63Å; F95-H224 AromaticContact CD2-NE2 3.61Å; F95-H224 HydrophobicContact CE1-CB 3.99Å; F95-H224 HydrophobicContact CE2-CB 4.31Å; F95-H224 AromaticContact CE2-CD2 3.36Å; F95-H224 WeakPolarHBondContact CE2-CD2 3.44Å; F95-H224 AromaticContact CE2-CE1 3.77Å; F95-H224 AromaticContact CE2-CG 3.61Å; F95-H224 AromaticContact CE2-ND1 3.85Å; F95-H224 AromaticContact CE2-NE2 3.46Å; F95-H224 WeakPolarHBondContact CE2-NE2 3.46Å; F95-H224 AromaticContact CG-ND1 3.83Å; F95-H224 HydrophobicContact CZ-CB 3.89Å; F95-H224 AromaticContact CZ-CD2 3.75Å; F95-H224 AromaticContact CZ-CG 3.71Å; H98-H224 AromaticContact CE1-ND1 3.64Å; H98-H224 AromaticContact ND1-CE1 3.85Å; H98-H224 AromaticContact ND1-CG 3.69Å; H98-H224 AromaticContact ND1-ND1 2.99Å; H98-H224 PolarHBondContact ND1-ND1 3.48Å; E220-H224 WeakPolarHBondContact O-CB 3.19Å; E220-H224 PolarHBondContact O-N 3.18Å; I221-H224 PolarHBondContact O-N 3.42Å; M222-H224 VanDerWaalsContact C-N 3.33Å; M222-H224 PolarHBondContact O-N 3.36Å; H224-V226 PolarHBondContact O-N 2.78Å; H224-N227 WeakPolarHBondContact O-CB 3.39Å; H224-N227 PolarHBondContact O-N 2.67Å; H224-I228 VanDerWaalsContact NE2-CD1 3.33Å; H224-I228 WeakPolarHBondContact NE2-CD1 2.97Å; H224-I228 WeakPolarHBondContact O-CG1 3.2Å; H224-I228 PolarHBondContact O-N 3.16Å
225N89.2Confident88.6Confident1 Ų126.4 Ų26.41%0.00515%0.149CC..Hα-helixtrans-61.7-42.4176.1-69.3-22.2000112.3I191 H193 I221 M222 V223 I228 I229I191-N225 WeakPolarHBondContact CG2-OD1 3.19Å; H193-N225 PolarHBondContact O-ND2 3.41Å; I221-N225 WeakPolarHBondContact O-CB 3.47Å; I221-N225 PolarHBondContact O-N 3.49Å; I221-N225 PolarHBondContact O-ND2 3.02Å; M222-N225 PolarHBondContact O-N 2.94Å; V223-N225 PolarHBondContact O-N 2.88Å; N225-I228 PolarHBondContact O-N 3.03Å; N225-I229 WeakPolarHBondContact O-CB 3.44Å; N225-I229 WeakPolarHBondContact O-CD1 3.1Å; N225-I229 WeakPolarHBondContact O-CG1 3.26Å; N225-I229 PolarHBondContact O-N 3.06Å
226V87.4Confident88Confident0 Ų028.2 Ų28.20%016%0.158CC..Hα-helixtrans-61.1-45.4175.5174.40000110.9L168 I171 M222 V223 H224 I228 I229 Y230 M236 A240L168-V226 HydrophobicContact CD2-CG1 4.46Å; L168-V226 HydrophobicContact CD2-CG2 3.45Å; L168-V226 VanDerWaalsContact CD2-CG2 3.45Å; I171-V226 HydrophobicContact CD1-CG2 3.49Å; I171-V226 VanDerWaalsContact CD1-CG2 3.49Å; I171-V226 HydrophobicContact CG1-CG2 4.43Å; M222-V226 VanDerWaalsContact O-CG2 3.3Å; M222-V226 WeakPolarHBondContact O-CG2 3.07Å; M222-V226 PolarHBondContact O-N 2.85Å; V223-V226 PolarHBondContact O-N 3.4Å; H224-V226 PolarHBondContact O-N 2.78Å; V226-I228 VanDerWaalsContact C-N 3.35Å; V226-I228 PolarHBondContact O-N 2.85Å; V226-I229 PolarHBondContact O-N 3.34Å; V226-Y230 HydrophobicContact CB-CD2 4.37Å; V226-Y230 HydrophobicContact CG1-CD2 3.75Å; V226-Y230 HydrophobicContact CG1-CE2 4.35Å; V226-Y230 WeakPolarHBondContact O-CD2 3.46Å; V226-Y230 PolarHBondContact O-N 2.77Å; V226-M236 HydrophobicContact CG1-CB 4.32Å; V226-M236 HydrophobicContact CG1-CG 3.86Å; V226-A240 HydrophobicContact CB-CB 4.07Å; V226-A240 HydrophobicContact CG1-CB 3.91Å; V226-A240 HydrophobicContact CG2-CB 4.01Å
227N89.4Confident87.7Confident6 Ų626.6 Ų26.63%0.03215%0.15CC..Hα-helixtrans-58.8-44.1178.7-115.3-64.3000111.9H98 V223 H224 G231 C232 T237 E241H98-N227 HydrophobicContact CB-CB 3.66Å; H98-N227 PolarHBondContact CD2-ND2 2.91Å; H98-N227 PolarHBondContact NE2-ND2 2.93Å; V223-N227 WeakPolarHBondContact O-CB 3.34Å; V223-N227 PolarHBondContact O-N 2.78Å; H224-N227 WeakPolarHBondContact O-CB 3.39Å; H224-N227 PolarHBondContact O-N 2.67Å; N227-G231 WeakPolarHBondContact O-CA 3.47Å; N227-G231 PolarHBondContact O-N 3.34Å; N227-C232 VanDerWaalsContact OD1-CA 3.26Å; N227-C232 WeakPolarHBondContact OD1-CA 3.42Å; N227-C232 PolarHBondContact OD1-N 2.82Å; N227-T237 HydrophobicContact CB-CG2 4.19Å; N227-T237 WeakPolarHBondContact ND2-CG2 3.31Å; N227-T237 WeakPolarHBondContact OD1-CG2 3.46Å; N227-E241 PolarHBondContact ND2-OE1 3.24Å
228I84.7Confident87.5Confident2 Ų230 Ų301%0.0116%0.161CC..Hα-helixtrans-63-50.3174-67.8165000111.3P12 Y93 F190 H224 N225 V226P12-I228 HydrophobicContact CB-CG2 4.16Å; P12-I228 WeakPolarHBondContact CB-O 3.33Å; P12-I228 HydrophobicContact CG-CG2 4.36Å; Y93-I228 HydrophobicContact CD1-CD1 4.4Å; Y93-I228 HydrophobicContact CD1-CG1 4.12Å; Y93-I228 HydrophobicContact CD2-CD1 3.51Å; Y93-I228 HydrophobicContact CD2-CG1 4.04Å; Y93-I228 HydrophobicContact CD2-CG2 4.39Å; Y93-I228 HydrophobicContact CE2-CD1 4.29Å; Y93-I228 HydrophobicContact CE2-CG2 4.14Å; Y93-I228 HydrophobicContact CG-CD1 3.6Å; Y93-I228 HydrophobicContact CG-CG1 3.8Å; F190-I228 HydrophobicContact CB-CG2 3.62Å; F190-I228 HydrophobicContact CG-CG2 4.34Å; H224-I228 VanDerWaalsContact NE2-CD1 3.33Å; H224-I228 WeakPolarHBondContact NE2-CD1 2.97Å; H224-I228 WeakPolarHBondContact O-CG1 3.2Å; H224-I228 PolarHBondContact O-N 3.16Å; N225-I228 PolarHBondContact O-N 3.03Å; V226-I228 VanDerWaalsContact C-N 3.35Å; V226-I228 PolarHBondContact O-N 2.85Å
229I78Confident87.2Confident10 Ų1031.4 Ų31.45%0.05117%0.171CC..Hα-helixtrans-67.3-46-171.4-70.4164.9000112.3I171 L187 I191 N225 V226I171-I229 HydrophobicContact CG2-CD1 3.37Å; L187-I229 HydrophobicContact CD2-CB 4.37Å; L187-I229 HydrophobicContact CD2-CG1 4.22Å; L187-I229 HydrophobicContact CD2-CG2 3.56Å; I191-I229 HydrophobicContact CD1-CD1 3.7Å; I191-I229 HydrophobicContact CD1-CG1 4.09Å; N225-I229 WeakPolarHBondContact O-CB 3.44Å; N225-I229 WeakPolarHBondContact O-CD1 3.1Å; N225-I229 WeakPolarHBondContact O-CG1 3.26Å; N225-I229 PolarHBondContact O-N 3.06Å; V226-I229 PolarHBondContact O-N 3.34Å
230Y79.4Confident87Confident50 Ų5031.4 Ų31.420%0.19617%0.171CC..Hα-helixtrans-107.3-19.5-169.2-56.6-79.2000113.2K167 V226 S234 M236K167-Y230 WeakPolarHBondContact CB-OH 3.16Å; K167-Y230 WeakPolarHBondContact CD-OH 3.44Å; V226-Y230 HydrophobicContact CB-CD2 4.37Å; V226-Y230 HydrophobicContact CG1-CD2 3.75Å; V226-Y230 HydrophobicContact CG1-CE2 4.35Å; V226-Y230 WeakPolarHBondContact O-CD2 3.46Å; V226-Y230 PolarHBondContact O-N 2.77Å; Y230-S234 WeakPolarHBondContact CB-OG 3.5Å; Y230-M236 HydrophobicContact CD2-CB 4.15Å; Y230-M236 HydrophobicContact CD2-CG 3.77Å; Y230-M236 HydrophobicContact CE2-CG 3.75Å; Y230-M236 HydrophobicContact CG-CB 4.16Å; Y230-M236 HydrophobicContact CG-CG 4.23Å
231G78.6Confident86.8Confident20 Ų2032.3 Ų32.321%0.20618%0.175CC..  trans85.4149.1-174.900000113N227 N233 S234 T237N227-G231 WeakPolarHBondContact O-CA 3.47Å; N227-G231 PolarHBondContact O-N 3.34Å; G231-N233 VanDerWaalsContact C-N 3.25Å; G231-N233 PolarHBondContact O-N 3.2Å; G231-N233 VanDerWaalsContact O-N 3.12Å; G231-S234 WeakPolarHBondContact O-CB 3.17Å; G231-S234 PolarHBondContact O-N 3.16Å; G231-T237 WeakPolarHBondContact O-CB 3.25Å; G231-T237 PolarHBondContact O-OG1 3.28Å
232C85.5Confident86.6Confident62 Ų6240.1 Ų40.142%0.41920%0.204SC..THydrogen-bonded Turntrans-46.5-42.2-179.353.50000114.5N227 S234N227-C232 VanDerWaalsContact OD1-CA 3.26Å; N227-C232 WeakPolarHBondContact OD1-CA 3.42Å; N227-C232 PolarHBondContact OD1-N 2.82Å; C232-S234 PolarHBondContact O-N 2.81Å
233N82Confident86.3Confident139 Ų13940.3 Ų40.374%0.74321%0.205SC*.THydrogen-bonded Turntrans-75.9-2.9-176-65.5-26000115G231 K238G231-N233 VanDerWaalsContact C-N 3.25Å; G231-N233 PolarHBondContact O-N 3.2Å; G231-N233 VanDerWaalsContact O-N 3.12Å; N233-K238 WeakPolarHBondContact O-CE 3.43Å; N233-K238 PolarHBondContact O-NZ 3.08Å
234S83.7Confident86.2Confident27 Ų2741.4 Ų41.419%0.18921%0.209CC..SBendtrans-77.7147.1-177.11000000112.7Y230 G231 C232 M236 T237 K238Y230-S234 WeakPolarHBondContact CB-OG 3.5Å; G231-S234 WeakPolarHBondContact O-CB 3.17Å; G231-S234 PolarHBondContact O-N 3.16Å; C232-S234 PolarHBondContact O-N 2.81Å; S234-M236 PolarHBondContact O-N 3.08Å; S234-M236 PolarHBondContact OG-N 3.17Å; S234-T237 WeakPolarHBondContact O-CB 3.46Å; S234-T237 PolarHBondContact O-N 2.82Å; S234-T237 PolarHBondContact OG-N 3.28Å; S234-T237 PolarHBondContact OG-OG1 3.46Å; S234-K238 WeakPolarHBondContact O-CG 3.32Å; S234-K238 PolarHBondContact O-N 2.86Å
235D83.8Confident86.1Confident112 Ų11246.4 Ų46.460%0.59923%0.233SC*.Hα-helixtrans-68.3-25.8177.5-54.9-45.6000112.6T237 K238 T239D235-T237 VanDerWaalsContact C-N 3.3Å; D235-K238 IonicContact OD1-NZ 3.17Å; D235-K238 PolarHBondContact OD1-NZ 3.21Å; D235-T239 VanDerWaalsContact O-CB 3.32Å; D235-T239 WeakPolarHBondContact O-CB 3.48Å; D235-T239 PolarHBondContact O-N 3.03Å; D235-T239 PolarHBondContact O-OG1 3.34Å
236M81.5Confident86Confident37 Ų3748.9 Ų48.918%0.18224%0.244CC..Hα-helixtrans-62-41.1169.6-167.765.756.300110.9C166 K167 L168 V226 Y230 S234 T239 A240C166-M236 HydrophobicContact CB-CE 4.05Å; C166-M236 HydrophobicContact CB-SD 3.89Å; K167-M236 HydrophobicContact CB-CE 4.27Å; L168-M236 HydrophobicContact CD2-CG 4.11Å; L168-M236 HydrophobicContact CD2-SD 3.75Å; L168-M236 HydrophobicContact CG-SD 3.77Å; V226-M236 HydrophobicContact CG1-CB 4.32Å; V226-M236 HydrophobicContact CG1-CG 3.86Å; Y230-M236 HydrophobicContact CD2-CB 4.15Å; Y230-M236 HydrophobicContact CD2-CG 3.77Å; Y230-M236 HydrophobicContact CE2-CG 3.75Å; Y230-M236 HydrophobicContact CG-CB 4.16Å; Y230-M236 HydrophobicContact CG-CG 4.23Å; S234-M236 PolarHBondContact O-N 3.08Å; S234-M236 PolarHBondContact OG-N 3.17Å; M236-T239 PolarHBondContact O-N 3.04Å; M236-A240 WeakPolarHBondContact O-CB 3.26Å; M236-A240 PolarHBondContact O-N 3.07Å
237T87.4Confident86.1Confident0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-68.6-50.3179-48.80000111.5N227 G231 S234 D235 T239 A240 E241N227-T237 HydrophobicContact CB-CG2 4.19Å; N227-T237 WeakPolarHBondContact ND2-CG2 3.31Å; N227-T237 WeakPolarHBondContact OD1-CG2 3.46Å; G231-T237 WeakPolarHBondContact O-CB 3.25Å; G231-T237 PolarHBondContact O-OG1 3.28Å; S234-T237 WeakPolarHBondContact O-CB 3.46Å; S234-T237 PolarHBondContact O-N 2.82Å; S234-T237 PolarHBondContact OG-N 3.28Å; S234-T237 PolarHBondContact OG-OG1 3.46Å; D235-T237 VanDerWaalsContact C-N 3.3Å; T237-T239 PolarHBondContact O-N 3.17Å; T237-A240 PolarHBondContact O-N 3.08Å; T237-E241 HydrophobicContact CG2-CG 4.38Å; T237-E241 WeakPolarHBondContact CG2-OE1 3.19Å; T237-E241 WeakPolarHBondContact O-CG 3.1Å; T237-E241 PolarHBondContact O-N 3.38Å
238K89.4Confident86.2Confident95 Ų9551.7 Ų51.741%0.41326%0.256SS..Hα-helixtrans-55.9-36.3174.2-61168.9-158.9159.20112.1N233 S234 D235 R242N233-K238 WeakPolarHBondContact O-CE 3.43Å; N233-K238 PolarHBondContact O-NZ 3.08Å; S234-K238 WeakPolarHBondContact O-CG 3.32Å; S234-K238 PolarHBondContact O-N 2.86Å; D235-K238 IonicContact OD1-NZ 3.17Å; D235-K238 PolarHBondContact OD1-NZ 3.21Å; K238-R242 WeakPolarHBondContact O-CB 3.45Å; K238-R242 PolarHBondContact O-N 2.97Å; K238-R242 VanDerWaalsContact O-N 3.08Å
239T88.1Confident86.3Confident40 Ų4054.7 Ų54.725%0.24528%0.281CS..Hα-helixtrans-67.8-47.3175.5-57.70000110.9L168 D235 M236 T237 R242 T243L168-T239 HydrophobicContact CD1-CG2 4.03Å; D235-T239 VanDerWaalsContact O-CB 3.32Å; D235-T239 WeakPolarHBondContact O-CB 3.48Å; D235-T239 PolarHBondContact O-N 3.03Å; D235-T239 PolarHBondContact O-OG1 3.34Å; M236-T239 PolarHBondContact O-N 3.04Å; T237-T239 PolarHBondContact O-N 3.17Å; T239-R242 PolarHBondContact O-N 2.97Å; T239-T243 VanDerWaalsContact O-CB 3.27Å; T239-T243 WeakPolarHBondContact O-CB 3.43Å; T239-T243 PolarHBondContact O-N 2.9Å; T239-T243 PolarHBondContact O-OG1 2.85Å; T239-T243 VanDerWaalsContact O-OG1 3.06Å
240A89.6Confident86.6Confident0 Ų055.8 Ų55.80%029%0.292CS..Hα-helixtrans-63.8-42178.100000112.8L168 V223 V226 M236 T237 T243 F244L168-A240 HydrophobicContact CD1-CB 4.39Å; L168-A240 HydrophobicContact CD2-CB 4.09Å; V223-A240 HydrophobicContact CG2-CB 4.04Å; V223-A240 WeakPolarHBondContact CG2-O 3.44Å; V226-A240 HydrophobicContact CB-CB 4.07Å; V226-A240 HydrophobicContact CG1-CB 3.91Å; V226-A240 HydrophobicContact CG2-CB 4.01Å; M236-A240 WeakPolarHBondContact O-CB 3.26Å; M236-A240 PolarHBondContact O-N 3.07Å; T237-A240 PolarHBondContact O-N 3.08Å; A240-T243 VanDerWaalsContact O-CB 3.27Å; A240-T243 WeakPolarHBondContact O-CB 3.34Å; A240-T243 PolarHBondContact O-N 3.48Å; A240-F244 PolarHBondContact O-N 3.03Å
241E92Very high86.8Confident67 Ų6753.6 Ų53.631%0.31328%0.283SS..Hα-helixtrans-62.1-48.1175.6-71.6167.4172.400111.1V223 N227 T237 T243 F244 E245V223-E241 HydrophobicContact CG1-CG 3.79Å; N227-E241 PolarHBondContact ND2-OE1 3.24Å; T237-E241 HydrophobicContact CG2-CG 4.38Å; T237-E241 WeakPolarHBondContact CG2-OE1 3.19Å; T237-E241 WeakPolarHBondContact O-CG 3.1Å; T237-E241 PolarHBondContact O-N 3.38Å; E241-T243 VanDerWaalsContact C-N 3.29Å; E241-T243 PolarHBondContact O-N 2.98Å; E241-F244 PolarHBondContact O-N 2.9Å; E241-E245 PolarHBondContact O-N 3.05Å
242R89.2Confident87Confident166 Ų16655.8 Ų55.863%0.62630%0.296SS*.Hα-helixtrans-58.5-41.9173.3-173.7-176.8-59.9169.72111.9K238 T239 F244 E245 E246K238-R242 WeakPolarHBondContact O-CB 3.45Å; K238-R242 PolarHBondContact O-N 2.97Å; K238-R242 VanDerWaalsContact O-N 3.08Å; T239-R242 PolarHBondContact O-N 2.97Å; R242-F244 VanDerWaalsContact C-N 3.26Å; R242-F244 PolarHBondContact O-N 3.1Å; R242-E245 PolarHBondContact O-N 2.95Å; R242-E246 WeakPolarHBondContact O-CG 3.35Å; R242-E246 PolarHBondContact O-N 3.45Å
243T87.2Confident86.5Confident3 Ų356.2 Ų56.22%0.01830%0.304CS..Hα-helixtrans-57.2-37.5174.5-790000112.1L159 M222 T239 A240 E241 A247L159-T243 HydrophobicContact CB-CG2 4.14Å; L159-T243 HydrophobicContact CD1-CG2 3.92Å; L159-T243 HydrophobicContact CD2-CG2 3.82Å; L159-T243 WeakPolarHBondContact CD2-O 3.43Å; L159-T243 HydrophobicContact CG-CG2 4.12Å; M222-T243 HydrophobicContact CE-CG2 3.81Å; T239-T243 VanDerWaalsContact O-CB 3.27Å; T239-T243 WeakPolarHBondContact O-CB 3.43Å; T239-T243 PolarHBondContact O-N 2.9Å; T239-T243 PolarHBondContact O-OG1 2.85Å; T239-T243 VanDerWaalsContact O-OG1 3.06Å; A240-T243 VanDerWaalsContact O-CB 3.27Å; A240-T243 WeakPolarHBondContact O-CB 3.34Å; A240-T243 PolarHBondContact O-N 3.48Å; E241-T243 VanDerWaalsContact C-N 3.29Å; E241-T243 PolarHBondContact O-N 2.98Å; T243-A247 WeakPolarHBondContact O-CB 3.14Å; T243-A247 PolarHBondContact O-N 2.82Å; T243-A247 VanDerWaalsContact O-N 3.11Å
244F91.5Very high86Confident32 Ų3252.4 Ų52.414%0.1428%0.279CS..Hα-helixtrans-77.1-37.3176.2-178.6-131.6000113.6L216 V219 E220 V223 A240 E241 R242 A247 K248L216-F244 HydrophobicContact CB-CE2 4.39Å; L216-F244 HydrophobicContact CD2-CE2 4.43Å; L216-F244 WeakPolarHBondContact O-CE2 3.47Å; V219-F244 HydrophobicContact CB-CD2 3.99Å; V219-F244 HydrophobicContact CG1-CB 3.9Å; V219-F244 HydrophobicContact CG1-CD2 3.64Å; V219-F244 HydrophobicContact CG1-CG 4.19Å; E220-F244 HydrophobicContact CB-CE1 4.45Å; E220-F244 HydrophobicContact CB-CE2 4.07Å; E220-F244 HydrophobicContact CB-CZ 3.86Å; E220-F244 HydrophobicContact CG-CE1 4.48Å; E220-F244 HydrophobicContact CG-CZ 4.23Å; V223-F244 HydrophobicContact CG2-CB 3.7Å; V223-F244 HydrophobicContact CG2-CG 4.35Å; A240-F244 PolarHBondContact O-N 3.03Å; E241-F244 PolarHBondContact O-N 2.9Å; R242-F244 VanDerWaalsContact C-N 3.26Å; R242-F244 PolarHBondContact O-N 3.1Å; F244-A247 WeakPolarHBondContact O-CB 3.3Å; F244-A247 PolarHBondContact O-N 2.75Å; F244-K248 HydrophobicContact CD1-CD 4.4Å; F244-K248 HydrophobicContact CD2-CG 4.29Å; F244-K248 HydrophobicContact CE1-CD 3.96Å; F244-K248 HydrophobicContact CE2-CD 4.12Å; F244-K248 HydrophobicContact CE2-CG 4Å; F244-K248 HydrophobicContact CZ-CD 3.82Å; F244-K248 HydrophobicContact CZ-CG 4.22Å; F244-K248 WeakPolarHBondContact O-CG 3.31Å; F244-K248 PolarHBondContact O-N 3.39Å
245E91.4Very high85.3Confident106 Ų10653 Ų5350%0.49528%0.28SS..Hα-helixtrans-62.1-42.7172.2-64.3-49.8140.200111.9E241 R242 A247 K248 A249E241-E245 PolarHBondContact O-N 3.05Å; R242-E245 PolarHBondContact O-N 2.95Å; E245-A247 PolarHBondContact O-N 2.85Å; E245-K248 VanDerWaalsContact CD-CE 3.44Å; E245-K248 PolarHBondContact O-N 2.97Å; E245-K248 WeakPolarHBondContact OE1-CE 3.44Å; E245-K248 IonicContact OE1-NZ 3.25Å; E245-K248 PolarHBondContact OE1-NZ 3.34Å; E245-K248 WeakPolarHBondContact OE2-CE 3.43Å; E245-K248 IonicContact OE2-NZ 3.01Å; E245-K248 PolarHBondContact OE2-NZ 3.18Å; E245-A249 WeakPolarHBondContact O-CB 3.31Å; E245-A249 PolarHBondContact O-N 2.86Å
246E86.5Confident84.5Confident53 Ų5351.8 Ų51.825%0.24828%0.28CS..Hα-helixtrans-62.7-40.8174.3-72.5-176.2-164.600112.3L159 K162 R242 A249 A250L159-E246 HydrophobicContact CD2-CB 3.98Å; K162-E246 WeakPolarHBondContact CD-OE2 3.49Å; K162-E246 IonicContact NZ-OE1 3.23Å; K162-E246 PolarHBondContact NZ-OE1 2.96Å; K162-E246 IonicContact NZ-OE2 3.91Å; K162-E246 PolarHBondContact NZ-OE2 2.9Å; R242-E246 WeakPolarHBondContact O-CG 3.35Å; R242-E246 PolarHBondContact O-N 3.45Å; E246-A249 PolarHBondContact O-N 3.49Å; E246-A250 WeakPolarHBondContact O-CB 3.37Å; E246-A250 PolarHBondContact O-N 2.73Å
247A89.3Confident83.2Confident0 Ų052.6 Ų52.60%030%0.298CS..Hα-helixtrans-59.4-50173.800000111.4T155 L159 F215 L216 V219 T243 F244 E245 A249 A250 T251T155-A247 HydrophobicContact CG2-CB 4.43Å; L159-A247 HydrophobicContact CD1-CB 4.21Å; F215-A247 HydrophobicContact CE1-CB 4.25Å; L216-A247 HydrophobicContact CD2-CB 3.97Å; V219-A247 HydrophobicContact CG1-CB 4.49Å; T243-A247 WeakPolarHBondContact O-CB 3.14Å; T243-A247 PolarHBondContact O-N 2.82Å; T243-A247 VanDerWaalsContact O-N 3.11Å; F244-A247 WeakPolarHBondContact O-CB 3.3Å; F244-A247 PolarHBondContact O-N 2.75Å; E245-A247 PolarHBondContact O-N 2.85Å; A247-A249 VanDerWaalsContact C-N 3.33Å; A247-A249 PolarHBondContact O-N 2.88Å; A247-A250 PolarHBondContact O-N 2.77Å; A247-T251 WeakPolarHBondContact O-CG2 3.42Å; A247-T251 PolarHBondContact O-N 2.97Å; A247-T251 PolarHBondContact O-OG1 3.03Å
248K90.8Very high81.7Confident64 Ų6455.8 Ų55.828%0.27832%0.315SS..Hα-helixtrans-60.6-39.7177.9-73.9-176.8-67.2171.50112.6L216 F244 E245 T251 S252L216-K248 HydrophobicContact CD2-CG 4.07Å; F244-K248 HydrophobicContact CD1-CD 4.4Å; F244-K248 HydrophobicContact CD2-CG 4.29Å; F244-K248 HydrophobicContact CE1-CD 3.96Å; F244-K248 HydrophobicContact CE2-CD 4.12Å; F244-K248 HydrophobicContact CE2-CG 4Å; F244-K248 HydrophobicContact CZ-CD 3.82Å; F244-K248 HydrophobicContact CZ-CG 4.22Å; F244-K248 WeakPolarHBondContact O-CG 3.31Å; F244-K248 PolarHBondContact O-N 3.39Å; E245-K248 VanDerWaalsContact CD-CE 3.44Å; E245-K248 PolarHBondContact O-N 2.97Å; E245-K248 WeakPolarHBondContact OE1-CE 3.44Å; E245-K248 IonicContact OE1-NZ 3.25Å; E245-K248 PolarHBondContact OE1-NZ 3.34Å; E245-K248 WeakPolarHBondContact OE2-CE 3.43Å; E245-K248 IonicContact OE2-NZ 3.01Å; E245-K248 PolarHBondContact OE2-NZ 3.18Å; K248-T251 WeakPolarHBondContact CA-OG1 3.3Å; K248-T251 PolarHBondContact O-OG1 2.82Å; K248-S252 VanDerWaalsContact O-CB 3.27Å; K248-S252 WeakPolarHBondContact O-CB 3.48Å; K248-S252 PolarHBondContact O-N 3.21Å; K248-S252 PolarHBondContact O-OG 2.63Å
249A88.3Confident79.5Confident65 Ų6555.7 Ų55.754%0.53732%0.317SS..Hα-helixtrans-64.8-47.6177.400000111.7E245 E246 A247 T251 S252 A253E245-A249 WeakPolarHBondContact O-CB 3.31Å; E245-A249 PolarHBondContact O-N 2.86Å; E246-A249 PolarHBondContact O-N 3.49Å; A247-A249 VanDerWaalsContact C-N 3.33Å; A247-A249 PolarHBondContact O-N 2.88Å; A249-T251 PolarHBondContact O-N 2.89Å; A249-S252 PolarHBondContact O-N 2.86Å; A249-A253 PolarHBondContact O-N 2.92Å; A249-A253 VanDerWaalsContact O-N 3.14Å
250A83.8Confident77.4Confident34 Ų3461.9 Ų61.928%0.28135%0.347SS..Hα-helixtrans-62.3-40.2178.700000112.7T155 E246 A247T155-A250 HydrophobicContact CG2-CB 3.93Å; T155-A250 WeakPolarHBondContact OG1-CB 3.42Å; E246-A250 WeakPolarHBondContact O-CB 3.37Å; E246-A250 PolarHBondContact O-N 2.73Å; A247-A250 PolarHBondContact O-N 2.77Å
251T83.2Confident75.2Confident3 Ų369.2 Ų69.22%0.01839%0.386CS..Hα-helixtrans-72.2-38.7177.554.50000112.6L152 L212 L216 A247 K248 A249 A253 W254 D255L152-T251 HydrophobicContact CD2-CG2 3.81Å; L212-T251 HydrophobicContact CD1-CG2 3.63Å; L212-T251 HydrophobicContact CD2-CG2 4.39Å; L212-T251 HydrophobicContact CG-CG2 3.92Å; L216-T251 HydrophobicContact CD1-CG2 4.48Å; L216-T251 HydrophobicContact CD2-CG2 4.04Å; L216-T251 HydrophobicContact CG-CG2 4.31Å; A247-T251 WeakPolarHBondContact O-CG2 3.42Å; A247-T251 PolarHBondContact O-N 2.97Å; A247-T251 PolarHBondContact O-OG1 3.03Å; K248-T251 WeakPolarHBondContact CA-OG1 3.3Å; K248-T251 PolarHBondContact O-OG1 2.82Å; A249-T251 PolarHBondContact O-N 2.89Å; T251-A253 VanDerWaalsContact C-N 3.33Å; T251-A253 PolarHBondContact O-N 3.4Å; T251-W254 WeakPolarHBondContact O-CB 3.41Å; T251-W254 PolarHBondContact O-N 3.1Å; T251-W254 VanDerWaalsContact O-N 3.11Å; T251-D255 PolarHBondContact O-N 3.32Å; T251-D255 VanDerWaalsContact O-N 3.15Å
252S83.8Confident73Confident67 Ų6769.2 Ų69.247%0.46938%0.383SS..Hα-helixtrans-65.9-34.3179.3-57.80000112.7K248 A249 W254 S256K248-S252 VanDerWaalsContact O-CB 3.27Å; K248-S252 WeakPolarHBondContact O-CB 3.48Å; K248-S252 PolarHBondContact O-N 3.21Å; K248-S252 PolarHBondContact O-OG 2.63Å; A249-S252 PolarHBondContact O-N 2.86Å; S252-W254 PolarHBondContact O-N 2.81Å; S252-S256 WeakPolarHBondContact O-CB 3.35Å; S252-S256 PolarHBondContact O-N 3.47Å; S252-S256 VanDerWaalsContact O-N 3.11Å; S252-S256 PolarHBondContact O-OG 2.95Å
253A73.8Confident70.5Confident70 Ų7064.9 Ų64.958%0.57939%0.391SS*.Hα-helixtrans-61.8-33.5173.400000112.3A249 T251 G257A249-A253 PolarHBondContact O-N 2.92Å; A249-A253 VanDerWaalsContact O-N 3.14Å; T251-A253 VanDerWaalsContact C-N 3.33Å; T251-A253 PolarHBondContact O-N 3.4Å; A253-G257 PolarHBondContact O-N 3.43Å
254W71.8Confident68.1Low59 Ų5975.5 Ų75.522%0.22343%0.432CS..Hα-helixtrans-78.3-41.6179.2-174.182.1000113.5C143 L151 L212 T251 S252 S256 G257 N258C143-W254 HydrophobicContact CB-CH2 4.3Å; L151-W254 HydrophobicContact CD1-CB 3.66Å; L151-W254 HydrophobicContact CD1-CG 3.67Å; L151-W254 HydrophobicContact CD2-CB 3.75Å; L151-W254 HydrophobicContact CD2-CD2 3.4Å; L151-W254 HydrophobicContact CD2-CE3 3.82Å; L151-W254 HydrophobicContact CD2-CG 3.39Å; L151-W254 HydrophobicContact CG-CB 4.34Å; L151-W254 HydrophobicContact CG-CD2 4.48Å; L151-W254 HydrophobicContact CG-CG 4.08Å; L212-W254 HydrophobicContact CD2-CE3 4.08Å; L212-W254 HydrophobicContact CD2-CZ3 4.47Å; T251-W254 WeakPolarHBondContact O-CB 3.41Å; T251-W254 PolarHBondContact O-N 3.1Å; T251-W254 VanDerWaalsContact O-N 3.11Å; S252-W254 PolarHBondContact O-N 2.81Å; W254-S256 VanDerWaalsContact C-N 3.27Å; W254-S256 PolarHBondContact O-N 3.2Å; W254-G257 PolarHBondContact O-N 2.85Å; W254-N258 VanDerWaalsContact CD2-ND2 3.25Å; W254-N258 WeakPolarHBondContact CZ2-ND2 3.35Å; W254-N258 PolarHBondContact NE1-ND2 3.11Å; W254-N258 PolarHBondContact O-N 3.5Å; W254-N258 VanDerWaalsContact O-N 3.14Å; W254-N258 PolarHBondContact O-ND2 3.22Å
255D70Confident65.6Low40 Ų4078.3 Ų78.321%0.21445%0.448CS..Hα-helixtrans-61.1-39.5173.6-94.5-14.8000111.2T251 G257 N258 M259 R262T251-D255 PolarHBondContact O-N 3.32Å; T251-D255 VanDerWaalsContact O-N 3.15Å; D255-G257 VanDerWaalsContact C-N 3.31Å; D255-G257 PolarHBondContact O-N 3.3Å; D255-N258 CarbonylContact O-C 3.53Å; D255-N258 PolarHBondContact O-N 3.29Å; D255-M259 WeakPolarHBondContact O-CG 3.37Å; D255-M259 PolarHBondContact O-N 2.89Å; D255-R262 IonicContact OD1-CZ 2.64Å; D255-R262 VanDerWaalsContact OD1-CZ 3.25Å; D255-R262 IonicContact OD1-NH1 3.6Å; D255-R262 PolarHBondContact OD1-NH1 3.05Å; D255-R262 IonicContact OD1-NH2 2.63Å; D255-R262 PolarHBondContact OD1-NH2 2.89Å; D255-R262 IonicContact OD2-NH1 2.67Å
256S65.2Low63.1Low87 Ų8780.9 Ų80.961%0.60846%0.458SS*.Hα-helixtrans-60.8-38.1175.5-56.80000112.6S252 W254S252-S256 WeakPolarHBondContact O-CB 3.35Å; S252-S256 PolarHBondContact O-N 3.47Å; S252-S256 VanDerWaalsContact O-N 3.11Å; S252-S256 PolarHBondContact O-OG 2.95Å; W254-S256 VanDerWaalsContact C-N 3.27Å; W254-S256 PolarHBondContact O-N 3.2Å
257G54.4Low60.8Low53 Ų5386 Ų8655%0.54649%0.487SS..Hα-helixtrans-71.1-27.117600000114.5A253 W254 D255A253-G257 PolarHBondContact O-N 3.43Å; W254-G257 PolarHBondContact O-N 2.85Å; D255-G257 VanDerWaalsContact C-N 3.31Å; D255-G257 PolarHBondContact O-N 3.3Å
258N56.5Low58.3Low67 Ų6788.2 Ų88.236%0.35851%0.505SS..Hα-helixtrans-1020.5-179.7-66.3-61.4000114.1W254 D255 I260 D261W254-N258 VanDerWaalsContact CD2-ND2 3.25Å; W254-N258 WeakPolarHBondContact CZ2-ND2 3.35Å; W254-N258 PolarHBondContact NE1-ND2 3.11Å; W254-N258 PolarHBondContact O-N 3.5Å; W254-N258 VanDerWaalsContact O-N 3.14Å; W254-N258 PolarHBondContact O-ND2 3.22Å; D255-N258 CarbonylContact O-C 3.53Å; D255-N258 PolarHBondContact O-N 3.29Å; N258-I260 PolarHBondContact O-N 2.78Å; N258-D261 PolarHBondContact O-N 3.29Å
259M43.1Very low56Low94 Ų9489.5 Ų89.546%0.46352%0.518SS..G310 helixtrans-62.6-12.4-179.6-81.7-123.482.800114.4D255 D261 R262D255-M259 WeakPolarHBondContact O-CG 3.37Å; D255-M259 PolarHBondContact O-N 2.89Å; M259-D261 PolarHBondContact O-N 3.33Å; M259-D261 VanDerWaalsContact O-N 3.12Å; M259-R262 HydrophobicContact CE-CB 3.86Å; M259-R262 PolarHBondContact O-N 3.34Å
260I43.2Very low53.7Low169 Ų16991.1 Ų91.187%0.86753%0.532SS*.G310 helixtrans-57.3-24.5175.3-60.9-178000111.8N258N258-I260 PolarHBondContact O-N 2.78Å
261D43.5Very low51.6Low155 Ų15592.8 Ų92.883%0.82955%0.552SS**G310 helixtrans-106.91.9-177.9-156.331.1000114.8N258 M259N258-D261 PolarHBondContact O-N 3.29Å; M259-D261 PolarHBondContact O-N 3.33Å; M259-D261 VanDerWaalsContact O-N 3.12Å
262R46.3Very low49.7Very low66 Ų6698 Ų9825%0.24958%0.579CS.*  trans-110.430.2-169.9-64.9-165-168.8161.413.5115.8D255 M259 Y264D255-R262 IonicContact OD1-CZ 2.64Å; D255-R262 VanDerWaalsContact OD1-CZ 3.25Å; D255-R262 IonicContact OD1-NH1 3.6Å; D255-R262 PolarHBondContact OD1-NH1 3.05Å; D255-R262 IonicContact OD1-NH2 2.63Å; D255-R262 PolarHBondContact OD1-NH2 2.89Å; D255-R262 IonicContact OD2-NH1 2.67Å; M259-R262 HydrophobicContact CE-CB 3.86Å; M259-R262 PolarHBondContact O-N 3.34Å; R262-Y264 VanDerWaalsContact C-N 3.32Å; R262-Y264 PolarHBondContact O-N 3.17Å
263G36.2Very low47.9Very low76 Ų7698.9 Ų98.978%0.78458%0.577SS**THydrogen-bonded Turntrans-66.7-15.4-171.800000117.7
264Y36.9Very low46.6Very low226 Ų22699.5 Ų99.589%0.88657%0.57SS**THydrogen-bonded Turntrans-101.3-9.5-157.7-131.2-95.9000117.8R262R262-Y264 VanDerWaalsContact C-N 3.32Å; R262-Y264 PolarHBondContact O-N 3.17Å
265L39.6Very low45Very low90 Ų90101.2 Ų101.247%0.47159%0.587SS.*  trans-102.5-1.4-165.4-136.476.6000117.1W139 N267W139-L265 HydrophobicContact CE3-CD2 4.22Å; W139-L265 WeakPolarHBondContact O-CD2 3.46Å; L265-N267 VanDerWaalsContact C-N 3.3Å; L265-N267 PolarHBondContact O-N 3.42Å
266K38.4Very low43.3Very low161 Ų161109.6 Ų109.670%0.762%0.616SS**G310 helixtrans-71-17.7-174.4-74-176.2176.4177.10115T269K266-T269 PolarHBondContact O-OG1 3.4Å
267N37.9Very low41.9Very low160 Ų160114.4 Ų114.486%0.85663%0.626SS**G310 helixtrans-91.5-1.9-168.9-66.2-11.1000115.7L265L265-N267 VanDerWaalsContact C-N 3.3Å; L265-N267 PolarHBondContact O-N 3.42Å
268A38.2Very low40.9Very low47 Ų47123.5 Ų123.539%0.38864%0.643SS.*G310 helixtrans-88.4-0.2-18000000114.5W139 A270W139-A268 HydrophobicContact CH2-CB 3.95Å; W139-A268 HydrophobicContact CZ3-CB 3.86Å; A268-A270 PolarHBondContact O-N 3.43Å
269T41.6Very low39.5Very low90 Ų90129.9 Ų129.955%0.55267%0.668SS**THydrogen-bonded Turntrans-70.2-18.7-159.534.10000116.4K266K266-T269 PolarHBondContact O-OG1 3.4Å
270A41Very low38.9Very low100 Ų100137.1 Ų137.183%0.82669%0.69SS**THydrogen-bonded Turntrans-87.8-22.9-175.900000115.1A268A268-A270 PolarHBondContact O-N 3.43Å
271G39.2Very low38.2Very low68 Ų68132.2 Ų132.270%0.70168%0.681SS**THydrogen-bonded Turntrans-93.6-27.8-163.900000116.9
272L43.7Very low37.5Very low114 Ų114130 Ų13060%0.59768%0.678SS**SBendtrans-104.9-4-166.6-103.6119.6000115.6W139 L274W139-L272 HydrophobicContact CH2-CB 4.35Å; W139-L272 HydrophobicContact CH2-CD1 4.05Å; W139-L272 HydrophobicContact CZ2-CB 3.99Å; L272-L274 PolarHBondContact O-N 3.38Å; L272-L274 VanDerWaalsContact O-N 3.13Å
273M46.1Very low36.7Very low84 Ų84135.9 Ų135.941%0.41471%0.706SS.*SBendtrans-61.3-22.6-175.9-74.1-81.4169.700114.2
274L44.9Very low36.3Very low84 Ų84140.6 Ų140.644%0.4471%0.705SS.*  trans-139.492.5-170-60.5173.2000111.9M127 L272 R276M127-L274 HydrophobicContact CB-CD2 4.23Å; M127-L274 HydrophobicContact CG-CD2 4.06Å; M127-L274 HydrophobicContact SD-CB 4.47Å; L272-L274 PolarHBondContact O-N 3.38Å; L272-L274 VanDerWaalsContact O-N 3.13Å; L274-R276 PolarHBondContact O-N 3.11Å
275T39Very low36Very low95 Ų95140.8 Ų140.858%0.58370%0.704SS**  trans-72.797.9171.648.30000110.7K277T275-K277 PolarHBondContact O-N 3.43Å
276R34.3Very low35.6Very low216 Ų216142.4 Ų142.482%0.81572%0.718SS**  trans-54135.2175.8-113.6179.2176168.9-0.3110.7M127 L274 R278M127-R276 HydrophobicContact CE-CG 4.17Å; L274-R276 PolarHBondContact O-N 3.11Å; R276-R278 PolarHBondContact O-N 3.27Å
277K35.7Very low35.3Very low188 Ų188137.9 Ų137.982%0.81772%0.717SS**  trans-46.4102.7173.6-163.7176-168.4174.10110.3T275 K279T275-K277 PolarHBondContact O-N 3.43Å; K277-K279 PolarHBondContact O-N 3.07Å
278R32.7Very low35.1Very low243 Ų243136.6 Ų136.692%0.91772%0.717SS**  trans-55.8112.1172.5-102.6-177.6171.6168.3-2.4107.3R276 R280R276-R278 PolarHBondContact O-N 3.27Å; R278-R280 PolarHBondContact O-N 2.97Å
279K28.6Very low34.9Very low202 Ų202139.7 Ų139.788%0.87874%0.736SS**  trans-52.3114.9172.2-122.2177.8-179.5177.20106.3K277 G281K277-K279 PolarHBondContact O-N 3.07Å; K279-G281 PolarHBondContact O-N 3.18Å
280R29Very low34.4Very low245 Ų245145 Ų14593%0.92575%0.751SS**  trans-59.7107164.4-85.7-173.3173.1-175.7-2.2105.5R278 S282R278-R280 PolarHBondContact O-N 2.97Å; R280-S282 PolarHBondContact O-N 3.3Å
281G29.5Very low34Very low66 Ų66145.8 Ų145.868%0.6875%0.751SS**  trans-58.5111.1174.800000107.8K279 F283K279-G281 PolarHBondContact O-N 3.18Å; G281-F283 PolarHBondContact O-N 3.4Å
282S28.5Very low33.6Very low108 Ų108145.4 Ų145.476%0.75575%0.747SS**  trans-63.7106.2165.2179.10000106R280 K284R280-S282 PolarHBondContact O-N 3.3Å; S282-K284 PolarHBondContact O-N 3.21Å
283F29.9Very low33Very low190 Ų190147.2 Ų147.283%0.83376%0.763SS**  trans-70.782.3174-128.1-82.4000107.5G281 R285G281-F283 PolarHBondContact O-N 3.4Å; F283-R285 VanDerWaalsContact C-N 3.26Å; F283-R285 HydrophobicContact CD1-CG 4.38Å; F283-R285 PolarHBondContact O-N 3.49Å
284K27.4Very low32.3Very low176 Ų176146.5 Ų146.577%0.76578%0.777SS**  trans-61.592.7164.5-81.5-172.2172.4-174.20107.5S282 T286S282-K284 PolarHBondContact O-N 3.21Å; K284-T286 PolarHBondContact O-N 2.8Å
285R30.2Very low31.7Very low229 Ų229152 Ų15286%0.86480%0.8SS**  trans-75.683.9157.6-79.9-168.8173.6-168.6-1.6108F283 G287F283-R285 VanDerWaalsContact C-N 3.26Å; F283-R285 HydrophobicContact CD1-CG 4.38Å; F283-R285 PolarHBondContact O-N 3.49Å; R285-G287 PolarHBondContact O-N 3.25Å
286T32.6Very low31.5Very low125 Ų125156.3 Ų156.377%0.76781%0.814SS**  trans-64.5107.1154.844.70000107.4K284K284-T286 PolarHBondContact O-N 2.8Å
287G30.7Very low31.7Very low66 Ų66151.2 Ų151.268%0.6881%0.809SS**PPolyproline II helixtrans-81.6158.9170.400000111.4R285R285-G287 PolarHBondContact O-N 3.25Å
288P34.4Very low31.5Very low133 Ų133148.8 Ų148.886%0.86481%0.81SS**PPolyproline II helixtrans-95.3137.8155.712.16.6000110.4
289S33.3Very low31.5Very low111 Ų111141 Ų14178%0.77681%0.805SS**PPolyproline II helixtrans-88161.4180-47.60000113.7
290K32.7Very low31.7Very low202 Ų202137.1 Ų137.188%0.87880%0.803SS**  trans80.3147.1164.7-64.1178.8179.2178.30116.8
291S31.2Very low32.1Very low117 Ų117132.7 Ų132.782%0.81880%0.803SS**  cis-169.9148.8-16.446.50000112.5
292G31.4Very low32.4Very low60 Ų60137.4 Ų137.462%0.61981%0.805SS**  trans146.5104.6170.300000111.1
293T31.3Very low32.5Very low152 Ų152143 Ų14393%0.93381%0.81SS**  72.3125.680.156.80000114.8
294G31.1Very low32.5Very low69 Ų69137.7 Ų137.771%0.71181%0.809SS**  trans117.782.4-179.700000112.4
295E33.3Very low32.7Very low199 Ų199138.4 Ų138.493%0.9381%0.812SS**  85.9112.491.1-77.8-178.4165.100115.4
296Q34Very low32.9Very low186 Ų186136 Ų13687%0.86981%0.81SS**  trans-92.2156.8148.8-92.6-166.8-30.400107
297P39.1Very low33Very low108 Ų108135.4 Ų135.470%0.70181%0.811SS**  -159.3177.256.641.7-18.9000120.2
298T31.1Very low33.2Very low138 Ų138137.2 Ų137.285%0.84782%0.82SS**  trans61.5128.4149.2470000122.4
299G33Very low33.1Very low79 Ų79143.1 Ų143.181%0.81483%0.825SS**  trans-171.494.316200000112.4
300S31.6Very low33.1Very low120 Ų120141.6 Ų141.684%0.83983%0.828SS**  trans-106.8123.8-179.1-64.70000111.9
301V37.6Very low33.2Very low152 Ų152142.2 Ų142.292%0.92183%0.83SS**  trans-132.7151.2164.9-176.90000110.9
302K35.6Very low33.7Very low166 Ų166148.3 Ų148.372%0.72284%0.835SS**  trans-104.2152.4-157.1-84.9170.61781660114.5
303R30.6Very low34.2Very low225 Ų225150.7 Ų150.785%0.84984%0.842SS**  trans66.1126.8141-69.2168.2-170-168.92.1120.2
304G31.3Very low34.3Very low79 Ų79149.4 Ų149.481%0.81484%0.838SS**  trans-147.9138.1147.200000108.1
305F31.6Very low35.1Very low191 Ų191157.8 Ų157.884%0.83885%0.848SS**  trans-120.5162.3-167-134.3-108.5000111.8
306Q34.6Very low36Very low177 Ų177156.6 Ų156.683%0.82787%0.873SS**  trans81.7159.4155.8-99.8160.326.200121.9
307S32.8Very low36.1Very low113 Ų113155.2 Ų155.279%0.7987%0.873SS**  trans-110.3155.5-152.355.60000114.3
308A36.5Very low35.9Very low105 Ų105157.6 Ų157.687%0.86888%0.882SS**  trans-145.4143.7150.600000113.7
309R31.8Very low36.2Very low256 Ų256158.7 Ų158.797%0.96688%0.884SS**  trans-69.3157.4-177.7-65.4164163.3179.2-5.7113.5
310G34Very low36.3Very low80 Ų80163.4 Ų163.483%0.82589%0.888SS**  trans-170.462.8169.700000115.3
311K34.6Very low36.6Very low214 Ų214166.1 Ų166.193%0.9389%0.891SS**  trans-103.4121.9166-81-172.9176.1-177.80110.4
312R40.6Very low36.6Very low246 Ų246167.1 Ų167.193%0.92889%0.889SS**  trans-137.4112.2156.1-74.3-171.4177.4-162.10.1105.7
313S42.9Very low36.7Very low110 Ų110167.1 Ų167.177%0.76990%0.901SS**  89.494.480.4-170.90000110.9
314C33.4Very low37.1Very low125 Ų125162.7 Ų162.785%0.84591%0.905SS**  trans-60.8154.5156.3-56.50000109.5
315R47.8Very low37.6Very low245 Ų245169.7 Ų169.793%0.92591%0.912SS**  trans-121.6158.5158.4-105.8-173.4174.6-164-2.2108.9
316A50.7Low38.2Very low174 Ų174167.7 Ų167.7100%1.43892%0.919SS**  trans-63.10-176.800000113

Retrieved 316 of 316 residues in 206.6 ms (Link to these results)

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