A0A096NLB9_PAPAN Loading...

Zinc finger protein 174

AlphaFold DB , UniProt , Accession A0A096NLB9, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 407 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
1M41.2Very low41.1Very low250 Ų250150.8 Ų150.8100%1.23284%0.843SS**  0110.70-71.1-175.7173.600107.5
2A34.8Very low41.3Very low101 Ų101149.8 Ų149.884%0.83584%0.835SS**  trans-89.9154.6-177.500000111.5
3A37.7Very low41.7Very low91 Ų91145.8 Ų145.875%0.75282%0.817SS**  trans75.7117.7151.300000119.6
4K40.9Very low42Very low199 Ų199144.8 Ų144.887%0.86580%0.802SS**  142.6103.1118.3-82.6178.5174.7177.20111.1
5M38Very low42.1Very low196 Ų196139.1 Ų139.197%0.96678%0.782SS**  trans-154.671.5144.8-79.5-154.315300108.8
6E44.2Very low42.3Very low184 Ų184134.6 Ų134.686%0.8676%0.762SS**  trans-124.9156.1150.2-77.8-156.9144.400107.2
7I46.2Very low43.1Very low164 Ų164128.8 Ų128.884%0.84173%0.732SS**  trans97.392.7-178.1-49.1159.5000113.1
8T42.8Very low44Very low125 Ų125129.9 Ų129.977%0.76773%0.727SS**SBend178.559.6129.731.90000110.9
9L40.8Very low44.7Very low162 Ų162130.2 Ų130.285%0.84872%0.722SS**SBendtrans-133.85.2166.9-78.7172.5000114.3
10S40.9Very low45.2Very low103 Ų103129.5 Ų129.572%0.7271%0.713SS**SBendtrans-99.40.4-174.1-550000115.8
11S45Very low46Very low84 Ų84131.6 Ų131.659%0.58771%0.71SS**SBendtrans-101.4-12.9-173.745.90000115.8
12N43.7Very low47.3Very low139 Ų139124.5 Ų124.574%0.74367%0.674SS**Hα-helixtrans-97-11-177.3-80.6-11.5000114.9
13T46.1Very low48.7Very low98 Ų98124 Ų12460%0.60166%0.656SS**Hα-helixtrans-87.3-30.2179.452.40000112.6S17T13-S17 PolarHBondContact O-N 3.31Å; T13-S17 VanDerWaalsContact O-N 3.17Å
14E46.1Very low49.7Very low131 Ų131124.1 Ų124.161%0.61264%0.643SS**Hα-helixtrans-75.2-34.4178.8-68.7-169.7151.500113.2S17 K18E14-S17 PolarHBondContact O-N 3.07Å; E14-K18 WeakPolarHBondContact O-CG 3.42Å; E14-K18 PolarHBondContact O-N 3.25Å
15A43.7Very low50.6Low60 Ų60116.8 Ų116.850%0.49662%0.62SS.*Hα-helixtrans-68.3-39.9176.700000112K18 Q19A15-K18 PolarHBondContact O-N 3.38Å; A15-Q19 PolarHBondContact O-N 2.84Å
16S45.2Very low51.8Low67 Ų67112.8 Ų112.847%0.46960%0.597SS.*Hα-helixtrans-65.2-40.7173.5-1630000112K18 Q19 E20S16-K18 PolarHBondContact O-N 3.39Å; S16-Q19 PolarHBondContact O-N 3.44Å; S16-E20 PolarHBondContact O-N 2.97Å
17S56.1Low52.2Low35 Ų35109.4 Ų109.425%0.24558%0.584CS.*Hα-helixtrans-66.8-35.6177.8-170.40000113.1T13 E14 R21T13-S17 PolarHBondContact O-N 3.31Å; T13-S17 VanDerWaalsContact O-N 3.17Å; E14-S17 PolarHBondContact O-N 3.07Å; S17-R21 WeakPolarHBondContact O-CB 3.49Å; S17-R21 WeakPolarHBondContact O-CG 3.45Å; S17-R21 PolarHBondContact O-N 2.86Å; S17-R21 PolarHBondContact OG-NE 3.38Å; S17-R21 PolarHBondContact OG-NH2 3.33Å
18K58.9Low52.4Low149 Ų149107.7 Ų107.765%0.64857%0.573SS**Hα-helixtrans-68.9-37.7175.5-76.5177.3-1781740112E14 A15 S16 H22E14-K18 WeakPolarHBondContact O-CG 3.42Å; E14-K18 PolarHBondContact O-N 3.25Å; A15-K18 PolarHBondContact O-N 3.38Å; S16-K18 PolarHBondContact O-N 3.39Å; K18-H22 WeakPolarHBondContact O-CB 3.41Å; K18-H22 PolarHBondContact O-N 3.35Å
19Q56.8Low52.6Low136 Ų136109.3 Ų109.364%0.63657%0.572SS**Hα-helixtrans-71.2-39178-166.6155.1-28.400111.9A15 S16 H22 I23A15-Q19 PolarHBondContact O-N 2.84Å; S16-Q19 PolarHBondContact O-N 3.44Å; Q19-H22 PolarHBondContact O-N 3.46Å; Q19-I23 HydrophobicContact CG-CD1 4.3Å; Q19-I23 WeakPolarHBondContact O-CD1 3.15Å; Q19-I23 VanDerWaalsContact O-CG1 3.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.13Å; Q19-I23 PolarHBondContact O-N 2.91Å
20E54.8Low52.9Low116 Ų116110.4 Ų110.454%0.54257%0.569SS.*Hα-helixtrans-64.1-44172-77.8178.415300112.3S16 H22 I23 I24S16-E20 PolarHBondContact O-N 2.97Å; E20-H22 VanDerWaalsContact C-N 3.3Å; E20-H22 PolarHBondContact O-N 3.4Å; E20-I23 PolarHBondContact O-N 3.5Å; E20-I24 VanDerWaalsContact O-CG1 3.3Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 3.19Å
21R62Low53Low174 Ų174115.5 Ų115.566%0.65757%0.573SS**Hα-helixtrans-62.9-37.1175.2-72176.1-149.4-149.14.8112.2S17 I24 A25S17-R21 WeakPolarHBondContact O-CB 3.49Å; S17-R21 WeakPolarHBondContact O-CG 3.45Å; S17-R21 PolarHBondContact O-N 2.86Å; S17-R21 PolarHBondContact OG-NE 3.38Å; S17-R21 PolarHBondContact OG-NH2 3.33Å; R21-I24 PolarHBondContact O-N 3.36Å; R21-A25 VanDerWaalsContact O-CB 3.24Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 3.18Å
22H67.9Low52.5Low101 Ų101113.5 Ų113.547%0.46857%0.565SS.*Hα-helixtrans-70-33.9176.6-17170.8000112.5K18 Q19 E20 K26K18-H22 WeakPolarHBondContact O-CB 3.41Å; K18-H22 PolarHBondContact O-N 3.35Å; Q19-H22 PolarHBondContact O-N 3.46Å; E20-H22 VanDerWaalsContact C-N 3.3Å; E20-H22 PolarHBondContact O-N 3.4Å; H22-K26 WeakPolarHBondContact NE2-CE 3.48Å; H22-K26 PolarHBondContact NE2-NZ 3.42Å; H22-K26 VanDerWaalsContact O-CB 3.32Å; H22-K26 WeakPolarHBondContact O-CB 3.49Å; H22-K26 WeakPolarHBondContact O-CG 3.24Å; H22-K26 PolarHBondContact O-N 2.89Å
23I65Low52.6Low90 Ų90113.4 Ų113.446%0.46257%0.573SS.*Hα-helixtrans-69.8-43.2173.8-68.7163.7000110.5Q19 E20 K26 L27Q19-I23 HydrophobicContact CG-CD1 4.3Å; Q19-I23 WeakPolarHBondContact O-CD1 3.15Å; Q19-I23 VanDerWaalsContact O-CG1 3.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.13Å; Q19-I23 PolarHBondContact O-N 2.91Å; E20-I23 PolarHBondContact O-N 3.5Å; I23-K26 PolarHBondContact O-N 3.44Å; I23-L27 HydrophobicContact CG2-CD1 3.99Å; I23-L27 HydrophobicContact CG2-CG 4.48Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 3.37Å
24I59.5Low52.1Low94 Ų94114.9 Ų114.948%0.48258%0.582SS.*Hα-helixtrans-62.7-46.5175.3-66.3165.9000110.3E20 R21 K26 L27 E28E20-I24 VanDerWaalsContact O-CG1 3.3Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 3.19Å; R21-I24 PolarHBondContact O-N 3.36Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.15Å; I24-L27 CarbonylContact O-C 3.59Å; I24-L27 WeakPolarHBondContact O-CB 3.4Å; I24-L27 PolarHBondContact O-N 2.78Å; I24-E28 HydrophobicContact CG2-CG 4.47Å; I24-E28 WeakPolarHBondContact O-CG 3.2Å; I24-E28 PolarHBondContact O-N 3.06Å
25A59.3Low51.6Low45 Ų45114.7 Ų114.737%0.37258%0.584SS.*Hα-helixtrans-61.1-39.517600000112.4R21 L27 E28 E29R21-A25 VanDerWaalsContact O-CB 3.24Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 3.18Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 2.87Å; A25-E28 PolarHBondContact O-N 2.86Å; A25-E29 VanDerWaalsContact O-CB 3.31Å; A25-E29 WeakPolarHBondContact O-CB 3.5Å; A25-E29 PolarHBondContact O-N 3.32Å
26K62Low51.4Low111 Ų111121.4 Ų121.448%0.48361%0.605SS.*Hα-helixtrans-70-26.4173.8-86.1-179.4165.7163.40113.8H22 I23 I24 K30H22-K26 WeakPolarHBondContact NE2-CE 3.48Å; H22-K26 PolarHBondContact NE2-NZ 3.42Å; H22-K26 VanDerWaalsContact O-CB 3.32Å; H22-K26 WeakPolarHBondContact O-CB 3.49Å; H22-K26 WeakPolarHBondContact O-CG 3.24Å; H22-K26 PolarHBondContact O-N 2.89Å; I23-K26 PolarHBondContact O-N 3.44Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.15Å; K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.41Å
27L52.7Low51.3Low113 Ų113126 Ų12659%0.59262%0.617SS**Hα-helixtrans-77.3-32172.5-71.9169000111.4I23 I24 A25I23-L27 HydrophobicContact CG2-CD1 3.99Å; I23-L27 HydrophobicContact CG2-CG 4.48Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 3.37Å; I24-L27 CarbonylContact O-C 3.59Å; I24-L27 WeakPolarHBondContact O-CB 3.4Å; I24-L27 PolarHBondContact O-N 2.78Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 2.87Å
28E51.5Low50.6Low128 Ų128131.3 Ų131.360%0.59864%0.642SS**Hα-helixtrans-75.8-36.6174-71.1178.6153.500112.4I24 A25 K30 R31I24-E28 HydrophobicContact CG2-CG 4.47Å; I24-E28 WeakPolarHBondContact O-CG 3.2Å; I24-E28 PolarHBondContact O-N 3.06Å; A25-E28 PolarHBondContact O-N 2.86Å; E28-K30 VanDerWaalsContact C-N 3.32Å; E28-K30 PolarHBondContact O-N 2.95Å; E28-R31 WeakPolarHBondContact O-CB 3.37Å; E28-R31 PolarHBondContact O-N 3.31Å
29E47.6Very low49.9Very low160 Ų160129.9 Ų129.975%0.74865%0.649SS**Hα-helixtrans-70.9-27.4176.6-164.6-179.1168.700112.4A25 R31A25-E29 VanDerWaalsContact O-CB 3.31Å; A25-E29 WeakPolarHBondContact O-CB 3.5Å; A25-E29 PolarHBondContact O-N 3.32Å; E29-R31 PolarHBondContact O-N 2.99Å
30K46.8Very low49.8Very low184 Ų184125.5 Ų125.580%0.863%0.633SS**THydrogen-bonded Turntrans-74.4-9.2169.1-77.7-175.1177.6-175.40113.6K26 E28 G32K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.41Å; E28-K30 VanDerWaalsContact C-N 3.32Å; E28-K30 PolarHBondContact O-N 2.95Å; K30-G32 PolarHBondContact O-N 2.79Å
31R43.2Very low50.6Low211 Ų211124.7 Ų124.780%0.79663%0.632SS**  trans-85.764.4163.7-80.3-178.9171.1177.7-2.1109.8E28 E29E28-R31 WeakPolarHBondContact O-CB 3.37Å; E28-R31 PolarHBondContact O-N 3.31Å; E29-R31 PolarHBondContact O-N 2.99Å
32G33.9Very low51.1Low41 Ų41119 Ų11942%0.42362%0.618SS.*  trans-67.3157.4163.600000112K30 T34K30-G32 PolarHBondContact O-N 2.79Å; G32-T34 PolarHBondContact O-N 3.45Å; G32-T34 VanDerWaalsContact O-N 3.08Å; G32-T34 PolarHBondContact O-OG1 3.21Å
33P45.5Very low51.3Low138 Ų138115.8 Ų115.890%0.89660%0.603SS**  trans-78.1101-149.932.2-34000111.2
34T34.5Very low51.9Low129 Ų129115.8 Ų115.879%0.79160%0.604SS**  trans-120.4101.2170.722.40000110G32G32-T34 PolarHBondContact O-N 3.45Å; G32-T34 VanDerWaalsContact O-N 3.08Å; G32-T34 PolarHBondContact O-OG1 3.21Å
35L35.7Very low52.9Low126 Ų126111.3 Ų111.366%0.6658%0.581SS**  trans68.771.5156.3-57.9169.7000115.7K37L35-K37 HydrophobicContact CB-CB 4.47Å; L35-K37 HydrophobicContact CD2-CB 4.43Å; L35-K37 HydrophobicContact CD2-CD 3.74Å; L35-K37 HydrophobicContact CD2-CG 3.83Å; L35-K37 PolarHBondContact O-N 2.89Å
36Q40.9Very low54Low202 Ų202110.1 Ų110.194%0.94457%0.567SS**  trans-60.576.3132.4-169.4170.94.700108.4
37K43.3Very low54.8Low164 Ų164107.6 Ų107.671%0.71356%0.557SS**  trans-120.493.7163.6-82.3-166.1-173.7173.90107.1L35L35-K37 HydrophobicContact CB-CB 4.47Å; L35-K37 HydrophobicContact CD2-CB 4.43Å; L35-K37 HydrophobicContact CD2-CD 3.74Å; L35-K37 HydrophobicContact CD2-CG 3.83Å; L35-K37 PolarHBondContact O-N 2.89Å
38N41.7Very low56.2Low146 Ų146104.5 Ų104.578%0.78155%0.545SS*.  trans51.381.4168.1-59.1-18.9000113.8P40N38-P40 WeakPolarHBondContact O-CD 3.33Å; N38-P40 VanDerWaalsContact O-N 3.11Å
39C42.8Very low57.8Low118 Ų118101.1 Ų101.180%0.79753%0.528SS*.  trans-62.1110.4154.5-87.10000106.6D41C39-D41 PolarHBondContact O-N 2.97Å
40P55.3Low59.2Low45 Ų4598.4 Ų98.429%0.29251%0.511SS..  trans-65.8134.9168.52.715.5000105.6N38 L44 C45N38-P40 WeakPolarHBondContact O-CD 3.33Å; N38-P40 VanDerWaalsContact O-N 3.11Å; P40-L44 HydrophobicContact CB-CD2 4.18Å; P40-C45 VanDerWaalsContact CB-SG 3.5Å; P40-C45 WeakPolarHBondContact CG-SG 3.46Å; P40-C45 PolarHBondContact O-SG 3.31Å; P40-C45 VanDerWaalsContact O-SG 3.38Å
41D71.7Confident60.8Low98 Ų9897.4 Ų97.452%0.52450%0.502SS..  trans-35.3126.5170.7171.210.9000109.8C39 E43 L44 C45C39-D41 PolarHBondContact O-N 2.97Å; D41-E43 PolarHBondContact O-N 3.45Å; D41-E43 WeakPolarHBondContact OD1-CB 3.47Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.13Å; D41-L44 HydrophobicContact CB-CB 3.95Å; D41-L44 CarbonylContact O-C 3.59Å; D41-L44 WeakPolarHBondContact O-CA 3.37Å; D41-L44 VanDerWaalsContact O-CB 3.31Å; D41-L44 WeakPolarHBondContact O-CB 3.38Å; D41-L44 PolarHBondContact O-N 3.4Å; D41-C45 PolarHBondContact O-N 3.2Å
42P71.1Confident62.8Low56 Ų5689.5 Ų89.536%0.36447%0.473SS..Hα-helixtrans-50.7-30.4-179.2-28.634.8000112.8C45 R46P42-C45 PolarHBondContact O-N 2.84Å; P42-R46 WeakPolarHBondContact O-CB 3.35Å; P42-R46 PolarHBondContact O-N 3.04Å
43E72.4Confident65Low33 Ų3389.4 Ų89.415%0.15447%0.466CS..Hα-helixtrans-70.4-39.7173.9179.853.3-149.300112.6D41 R46 Q47D41-E43 PolarHBondContact O-N 3.45Å; D41-E43 WeakPolarHBondContact OD1-CB 3.47Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.13Å; E43-R46 VanDerWaalsContact CD-NH2 3.31Å; E43-R46 WeakPolarHBondContact O-CB 3.5Å; E43-R46 PolarHBondContact O-N 3.07Å; E43-R46 IonicContact OE1-CZ 3.61Å; E43-R46 IonicContact OE1-NE 2.81Å; E43-R46 PolarHBondContact OE1-NE 3.38Å; E43-R46 IonicContact OE1-NH2 3.08Å; E43-R46 PolarHBondContact OE1-NH2 3.37Å; E43-R46 IonicContact OE2-CZ 3Å; E43-R46 VanDerWaalsContact OE2-CZ 3.32Å; E43-R46 IonicContact OE2-NE 2.64Å; E43-R46 PolarHBondContact OE2-NE 3.38Å; E43-R46 IonicContact OE2-NH2 3.71Å; E43-R46 PolarHBondContact OE2-NH2 2.96Å; E43-R46 VanDerWaalsContact OE2-NH2 3.12Å; E43-Q47 WeakPolarHBondContact O-CB 3.48Å; E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.3Å; E43-Q47 PolarHBondContact O-N 3.46Å; E43-Q47 PolarHBondContact OE1-NE2 3.17Å
44L78.6Confident66.5Low89 Ų8989.4 Ų89.447%0.46645%0.449SS..Hα-helixtrans-65.5-39.3172.5-175.764000111.6P40 D41 Q47 S48P40-L44 HydrophobicContact CB-CD2 4.18Å; D41-L44 HydrophobicContact CB-CB 3.95Å; D41-L44 CarbonylContact O-C 3.59Å; D41-L44 WeakPolarHBondContact O-CA 3.37Å; D41-L44 VanDerWaalsContact O-CB 3.31Å; D41-L44 WeakPolarHBondContact O-CB 3.38Å; D41-L44 PolarHBondContact O-N 3.4Å; L44-Q47 PolarHBondContact O-N 3.34Å; L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 2.9Å; L44-S48 PolarHBondContact O-OG 3.05Å
45C79.4Confident68.3Low1 Ų191.8 Ų91.81%0.00745%0.451CS..Hα-helixtrans-62-46.1173.4-66.50000111.3P40 D41 P42 Q47 S48 F49 Q73 W74P40-C45 VanDerWaalsContact CB-SG 3.5Å; P40-C45 WeakPolarHBondContact CG-SG 3.46Å; P40-C45 PolarHBondContact O-SG 3.31Å; P40-C45 VanDerWaalsContact O-SG 3.38Å; D41-C45 PolarHBondContact O-N 3.2Å; P42-C45 PolarHBondContact O-N 2.84Å; C45-Q47 VanDerWaalsContact C-N 3.34Å; C45-Q47 PolarHBondContact O-N 3.2Å; C45-S48 PolarHBondContact O-N 3.33Å; C45-F49 WeakPolarHBondContact O-CB 3.25Å; C45-F49 PolarHBondContact O-N 3.45Å; C45-Q73 HydrophobicContact CB-CB 4.25Å; C45-W74 HydrophobicContact CB-CB 4.07Å
46R83.1Confident69.7Low20 Ų2093.3 Ų93.38%0.07546%0.455CS..Hα-helixtrans-58-45.6175.1-171.5179.477.799.4-3.6112P42 E43 F49 R50 W74P42-R46 WeakPolarHBondContact O-CB 3.35Å; P42-R46 PolarHBondContact O-N 3.04Å; E43-R46 VanDerWaalsContact CD-NH2 3.31Å; E43-R46 WeakPolarHBondContact O-CB 3.5Å; E43-R46 PolarHBondContact O-N 3.07Å; E43-R46 IonicContact OE1-CZ 3.61Å; E43-R46 IonicContact OE1-NE 2.81Å; E43-R46 PolarHBondContact OE1-NE 3.38Å; E43-R46 IonicContact OE1-NH2 3.08Å; E43-R46 PolarHBondContact OE1-NH2 3.37Å; E43-R46 IonicContact OE2-CZ 3Å; E43-R46 VanDerWaalsContact OE2-CZ 3.32Å; E43-R46 IonicContact OE2-NE 2.64Å; E43-R46 PolarHBondContact OE2-NE 3.38Å; E43-R46 IonicContact OE2-NH2 3.71Å; E43-R46 PolarHBondContact OE2-NH2 2.96Å; E43-R46 VanDerWaalsContact OE2-NH2 3.12Å; R46-F49 PolarHBondContact O-N 3.32Å; R46-R50 WeakPolarHBondContact O-CB 3.22Å; R46-R50 PolarHBondContact O-N 2.9Å; R46-W74 HydrophobicContact CB-CD2 4.11Å; R46-W74 HydrophobicContact CB-CG 3.85Å; R46-W74 HydrophobicContact CG-CD2 3.94Å; R46-W74 VanDerWaalsContact CG-CE2 3.5Å; R46-W74 HydrophobicContact CG-CG 4.22Å; R46-W74 HydrophobicContact CG-CZ2 3.87Å
47Q78.3Confident71.7Confident58 Ų5884.4 Ų84.427%0.27141%0.414SS..Hα-helixtrans-66.7-37.5178.2-75.5-17639.300112.6E43 L44 C45 R50 R51E43-Q47 WeakPolarHBondContact O-CB 3.48Å; E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.3Å; E43-Q47 PolarHBondContact O-N 3.46Å; E43-Q47 PolarHBondContact OE1-NE2 3.17Å; L44-Q47 PolarHBondContact O-N 3.34Å; C45-Q47 VanDerWaalsContact C-N 3.34Å; C45-Q47 PolarHBondContact O-N 3.2Å; Q47-R50 PolarHBondContact O-N 3.42Å; Q47-R51 WeakPolarHBondContact O-CB 3.12Å; Q47-R51 WeakPolarHBondContact O-CG 3.47Å; Q47-R51 PolarHBondContact O-N 3.46Å
48S82.2Confident73.3Confident48 Ų4883 Ų8334%0.33643%0.425SS..Hα-helixtrans-67.7-42.4176.2-58.20000111L44 C45 R50 R51 F52L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 2.9Å; L44-S48 PolarHBondContact O-OG 3.05Å; C45-S48 PolarHBondContact O-N 3.33Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-N 3.21Å; S48-R51 CarbonylContact O-C 3.58Å; S48-R51 PolarHBondContact O-N 3.39Å; S48-F52 PolarHBondContact O-N 2.86Å
49F84.8Confident75.4Confident57 Ų5776.8 Ų76.825%0.2540%0.396CS..Hα-helixtrans-58.1-44.8172.2-178.1-99.7000111.6C45 R46 R51 F52 L67 L70 C71 W74C45-F49 WeakPolarHBondContact O-CB 3.25Å; C45-F49 PolarHBondContact O-N 3.45Å; R46-F49 PolarHBondContact O-N 3.32Å; F49-R51 VanDerWaalsContact C-N 3.33Å; F49-R51 PolarHBondContact O-N 3.33Å; F49-F52 WeakPolarHBondContact O-CB 3.44Å; F49-F52 PolarHBondContact O-N 3.3Å; F49-L67 HydrophobicContact CD2-CD2 3.81Å; F49-L67 HydrophobicContact CE2-CB 4.35Å; F49-L67 HydrophobicContact CE2-CD2 3.58Å; F49-L67 HydrophobicContact CZ-CD2 4.47Å; F49-L70 HydrophobicContact CB-CB 4.23Å; F49-L70 HydrophobicContact CD2-CB 4.1Å; F49-C71 WeakPolarHBondContact CE2-SG 3.31Å; F49-C71 VanDerWaalsContact CZ-SG 3.53Å; F49-W74 HydrophobicContact CD1-CE3 4.18Å; F49-W74 HydrophobicContact CD1-CZ3 4.05Å; F49-W74 HydrophobicContact CE1-CZ3 4.24Å; F49-W74 HydrophobicContact CG-CE3 4.47Å
50R78.3Confident77.3Confident102 Ų10275 Ų7539%0.38538%0.382SS..Hα-helixtrans-64.9-34178.1-177.3179.4174178.75.5113.4R46 Q47 S48R46-R50 WeakPolarHBondContact O-CB 3.22Å; R46-R50 PolarHBondContact O-N 2.9Å; Q47-R50 PolarHBondContact O-N 3.42Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-N 3.21Å
51R80.9Confident78.8Confident164 Ų16479.7 Ų79.762%0.61940%0.401SS*.Hα-helixtrans-95.31.2-176.9-69.2-177178.2114.8-3.9113.4Q47 S48 F49 C53Q47-R51 WeakPolarHBondContact O-CB 3.12Å; Q47-R51 WeakPolarHBondContact O-CG 3.47Å; Q47-R51 PolarHBondContact O-N 3.46Å; S48-R51 CarbonylContact O-C 3.58Å; S48-R51 PolarHBondContact O-N 3.39Å; F49-R51 VanDerWaalsContact C-N 3.33Å; F49-R51 PolarHBondContact O-N 3.33Å; R51-C53 PolarHBondContact O-N 3.46Å
52F85Confident79.4Confident44 Ų4479.2 Ų79.219%0.19340%0.395CS..  trans-54.1123.9-177.5-178.1-92.7000111.3S48 F49 V57 A63 Q66 L67 L70S48-F52 PolarHBondContact O-N 2.86Å; F49-F52 WeakPolarHBondContact O-CB 3.44Å; F49-F52 PolarHBondContact O-N 3.3Å; F52-V57 HydrophobicContact CE2-CG1 4.19Å; F52-V57 HydrophobicContact CZ-CG1 3.83Å; F52-V57 HydrophobicContact CZ-CG2 4.08Å; F52-A63 HydrophobicContact CE1-CB 4.27Å; F52-A63 HydrophobicContact CZ-CB 4.18Å; F52-Q66 HydrophobicContact CE2-CB 3.95Å; F52-Q66 HydrophobicContact CZ-CB 4.47Å; F52-L67 HydrophobicContact CB-CD2 3.8Å; F52-L67 HydrophobicContact CD1-CD1 3.97Å; F52-L67 HydrophobicContact CD1-CD2 3.53Å; F52-L67 HydrophobicContact CD1-CG 3.74Å; F52-L67 HydrophobicContact CD2-CD2 4.12Å; F52-L67 HydrophobicContact CD2-CG 4.37Å; F52-L67 HydrophobicContact CE1-CD1 3.9Å; F52-L67 HydrophobicContact CE1-CD2 4.14Å; F52-L67 HydrophobicContact CE1-CG 3.81Å; F52-L67 HydrophobicContact CE2-CG 4.43Å; F52-L67 HydrophobicContact CG-CD2 3.52Å; F52-L67 HydrophobicContact CG-CG 4.04Å; F52-L67 HydrophobicContact CZ-CG 4.17Å; F52-L70 HydrophobicContact CD2-CD1 4.18Å
53C78.8Confident80.1Confident40 Ų4076.8 Ų76.827%0.2738%0.38SS..  trans-115.3126.5-177.7-169.60000110.4R51 Q55 E56R51-C53 PolarHBondContact O-N 3.46Å; C53-Q55 PolarHBondContact O-N 3Å; C53-E56 HydrophobicContact CB-CG 4.49Å; C53-E56 PolarHBondContact O-N 3.34Å; C53-E56 VanDerWaalsContact O-N 3.14Å
54Y77.2Confident80.8Confident137 Ų13779.5 Ų79.554%0.53740%0.395SS..G310 helixtrans-61.8-16.8178.5-164.8-90.4000113.2E56 V57 P60 A63Y54-E56 PolarHBondContact O-N 3.05Å; Y54-V57 HydrophobicContact CD2-CG2 4.18Å; Y54-V57 HydrophobicContact CG-CG2 4.28Å; Y54-V57 WeakPolarHBondContact O-CG2 3.49Å; Y54-V57 PolarHBondContact O-N 3.33Å; Y54-P60 WeakPolarHBondContact OH-CA 2.91Å; Y54-P60 WeakPolarHBondContact OH-CB 3.28Å; Y54-P60 WeakPolarHBondContact OH-CD 3.39Å; Y54-A63 HydrophobicContact CD2-CB 3.87Å; Y54-A63 HydrophobicContact CE2-CB 3.69Å
55Q71.8Confident81.2Confident180 Ų18078.3 Ų78.384%0.84139%0.394SS*.G310 helixtrans-69-18.4178.6-64169.43.700112.9C53C53-Q55 PolarHBondContact O-N 3Å
56E67.1Low81.5Confident157 Ų15781.6 Ų81.673%0.73441%0.409SS*.G310 helixtrans-92.6-1.1-176.8-62.3178.9174.800113.2C53 Y54C53-E56 HydrophobicContact CB-CG 4.49Å; C53-E56 PolarHBondContact O-N 3.34Å; C53-E56 VanDerWaalsContact O-N 3.14Å; Y54-E56 PolarHBondContact O-N 3.05Å
57V81.2Confident81.7Confident15 Ų1582.9 Ų82.99%0.09142%0.417CS..SBendtrans-121.7134.7-174.1-75.10000112.6F52 Y54 G59 E62 A63 Q66F52-V57 HydrophobicContact CE2-CG1 4.19Å; F52-V57 HydrophobicContact CZ-CG1 3.83Å; F52-V57 HydrophobicContact CZ-CG2 4.08Å; Y54-V57 HydrophobicContact CD2-CG2 4.18Å; Y54-V57 HydrophobicContact CG-CG2 4.28Å; Y54-V57 WeakPolarHBondContact O-CG2 3.49Å; Y54-V57 PolarHBondContact O-N 3.33Å; V57-G59 PolarHBondContact O-N 3.13Å; V57-G59 VanDerWaalsContact O-N 3.12Å; V57-E62 HydrophobicContact CB-CG 4.48Å; V57-E62 HydrophobicContact CG1-CG 4.33Å; V57-A63 HydrophobicContact CB-CB 4.42Å; V57-A63 HydrophobicContact CG2-CB 3.71Å; V57-Q66 VanDerWaalsContact CG1-OE1 3.23Å
58S77.9Confident82.1Confident134 Ų13488.8 Ų88.894%0.93744%0.437SS*.SBendtrans-69.3-8-175.4-49.90000114.4
59G85.1Confident82.4Confident16 Ų1691.2 Ų91.217%0.16544%0.443CS..SBendtrans179.2172.517900000115.6V57 Q61 E62 A63V57-G59 PolarHBondContact O-N 3.13Å; V57-G59 VanDerWaalsContact O-N 3.12Å; G59-Q61 PolarHBondContact O-N 3.4Å; G59-E62 PolarHBondContact O-N 3.24Å; G59-A63 PolarHBondContact O-N 2.68Å
60P83.9Confident82.5Confident80 Ų8090 Ų9052%0.51944%0.439SS..Hα-helixtrans-69.6-32.6-171.925.4-33.6000113.9Y54 L64Y54-P60 WeakPolarHBondContact OH-CA 2.91Å; Y54-P60 WeakPolarHBondContact OH-CB 3.28Å; Y54-P60 WeakPolarHBondContact OH-CD 3.39Å; P60-L64 WeakPolarHBondContact O-CG 3.34Å; P60-L64 PolarHBondContact O-N 3.19Å
61Q85.3Confident82.9Confident144 Ų14486.9 Ų86.967%0.67343%0.433SS*.Hα-helixtrans-68.7-43.5175.8-75.2-66.7-37.700111.1G59 A63 L64 S65G59-Q61 PolarHBondContact O-N 3.4Å; Q61-A63 VanDerWaalsContact C-N 3.34Å; Q61-A63 PolarHBondContact O-N 2.71Å; Q61-L64 PolarHBondContact O-N 3.33Å; Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3.18Å; Q61-S65 VanDerWaalsContact O-OG 3.13Å
62E84.8Confident83.2Confident89 Ų8986.8 Ų86.842%0.41643%0.432SS..Hα-helixtrans-63.3-42.1176.8-17357.2-153.400111.1V57 G59 L64 S65 Q66V57-E62 HydrophobicContact CB-CG 4.48Å; V57-E62 HydrophobicContact CG1-CG 4.33Å; G59-E62 PolarHBondContact O-N 3.24Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.43Å; E62-S65 PolarHBondContact O-N 3.07Å; E62-Q66 WeakPolarHBondContact O-CG 3.42Å; E62-Q66 PolarHBondContact O-N 2.68Å; E62-Q66 PolarHBondContact OE1-NE2 3.08Å
63A85.2Confident83.3Confident4 Ų487.6 Ų87.63%0.03344%0.437CS..Hα-helixtrans-55.7-46.9174.300000112.4F52 Y54 V57 G59 Q61 L67F52-A63 HydrophobicContact CE1-CB 4.27Å; F52-A63 HydrophobicContact CZ-CB 4.18Å; Y54-A63 HydrophobicContact CD2-CB 3.87Å; Y54-A63 HydrophobicContact CE2-CB 3.69Å; V57-A63 HydrophobicContact CB-CB 4.42Å; V57-A63 HydrophobicContact CG2-CB 3.71Å; G59-A63 PolarHBondContact O-N 2.68Å; Q61-A63 VanDerWaalsContact C-N 3.34Å; Q61-A63 PolarHBondContact O-N 2.71Å; A63-L67 WeakPolarHBondContact O-CB 3.23Å; A63-L67 VanDerWaalsContact O-CG 3.29Å; A63-L67 WeakPolarHBondContact O-CG 3.4Å; A63-L67 PolarHBondContact O-N 3.06Å
64L87.1Confident83.6Confident91 Ų9186.2 Ų86.248%0.47643%0.426SS..Hα-helixtrans-68-39178.8-71.5174.2000112.3P60 Q61 E62 R68P60-L64 WeakPolarHBondContact O-CG 3.34Å; P60-L64 PolarHBondContact O-N 3.19Å; Q61-L64 PolarHBondContact O-N 3.33Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.43Å; L64-R68 VanDerWaalsContact O-CB 3.31Å; L64-R68 WeakPolarHBondContact O-CB 3.49Å; L64-R68 WeakPolarHBondContact O-CG 3.48Å; L64-R68 PolarHBondContact O-N 2.8Å
65S87.4Confident84Confident64 Ų6480.8 Ų80.845%0.44841%0.406SS..Hα-helixtrans-62.7-45.7176.7-67.20000111.7Q61 E62 R68 Q69Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3.18Å; Q61-S65 VanDerWaalsContact O-OG 3.13Å; E62-S65 PolarHBondContact O-N 3.07Å; S65-R68 PolarHBondContact O-N 2.88Å; S65-Q69 PolarHBondContact O-N 2.85Å
66Q85.9Confident84.7Confident70 Ų7074.6 Ų74.633%0.32738%0.377SS..Hα-helixtrans-66.9-44177.9-69-17515.400112.3F52 V57 E62 R68 Q69 L70F52-Q66 HydrophobicContact CE2-CB 3.95Å; F52-Q66 HydrophobicContact CZ-CB 4.47Å; V57-Q66 VanDerWaalsContact CG1-OE1 3.23Å; E62-Q66 WeakPolarHBondContact O-CG 3.42Å; E62-Q66 PolarHBondContact O-N 2.68Å; E62-Q66 PolarHBondContact OE1-NE2 3.08Å; Q66-R68 VanDerWaalsContact C-N 3.32Å; Q66-R68 PolarHBondContact O-N 2.93Å; Q66-Q69 PolarHBondContact O-N 3.19Å; Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 2.99Å
67L87.4Confident85.5Confident46 Ų4670 Ų7024%0.24136%0.361CS..Hα-helixtrans-60.2-42174.6-77.8169.5000111.8F49 F52 A63 Q69 L70 C71F49-L67 HydrophobicContact CD2-CD2 3.81Å; F49-L67 HydrophobicContact CE2-CB 4.35Å; F49-L67 HydrophobicContact CE2-CD2 3.58Å; F49-L67 HydrophobicContact CZ-CD2 4.47Å; F52-L67 HydrophobicContact CB-CD2 3.8Å; F52-L67 HydrophobicContact CD1-CD1 3.97Å; F52-L67 HydrophobicContact CD1-CD2 3.53Å; F52-L67 HydrophobicContact CD1-CG 3.74Å; F52-L67 HydrophobicContact CD2-CD2 4.12Å; F52-L67 HydrophobicContact CD2-CG 4.37Å; F52-L67 HydrophobicContact CE1-CD1 3.9Å; F52-L67 HydrophobicContact CE1-CD2 4.14Å; F52-L67 HydrophobicContact CE1-CG 3.81Å; F52-L67 HydrophobicContact CE2-CG 4.43Å; F52-L67 HydrophobicContact CG-CD2 3.52Å; F52-L67 HydrophobicContact CG-CG 4.04Å; F52-L67 HydrophobicContact CZ-CG 4.17Å; A63-L67 WeakPolarHBondContact O-CB 3.23Å; A63-L67 VanDerWaalsContact O-CG 3.29Å; A63-L67 WeakPolarHBondContact O-CG 3.4Å; A63-L67 PolarHBondContact O-N 3.06Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 3.21Å; L67-C71 WeakPolarHBondContact O-CB 3.43Å; L67-C71 PolarHBondContact O-N 3.05Å; L67-C71 PolarHBondContact O-SG 3.25Å; L67-C71 VanDerWaalsContact O-SG 3.34Å
68R87.4Confident85.7Confident182 Ų18275.5 Ų75.569%0.68739%0.385SS*.Hα-helixtrans-62.3-40.6175.6-80.1173.9174.2-164.8-1112L64 S65 Q66 C71 R72L64-R68 VanDerWaalsContact O-CB 3.31Å; L64-R68 WeakPolarHBondContact O-CB 3.49Å; L64-R68 WeakPolarHBondContact O-CG 3.48Å; L64-R68 PolarHBondContact O-N 2.8Å; S65-R68 PolarHBondContact O-N 2.88Å; Q66-R68 VanDerWaalsContact C-N 3.32Å; Q66-R68 PolarHBondContact O-N 2.93Å; R68-C71 PolarHBondContact O-N 3.15Å; R68-R72 WeakPolarHBondContact O-CG 3.46Å; R68-R72 PolarHBondContact O-N 2.92Å
69Q88.4Confident85.7Confident99 Ų9975.1 Ų75.146%0.46337%0.372SS..Hα-helixtrans-65.4-46.9178-175.162.113.300111.4S65 Q66 L67 C71 R72 Q73S65-Q69 PolarHBondContact O-N 2.85Å; Q66-Q69 PolarHBondContact O-N 3.19Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.32Å; Q69-C71 VanDerWaalsContact C-N 3.34Å; Q69-C71 PolarHBondContact O-N 3.21Å; Q69-R72 PolarHBondContact O-N 3.45Å; Q69-Q73 WeakPolarHBondContact O-CG 3.38Å; Q69-Q73 PolarHBondContact O-N 3.1Å
70L86.9Confident85.7Confident32 Ų3277.3 Ų77.317%0.16838%0.378CS..Hα-helixtrans-61.6-40.6175.4-70.3173000111.9F49 F52 Q66 L67 Q73 W74F49-L70 HydrophobicContact CB-CB 4.23Å; F49-L70 HydrophobicContact CD2-CB 4.1Å; F52-L70 HydrophobicContact CD2-CD1 4.18Å; Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 2.99Å; L67-L70 PolarHBondContact O-N 3.21Å; L70-Q73 PolarHBondContact O-N 3.06Å; L70-W74 VanDerWaalsContact O-CB 3.3Å; L70-W74 WeakPolarHBondContact O-CB 3.24Å; L70-W74 PolarHBondContact O-N 3.49Å
71C87.1Confident85.9Confident37 Ų3776.8 Ų76.825%0.2537%0.373CS..Hα-helixtrans-59.8-45.9173.3-800000112.4F49 L67 R68 Q69 W74 L75F49-C71 WeakPolarHBondContact CE2-SG 3.31Å; F49-C71 VanDerWaalsContact CZ-SG 3.53Å; L67-C71 WeakPolarHBondContact O-CB 3.43Å; L67-C71 PolarHBondContact O-N 3.05Å; L67-C71 PolarHBondContact O-SG 3.25Å; L67-C71 VanDerWaalsContact O-SG 3.34Å; R68-C71 PolarHBondContact O-N 3.15Å; Q69-C71 VanDerWaalsContact C-N 3.34Å; Q69-C71 PolarHBondContact O-N 3.21Å; C71-W74 PolarHBondContact O-N 3.25Å; C71-L75 WeakPolarHBondContact O-CB 3.39Å; C71-L75 WeakPolarHBondContact O-CG 3.43Å; C71-L75 PolarHBondContact O-N 3Å
72R86.3Confident86.1Confident162 Ų16278 Ų7861%0.61138%0.376SS*.Hα-helixtrans-64-42.3178.6-78-175.2175.8-165.9-2.6111.5R68 Q69 Q76R68-R72 WeakPolarHBondContact O-CG 3.46Å; R68-R72 PolarHBondContact O-N 2.92Å; Q69-R72 PolarHBondContact O-N 3.45Å; R72-Q76 WeakPolarHBondContact O-CA 3.44Å; R72-Q76 PolarHBondContact O-N 3.06Å
73Q86.2Confident86.1Confident60 Ų6079.7 Ų79.728%0.2839%0.385SS..Hα-helixtrans-68.3-34.5178.5-71.5176.7-1700112.9C45 Q69 L70 Q76C45-Q73 HydrophobicContact CB-CB 4.25Å; Q69-Q73 WeakPolarHBondContact O-CG 3.38Å; Q69-Q73 PolarHBondContact O-N 3.1Å; L70-Q73 PolarHBondContact O-N 3.06Å; Q73-Q76 VanDerWaalsContact O-CG 3.26Å; Q73-Q76 WeakPolarHBondContact O-CG 3.47Å
74W85.8Confident85.9Confident11 Ų1183.9 Ų83.94%0.04240%0.403CS..Hα-helixtrans-76-53.3176.3168.634.5000112.5C45 R46 F49 L70 C71 L88 L89 E92C45-W74 HydrophobicContact CB-CB 4.07Å; R46-W74 HydrophobicContact CB-CD2 4.11Å; R46-W74 HydrophobicContact CB-CG 3.85Å; R46-W74 HydrophobicContact CG-CD2 3.94Å; R46-W74 VanDerWaalsContact CG-CE2 3.5Å; R46-W74 HydrophobicContact CG-CG 4.22Å; R46-W74 HydrophobicContact CG-CZ2 3.87Å; F49-W74 HydrophobicContact CD1-CE3 4.18Å; F49-W74 HydrophobicContact CD1-CZ3 4.05Å; F49-W74 HydrophobicContact CE1-CZ3 4.24Å; F49-W74 HydrophobicContact CG-CE3 4.47Å; L70-W74 VanDerWaalsContact O-CB 3.3Å; L70-W74 WeakPolarHBondContact O-CB 3.24Å; L70-W74 PolarHBondContact O-N 3.49Å; C71-W74 PolarHBondContact O-N 3.25Å; W74-L88 HydrophobicContact CZ2-CB 4.48Å; W74-L89 HydrophobicContact CH2-CD2 3.87Å; W74-L89 HydrophobicContact CZ3-CD2 4.07Å; W74-E92 HydrophobicContact CH2-CB 3.65Å; W74-E92 HydrophobicContact CH2-CG 3.72Å; W74-E92 HydrophobicContact CZ2-CB 3.9Å; W74-E92 HydrophobicContact CZ2-CG 4.18Å
75L86.3Confident85.9Confident24 Ų2481.1 Ų81.113%0.12639%0.389CS..Hα-helixtrans-80.7-22.6-171.8-62.3174.3000112.8C71 H80 I85 L88 L89C71-L75 WeakPolarHBondContact O-CB 3.39Å; C71-L75 WeakPolarHBondContact O-CG 3.43Å; C71-L75 PolarHBondContact O-N 3Å; L75-H80 PolarHBondContact O-ND1 2.83Å; L75-I85 HydrophobicContact CD1-CG2 4.27Å; L75-I85 HydrophobicContact CD2-CG2 4.35Å; L75-L88 HydrophobicContact CD2-CB 4.11Å; L75-L88 HydrophobicContact CD2-CD1 4.37Å; L75-L89 HydrophobicContact CD1-CD2 4.24Å; L75-L89 HydrophobicContact CD2-CD2 4.07Å; L75-L89 HydrophobicContact CD2-CG 4.35Å
76Q86Confident85.9Confident50 Ų5083.1 Ų83.123%0.23439%0.394CS..  trans4163.1179.6-59.1-176.2-40.100112R72 Q73 E78 L79 H80R72-Q76 WeakPolarHBondContact O-CA 3.44Å; R72-Q76 PolarHBondContact O-N 3.06Å; Q73-Q76 VanDerWaalsContact O-CG 3.26Å; Q73-Q76 WeakPolarHBondContact O-CG 3.47Å; Q76-E78 PolarHBondContact O-N 2.81Å; Q76-L79 HydrophobicContact CB-CB 4.3Å; Q76-L79 HydrophobicContact CB-CD1 4.22Å; Q76-L79 HydrophobicContact CB-CG 4.41Å; Q76-L79 PolarHBondContact O-N 3.46Å; Q76-H80 PolarHBondContact O-N 3.11Å; Q76-H80 PolarHBondContact O-ND1 3.04Å
77P83.6Confident85.8Confident60 Ų6084.4 Ų84.439%0.3940%0.4SS..THydrogen-bonded Turntrans-63-14.6-173.527.3-35.6000113.7L79 I85P77-L79 VanDerWaalsContact C-N 3.3Å; P77-I85 HydrophobicContact CB-CD1 3.95Å
78E85.4Confident85.7Confident130 Ų13083.8 Ų83.861%0.60740%0.396SS*.THydrogen-bonded Turntrans-74.9-18.8172.5-58.577.1-16800113.1Q76Q76-E78 PolarHBondContact O-N 2.81Å
79L78.6Confident85.6Confident126 Ų12678.4 Ų78.466%0.6638%0.381SS*.THydrogen-bonded Turntrans-110.9-19.2-177.5-60.6179.6000113.3Q76 P77Q76-L79 HydrophobicContact CB-CB 4.3Å; Q76-L79 HydrophobicContact CB-CD1 4.22Å; Q76-L79 HydrophobicContact CB-CG 4.41Å; Q76-L79 PolarHBondContact O-N 3.46Å; P77-L79 VanDerWaalsContact C-N 3.3Å
80H83.9Confident85.5Confident62 Ų6277.6 Ų77.629%0.28738%0.383SS..SBendtrans-116143.7-174.3-64.6102.8000113L75 Q76 Q84 I85L75-H80 PolarHBondContact O-ND1 2.83Å; Q76-H80 PolarHBondContact O-N 3.11Å; Q76-H80 PolarHBondContact O-ND1 3.04Å; H80-Q84 HydrophobicContact CB-CB 4Å; H80-I85 HydrophobicContact CB-CD1 4.43Å; H80-I85 HydrophobicContact CB-CG1 3.81Å
81T89.8Confident85.3Confident69 Ų6976.6 Ų76.642%0.42338%0.377SS..  trans-71.1165.5169.780.60000111.3E83 Q84 I85T81-E83 VanDerWaalsContact CB-OE2 3.32Å; T81-E83 WeakPolarHBondContact CB-OE2 3.18Å; T81-E83 PolarHBondContact O-N 3.15Å; T81-E83 PolarHBondContact OG1-N 2.87Å; T81-E83 PolarHBondContact OG1-OE2 2.83Å; T81-Q84 PolarHBondContact O-N 3.11Å; T81-Q84 VanDerWaalsContact O-N 3.16Å; T81-Q84 PolarHBondContact OG1-N 3.13Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.96Å
82K87.9Confident85.1Confident169 Ų16976.6 Ų76.674%0.73537%0.373SS*.Hα-helixtrans-58-37.8177.4-69.1-178.7-179174.80111.9I85 L86K82-I85 PolarHBondContact O-N 2.94Å; K82-L86 VanDerWaalsContact O-CG 3.29Å; K82-L86 WeakPolarHBondContact O-CG 3.4Å; K82-L86 PolarHBondContact O-N 3.47Å
83E84.8Confident85Confident126 Ų12674 Ų7459%0.58937%0.369SS*.Hα-helixtrans-65.6-43.6178.3-60.669-14800110.9T81 L86 E87T81-E83 VanDerWaalsContact CB-OE2 3.32Å; T81-E83 WeakPolarHBondContact CB-OE2 3.18Å; T81-E83 PolarHBondContact O-N 3.15Å; T81-E83 PolarHBondContact OG1-N 2.87Å; T81-E83 PolarHBondContact OG1-OE2 2.83Å; E83-L86 PolarHBondContact O-N 3.36Å; E83-E87 PolarHBondContact O-N 2.8Å
84Q81.6Confident84.9Confident91 Ų9174.3 Ų74.343%0.42537%0.369SS..Hα-helixtrans-66.2-39.3177-69.2172.6-31.400111.9H80 T81 L86 E87 L88H80-Q84 HydrophobicContact CB-CB 4Å; T81-Q84 PolarHBondContact O-N 3.11Å; T81-Q84 VanDerWaalsContact O-N 3.16Å; T81-Q84 PolarHBondContact OG1-N 3.13Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; Q84-E87 PolarHBondContact O-N 3.03Å; Q84-L88 WeakPolarHBondContact O-CG 3.33Å; Q84-L88 PolarHBondContact O-N 2.88Å
85I87.4Confident84.6Confident33 Ų3374.1 Ų74.117%0.16937%0.369CS..Hα-helixtrans-63.4-42.5173.9-65.1166.1000110.6L75 P77 H80 T81 K82 L88 L89L75-I85 HydrophobicContact CD1-CG2 4.27Å; L75-I85 HydrophobicContact CD2-CG2 4.35Å; P77-I85 HydrophobicContact CB-CD1 3.95Å; H80-I85 HydrophobicContact CB-CD1 4.43Å; H80-I85 HydrophobicContact CB-CG1 3.81Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.96Å; K82-I85 PolarHBondContact O-N 2.94Å; I85-L88 PolarHBondContact O-N 2.75Å; I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.26Å; I85-L89 PolarHBondContact O-N 3.38Å
86L87.1Confident84.2Confident106 Ų10675.5 Ų75.556%0.55538%0.378SS*.Hα-helixtrans-61.6-43.2175-74.3171.1000111.5K82 E83 Q84 L88 L89 V90K82-L86 VanDerWaalsContact O-CG 3.29Å; K82-L86 WeakPolarHBondContact O-CG 3.4Å; K82-L86 PolarHBondContact O-N 3.47Å; E83-L86 PolarHBondContact O-N 3.36Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 PolarHBondContact O-N 3.47Å; L86-L89 PolarHBondContact O-N 3.11Å; L86-V90 WeakPolarHBondContact O-CB 3.05Å; L86-V90 VanDerWaalsContact O-CG2 3.23Å; L86-V90 WeakPolarHBondContact O-CG2 3.32Å; L86-V90 PolarHBondContact O-N 3.46Å
87E84.2Confident84Confident97 Ų9778.8 Ų78.845%0.45340%0.396SS..Hα-helixtrans-59.1-43.2174.1-79.8-67132.200111.9E83 Q84 L89 V90 M91 S114E83-E87 PolarHBondContact O-N 2.8Å; Q84-E87 PolarHBondContact O-N 3.03Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3Å; E87-V90 PolarHBondContact O-N 2.88Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.3Å; E87-S114 WeakPolarHBondContact OE2-CB 3.17Å; E87-S114 PolarHBondContact OE2-OG 3.02Å
88L84.4Confident83.8Confident33 Ų3376.6 Ų76.617%0.17338%0.381CS..Hα-helixtrans-61.9-39.6176.3-70.7172.7000112.6W74 L75 Q84 I85 L86 M91 E92W74-L88 HydrophobicContact CZ2-CB 4.48Å; L75-L88 HydrophobicContact CD2-CB 4.11Å; L75-L88 HydrophobicContact CD2-CD1 4.37Å; Q84-L88 WeakPolarHBondContact O-CG 3.33Å; Q84-L88 PolarHBondContact O-N 2.88Å; I85-L88 PolarHBondContact O-N 2.75Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 PolarHBondContact O-N 3.47Å; L88-M91 HydrophobicContact CD2-CE 4.11Å; L88-M91 WeakPolarHBondContact O-CB 3.43Å; L88-E92 PolarHBondContact O-N 3.48Å
89L86.8Confident83.4Confident70 Ų7073.3 Ų73.337%0.36637%0.371SS..Hα-helixtrans-70.6-42.7176.2-67174.1000112W74 L75 I85 L86 E87 M91 E92 Q93W74-L89 HydrophobicContact CH2-CD2 3.87Å; W74-L89 HydrophobicContact CZ3-CD2 4.07Å; L75-L89 HydrophobicContact CD1-CD2 4.24Å; L75-L89 HydrophobicContact CD2-CD2 4.07Å; L75-L89 HydrophobicContact CD2-CG 4.35Å; I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.26Å; I85-L89 PolarHBondContact O-N 3.38Å; L86-L89 PolarHBondContact O-N 3.11Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.28Å; L89-E92 PolarHBondContact O-N 3Å; L89-Q93 WeakPolarHBondContact O-CB 3.14Å; L89-Q93 PolarHBondContact O-N 3.36Å
90V86.1Confident83.2Confident81 Ų8170.1 Ų70.149%0.49136%0.358SS..Hα-helixtrans-61.7-42.7175.4168.70000109.9L86 E87 Q93 F94L86-V90 WeakPolarHBondContact O-CB 3.05Å; L86-V90 VanDerWaalsContact O-CG2 3.23Å; L86-V90 WeakPolarHBondContact O-CG2 3.32Å; L86-V90 PolarHBondContact O-N 3.46Å; E87-V90 PolarHBondContact O-N 2.88Å; V90-Q93 PolarHBondContact O-N 3.37Å; V90-F94 WeakPolarHBondContact O-CB 3.31Å; V90-F94 PolarHBondContact O-N 2.84Å
91M81.6Confident82.8Confident11 Ų1172.4 Ų72.45%0.05437%0.369CS..Hα-helixtrans-58.5-48.1174.7-168.9-174.765.500111.1E87 L88 L89 F94 L95 I117E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.3Å; L88-M91 HydrophobicContact CD2-CE 4.11Å; L88-M91 WeakPolarHBondContact O-CB 3.43Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.28Å; M91-F94 PolarHBondContact O-N 3.34Å; M91-L95 HydrophobicContact CG-CD1 4.49Å; M91-L95 WeakPolarHBondContact O-CG 3.35Å; M91-L95 PolarHBondContact O-N 3.43Å; M91-I117 HydrophobicContact CB-CD1 4.4Å; M91-I117 HydrophobicContact CG-CD1 3.21Å; M91-I117 HydrophobicContact CG-CG1 4.41Å; M91-I117 HydrophobicContact SD-CD1 4.09Å
92E83.7Confident82.1Confident37 Ų3769.3 Ų69.317%0.17335%0.349CS..Hα-helixtrans-59.8-50.1176.7-168.5-79154.600111.5W74 L88 L89 F94 L95 T96W74-E92 HydrophobicContact CH2-CB 3.65Å; W74-E92 HydrophobicContact CH2-CG 3.72Å; W74-E92 HydrophobicContact CZ2-CB 3.9Å; W74-E92 HydrophobicContact CZ2-CG 4.18Å; L88-E92 PolarHBondContact O-N 3.48Å; L89-E92 PolarHBondContact O-N 3Å; E92-F94 VanDerWaalsContact C-N 3.3Å; E92-F94 PolarHBondContact O-N 3.03Å; E92-L95 WeakPolarHBondContact O-CB 3.4Å; E92-L95 PolarHBondContact O-N 2.81Å; E92-L95 VanDerWaalsContact O-N 3.14Å; E92-T96 WeakPolarHBondContact O-CG2 3.42Å; E92-T96 PolarHBondContact O-N 2.76Å
93Q84.6Confident81.4Confident109 Ų10962 Ų6251%0.50932%0.318SS..Hα-helixtrans-62.3-38.6179.3-174.758.174.600111.6L89 V90 T96 I97L89-Q93 WeakPolarHBondContact O-CB 3.14Å; L89-Q93 PolarHBondContact O-N 3.36Å; V90-Q93 PolarHBondContact O-N 3.37Å; Q93-T96 PolarHBondContact NE2-OG1 2.75Å; Q93-T96 PolarHBondContact O-N 3.44Å; Q93-T96 PolarHBondContact O-OG1 2.81Å; Q93-I97 PolarHBondContact O-N 3.48Å
94F82.4Confident80.8Confident65 Ų6558.1 Ų58.129%0.28531%0.307SS..Hα-helixtrans-63.4-42.2176.1-171.1-110.7000111.3V90 M91 E92 T96 I97 L98 I117 V121V90-F94 WeakPolarHBondContact O-CB 3.31Å; V90-F94 PolarHBondContact O-N 2.84Å; M91-F94 PolarHBondContact O-N 3.34Å; E92-F94 VanDerWaalsContact C-N 3.3Å; E92-F94 PolarHBondContact O-N 3.03Å; F94-T96 VanDerWaalsContact C-N 3.28Å; F94-T96 PolarHBondContact O-N 3.48Å; F94-I97 HydrophobicContact CD2-CD1 3.87Å; F94-I97 HydrophobicContact CD2-CG1 4.32Å; F94-I97 HydrophobicContact CE2-CD1 4.27Å; F94-I97 WeakPolarHBondContact O-CG1 3.45Å; F94-I97 PolarHBondContact O-N 3.37Å; F94-L98 HydrophobicContact CE1-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CD2 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.34Å; F94-L98 PolarHBondContact O-N 2.86Å; F94-I117 HydrophobicContact CD1-CB 4.12Å; F94-I117 HydrophobicContact CD1-CD1 4.3Å; F94-I117 HydrophobicContact CD1-CG2 3.62Å; F94-I117 HydrophobicContact CE1-CB 4.07Å; F94-I117 HydrophobicContact CE1-CG2 3.51Å; F94-V121 HydrophobicContact CE1-CG2 4.3Å
95L79.6Confident80.1Confident8 Ų860.3 Ų60.34%0.04231%0.312CS..Hα-helixtrans-63.8-31.8176.9-67.9171.6000113.1M91 E92 I97 L98 Q103 V106 I117M91-L95 HydrophobicContact CG-CD1 4.49Å; M91-L95 WeakPolarHBondContact O-CG 3.35Å; M91-L95 PolarHBondContact O-N 3.43Å; E92-L95 WeakPolarHBondContact O-CB 3.4Å; E92-L95 PolarHBondContact O-N 2.81Å; E92-L95 VanDerWaalsContact O-N 3.14Å; L95-I97 VanDerWaalsContact C-N 3.35Å; L95-L98 HydrophobicContact CD2-CD1 3.98Å; L95-Q103 PolarHBondContact O-NE2 2.73Å; L95-V106 HydrophobicContact CD2-CB 4.4Å; L95-V106 HydrophobicContact CD2-CG1 3.48Å; L95-V106 VanDerWaalsContact CD2-CG1 3.48Å; L95-I117 HydrophobicContact CD1-CD1 4.18Å; L95-I117 HydrophobicContact CD2-CD1 3.64Å; L95-I117 HydrophobicContact CD2-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CG2 3.88Å; L95-I117 HydrophobicContact CG-CD1 3.79Å
96T79.3Confident79.2Confident53 Ų5359.1 Ų59.133%0.32531%0.306SS..Hα-helixtrans-70.6-28.417868.50000113.6E92 Q93 F94 Q103E92-T96 WeakPolarHBondContact O-CG2 3.42Å; E92-T96 PolarHBondContact O-N 2.76Å; Q93-T96 PolarHBondContact NE2-OG1 2.75Å; Q93-T96 PolarHBondContact O-N 3.44Å; Q93-T96 PolarHBondContact O-OG1 2.81Å; F94-T96 VanDerWaalsContact C-N 3.28Å; F94-T96 PolarHBondContact O-N 3.48Å; T96-Q103 PolarHBondContact O-NE2 3.47Å
97I80.2Confident78.2Confident119 Ų11961.2 Ų61.261%0.6131%0.306SS*.Hα-helixtrans-85.2-14.1-179.862.7165000113.4Q93 F94 L95Q93-I97 PolarHBondContact O-N 3.48Å; F94-I97 HydrophobicContact CD2-CD1 3.87Å; F94-I97 HydrophobicContact CD2-CG1 4.32Å; F94-I97 HydrophobicContact CE2-CD1 4.27Å; F94-I97 WeakPolarHBondContact O-CG1 3.45Å; F94-I97 PolarHBondContact O-N 3.37Å; L95-I97 VanDerWaalsContact C-N 3.35Å
98L80.3Confident77.1Confident13 Ų1364.7 Ų64.77%0.06832%0.322CS..SBendtrans-66.3144.5178.6-65.9179.4000112.1F94 L95 I102 Q103 V106 I117 V121F94-L98 HydrophobicContact CE1-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CD2 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.34Å; F94-L98 PolarHBondContact O-N 2.86Å; L95-L98 HydrophobicContact CD2-CD1 3.98Å; L98-I102 HydrophobicContact CB-CB 4.45Å; L98-I102 HydrophobicContact CD1-CG2 4.01Å; L98-Q103 HydrophobicContact CB-CG 4.01Å; L98-Q103 PolarHBondContact O-NE2 3.45Å; L98-Q103 VanDerWaalsContact O-NE2 3.1Å; L98-V106 HydrophobicContact CD1-CG2 4.33Å; L98-I117 HydrophobicContact CD1-CG2 3.85Å; L98-V121 HydrophobicContact CD1-CG2 3.98Å; L98-V121 HydrophobicContact CD2-CG2 3.63Å; L98-V121 HydrophobicContact CG-CG2 4.48Å
99P76.5Confident76.2Confident62 Ų6272 Ų7240%0.40335%0.348SS..  trans-55.2148.3172-24.433.2000112.7E101 I102 Q103P99-E101 WeakPolarHBondContact CB-OE2 3.28Å; P99-E101 PolarHBondContact O-N 3.22Å; P99-E101 VanDerWaalsContact O-N 3.1Å; P99-I102 HydrophobicContact CG-CD1 4.3Å; P99-I102 PolarHBondContact O-N 2.79Å; P99-Q103 PolarHBondContact O-N 3.33Å
100P75.9Confident74.9Confident58 Ų5871.7 Ų71.738%0.37735%0.351SS..Hα-helixtrans-50.5-35.6179.4-2227.4000114.4I102 Q103 A104P100-I102 VanDerWaalsContact C-N 3.35Å; P100-Q103 PolarHBondContact O-N 2.85Å; P100-A104 PolarHBondContact O-N 3.38Å
101E75.4Confident74Confident111 Ų11168.2 Ų68.252%0.51933%0.329SS..Hα-helixtrans-65.9-39.3-178-5871.2-152.900111P99 F124P99-E101 WeakPolarHBondContact CB-OE2 3.28Å; P99-E101 PolarHBondContact O-N 3.22Å; P99-E101 VanDerWaalsContact O-N 3.1Å; E101-F124 HydrophobicContact CB-CE2 4.37Å; E101-F124 HydrophobicContact CB-CZ 4.11Å
102I73.7Confident73.1Confident3 Ų372.9 Ų72.92%0.01536%0.359CS..Hα-helixtrans-78.3-39.5176.3-53.9-172.8000109.9L98 P99 P100 A104 R105 V106 V121 F124L98-I102 HydrophobicContact CB-CB 4.45Å; L98-I102 HydrophobicContact CD1-CG2 4.01Å; P99-I102 HydrophobicContact CG-CD1 4.3Å; P99-I102 PolarHBondContact O-N 2.79Å; P100-I102 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.04Å; I102-R105 PolarHBondContact O-N 3.37Å; I102-V106 HydrophobicContact CG2-CG2 4.07Å; I102-V106 WeakPolarHBondContact O-CG2 3.21Å; I102-V106 PolarHBondContact O-N 3.09Å; I102-V121 HydrophobicContact CD1-CG1 4.39Å; I102-V121 HydrophobicContact CG2-CG2 4.03Å; I102-F124 HydrophobicContact CD1-CB 4.33Å; I102-F124 HydrophobicContact CD1-CD1 3.41Å; I102-F124 VanDerWaalsContact CD1-CD1 3.41Å; I102-F124 HydrophobicContact CD1-CE1 3.82Å; I102-F124 HydrophobicContact CD1-CG 3.91Å; I102-F124 HydrophobicContact CG1-CB 4.44Å; I102-F124 HydrophobicContact CG1-CD1 3.57Å; I102-F124 HydrophobicContact CG1-CD2 4.09Å; I102-F124 HydrophobicContact CG1-CE1 3.7Å; I102-F124 HydrophobicContact CG1-CE2 4.21Å; I102-F124 HydrophobicContact CG1-CG 3.76Å; I102-F124 HydrophobicContact CG1-CZ 4.02Å
103Q73.9Confident72.5Confident17 Ų1773.9 Ų73.98%0.07937%0.366CS..Hα-helixtrans-56.7-37.2175.5-72.7-176.3-6.700112.1L95 T96 L98 P99 P100 V106 R107L95-Q103 PolarHBondContact O-NE2 2.73Å; T96-Q103 PolarHBondContact O-NE2 3.47Å; L98-Q103 HydrophobicContact CB-CG 4.01Å; L98-Q103 PolarHBondContact O-NE2 3.45Å; L98-Q103 VanDerWaalsContact O-NE2 3.1Å; P99-Q103 PolarHBondContact O-N 3.33Å; P100-Q103 PolarHBondContact O-N 2.85Å; Q103-V106 PolarHBondContact O-N 3.29Å; Q103-R107 VanDerWaalsContact O-CG 3.23Å; Q103-R107 WeakPolarHBondContact O-CG 3.39Å; Q103-R107 PolarHBondContact O-N 3.29Å
104A71.4Confident71.9Confident44 Ų4470.7 Ų70.736%0.36436%0.355SS..Hα-helixtrans-62.5-43.8174.600000112.2P100 I102 R107 H108P100-A104 PolarHBondContact O-N 3.38Å; I102-A104 PolarHBondContact O-N 3.04Å; A104-R107 PolarHBondContact O-N 3.1Å; A104-H108 PolarHBondContact O-CD2 2.74Å
105R67.7Low71.8Confident137 Ų13775.2 Ų75.252%0.51738%0.375SS..Hα-helixtrans-67.1-38.7177.1-70.4-174.8174-158.9-1.6112.7I102 H108 R109I102-R105 PolarHBondContact O-N 3.37Å; R105-H108 PolarHBondContact O-N 2.95Å; R105-R109 PolarHBondContact O-N 2.77Å
106V68.8Low71.6Confident8 Ų877.6 Ų77.65%0.04839%0.387CS..Hα-helixtrans-68.7-35.4179.3174.90000111.8L95 L98 I102 Q103 H108 R109 C110 P111 L120L95-V106 HydrophobicContact CD2-CB 4.4Å; L95-V106 HydrophobicContact CD2-CG1 3.48Å; L95-V106 VanDerWaalsContact CD2-CG1 3.48Å; L98-V106 HydrophobicContact CD1-CG2 4.33Å; I102-V106 HydrophobicContact CG2-CG2 4.07Å; I102-V106 WeakPolarHBondContact O-CG2 3.21Å; I102-V106 PolarHBondContact O-N 3.09Å; Q103-V106 PolarHBondContact O-N 3.29Å; V106-H108 PolarHBondContact O-N 2.97Å; V106-R109 PolarHBondContact O-N 3.37Å; V106-R109 VanDerWaalsContact O-N 3.09Å; V106-C110 PolarHBondContact O-N 2.83Å; V106-P111 HydrophobicContact CG1-CG 3.59Å; V106-L120 HydrophobicContact CG2-CD1 4.32Å
107R65.6Low71.4Confident149 Ų14975 Ų7556%0.56237%0.372SS*.Hα-helixtrans-57.8-28.5174.8-78170.6-171.8172.44.4113.6Q103 A104Q103-R107 VanDerWaalsContact O-CG 3.23Å; Q103-R107 WeakPolarHBondContact O-CG 3.39Å; Q103-R107 PolarHBondContact O-N 3.29Å; A104-R107 PolarHBondContact O-N 3.1Å
108H61Low71.5Confident170 Ų17072.3 Ų72.379%0.78736%0.36SS*.Hα-helixtrans-91.6-13178.8-69.6-69.6000113.8A104 R105 V106A104-H108 PolarHBondContact O-CD2 2.74Å; R105-H108 PolarHBondContact O-N 2.95Å; V106-H108 PolarHBondContact O-N 2.97Å
109R65.3Low71.6Confident188 Ų18875 Ų7571%0.70938%0.377SS*.Hα-helixtrans-110.1-8.6-172.4-71.8-78.9-173.8-178.5-0.4114.2R105 V106 L120R105-R109 PolarHBondContact O-N 2.77Å; V106-R109 PolarHBondContact O-N 3.37Å; V106-R109 VanDerWaalsContact O-N 3.09Å; R109-L120 HydrophobicContact CB-CD1 4Å; R109-L120 HydrophobicContact CB-CD2 4.33Å; R109-L120 HydrophobicContact CG-CD2 4.12Å
110C60.6Low71.8Confident63 Ų6374.1 Ų74.143%0.42637%0.369SS..  trans38.664.7175.3-63.90000114V106 T112V106-C110 PolarHBondContact O-N 2.83Å; C110-T112 PolarHBondContact O-N 3.1Å
111P65.6Low72Confident7 Ų772.2 Ų72.25%0.04536%0.356CS..  trans-61.4134.7-177.525.9-33.6000110.6V106 D116 I117 L120V106-P111 HydrophobicContact CG1-CG 3.59Å; P111-D116 HydrophobicContact CB-CB 3.68Å; P111-I117 HydrophobicContact CB-CD1 4.44Å; P111-I117 HydrophobicContact CB-CG1 3.53Å; P111-I117 HydrophobicContact CG-CD1 4.16Å; P111-I117 HydrophobicContact CG-CG1 3.58Å; P111-L120 HydrophobicContact CB-CD1 4.31Å
112T64.5Low72.4Confident109 Ų10972.1 Ų72.167%0.66936%0.356SS*.  trans-96.5-18.8-173.5610000112.7C110 D116C110-T112 PolarHBondContact O-N 3.1Å; T112-D116 PolarHBondContact N-OD2 3.04Å; T112-D116 PolarHBondContact OG1-OD2 3.21Å
113N70.2Confident72.7Confident59 Ų5975.9 Ų75.932%0.31638%0.376SS..SBendtrans-143.6166.6179.867.767.5000111.3K115 D116N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 3.1Å; N113-K115 VanDerWaalsContact OD1-CA 3.29Å; N113-K115 WeakPolarHBondContact OD1-CA 3.36Å; N113-K115 WeakPolarHBondContact OD1-CB 3.46Å; N113-K115 PolarHBondContact OD1-N 3.46Å; N113-D116 VanDerWaalsContact CG-CG 3.49Å; N113-D116 PolarHBondContact N-OD2 2.94Å; N113-D116 PolarHBondContact ND2-OD1 3.44Å; N113-D116 PolarHBondContact ND2-OD2 2.77Å; N113-D116 WeakPolarHBondContact O-CB 3.33Å; N113-D116 PolarHBondContact O-N 3.04Å; N113-D116 PolarHBondContact OD1-N 2.91Å; N113-D116 PolarHBondContact OD1-OD1 2.99Å
114S72.6Confident73Confident42 Ų4277.3 Ų77.329%0.29438%0.382SS..Hα-helixtrans-61.3-33.4180490000113.3E87 I117 V118E87-S114 WeakPolarHBondContact OE2-CB 3.17Å; E87-S114 PolarHBondContact OE2-OG 3.02Å; S114-I117 PolarHBondContact O-N 3.33Å; S114-V118 WeakPolarHBondContact O-CG2 3.49Å; S114-V118 PolarHBondContact O-N 3.25Å; S114-V118 VanDerWaalsContact O-N 3.12Å
115K78.9Confident73.2Confident160 Ų16079.5 Ų79.570%0.69639%0.385SS*.Hα-helixtrans-67.2-36.4177-56.6178.9179.2175.70112.7N113 I117 V118 T119N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 3.1Å; N113-K115 VanDerWaalsContact OD1-CA 3.29Å; N113-K115 WeakPolarHBondContact OD1-CA 3.36Å; N113-K115 WeakPolarHBondContact OD1-CB 3.46Å; N113-K115 PolarHBondContact OD1-N 3.46Å; K115-I117 VanDerWaalsContact C-N 3.29Å; K115-I117 PolarHBondContact O-N 3.09Å; K115-V118 PolarHBondContact O-N 3.41Å; K115-T119 WeakPolarHBondContact O-CB 3.35Å; K115-T119 PolarHBondContact O-N 3.47Å; K115-T119 PolarHBondContact O-OG1 3.46Å
116D76.5Confident73.8Confident57 Ų5780.7 Ų80.731%0.30539%0.389SS..Hα-helixtrans-61.4-42176.5-63.1-14.9000110.2P111 T112 N113 T119 L120P111-D116 HydrophobicContact CB-CB 3.68Å; T112-D116 PolarHBondContact N-OD2 3.04Å; T112-D116 PolarHBondContact OG1-OD2 3.21Å; N113-D116 VanDerWaalsContact CG-CG 3.49Å; N113-D116 PolarHBondContact N-OD2 2.94Å; N113-D116 PolarHBondContact ND2-OD1 3.44Å; N113-D116 PolarHBondContact ND2-OD2 2.77Å; N113-D116 WeakPolarHBondContact O-CB 3.33Å; N113-D116 PolarHBondContact O-N 3.04Å; N113-D116 PolarHBondContact OD1-N 2.91Å; N113-D116 PolarHBondContact OD1-OD1 2.99Å; D116-T119 PolarHBondContact O-N 3.19Å; D116-L120 WeakPolarHBondContact O-CB 3.45Å; D116-L120 VanDerWaalsContact O-CG 3.23Å; D116-L120 WeakPolarHBondContact O-CG 3.43Å; D116-L120 PolarHBondContact O-N 3.32Å
117I74.9Confident74.1Confident0 Ų082.8 Ų82.80%041%0.407CS..Hα-helixtrans-68.4-44.1179-47.7176.3000110.7M91 F94 L95 L98 P111 S114 K115 T119 L120 V121M91-I117 HydrophobicContact CB-CD1 4.4Å; M91-I117 HydrophobicContact CG-CD1 3.21Å; M91-I117 HydrophobicContact CG-CG1 4.41Å; M91-I117 HydrophobicContact SD-CD1 4.09Å; F94-I117 HydrophobicContact CD1-CB 4.12Å; F94-I117 HydrophobicContact CD1-CD1 4.3Å; F94-I117 HydrophobicContact CD1-CG2 3.62Å; F94-I117 HydrophobicContact CE1-CB 4.07Å; F94-I117 HydrophobicContact CE1-CG2 3.51Å; L95-I117 HydrophobicContact CD1-CD1 4.18Å; L95-I117 HydrophobicContact CD2-CD1 3.64Å; L95-I117 HydrophobicContact CD2-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CG2 3.88Å; L95-I117 HydrophobicContact CG-CD1 3.79Å; L98-I117 HydrophobicContact CD1-CG2 3.85Å; P111-I117 HydrophobicContact CB-CD1 4.44Å; P111-I117 HydrophobicContact CB-CG1 3.53Å; P111-I117 HydrophobicContact CG-CD1 4.16Å; P111-I117 HydrophobicContact CG-CG1 3.58Å; S114-I117 PolarHBondContact O-N 3.33Å; K115-I117 VanDerWaalsContact C-N 3.29Å; K115-I117 PolarHBondContact O-N 3.09Å; I117-T119 VanDerWaalsContact C-N 3.33Å; I117-T119 PolarHBondContact O-N 3.43Å; I117-L120 PolarHBondContact O-N 3.16Å; I117-V121 HydrophobicContact CG2-CG2 4.18Å; I117-V121 WeakPolarHBondContact O-CB 3.35Å; I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 3.05Å
118V81.6Confident74Confident61 Ų6179.3 Ų79.337%0.3741%0.406SS..Hα-helixtrans-59.1-47.3177.7173.20000110.1S114 K115 L120 V121 E122S114-V118 WeakPolarHBondContact O-CG2 3.49Å; S114-V118 PolarHBondContact O-N 3.25Å; S114-V118 VanDerWaalsContact O-N 3.12Å; K115-V118 PolarHBondContact O-N 3.41Å; V118-L120 PolarHBondContact O-N 2.8Å; V118-V121 PolarHBondContact O-N 2.83Å; V118-V121 VanDerWaalsContact O-N 3.16Å; V118-E122 HydrophobicContact CG1-CG 4.23Å; V118-E122 WeakPolarHBondContact O-CB 3.47Å; V118-E122 VanDerWaalsContact O-CG 3.32Å; V118-E122 WeakPolarHBondContact O-CG 3.23Å; V118-E122 PolarHBondContact O-N 3.37Å
119T84.1Confident74.3Confident69 Ų6979.2 Ų79.242%0.42340%0.403SS..Hα-helixtrans-57-47.3175.3-52.30000111.5K115 D116 I117 V121 E122 D123K115-T119 WeakPolarHBondContact O-CB 3.35Å; K115-T119 PolarHBondContact O-N 3.47Å; K115-T119 PolarHBondContact O-OG1 3.46Å; D116-T119 PolarHBondContact O-N 3.19Å; I117-T119 VanDerWaalsContact C-N 3.33Å; I117-T119 PolarHBondContact O-N 3.43Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 3.14Å; T119-E122 PolarHBondContact O-N 3.47Å; T119-D123 WeakPolarHBondContact O-CB 3.48Å; T119-D123 PolarHBondContact O-N 3.24Å
120L79.3Confident74Confident44 Ų4477.4 Ų77.423%0.2340%0.4CS..Hα-helixtrans-61.4-37.9177.9-74.2169.2000112.9V106 R109 P111 D116 I117 V118 F124V106-L120 HydrophobicContact CG2-CD1 4.32Å; R109-L120 HydrophobicContact CB-CD1 4Å; R109-L120 HydrophobicContact CB-CD2 4.33Å; R109-L120 HydrophobicContact CG-CD2 4.12Å; P111-L120 HydrophobicContact CB-CD1 4.31Å; D116-L120 WeakPolarHBondContact O-CB 3.45Å; D116-L120 VanDerWaalsContact O-CG 3.23Å; D116-L120 WeakPolarHBondContact O-CG 3.43Å; D116-L120 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 3.16Å; V118-L120 PolarHBondContact O-N 2.8Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.35Å; L120-F124 VanDerWaalsContact O-N 3.09Å
121V80.4Confident73.3Confident18 Ų1879.5 Ų79.511%0.10941%0.414CS..Hα-helixtrans-71.1-42.5177.3173.30000110.5F94 L98 I102 I117 V118 T119 F124 H125F94-V121 HydrophobicContact CE1-CG2 4.3Å; L98-V121 HydrophobicContact CD1-CG2 3.98Å; L98-V121 HydrophobicContact CD2-CG2 3.63Å; L98-V121 HydrophobicContact CG-CG2 4.48Å; I102-V121 HydrophobicContact CD1-CG1 4.39Å; I102-V121 HydrophobicContact CG2-CG2 4.03Å; I117-V121 HydrophobicContact CG2-CG2 4.18Å; I117-V121 WeakPolarHBondContact O-CB 3.35Å; I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 3.05Å; V118-V121 PolarHBondContact O-N 2.83Å; V118-V121 VanDerWaalsContact O-N 3.16Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 3.14Å; V121-F124 WeakPolarHBondContact O-CB 3.37Å; V121-F124 PolarHBondContact O-N 2.88Å; V121-H125 PolarHBondContact O-N 3.49Å; V121-H125 PolarHBondContact O-ND1 2.87Å
122E83.8Confident73Confident110 Ų11085.3 Ų85.351%0.51444%0.438SS..Hα-helixtrans-63.8-43.7176.6-74.7-179.3174.500111.7V118 T119 F124 H125 R126V118-E122 HydrophobicContact CG1-CG 4.23Å; V118-E122 WeakPolarHBondContact O-CB 3.47Å; V118-E122 VanDerWaalsContact O-CG 3.32Å; V118-E122 WeakPolarHBondContact O-CG 3.23Å; V118-E122 PolarHBondContact O-N 3.37Å; T119-E122 PolarHBondContact O-N 3.47Å; E122-F124 VanDerWaalsContact C-N 3.3Å; E122-F124 PolarHBondContact O-N 3.18Å; E122-H125 PolarHBondContact O-N 3.32Å; E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 3.04Å
123D81.1Confident72.7Confident82 Ų8286.1 Ų86.144%0.43943%0.434SS..Hα-helixtrans-61.6-39.6174.8-77.1-18.4000111.8T119 R126 A127T119-D123 WeakPolarHBondContact O-CB 3.48Å; T119-D123 PolarHBondContact O-N 3.24Å; D123-R126 PolarHBondContact O-N 2.95Å; D123-A127 VanDerWaalsContact O-CB 3.26Å; D123-A127 WeakPolarHBondContact O-CB 3.35Å; D123-A127 PolarHBondContact O-N 2.81Å
124F78.6Confident72.2Confident46 Ų4690 Ų9020%0.20244%0.444CS..Hα-helixtrans-62.2-47.4173.5-179.9-92.6000111.7E101 I102 L120 V121 E122 R126 A127 S128E101-F124 HydrophobicContact CB-CE2 4.37Å; E101-F124 HydrophobicContact CB-CZ 4.11Å; I102-F124 HydrophobicContact CD1-CB 4.33Å; I102-F124 HydrophobicContact CD1-CD1 3.41Å; I102-F124 VanDerWaalsContact CD1-CD1 3.41Å; I102-F124 HydrophobicContact CD1-CE1 3.82Å; I102-F124 HydrophobicContact CD1-CG 3.91Å; I102-F124 HydrophobicContact CG1-CB 4.44Å; I102-F124 HydrophobicContact CG1-CD1 3.57Å; I102-F124 HydrophobicContact CG1-CD2 4.09Å; I102-F124 HydrophobicContact CG1-CE1 3.7Å; I102-F124 HydrophobicContact CG1-CE2 4.21Å; I102-F124 HydrophobicContact CG1-CG 3.76Å; I102-F124 HydrophobicContact CG1-CZ 4.02Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.35Å; L120-F124 VanDerWaalsContact O-N 3.09Å; V121-F124 WeakPolarHBondContact O-CB 3.37Å; V121-F124 PolarHBondContact O-N 2.88Å; E122-F124 VanDerWaalsContact C-N 3.3Å; E122-F124 PolarHBondContact O-N 3.18Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 2.84Å; F124-A127 PolarHBondContact O-N 3.44Å; F124-S128 WeakPolarHBondContact O-CB 3.21Å; F124-S128 PolarHBondContact O-N 3.18Å; F124-S128 PolarHBondContact O-OG 2.72Å
125H77.4Confident72Confident90 Ų9090.5 Ų90.542%0.41745%0.445SS..Hα-helixtrans-62.6-41.8176.9-74.295.1000111.6V121 E122 S128 K129V121-H125 PolarHBondContact O-N 3.49Å; V121-H125 PolarHBondContact O-ND1 2.87Å; E122-H125 PolarHBondContact O-N 3.32Å; H125-S128 WeakPolarHBondContact CA-OG 3.48Å; H125-S128 PolarHBondContact O-N 3.11Å; H125-S128 PolarHBondContact O-OG 3.45Å; H125-K129 WeakPolarHBondContact O-CB 3.5Å; H125-K129 WeakPolarHBondContact O-CG 2.99Å; H125-K129 PolarHBondContact O-N 2.73Å
126R80.4Confident71.1Confident162 Ų16285 Ų8561%0.61143%0.43SS*.Hα-helixtrans-61.3-44.5175.9-170.1-173.1-60.2-105.70.6111.4E122 D123 F124 K129 K130E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 3.04Å; D123-R126 PolarHBondContact O-N 2.95Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 2.84Å; R126-K129 PolarHBondContact O-N 3.25Å; R126-K130 PolarHBondContact O-N 2.64Å
127A73.1Confident70.8Confident52 Ų5285 Ų8543%0.4343%0.432SS..Hα-helixtrans-64.7-38.9176.400000112.1D123 F124 K129 K130D123-A127 VanDerWaalsContact O-CB 3.26Å; D123-A127 WeakPolarHBondContact O-CB 3.35Å; D123-A127 PolarHBondContact O-N 2.81Å; F124-A127 PolarHBondContact O-N 3.44Å; A127-K129 VanDerWaalsContact C-N 3.33Å; A127-K129 PolarHBondContact O-N 3.28Å; A127-K130 PolarHBondContact O-N 2.89Å
128S64.7Low70.1Confident76 Ų7689.3 Ų89.353%0.53146%0.461SS..Hα-helixtrans-71.4-24.7178.172.20000114.1F124 H125F124-S128 WeakPolarHBondContact O-CB 3.21Å; F124-S128 PolarHBondContact O-N 3.18Å; F124-S128 PolarHBondContact O-OG 2.72Å; H125-S128 WeakPolarHBondContact CA-OG 3.48Å; H125-S128 PolarHBondContact O-N 3.11Å; H125-S128 PolarHBondContact O-OG 3.45Å
129K67.7Low68.7Low169 Ų16992 Ų9274%0.73547%0.471SS*.Hα-helixtrans-87.2-10177.7-74179.4-179.2-177.70113.7H125 R126 A127H125-K129 WeakPolarHBondContact O-CB 3.5Å; H125-K129 WeakPolarHBondContact O-CG 2.99Å; H125-K129 PolarHBondContact O-N 2.73Å; R126-K129 PolarHBondContact O-N 3.25Å; A127-K129 VanDerWaalsContact C-N 3.33Å; A127-K129 PolarHBondContact O-N 3.28Å
130K58.9Low67.6Low149 Ų14998.3 Ų98.365%0.64850%0.496SS*.SBendtrans-66.3125.7174-73.3-172.5-178.7-175.80108.3R126 A127 K132R126-K130 PolarHBondContact O-N 2.64Å; A127-K130 PolarHBondContact O-N 2.89Å; K130-K132 PolarHBondContact O-N 3.03Å
131P46.3Very low67Low108 Ų10899.7 Ų99.770%0.70152%0.521SS*.  trans-60.2126.9177.724.3-31.9000108.5Q133P131-Q133 PolarHBondContact O-N 3.12Å
132K58.5Low65.1Low129 Ų129105.7 Ų105.756%0.56155%0.548SS*.  trans-62.1102.8172-63.8-178.2163.6-125.20107.4K130 W134 E147K130-K132 PolarHBondContact O-N 3.03Å; K132-W134 HydrophobicContact CD-CZ2 4.45Å; K132-W134 PolarHBondContact O-N 3.49Å; K132-W134 PolarHBondContact O-NE1 2.99Å; K132-E147 HydrophobicContact CB-CG 4.33Å; K132-E147 WeakPolarHBondContact CD-OE1 3.47Å; K132-E147 WeakPolarHBondContact CE-OE1 3.49Å; K132-E147 WeakPolarHBondContact CG-OE1 3.21Å; K132-E147 VanDerWaalsContact NZ-CD 3.29Å; K132-E147 IonicContact NZ-OE1 2.99Å; K132-E147 PolarHBondContact NZ-OE1 3.34Å; K132-E147 IonicContact NZ-OE2 3.41Å; K132-E147 PolarHBondContact NZ-OE2 3.32Å
133Q58.6Low64.3Low125 Ų125108.3 Ų108.358%0.58456%0.557SS**  trans-78.5118.7174.1-84.1-176.2-9.300108.2P131 K148P131-Q133 PolarHBondContact O-N 3.12Å; Q133-K148 HydrophobicContact CB-CB 4.44Å; Q133-K148 PolarHBondContact O-N 3.18Å
134W60Low63.5Low141 Ų141107.5 Ų107.553%0.53456%0.556SS.*EExtended strand (participates in β ladder)trans-97130174.7-58.487000108.7K132 L145 L146 E147K132-W134 HydrophobicContact CD-CZ2 4.45Å; K132-W134 PolarHBondContact O-N 3.49Å; K132-W134 PolarHBondContact O-NE1 2.99Å; W134-L145 HydrophobicContact CB-CD2 3.48Å; W134-L145 VanDerWaalsContact CB-CD2 3.48Å; W134-L145 HydrophobicContact CE3-CB 4.12Å; W134-L145 HydrophobicContact CG-CD2 4.32Å; W134-L146 WeakPolarHBondContact CA-O 3.45Å; W134-E147 HydrophobicContact CE3-CB 4.05Å; W134-E147 HydrophobicContact CH2-CB 4.14Å; W134-E147 HydrophobicContact CZ3-CB 3.85Å
135V67.7Low62.6Low52 Ų52110.4 Ų110.432%0.31557%0.572SS.*EExtended strand (participates in β ladder)trans-108.8126.4169.6-178.90000107.6V137 L146 K148V135-V137 HydrophobicContact CG1-CG2 4.18Å; V135-V137 PolarHBondContact O-N 2.81Å; V135-L146 PolarHBondContact N-O 3.14Å; V135-L146 PolarHBondContact O-N 3.02Å; V135-K148 HydrophobicContact CG2-CD 3.56Å; V135-K148 VanDerWaalsContact CG2-CE 3.46Å; V135-K148 HydrophobicContact CG2-CG 3.85Å
136A60.7Low61.8Low46 Ų46110.4 Ų110.438%0.3858%0.575SS.*EExtended strand (participates in β ladder)trans-76.7115.7170.700000108.7K143 V144A136-K143 HydrophobicContact CB-CD 4.21Å; A136-K143 HydrophobicContact CB-CG 3.94Å; A136-V144 WeakPolarHBondContact CA-O 3.46Å
137V69.3Low60.9Low55 Ų55106.4 Ų106.433%0.33356%0.563SS.*EExtended strand (participates in β ladder)trans-109.7131.5173.3-1740000107.4V135 M139 V144 L146V135-V137 HydrophobicContact CG1-CG2 4.18Å; V135-V137 PolarHBondContact O-N 2.81Å; V137-M139 HydrophobicContact CG1-CG 3.99Å; V137-V144 PolarHBondContact N-O 3.23Å; V137-V144 PolarHBondContact O-N 2.97Å; V137-L146 HydrophobicContact CB-CD1 4.14Å; V137-L146 HydrophobicContact CG2-CD1 3.91Å
138C59.6Low60.2Low91 Ų91110.1 Ų110.162%0.61557%0.57SS**EExtended strand (participates in β ladder)trans-89.8110.7174.3-140.50000107.8Q142C138-Q142 WeakPolarHBondContact CA-O 3.19Å
139M53.5Low59.2Low119 Ų119112.4 Ų112.459%0.58658%0.581SS**EExtended strand (participates in β ladder)trans-114.7122.7173.4-62.8-149.379.900108.2V137 G141 Q142V137-M139 HydrophobicContact CG1-CG 3.99Å; M139-G141 VanDerWaalsContact C-N 3.27Å; M139-G141 PolarHBondContact O-N 3.25Å; M139-Q142 PolarHBondContact N-O 3.14Å; M139-Q142 PolarHBondContact O-N 3.16Å
140Q61Low58.3Low200 Ų200108.1 Ų108.194%0.93558%0.584SS**THydrogen-bonded Turntrans55.439177.5-56172.78.500113.6Q142Q140-Q142 PolarHBondContact O-N 3.41Å
141G65.4Low57.4Low74 Ų74106.3 Ų106.376%0.76359%0.59SS**THydrogen-bonded Turntrans77.61.4179.400000115.1M139M139-G141 VanDerWaalsContact C-N 3.27Å; M139-G141 PolarHBondContact O-N 3.25Å
142Q41.8Very low56.8Low144 Ų144110.6 Ų110.667%0.67360%0.601SS**EExtended strand (participates in β ladder)trans-108.7132.9172.9-69.6-172.9-38.300111.3C138 M139 Q140 V144C138-Q142 WeakPolarHBondContact CA-O 3.19Å; M139-Q142 PolarHBondContact N-O 3.14Å; M139-Q142 PolarHBondContact O-N 3.16Å; Q140-Q142 PolarHBondContact O-N 3.41Å; Q142-V144 PolarHBondContact O-N 3.22Å
143K65.5Low55.6Low164 Ų164113.6 Ų113.671%0.71362%0.622SS**EExtended strand (participates in β ladder)trans-82.4111.3177.6-171.1178.5-177.7179.20109.6A136A136-K143 HydrophobicContact CB-CD 4.21Å; A136-K143 HydrophobicContact CB-CG 3.94Å
144V64.4Low54.1Low66 Ų66110.7 Ų110.740%0.463%0.626SS.*EExtended strand (participates in β ladder)trans-111.3130.5178-1750000109.2A136 V137 Q142A136-V144 WeakPolarHBondContact CA-O 3.46Å; V137-V144 PolarHBondContact N-O 3.23Å; V137-V144 PolarHBondContact O-N 2.97Å; Q142-V144 PolarHBondContact O-N 3.22Å
145L60.9Low53Low106 Ų106113.4 Ų113.456%0.55565%0.645SS**EExtended strand (participates in β ladder)trans-87.5112.9174.8-84.4137.1000109.4W134W134-L145 HydrophobicContact CB-CD2 3.48Å; W134-L145 VanDerWaalsContact CB-CD2 3.48Å; W134-L145 HydrophobicContact CE3-CB 4.12Å; W134-L145 HydrophobicContact CG-CD2 4.32Å
146L59.9Low51.1Low90 Ų90120.2 Ų120.247%0.47167%0.673SS.*EExtended strand (participates in β ladder)trans-102.3134176.2-71.5166.6000110.1W134 V135 V137 K148W134-L146 WeakPolarHBondContact CA-O 3.45Å; V135-L146 PolarHBondContact N-O 3.14Å; V135-L146 PolarHBondContact O-N 3.02Å; V137-L146 HydrophobicContact CB-CD1 4.14Å; V137-L146 HydrophobicContact CG2-CD1 3.91Å; L146-K148 PolarHBondContact O-N 3.39Å
147E60.7Low49.5Very low78 Ų78126.3 Ų126.336%0.36469%0.694SS.*EExtended strand (participates in β ladder)trans-75.7119.2174.9-172.2174.4174.700109K132 W134 T149K132-E147 HydrophobicContact CB-CG 4.33Å; K132-E147 WeakPolarHBondContact CD-OE1 3.47Å; K132-E147 WeakPolarHBondContact CE-OE1 3.49Å; K132-E147 WeakPolarHBondContact CG-OE1 3.21Å; K132-E147 VanDerWaalsContact NZ-CD 3.29Å; K132-E147 IonicContact NZ-OE1 2.99Å; K132-E147 PolarHBondContact NZ-OE1 3.34Å; K132-E147 IonicContact NZ-OE2 3.41Å; K132-E147 PolarHBondContact NZ-OE2 3.32Å; W134-E147 HydrophobicContact CE3-CB 4.05Å; W134-E147 HydrophobicContact CH2-CB 4.14Å; W134-E147 HydrophobicContact CZ3-CB 3.85Å; E147-T149 PolarHBondContact O-N 3.35Å
148K59.7Low47.6Very low131 Ų131130.4 Ų130.457%0.5771%0.713SS**  trans-68.597.7173.3-93.8179.6165.8168.90109.1Q133 V135 L146 G150Q133-K148 HydrophobicContact CB-CB 4.44Å; Q133-K148 PolarHBondContact O-N 3.18Å; V135-K148 HydrophobicContact CG2-CD 3.56Å; V135-K148 VanDerWaalsContact CG2-CE 3.46Å; V135-K148 HydrophobicContact CG2-CG 3.85Å; L146-K148 PolarHBondContact O-N 3.39Å; K148-G150 PolarHBondContact O-N 3.23Å; K148-G150 VanDerWaalsContact O-N 3.15Å
149T43Very low46.3Very low123 Ų123132 Ų13276%0.75572%0.722SS**  trans-73.6102.7164.753.20000108.3E147 S151E147-T149 PolarHBondContact O-N 3.35Å; T149-S151 PolarHBondContact O-N 2.89Å
150G49Very low45.2Very low79 Ų79132 Ų13281%0.81473%0.725SS**  trans-67.193.1177.400000111.9K148K148-G150 PolarHBondContact O-N 3.23Å; K148-G150 VanDerWaalsContact O-N 3.15Å
151S40.8Very low43.5Very low111 Ų111132 Ų13278%0.77672%0.722SS**  trans-162.294.9155.2-101.50000108.5T149T149-S151 PolarHBondContact O-N 2.89Å
152Q32.3Very low41.9Very low198 Ų198136.2 Ų136.293%0.92572%0.722SS**  trans-171.990.3143.8-101.9173.45100107.3
153L33.1Very low41.3Very low192 Ų192135.2 Ų135.2100%1.00573%0.728SS**  trans-79.9116.8147.6-92.2160.8000104.8
154G27Very low39.7Very low65 Ų65136 Ų13667%0.6773%0.734SS**  trans-164.6101.5174.900000106.3
155E37Very low38.1Very low198 Ų198138.8 Ų138.893%0.92575%0.751SS**  trans-50.4136.5178.3-67.7158.2101.100111.4
156Q27.9Very low36.6Very low194 Ų194140 Ų14091%0.90777%0.765SS**  trans-131.7104.9157.3-84.4-175.10.300108.6
157E28Very low35.2Very low175 Ų175146.9 Ų146.982%0.81879%0.785SS**  trans-59.8128.1151.2-79.6-102.39700109.3
158L30.1Very low33.8Very low140 Ų140153.7 Ų153.773%0.73381%0.807SS**  trans26.2144.7149.5-96.5101.8000121.4
159P31.3Very low32.2Very low124 Ų124153 Ų15381%0.80581%0.81SS**  -140.5150.877.332.6-13000117.8
160D30.2Very low31.6Very low120 Ų120154 Ų15464%0.64281%0.81SS**  trans-26.4127.8161.2-160.24.3000115.8
161F25.8Very low30.7Very low201 Ų201160.3 Ų160.388%0.88281%0.809SS**  trans-149.7106.5155.9-110.7-82000109.6
162Q31.8Very low30.1Very low162 Ų162162.3 Ų162.376%0.75781%0.806SS**PPolyproline II helixtrans-61.7139.9171-65-149.6-47.400112.2
163P30.1Very low30Very low122 Ų122158.2 Ų158.279%0.79280%0.799SS**PPolyproline II helixtrans-88.4119156.51.218000109.6
164Q30.1Very low29.8Very low181 Ų181154.5 Ų154.585%0.84679%0.789SS**PPolyproline II helixtrans-61.8144.8168.6-65-168.78.500111.2
165T31Very low30.7Very low125 Ų125156.9 Ų156.977%0.76779%0.793SS**PPolyproline II helixtrans-66.4158.2174.252.70000112
166P30.4Very low30.3Very low130 Ų130152 Ų15284%0.84479%0.786SS**  trans-115.1135.9134.1217.9000110.8
167R29.5Very low30.5Very low235 Ų235150.8 Ų150.889%0.88778%0.781SS**  trans-67163175.4-91.5-178.4158.8-163.1-4.1113.6
168R31.3Very low31.1Very low221 Ų221147.7 Ų147.783%0.83478%0.776SS**  trans102.8130.1158.8-71.2-167.5167.7154.4-0.8114
169D26.9Very low31.2Very low117 Ų117145.2 Ų145.263%0.62677%0.77SS**  cis-158.9148.67.9-96.9-35000110.3
170L29.3Very low31.2Very low145 Ų145148.7 Ų148.776%0.75978%0.776SS**  trans45.8128.7144-79.2124.9000122.7
171R31.3Very low31.2Very low211 Ų211148.1 Ų148.180%0.79679%0.787SS**  112.593.5129.1-129.7164.9-156.5-136.84.3115.3
172E28.5Very low31.3Very low153 Ų153142 Ų14272%0.71578%0.781SS**  95.1134.782-133.6166.3155.100112.2
173S30.6Very low31.2Very low111 Ų111139 Ų13978%0.77679%0.785SS**  trans97.289.3155.4-44.60000119.4
174S28.4Very low31.1Very low114 Ų114144 Ų14480%0.79779%0.789SS**  trans-68.8177.9133.3-146.30000109
175P45.4Very low31.1Very low116 Ų116142.6 Ų142.675%0.75379%0.787SS**  cis-141.3-172.15.638.9-17.1000115.4
176A29.3Very low31.2Very low94 Ų94147.1 Ų147.178%0.77779%0.79SS**  trans117.696.7142.800000117.6
177E31.1Very low31.1Very low170 Ų170148.8 Ų148.879%0.79479%0.791SS**  trans-51.6150.7133-87.4-78.5137.300110.5
178P41.4Very low31Very low109 Ų109142.9 Ų142.971%0.70879%0.786SS**  -152.6151.279.140.9-21.3000118
179S30.9Very low32Very low89 Ų89137.4 Ų137.462%0.62278%0.779SS**  trans40.7123.3136.467.90000120.9
180Q31.8Very low32Very low197 Ų197140.4 Ų140.492%0.92179%0.789SS**  -170.6149.4115.2-103.3174.926.700113.1
181A29.5Very low31.9Very low107 Ų107140.6 Ų140.688%0.88479%0.786SS**  trans-77.5158.4-172.700000114
182G28.1Very low31.5Very low73 Ų73141.5 Ų141.575%0.75379%0.789SS**  trans178.189.1168.100000113.9
183A30.6Very low31.4Very low100 Ų100139.8 Ų139.883%0.82678%0.781SS**  trans3.3135159.100000120.8
184Y28.3Very low31.3Very low227 Ų227142 Ų14289%0.8978%0.777SS**  trans-146.6137.6136.261.6-88.3000111.8
185D30.2Very low31.4Very low150 Ų150141.8 Ų141.880%0.80278%0.775SS**  trans-82143-177.5-99.6-54.2000113.3
186R31.8Very low31.2Very low220 Ų220142 Ų14283%0.8378%0.777SS**  trans-9.1126.3145.9-91.2-175.6-172-154.14118.8
187L29.7Very low31.1Very low166 Ų166145.2 Ų145.287%0.86978%0.78SS**  156.5132.1114.5-83.1160.4000113
188S27.7Very low31Very low111 Ų111145.1 Ų145.178%0.77678%0.784SS**  trans-82.7-176.3157.9-75.70000110.3
189P50.5Low30.4Very low106 Ų106148.7 Ų148.769%0.68879%0.791SS**  cis-131.6163.1-44.133.2-17000111.6
190H28Very low30.3Very low179 Ų179152.9 Ų152.983%0.82980%0.801SS**  trans165155.9135.8-105.8-93.5000112.9
191H26.5Very low30.3Very low149 Ų149149 Ų14969%0.6979%0.793SS**  trans85.8110.8158.4-108.5-94.1000118.6
192W23.5Very low30.5Very low231 Ų231149.8 Ų149.888%0.87579%0.787SS**  -141.9129.1126.877-83.5000110.3
193E26.2Very low30.7Very low116 Ų116152.3 Ų152.354%0.54279%0.79SS.*  trans-99.4153.2174.3-109.7-166.3140.400108.9
194K28.5Very low30.6Very low157 Ų157157 Ų15768%0.68379%0.792SS**  trans85.8121.8144.9-73.5163.3-178.5147.30120.8
195S30.4Very low30.8Very low110 Ų110154.8 Ų154.877%0.76979%0.794SS**  trans-63.5179174.8-41.30000115.3
196P40.4Very low30.6Very low120 Ų120152.5 Ų152.578%0.77980%0.797SS**  -143.4133.9100.131.5-13.5000116.7
197L28.1Very low30.4Very low163 Ų163145.6 Ų145.685%0.85379%0.794SS**  trans29.3117132.9-59.7169.3000120.6
198L28.5Very low30.7Very low168 Ų168144.2 Ų144.288%0.8879%0.792SS**  trans-144147.7133.8-103163.8000109.6
199Q28.7Very low30.7Very low183 Ų183148.2 Ų148.286%0.85580%0.799SS**PPolyproline II helixtrans-83.5137.8-149.4-66.8158.8400114.6
200E28.6Very low29.7Very low177 Ų177147.5 Ų147.583%0.82780%0.802SS**PPolyproline II helixtrans-93.8143162.7-71.8-73136.300110
201P33.2Very low29.7Very low116 Ų116144.8 Ų144.875%0.75380%0.8SS**PPolyproline II helixtrans-82127.6172.732-29.1000111.2
202T33.1Very low29.9Very low124 Ų124149.4 Ų149.476%0.76181%0.811SS**PPolyproline II helixtrans-66.1151.7173.153.80000113.5
203P31.5Very low30Very low125 Ų125146.6 Ų146.681%0.81281%0.81SS**  trans-110.3128.8143.228.1-15.1000111.1
204K29.1Very low29.9Very low198 Ų198151.4 Ų151.486%0.86182%0.823SS**  trans-67.9139.3176.9-72.9176175.4176.90111.5
205L32.2Very low29.9Very low181 Ų181149.6 Ų149.695%0.94883%0.831SS**  trans-69.7129.2163.5-72.7163.6000110.4
206A26.7Very low29.7Very low103 Ų103150.9 Ų150.985%0.85183%0.829SS**  trans-155.2131.6154.700000109.9
207G26.9Very low29.3Very low74 Ų74153 Ų15376%0.76383%0.834SS**  trans87.398.5150.400000117.3E209G207-E209 PolarHBondContact O-N 2.96Å
208T37Very low29.2Very low138 Ų138154.6 Ų154.685%0.84783%0.834SS**  trans-45.4122.6148.945.70000111.3
209E26.2Very low29.4Very low195 Ų195155.6 Ų155.691%0.91183%0.834SS**  trans-165.5134.6143.1-74.5-142.312700110.3G207G207-E209 PolarHBondContact O-N 2.96Å
210A29.6Very low29.4Very low91 Ų91153.3 Ų153.375%0.75283%0.828SS**  trans-75.2146.6177.600000111.7R212A210-R212 PolarHBondContact O-N 3.46Å
211P29.7Very low29.9Very low122 Ų122150.1 Ų150.179%0.79282%0.822SS**  trans-74.8107.3179.927.4-29.8000111.2M213P211-M213 PolarHBondContact O-N 2.92Å
212R28.8Very low29.8Very low245 Ų245151.9 Ų151.993%0.92582%0.82SS**  trans-68.4102.7158.2-95.1-177173.4-175.10.2108.8A210 R214A210-R212 PolarHBondContact O-N 3.46Å; R212-R214 PolarHBondContact O-N 3.19Å; R212-R214 VanDerWaalsContact O-N 3.15Å
213M26Very low29.6Very low173 Ų173155.4 Ų155.485%0.85283%0.828SS**  trans-71.6105.1164.2-73.5-69-164.800109.3P211P211-M213 PolarHBondContact O-N 2.92Å
214R25.6Very low29.5Very low217 Ų217158.1 Ų158.182%0.81983%0.83SS**  trans-61.9130.1162-90.1-176.7176.9-158.11.1108.8R212 D216R212-R214 PolarHBondContact O-N 3.19Å; R212-R214 VanDerWaalsContact O-N 3.15Å; R214-D216 PolarHBondContact O-N 3.09Å
215S27.3Very low29.5Very low119 Ų119152.6 Ų152.683%0.83283%0.829SS**  trans-8691.1166-58.50000107.6N217S215-N217 PolarHBondContact O-N 3.18Å
216D27.1Very low29.3Very low137 Ų137148.8 Ų148.873%0.73382%0.823SS**  trans-73.9104.4165.4-77.3-48000108.3R214 K218R214-D216 PolarHBondContact O-N 3.09Å; D216-K218 PolarHBondContact O-N 3.15Å
217N31.4Very low29.5Very low165 Ų165154.3 Ų154.388%0.88283%0.828SS**  trans-82.890.9165.8-156.336.1000106.4S215S215-N217 PolarHBondContact O-N 3.18Å
218K27Very low29.9Very low196 Ų196154.5 Ų154.585%0.85283%0.83SS**  trans-110.3123165.2-107-178.2177.8-179.80108.4D216D216-K218 PolarHBondContact O-N 3.15Å
219E31.4Very low29.8Very low189 Ų189152.8 Ų152.888%0.88383%0.83SS**  trans-60153.2170.2-77.2174.995.900111.8
220N29.3Very low30.5Very low135 Ų135152.7 Ų152.772%0.72283%0.826SS**  trans-26.8154.2175.7-15831.4000117.9Q222N220-Q222 PolarHBondContact OD1-N 3.35Å
221P39.4Very low31.1Very low109 Ų109153.9 Ų153.971%0.70883%0.826SS**  -138.1155.598.534.5-19.8000115.5
222Q29.5Very low31.5Very low153 Ų153151.8 Ų151.872%0.71581%0.814SS**  trans6.4130.6167.6-93.6112.9-50.500120N220N220-Q222 PolarHBondContact OD1-N 3.35Å
223Q29.6Very low32.1Very low198 Ų198144.5 Ų144.593%0.92581%0.806SS**  trans-133.2119.4132.4-90-170.7-12.400111.9
224E28.6Very low32.9Very low183 Ų183141.9 Ų141.986%0.85580%0.8SS**  trans-55.9152160.8-67-111.4126.600112.2
225G31Very low33Very low82 Ų82137.2 Ų137.285%0.84580%0.801SS**  trans87.968.7147.900000118.4
226A27.9Very low33.2Very low100 Ų100136.2 Ų136.283%0.82680%0.799SS**  trans-138.5106.9149.300000109.9G228A226-G228 PolarHBondContact O-N 3.41Å
227K31.2Very low33.2Very low220 Ų220133.7 Ų133.796%0.95781%0.806SS**  trans-58.8124.7178.7-64175.5178.6178.40110.2
228G34Very low33.1Very low78 Ų78137 Ų13780%0.80481%0.806SS**  trans68.657.5148.900000118.8A226A226-G228 PolarHBondContact O-N 3.41Å
229A34.5Very low33.1Very low101 Ų101133.8 Ų133.884%0.83581%0.808SS**  trans-93.3104.915900000109.6
230K41.4Very low33.1Very low193 Ų193134.1 Ų134.184%0.83981%0.807SS**  trans-64.4132.5177-67.9-179.2178.9-179.40109.6C232K230-C232 PolarHBondContact O-N 3.3Å
231P42.6Very low33Very low116 Ų116130.9 Ų130.975%0.75381%0.805SS**  trans-61.2134.8170.225.1-31.3000109.3A233P231-A233 VanDerWaalsContact C-N 3.29Å; P231-A233 PolarHBondContact O-N 2.79Å
232C37.9Very low32.6Very low78 Ų78133.8 Ų133.853%0.52781%0.814SS.*  trans-68.290.8170.1-73.20000108.9K230K230-C232 PolarHBondContact O-N 3.3Å
233A42.3Very low32.4Very low93 Ų93129.7 Ų129.777%0.76981%0.814SS**  trans-75.3119.2171.100000109P231P231-A233 VanDerWaalsContact C-N 3.29Å; P231-A233 PolarHBondContact O-N 2.79Å
234V41Very low32.3Very low117 Ų117127.9 Ų127.971%0.70981%0.809SS**  trans-86.4112.2166.3-172.20000106A236V234-A236 PolarHBondContact O-N 3.04Å; V234-A236 VanDerWaalsContact O-N 3.11Å
235S29.5Very low32.3Very low120 Ų120127.7 Ų127.784%0.83981%0.808SS**  trans-62.9107.9-178.643.30000111.4
236A31.2Very low32Very low97 Ų97129 Ų12980%0.80281%0.805SS**  trans-93.4103.8169.400000109.4V234 R238V234-A236 PolarHBondContact O-N 3.04Å; V234-A236 VanDerWaalsContact O-N 3.11Å; A236-R238 PolarHBondContact O-N 3.32Å
237G26.3Very low32.3Very low85 Ų85130.4 Ų130.488%0.87681%0.805SS**  trans-70.7122.9172.500000110.8
238R28.6Very low32.2Very low235 Ų235128.2 Ų128.289%0.88780%0.799SS**  trans-126.3103.6174.6-153.9178.2-165.9-1574.7107.9A236A236-R238 PolarHBondContact O-N 3.32Å
239S27.1Very low32.5Very low127 Ų127128.5 Ų128.589%0.88879%0.786SS**  trans-79.9123.8176.3-59.80000110.8
240K31.6Very low32.2Very low197 Ų197134.8 Ų134.886%0.85779%0.788SS**  trans-123138.7156.3-85.9-172173.1-173.60107.3
241G28.5Very low31.4Very low66 Ų66128.9 Ų128.968%0.6878%0.782SS**  trans-83.8-161.7-172.800000115.9
242N29.5Very low30.7Very low170 Ų170128.6 Ų128.691%0.90979%0.789SS**  trans88116.9-165.5-53.7-7.9000110.6
243G26.3Very low30.2Very low68 Ų68132 Ų13270%0.70180%0.802SS**  cis102.9100.928.900000107.9
244L28.1Very low29.6Very low159 Ų159135.2 Ų135.283%0.83280%0.804SS**  trans171.4118.1150.2-93.3152.9000111.9
245Q27.2Very low29Very low179 Ų179135.3 Ų135.384%0.83681%0.809SS**  trans35.5124.9143.5-85.1146.90.800122.9
246S25.1Very low28.9Very low111 Ų111138.3 Ų138.378%0.77681%0.81SS**  trans-57.1166.6153.5-450000112.3
247P35.5Very low29.5Very low128 Ų128138.7 Ų138.783%0.83180%0.804SS**  -139.1153.679.127.6-7.1000115.7
248E28.2Very low29.5Very low175 Ų175146.4 Ų146.482%0.81881%0.807SS**  trans-50.1166.4157.1-84-140.8131.300113
249P39.6Very low29.4Very low83 Ų83143 Ų14354%0.53981%0.806SS.*  cis-159.3176.949.543.6-21.2000120.6
250R28Very low29.3Very low233 Ų233142.8 Ų142.888%0.87980%0.804SS**  trans68.2135152.7-76.2172.1-94.1-1153.7116.4
251G25.4Very low29.2Very low69 Ų69144.7 Ų144.771%0.71181%0.806SS**  cis151.5149.69.100000108.1
252A27.3Very low29.2Very low110 Ų110152.3 Ų152.391%0.90981%0.814SS**  trans66.9154.5168.100000117.7
253N28.1Very low29.1Very low150 Ų150153.1 Ų153.180%0.80281%0.813SS**  cis-167.2159.4-29-170.4-0.4000103.9
254M30.4Very low29.2Very low161 Ų161155.2 Ų155.279%0.79381%0.811SS**  trans-48.5149.7177.4-65-75.3160.200115
255S27.3Very low29.2Very low119 Ų119152.6 Ų152.683%0.83281%0.807SS**  158.9124.9124.5-63.70000112.7
256E27.6Very low29.4Very low182 Ų182149.9 Ų149.985%0.8580%0.804SS**  trans-66.2-168.7158.5-59.4-165.8108.600111.5
257P43.3Very low29.8Very low105 Ų105150.1 Ų150.168%0.68280%0.803SS**  cis-131.7173.4-16.522.11.9000113
258R27.2Very low29.4Very low247 Ų247151 Ų15193%0.93280%0.801SS**  177.4140.4126-98.7174.2-165.1-123.93.2113.9
259L26.1Very low29.4Very low165 Ų165147 Ų14786%0.86480%0.798SS**  trans-66.3142.6179.9-62154.1000112.9
260S25.8Very low28.8Very low122 Ų122151.3 Ų151.385%0.85381%0.811SS**  171.3121.4120.2-79.80000111.2
261R29.6Very low28.8Very low236 Ų236149.5 Ų149.589%0.89181%0.809SS**  161.8119.2107-161.5169.6-151.8-132.13.1109.7
262R27.8Very low29Very low226 Ų226152.1 Ų152.185%0.85381%0.814SS**  trans-57137.4169.8-77.2175.1165.6-154-3111
263Q27.1Very low28.8Very low188 Ų188156.7 Ų156.788%0.87981%0.814SS**  trans-135.3140.5135.6-77.2-138.819.600108.9
264V28.6Very low28.8Very low111 Ų111154.2 Ų154.267%0.67381%0.814SS**  trans-113.5122.4-170169.30000108.7
265S28.8Very low28.9Very low105 Ų105152.8 Ų152.873%0.73481%0.805SS**  trans72.3144.8147-620000119.9
266P30.8Very low28.8Very low121 Ų121155.9 Ų155.979%0.78680%0.8SS**  -132.3168.752.731.7-10.7000117.1
267P33.5Very low29.1Very low116 Ų116154.1 Ų154.175%0.75379%0.792SS**  trans-86.9164.8-17536.5-32.8000111.8
268N27.1Very low28.5Very low147 Ų147155.5 Ų155.579%0.78678%0.783SS**  trans102.196.2164.7-154.316.1000116.1
269A27.2Very low28.9Very low92 Ų92151.9 Ų151.976%0.7678%0.777SS**  trans-151.1124.5141.300000107.8K271A269-K271 PolarHBondContact O-N 3.21Å
270Q28.3Very low29.1Very low173 Ų173148.1 Ų148.181%0.80876%0.763SS**PPolyproline II helixtrans-51.3128.7-175-73.6112.7-14.400112.7
271K27.6Very low29.3Very low194 Ų194152.1 Ų152.184%0.84376%0.76SS**PPolyproline II helixtrans-66.5126161.5-67.2177.7179.8179.70107.9A269 F273A269-K271 PolarHBondContact O-N 3.21Å; K271-F273 PolarHBondContact O-N 3.3Å
272P29.2Very low29.4Very low124 Ų124145.3 Ų145.381%0.80574%0.744SS**PPolyproline II helixtrans-67.3129.3170.725.2-28.4000109A274P272-A274 PolarHBondContact O-N 2.95Å
273F24.1Very low29.3Very low206 Ų206139.8 Ų139.890%0.90473%0.728SS**  trans-43.1125.7172.8-93.4-108.4000110.9K271 H275K271-F273 PolarHBondContact O-N 3.3Å; F273-H275 PolarHBondContact O-N 3.08Å
274A28Very low29.5Very low99 Ų99138.6 Ų138.682%0.81872%0.717SS**  trans-57.6107.1165.100000108.1P272 Y276P272-A274 PolarHBondContact O-N 2.95Å; A274-Y276 VanDerWaalsContact C-N 3.35Å; A274-Y276 PolarHBondContact O-N 3.48Å
275H31.9Very low29.4Very low130 Ų130139.5 Ų139.560%0.60272%0.716SS**  trans-65.796.2177.1-178.8-78000108.5F273 Q277F273-H275 PolarHBondContact O-N 3.08Å; H275-Q277 PolarHBondContact O-N 3.39Å
276Y26.2Very low29.3Very low185 Ų185137.9 Ų137.973%0.72571%0.705SS**  trans-61.597.1172.6-162.5-83.8000107.7A274 R278A274-Y276 VanDerWaalsContact C-N 3.35Å; A274-Y276 PolarHBondContact O-N 3.48Å; Y276-R278 HydrophobicContact CD1-CG 3.81Å; Y276-R278 HydrophobicContact CE1-CG 3.95Å; Y276-R278 PolarHBondContact O-N 3.02Å
277Q32.6Very low29Very low145 Ų145136.4 Ų136.468%0.67870%0.698SS**  trans-65.187.1172-81176.4-14.700108.4H275 H279H275-Q277 PolarHBondContact O-N 3.39Å; Q277-H279 PolarHBondContact O-N 3.34Å
278R31.1Very low28.7Very low133 Ų133136 Ų13650%0.50270%0.695SS.*  trans-65.5102.6161.8-87.5177.1-179.2128-1106.7Y276 C280Y276-R278 HydrophobicContact CD1-CG 3.81Å; Y276-R278 HydrophobicContact CE1-CG 3.95Å; Y276-R278 PolarHBondContact O-N 3.02Å; R278-C280 PolarHBondContact O-N 2.8Å
279H35Very low28.6Very low171 Ų171137.5 Ų137.579%0.79270%0.702SS**  trans-59.889.7159.4-76.1-86.9000108.2Q277 R281Q277-H279 PolarHBondContact O-N 3.34Å; H279-R281 VanDerWaalsContact C-N 3.32Å; H279-R281 PolarHBondContact O-N 3.35Å
280C30.1Very low28.5Very low86 Ų86141.2 Ų141.258%0.58170%0.701SS**  trans-66.799.7161.9-89.20000106.7R278 V282R278-C280 PolarHBondContact O-N 2.8Å; C280-V282 PolarHBondContact O-N 3.01Å
281R31.7Very low28.4Very low207 Ų207138.5 Ų138.578%0.78170%0.701SS**  trans-62.281163.5-171.1172.1177.2-174.4-8.3107.7H279 E283H279-R281 VanDerWaalsContact C-N 3.32Å; H279-R281 PolarHBondContact O-N 3.35Å; R281-E283 HydrophobicContact CG-CG 4.44Å; R281-E283 IonicContact CZ-OE1 2.69Å; R281-E283 IonicContact NE-OE1 2.73Å; R281-E283 PolarHBondContact NE-OE1 3.36Å; R281-E283 IonicContact NH2-OE1 3.4Å; R281-E283 PolarHBondContact NH2-OE1 3.41Å; R281-E283 PolarHBondContact O-N 3.48Å
282V30.6Very low28.3Very low92 Ų92136.4 Ų136.456%0.55869%0.694SS**  trans-68.894.7160.8-178.20000103.9C280 Y284C280-V282 PolarHBondContact O-N 3.01Å; V282-Y284 PolarHBondContact O-N 3.41Å
283E26.2Very low28.5Very low111 Ų111136.4 Ų136.452%0.51969%0.694SS.*  trans-50.894.5164.4-79.5-69.3137.500107.1R281 I285R281-E283 HydrophobicContact CG-CG 4.44Å; R281-E283 IonicContact CZ-OE1 2.69Å; R281-E283 IonicContact NE-OE1 2.73Å; R281-E283 PolarHBondContact NE-OE1 3.36Å; R281-E283 IonicContact NH2-OE1 3.4Å; R281-E283 PolarHBondContact NH2-OE1 3.41Å; R281-E283 PolarHBondContact O-N 3.48Å; E283-I285 PolarHBondContact O-N 3.38Å
284Y30.5Very low28.6Very low163 Ų163134.7 Ų134.764%0.63969%0.693SS**  trans-66.795.7161.3-179-114.2000104.3V282 S286V282-Y284 PolarHBondContact O-N 3.41Å; Y284-S286 WeakPolarHBondContact CD1-OG 3.32Å; Y284-S286 WeakPolarHBondContact CE1-OG 3.43Å; Y284-S286 PolarHBondContact O-N 3.03Å
285I26.7Very low28.6Very low129 Ų129141.5 Ų141.566%0.66270%0.698SS**  trans-66.975.5164.2-52.8176000106.1E283 S287E283-I285 PolarHBondContact O-N 3.38Å; I285-S287 PolarHBondContact O-N 3.35Å; I285-S287 VanDerWaalsContact O-N 3.11Å
286S27.3Very low28.4Very low72 Ų72143.9 Ų143.950%0.50371%0.709SS.*  trans-7088.5147.627.50000106.1Y284 P288Y284-S286 WeakPolarHBondContact CD1-OG 3.32Å; Y284-S286 WeakPolarHBondContact CE1-OG 3.43Å; Y284-S286 PolarHBondContact O-N 3.03Å; S286-P288 WeakPolarHBondContact O-CD 3.43Å
287S23.5Very low28.6Very low90 Ų90142.7 Ų142.763%0.62972%0.715SS**  trans-52.4123.5155.6-56.90000107.1I285 L289I285-S287 PolarHBondContact O-N 3.35Å; I285-S287 VanDerWaalsContact O-N 3.11Å; S287-L289 PolarHBondContact O-N 3.12Å; S287-L289 VanDerWaalsContact O-N 3.14Å
288P27.6Very low28.4Very low108 Ų108145.4 Ų145.470%0.70172%0.724SS**  trans-61120.5167.5-14.527.9000106.5S286 K290S286-P288 WeakPolarHBondContact O-CD 3.43Å; P288-K290 PolarHBondContact O-N 3.33Å
289L25.6Very low28.4Very low177 Ų177148.7 Ų148.793%0.92774%0.742SS**  trans-62.190.7162.9-76.3166.4000106.7S287 S291S287-L289 PolarHBondContact O-N 3.12Å; S287-L289 VanDerWaalsContact O-N 3.14Å; L289-S291 PolarHBondContact O-N 2.85Å; L289-S291 VanDerWaalsContact O-N 3.15Å
290K23.8Very low28Very low170 Ų170146.4 Ų146.474%0.73975%0.745SS**  trans-67.1105.8163.3-74.2-178179.4-179.70106.1P288 H292P288-K290 PolarHBondContact O-N 3.33Å; K290-H292 PolarHBondContact O-N 3.45Å; K290-H292 VanDerWaalsContact O-N 3.1Å
291S26.9Very low28.3Very low116 Ų116152 Ų15281%0.81176%0.76SS**  trans-66.5101.5164.751.10000108.2L289L289-S291 PolarHBondContact O-N 2.85Å; L289-S291 VanDerWaalsContact O-N 3.15Å
292H26.3Very low28.1Very low151 Ų151146.1 Ų146.170%0.69976%0.763SS**PPolyproline II helixtrans-83.6141.2161.1-79.3-84.6000109K290 L294K290-H292 PolarHBondContact O-N 3.45Å; K290-H292 VanDerWaalsContact O-N 3.1Å; H292-L294 PolarHBondContact O-N 2.84Å
293P31.8Very low28.1Very low124 Ų124145.8 Ų145.881%0.80578%0.778SS**PPolyproline II helixtrans-69.2129.2179.9-11.125.9000110.6R295P293-R295 PolarHBondContact O-N 3.43Å
294L27.4Very low28.5Very low170 Ų170150.3 Ų150.389%0.8980%0.796SS**PPolyproline II helixtrans-72.9124.5170.9-73.6169.5000109.4H292 E296H292-L294 PolarHBondContact O-N 2.84Å; L294-E296 PolarHBondContact O-N 2.99Å
295R27.8Very low28.4Very low242 Ų242154.6 Ų154.691%0.91381%0.811SS**PPolyproline II helixtrans-61.4128.1167.4-93.2-179.2174.6-165.1-1.6109.7P293 L297P293-R295 PolarHBondContact O-N 3.43Å; R295-L297 PolarHBondContact O-N 3.45Å
296E28.3Very low28.6Very low180 Ų180153.7 Ų153.784%0.84182%0.816SS**  trans-54.4110.9171.1-71.7-79.5136.900111.4L294L294-E296 PolarHBondContact O-N 2.99Å
297L30.3Very low28.9Very low160 Ų160158.6 Ų158.684%0.83884%0.836SS**  trans-100.7106161.9-129.383.9000108.4R295 K299R295-L297 PolarHBondContact O-N 3.45Å; L297-K299 PolarHBondContact O-N 3.38Å
298K28Very low29.3Very low202 Ų202158.8 Ų158.888%0.87884%0.837SS**PPolyproline II helixtrans-56.5122.3173.2-69.1177.9177.1176.40109.8
299K30.2Very low29.5Very low202 Ų202160.5 Ų160.588%0.87884%0.84SS**PPolyproline II helixtrans-102.2121.2165.8-78.2-176.2177.5-179.70110.3L297L297-K299 PolarHBondContact O-N 3.38Å
300S27.9Very low30Very low122 Ų122162.4 Ų162.485%0.85384%0.835SS**PPolyproline II helixtrans-77154.9167.1-174.70000111.1
301K35.3Very low30.8Very low205 Ų205162 Ų16289%0.89184%0.84SS**PPolyproline II helixtrans-74.9154.5-167.5-64.5168.21741730113.2
302G28.2Very low31.9Very low82 Ų82165.2 Ų165.285%0.84584%0.842SS**  trans162.7128.4150.200000116
303G29.8Very low32.7Very low85 Ų85166.6 Ų166.688%0.87685%0.849SS**  trans107.987.7150.300000117.5
304K35.1Very low33.5Very low207 Ų207169.5 Ų169.590%0.986%0.857SS**  trans-75.2129.4161.2-63.4174.1179.5177.20109.5
305R29.3Very low34.3Very low252 Ų252164.5 Ų164.595%0.95185%0.847SS**  trans-143.9122.9146.1-71.1-166.6178.6164.3-0.4109.4
306S30.5Very low35.1Very low110 Ų110162.2 Ų162.277%0.76985%0.846SS**  trans-88.5127174.9177.10000108.5
307L32.8Very low35.4Very low176 Ų176161.8 Ų161.892%0.92184%0.844SS**  trans-142.2131.2148.7-82.2-179.2000109.2
308S31.7Very low36.3Very low93 Ų93159.7 Ų159.765%0.6584%0.84SS**  trans-80.8135.3-172.744.20000113.9
309N32Very low36.8Very low144 Ų144155.5 Ų155.577%0.7783%0.831SS**  168.7110.6125.8-91.3-31.3000109.1
310R37.6Very low37.4Very low218 Ų218157.2 Ų157.282%0.82383%0.832SS**  69.589.988.5-167.4-171.3-69.2-131.51.5112.7
311L38.8Very low38.1Very low160 Ų160155.3 Ų155.384%0.83882%0.819SS**  trans-156.3141.1131.2-130.279.3000109.7H313L311-H313 PolarHBondContact O-N 2.91Å
312Q50.5Low39.2Very low184 Ų184150 Ų15086%0.8681%0.813SS**  trans-68.1121-169.7-60.8154.72100110.9
313H43.1Very low41.2Very low181 Ų181154.1 Ų154.184%0.83881%0.808SS**  trans-131.5109.9160.1-87-67.2000109.7L311 G315L311-H313 PolarHBondContact O-N 2.91Å; H313-G315 PolarHBondContact O-N 3.24Å
314L49.3Very low43.6Very low184 Ų184155.5 Ų155.596%0.96379%0.789SS**  trans-55.5128.8166.9-73.6159.3000109.9
315G44.6Very low46Very low66 Ų66149.9 Ų149.968%0.6877%0.774SS**SBendtrans104.912.8141.700000119.9H313H313-G315 PolarHBondContact O-N 3.24Å
316H43.9Very low48.8Very low193 Ų193142.3 Ų142.389%0.89475%0.746SS**  trans-119.775166.8-79.4-15.8000112.1
317Q35.1Very low51.6Low171 Ų171143.2 Ų143.280%0.79974%0.736SS**  trans-74125.7156.1-89.2-111.516.800109T319Q317-T319 PolarHBondContact O-N 3.12Å
318P48.5Very low54.4Low116 Ų116134.8 Ų134.875%0.75369%0.692SS**  trans-7297.7168.4-9.725.6000109R320P318-R320 PolarHBondContact O-N 2.73Å
319T38.3Very low57.1Low115 Ų115136.4 Ų136.471%0.70669%0.694SS**  trans-72100.3172.652.60000109.5Q317 S321Q317-T319 PolarHBondContact O-N 3.12Å; T319-S321 PolarHBondContact O-N 2.69Å
320R42.8Very low59.6Low238 Ų238134.6 Ų134.690%0.89868%0.684SS**SBendtrans-55130.3151.9-76172.366110.7-3.3107.3P318P318-R320 PolarHBondContact O-N 2.73Å
321S43.5Very low62.1Low82 Ų82126.7 Ų126.757%0.57366%0.662SS**SBendtrans80.4103.1-170.275.80000114.9T319 K323T319-S321 PolarHBondContact O-N 2.69Å; S321-K323 PolarHBondContact O-N 3.43Å
322A58.1Low64.4Low92 Ų92120.7 Ų120.776%0.7664%0.639SS**  trans-69.672.3169.400000110K324A322-K324 PolarHBondContact O-N 3.4Å; A322-K324 VanDerWaalsContact O-N 3.16Å
323K69.4Low66.1Low170 Ų170118 Ų11874%0.73962%0.624SS**  trans-68112.3164.9-67.8-175.6-179-179.30106.1S321 P325S321-K323 PolarHBondContact O-N 3.43Å; K323-P325 VanDerWaalsContact C-CD 3.42Å; K323-P325 WeakPolarHBondContact O-CD 3.38Å
324K80.8Confident68.4Low113 Ų113111.5 Ų111.549%0.49160%0.599SS.*  trans-98.282.2170.4-72170.5166.3-170.90106.9A322 Y326 S334 F335A322-K324 PolarHBondContact O-N 3.4Å; A322-K324 VanDerWaalsContact O-N 3.16Å; K324-Y326 PolarHBondContact O-N 3.26Å; K324-S334 WeakPolarHBondContact CD-O 3.45Å; K324-S334 WeakPolarHBondContact O-CB 3.46Å; K324-F335 CarbonylContact C-O 3.56Å; K324-F335 VanDerWaalsContact C-O 3.26Å; K324-F335 VanDerWaalsContact CA-O 3.32Å; K324-F335 WeakPolarHBondContact CA-O 3.45Å
325P84.7Confident70.3Confident90 Ų90104.5 Ų104.558%0.58456%0.561SS**  trans-71.1-16.7-167.828.8-36000113.1K323 K327K323-P325 VanDerWaalsContact C-CD 3.42Å; K323-P325 WeakPolarHBondContact O-CD 3.38Å; P325-K327 PolarHBondContact O-N 3.35Å
326Y88.8Confident72.5Confident93 Ų93104.5 Ų104.537%0.36555%0.548SS..EExtended strand (participates in β ladder)trans-97.996.6-174.5-57.7-75000110.8K324 S334 F335 T336 N338K324-Y326 PolarHBondContact O-N 3.26Å; Y326-S334 CarbonylContact O-C 3.49Å; Y326-S334 WeakPolarHBondContact O-CA 3.33Å; Y326-F335 PolarHBondContact N-O 2.82Å; Y326-F335 PolarHBondContact O-N 2.78Å; Y326-T336 WeakPolarHBondContact CD2-O 3.44Å; Y326-T336 VanDerWaalsContact CE2-O 3.28Å; Y326-T336 WeakPolarHBondContact CE2-O 3.29Å; Y326-N338 HydrophobicContact CD1-CB 3.79Å; Y326-N338 VanDerWaalsContact CD2-N 3.29Å; Y326-N338 HydrophobicContact CE1-CB 3.6Å; Y326-N338 HydrophobicContact CE2-CB 4.4Å; Y326-N338 HydrophobicContact CG-CB 4.27Å
327K89.3Confident74.6Confident128 Ų128103 Ų10356%0.55753%0.534SS*.EExtended strand (participates in β ladder)trans-90.9141.2179-169.1177175.4-173.30111.4P325 K333 L341P325-K327 PolarHBondContact O-N 3.35Å; K327-K333 CarbonylContact C-O 3.5Å; K327-L341 WeakPolarHBondContact O-CD2 3.37Å
328C90.9Very high77Confident0 Ų098 Ų980%051%0.513CS..  trans-82.8124.5168.71780000109.8D330 C331 G332 K333 F335 L341 H348C328-D330 VanDerWaalsContact C-N 3.31Å; C328-C331 VanDerWaalsContact SG-SG 3.67Å; C328-G332 WeakPolarHBondContact O-CA 3.42Å; C328-G332 PolarHBondContact O-N 2.91Å; C328-K333 WeakPolarHBondContact CB-O 3.44Å; C328-K333 PolarHBondContact N-O 3.5Å; C328-F335 HydrophobicContact CB-CE2 4.25Å; C328-L341 HydrophobicContact CB-CD1 3.64Å; C328-H348 PolarHBondContact SG-NE2 2.85Å
329D89.8Confident78.8Confident127 Ų12796.2 Ų96.268%0.67950%0.503SS*.THydrogen-bonded Turntrans-68.6-33.4-179.5-47.8-58.1000111.6K345D329-K345 IonicContact OD2-NZ 2.98Å; D329-K345 PolarHBondContact OD2-NZ 3.13Å
330D84.8Confident81.1Confident105 Ų10593 Ų9356%0.56148%0.48SS*.THydrogen-bonded Turntrans-76.4-30.3-175.8-56.5-52.8000113.9C328 H348C328-D330 VanDerWaalsContact C-N 3.31Å; D330-H348 HydrophobicContact CB-CB 4.47Å; D330-H348 IonicContact OD2-CD2 3.44Å; D330-H348 IonicContact OD2-CG 3.12Å
331C89Confident83.3Confident53 Ų5382.3 Ų82.336%0.35844%0.441SS..THydrogen-bonded Turntrans-1386.7-176.672.80000115.5C328 K333 H344 H348C328-C331 VanDerWaalsContact SG-SG 3.67Å; C331-K333 PolarHBondContact O-N 2.75Å; C331-H344 PolarHBondContact SG-NE2 3.22Å; C331-H348 PolarHBondContact SG-NE2 3.37Å; C331-H348 VanDerWaalsContact SG-NE2 3.37Å
332G86.4Confident85.3Confident34 Ų3484.8 Ų84.835%0.35144%0.441SS..  trans70.4-2.1176.300000115.9C328 S334C328-G332 WeakPolarHBondContact O-CA 3.42Å; C328-G332 PolarHBondContact O-N 2.91Å; G332-S334 PolarHBondContact O-N 2.87Å
333K87.3Confident86.6Confident126 Ų12684.8 Ų84.855%0.54842%0.422SS..  trans-65.2133.4179.4-71.9179.6-176.2175.20110.8K327 C328 C331 F335K327-K333 CarbonylContact C-O 3.5Å; C328-K333 WeakPolarHBondContact CB-O 3.44Å; C328-K333 PolarHBondContact N-O 3.5Å; C331-K333 PolarHBondContact O-N 2.75Å; K333-F335 HydrophobicContact CB-CE2 3.91Å; K333-F335 HydrophobicContact CB-CZ 3.96Å; K333-F335 WeakPolarHBondContact O-CE2 3.29Å
334S90.3Very high87.5Confident45 Ų4577.6 Ų77.632%0.31539%0.391SS..EExtended strand (participates in β ladder)trans-107141.5-179.1-56.70000111.5K324 Y326 G332K324-S334 WeakPolarHBondContact CD-O 3.45Å; K324-S334 WeakPolarHBondContact O-CB 3.46Å; Y326-S334 CarbonylContact O-C 3.49Å; Y326-S334 WeakPolarHBondContact O-CA 3.33Å; G332-S334 PolarHBondContact O-N 2.87Å
335F89.9Confident87.7Confident37 Ų3775.7 Ų75.716%0.16238%0.383CS..EExtended strand (participates in β ladder)trans-124.1153.6-175.3-59.5-85.4000110.9K324 Y326 C328 K333 E340 L341 H344K324-F335 CarbonylContact C-O 3.56Å; K324-F335 VanDerWaalsContact C-O 3.26Å; K324-F335 VanDerWaalsContact CA-O 3.32Å; K324-F335 WeakPolarHBondContact CA-O 3.45Å; Y326-F335 PolarHBondContact N-O 2.82Å; Y326-F335 PolarHBondContact O-N 2.78Å; C328-F335 HydrophobicContact CB-CE2 4.25Å; K333-F335 HydrophobicContact CB-CE2 3.91Å; K333-F335 HydrophobicContact CB-CZ 3.96Å; K333-F335 WeakPolarHBondContact O-CE2 3.29Å; F335-E340 HydrophobicContact CB-CB 3.96Å; F335-E340 HydrophobicContact CD1-CB 3.78Å; F335-E340 HydrophobicContact CG-CB 4.09Å; F335-L341 HydrophobicContact CB-CB 4.38Å; F335-L341 HydrophobicContact CD2-CB 3.9Å; F335-L341 HydrophobicContact CD2-CD1 3.82Å; F335-L341 HydrophobicContact CD2-CG 4.47Å; F335-L341 HydrophobicContact CE2-CD1 3.99Å; F335-L341 HydrophobicContact CG-CB 4.32Å; F335-H344 HydrophobicContact CE1-CB 3.95Å; F335-H344 HydrophobicContact CE2-CB 3.84Å; F335-H344 AromaticContact CE2-CD2 3.31Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.33Å; F335-H344 AromaticContact CE2-CG 3.6Å; F335-H344 HydrophobicContact CZ-CB 3.43Å; F335-H344 VanDerWaalsContact CZ-CB 3.43Å; F335-H344 AromaticContact CZ-CD2 3.34Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.28Å; F335-H344 AromaticContact CZ-CG 3.17Å; F335-H344 AromaticContact CZ-ND1 3.69Å; F335-H344 AromaticContact CZ-NE2 3.87Å
336T90.4Very high87.8Confident66 Ų6674.9 Ų74.941%0.40537%0.368SS..SBendtrans-77.7-31.7179.7-52.80000110.9Y326 E340Y326-T336 WeakPolarHBondContact CD2-O 3.44Å; Y326-T336 VanDerWaalsContact CE2-O 3.28Å; Y326-T336 WeakPolarHBondContact CE2-O 3.29Å; T336-E340 PolarHBondContact N-OE2 3.38Å
337W88.6Confident87.5Confident162 Ų16275.4 Ų75.461%0.61438%0.38SS*.SBendtrans-126.2147.2179.5-57.5-49.3000113.1S339 E340 L341W337-S339 PolarHBondContact O-N 2.98Å; W337-E340 HydrophobicContact CB-CG 4.26Å; W337-E340 HydrophobicContact CE3-CG 4.11Å; W337-E340 WeakPolarHBondContact O-CB 3.21Å; W337-E340 PolarHBondContact O-N 3.33Å; W337-E340 VanDerWaalsContact O-N 3.1Å; W337-L341 PolarHBondContact O-N 3.42Å
338N86.1Confident87.3Confident66 Ų6673 Ų7335%0.35337%0.371SS..Hα-helixtrans-60.5-34.8176.5-168.711.7000112.1Y326 E340 L341 K342Y326-N338 HydrophobicContact CD1-CB 3.79Å; Y326-N338 VanDerWaalsContact CD2-N 3.29Å; Y326-N338 HydrophobicContact CE1-CB 3.6Å; Y326-N338 HydrophobicContact CE2-CB 4.4Å; Y326-N338 HydrophobicContact CG-CB 4.27Å; N338-E340 VanDerWaalsContact C-N 3.25Å; N338-E340 PolarHBondContact O-N 3.32Å; N338-L341 PolarHBondContact O-N 3.46Å; N338-K342 WeakPolarHBondContact O-CG 3.43Å; N338-K342 PolarHBondContact O-N 3.1Å
339S86.1Confident87Confident79 Ų7977 Ų7755%0.55240%0.395SS*.Hα-helixtrans-60.1-35.7176.355.90000112.4W337 R343W337-S339 PolarHBondContact O-N 2.98Å; S339-R343 VanDerWaalsContact O-CB 3.31Å; S339-R343 WeakPolarHBondContact O-CB 3.43Å; S339-R343 PolarHBondContact O-N 3.49Å
340E86.7Confident86.7Confident46 Ų4672.4 Ų72.422%0.21538%0.379CS..Hα-helixtrans-71.2-42175.5-61.4-174.6138.300111.7F335 T336 W337 N338 R343 H344F335-E340 HydrophobicContact CB-CB 3.96Å; F335-E340 HydrophobicContact CD1-CB 3.78Å; F335-E340 HydrophobicContact CG-CB 4.09Å; T336-E340 PolarHBondContact N-OE2 3.38Å; W337-E340 HydrophobicContact CB-CG 4.26Å; W337-E340 HydrophobicContact CE3-CG 4.11Å; W337-E340 WeakPolarHBondContact O-CB 3.21Å; W337-E340 PolarHBondContact O-N 3.33Å; W337-E340 VanDerWaalsContact O-N 3.1Å; N338-E340 VanDerWaalsContact C-N 3.25Å; N338-E340 PolarHBondContact O-N 3.32Å; E340-R343 PolarHBondContact O-N 3.27Å; E340-H344 VanDerWaalsContact O-CB 3.23Å; E340-H344 WeakPolarHBondContact O-CB 3.49Å; E340-H344 PolarHBondContact O-N 3.35Å
341L88.7Confident86.6Confident15 Ų1572.7 Ų72.78%0.07938%0.376CS..Hα-helixtrans-60.8-49174.1173.861000111.1K327 C328 F335 W337 N338 R343 H344 K345K327-L341 WeakPolarHBondContact O-CD2 3.37Å; C328-L341 HydrophobicContact CB-CD1 3.64Å; F335-L341 HydrophobicContact CB-CB 4.38Å; F335-L341 HydrophobicContact CD2-CB 3.9Å; F335-L341 HydrophobicContact CD2-CD1 3.82Å; F335-L341 HydrophobicContact CD2-CG 4.47Å; F335-L341 HydrophobicContact CE2-CD1 3.99Å; F335-L341 HydrophobicContact CG-CB 4.32Å; W337-L341 PolarHBondContact O-N 3.42Å; N338-L341 PolarHBondContact O-N 3.46Å; L341-R343 VanDerWaalsContact C-N 3.32Å; L341-R343 PolarHBondContact O-N 2.81Å; L341-H344 CarbonylContact O-C 3.57Å; L341-H344 WeakPolarHBondContact O-CA 3.22Å; L341-H344 WeakPolarHBondContact O-CB 3.4Å; L341-H344 PolarHBondContact O-N 3.45Å; L341-K345 HydrophobicContact CD1-CG 4.29Å; L341-K345 WeakPolarHBondContact O-CG 3.43Å; L341-K345 PolarHBondContact O-N 3.17Å
342K86.1Confident86.5Confident134 Ų13476 Ų7658%0.58338%0.381SS*.Hα-helixtrans-57-45.1176.3-74.3-175.8-179.7-175.30111.8N338 H344 K345N338-K342 WeakPolarHBondContact O-CG 3.43Å; N338-K342 PolarHBondContact O-N 3.1Å; K342-H344 VanDerWaalsContact C-N 3.3Å; K342-H344 PolarHBondContact O-N 3.45Å; K342-K345 PolarHBondContact O-N 2.91Å
343R85Confident86.5Confident91 Ų9177.8 Ų77.834%0.34339%0.387SS..Hα-helixtrans-64.9-35.3175.7-178.6176.867175.1-5.8112.2S339 E340 L341 R346 R365S339-R343 VanDerWaalsContact O-CB 3.31Å; S339-R343 WeakPolarHBondContact O-CB 3.43Å; S339-R343 PolarHBondContact O-N 3.49Å; E340-R343 PolarHBondContact O-N 3.27Å; L341-R343 VanDerWaalsContact C-N 3.32Å; L341-R343 PolarHBondContact O-N 2.81Å; R343-R346 WeakPolarHBondContact O-CB 3.48Å; R343-R365 HydrophobicContact CG-CG 4.22Å
344H87.6Confident86.6Confident20 Ų2075.3 Ų75.39%0.09337%0.374CS..Hα-helixtrans-70.7-37.9176.9171.665.9000112.1C331 F335 E340 L341 K342 R346 V347 H348C331-H344 PolarHBondContact SG-NE2 3.22Å; F335-H344 HydrophobicContact CE1-CB 3.95Å; F335-H344 HydrophobicContact CE2-CB 3.84Å; F335-H344 AromaticContact CE2-CD2 3.31Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.33Å; F335-H344 AromaticContact CE2-CG 3.6Å; F335-H344 HydrophobicContact CZ-CB 3.43Å; F335-H344 VanDerWaalsContact CZ-CB 3.43Å; F335-H344 AromaticContact CZ-CD2 3.34Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.28Å; F335-H344 AromaticContact CZ-CG 3.17Å; F335-H344 AromaticContact CZ-ND1 3.69Å; F335-H344 AromaticContact CZ-NE2 3.87Å; E340-H344 VanDerWaalsContact O-CB 3.23Å; E340-H344 WeakPolarHBondContact O-CB 3.49Å; E340-H344 PolarHBondContact O-N 3.35Å; L341-H344 CarbonylContact O-C 3.57Å; L341-H344 WeakPolarHBondContact O-CA 3.22Å; L341-H344 WeakPolarHBondContact O-CB 3.4Å; L341-H344 PolarHBondContact O-N 3.45Å; K342-H344 VanDerWaalsContact C-N 3.3Å; K342-H344 PolarHBondContact O-N 3.45Å; H344-R346 PolarHBondContact O-N 2.92Å; H344-R346 VanDerWaalsContact O-N 3.11Å; H344-V347 VanDerWaalsContact O-CB 3.24Å; H344-V347 WeakPolarHBondContact O-CB 3.47Å; H344-V347 WeakPolarHBondContact O-CG2 3.23Å; H344-V347 PolarHBondContact O-N 3.24Å; H344-H348 AromaticContact CE1-NE2 3.78Å; H344-H348 AromaticContact NE2-NE2 3.38Å; H344-H348 PolarHBondContact NE2-NE2 2.99Å
345K85.1Confident86.5Confident73 Ų7376.7 Ų76.732%0.31738%0.381SS..Hα-helixtrans-56.1-28.4175.2-73.9-167.8172.5-162.90112.7D329 L341 K342 V347 H348 T349D329-K345 IonicContact OD2-NZ 2.98Å; D329-K345 PolarHBondContact OD2-NZ 3.13Å; L341-K345 HydrophobicContact CD1-CG 4.29Å; L341-K345 WeakPolarHBondContact O-CG 3.43Å; L341-K345 PolarHBondContact O-N 3.17Å; K342-K345 PolarHBondContact O-N 2.91Å; K345-V347 PolarHBondContact O-N 2.94Å; K345-V347 VanDerWaalsContact O-N 3.15Å; K345-H348 WeakPolarHBondContact O-CB 3.43Å; K345-H348 PolarHBondContact O-N 3.37Å; K345-T349 PolarHBondContact O-N 3.26Å; K345-T349 PolarHBondContact O-OG1 2.92Å
346R86Confident86.4Confident72 Ų7275 Ų7527%0.27237%0.374SS..Hα-helixtrans-59.4-23.2172.1-59.8-177.2-173.6167.7-0.2114.5R343 H344 H348 T349 G350 E351 G364R343-R346 WeakPolarHBondContact O-CB 3.48Å; H344-R346 PolarHBondContact O-N 2.92Å; H344-R346 VanDerWaalsContact O-N 3.11Å; R346-H348 VanDerWaalsContact C-N 3.32Å; R346-T349 WeakPolarHBondContact CA-OG1 3.35Å; R346-G350 WeakPolarHBondContact O-CA 3.38Å; R346-G350 PolarHBondContact O-N 2.86Å; R346-E351 HydrophobicContact CB-CB 4.34Å; R346-E351 HydrophobicContact CG-CB 4.26Å; R346-E351 PolarHBondContact O-N 3.42Å; R346-G364 PolarHBondContact NH1-O 3.41Å
347V84.2Confident86.4Confident104 Ų10475.9 Ų75.963%0.6340%0.396SS*.Hα-helixtrans-70.6-33.2174.4-178.60000110.8H344 K345H344-V347 VanDerWaalsContact O-CB 3.24Å; H344-V347 WeakPolarHBondContact O-CB 3.47Å; H344-V347 WeakPolarHBondContact O-CG2 3.23Å; H344-V347 PolarHBondContact O-N 3.24Å; K345-V347 PolarHBondContact O-N 2.94Å; K345-V347 VanDerWaalsContact O-N 3.15Å
348H85.1Confident86.1Confident79 Ų7974 Ų7437%0.36639%0.394SS..Hα-helixtrans-80.5-41.3177.4-64-61.4000111.9C328 D330 C331 H344 K345 R346 G350C328-H348 PolarHBondContact SG-NE2 2.85Å; D330-H348 HydrophobicContact CB-CB 4.47Å; D330-H348 IonicContact OD2-CD2 3.44Å; D330-H348 IonicContact OD2-CG 3.12Å; C331-H348 PolarHBondContact SG-NE2 3.37Å; C331-H348 VanDerWaalsContact SG-NE2 3.37Å; H344-H348 AromaticContact CE1-NE2 3.78Å; H344-H348 AromaticContact NE2-NE2 3.38Å; H344-H348 PolarHBondContact NE2-NE2 2.99Å; K345-H348 WeakPolarHBondContact O-CB 3.43Å; K345-H348 PolarHBondContact O-N 3.37Å; R346-H348 VanDerWaalsContact C-N 3.32Å; H348-G350 VanDerWaalsContact C-N 3.32Å
349T83.9Confident86Confident82 Ų8272.5 Ų72.550%0.50339%0.389SS..Hα-helixtrans-79.5-15.6179.662.10000113.4K345 R346 E351K345-T349 PolarHBondContact O-N 3.26Å; K345-T349 PolarHBondContact O-OG1 2.92Å; R346-T349 WeakPolarHBondContact CA-OG1 3.35Å; T349-E351 PolarHBondContact O-N 3.47Å; T349-E351 WeakPolarHBondContact OG1-CG 3.23Å; T349-E351 PolarHBondContact OG1-N 3.34Å
350G83.5Confident86Confident32 Ų3270.7 Ų70.733%0.3338%0.382SS..  trans70.710.4-174.200000113.8R346 H348 R352R346-G350 WeakPolarHBondContact O-CA 3.38Å; R346-G350 PolarHBondContact O-N 2.86Å; H348-G350 VanDerWaalsContact C-N 3.32Å; G350-R352 WeakPolarHBondContact O-CG 3.4Å; G350-R352 PolarHBondContact O-N 3.03Å
351E83.2Confident85.9Confident111 Ų11170.7 Ų70.752%0.51938%0.384SS..  trans-64124.4-179.5-78.8178.2-17200112.1R346 T349 P353R346-E351 HydrophobicContact CB-CB 4.34Å; R346-E351 HydrophobicContact CG-CB 4.26Å; R346-E351 PolarHBondContact O-N 3.42Å; T349-E351 PolarHBondContact O-N 3.47Å; T349-E351 WeakPolarHBondContact OG1-CG 3.23Å; T349-E351 PolarHBondContact OG1-N 3.34Å; E351-P353 WeakPolarHBondContact O-CD 3.36Å
352R86.9Confident85.9Confident122 Ų12270.9 Ų70.946%0.4639%0.386SS..  trans-127.775.7179.7-64.41787993.2-2.4110.2G350 Y354 C362 F363G350-R352 WeakPolarHBondContact O-CG 3.4Å; G350-R352 PolarHBondContact O-N 3.03Å; R352-Y354 PolarHBondContact O-N 3.43Å; R352-C362 HydrophobicContact CB-CB 3.6Å; R352-C362 VanDerWaalsContact NE-C 3.32Å; R352-C362 PolarHBondContact NE-O 2.89Å; R352-C362 PolarHBondContact NH2-O 3.02Å; R352-F363 CarbonylContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.31Å; R352-F363 WeakPolarHBondContact CA-O 3.39Å
353P85.7Confident86Confident72 Ų7265 Ų6547%0.46836%0.361SS..  trans-72.3-8.2-170.527.5-34.4000114.7E351E351-P353 WeakPolarHBondContact O-CD 3.36Å
354Y89.6Confident85.9Confident73 Ų7361.6 Ų61.629%0.28635%0.354SS..EExtended strand (participates in β ladder)trans-108.3110.4-175.4-55.9-76.7000111.1R352 C362 F363 Q366R352-Y354 PolarHBondContact O-N 3.43Å; Y354-C362 CarbonylContact O-C 3.55Å; Y354-C362 VanDerWaalsContact O-CA 3.3Å; Y354-C362 WeakPolarHBondContact O-CA 3.08Å; Y354-F363 WeakPolarHBondContact CD2-O 3.4Å; Y354-F363 PolarHBondContact N-O 2.8Å; Y354-F363 PolarHBondContact O-N 2.95Å; Y354-Q366 HydrophobicContact CD1-CB 3.88Å; Y354-Q366 HydrophobicContact CD1-CG 4.22Å; Y354-Q366 VanDerWaalsContact CD2-N 3.28Å; Y354-Q366 HydrophobicContact CE1-CB 3.69Å; Y354-Q366 HydrophobicContact CE1-CG 4.22Å; Y354-Q366 HydrophobicContact CE2-CB 4.33Å; Y354-Q366 VanDerWaalsContact CE2-N 3.29Å; Y354-Q366 HydrophobicContact CG-CB 4.29Å
355T87.8Confident85.8Confident75 Ų7564.6 Ų64.646%0.4636%0.364SS..EExtended strand (participates in β ladder)trans-103.4138.1-177-51.10000111.7N361 C362T355-N361 CarbonylContact C-O 3.56Å; T355-N361 WeakPolarHBondContact CA-O 3.22Å; T355-C362 PolarHBondContact OG1-SG 2.98Å; T355-C362 VanDerWaalsContact OG1-SG 3.37Å
356C88.8Confident86Confident1 Ų166 Ų661%0.00737%0.372CS..  trans-76.4121.1169.7-177.10000109.8E358 G360 N361 F363 L369C356-E358 PolarHBondContact O-N 2.76Å; C356-G360 VanDerWaalsContact O-CA 3.24Å; C356-G360 WeakPolarHBondContact O-CA 3.31Å; C356-G360 PolarHBondContact O-N 2.93Å; C356-N361 HydrophobicContact CB-CB 4.45Å; C356-N361 PolarHBondContact N-O 3.28Å; C356-F363 HydrophobicContact CB-CE2 4.32Å; C356-L369 HydrophobicContact CB-CD1 3.63Å
357G89.6Confident86Confident84 Ų8466.3 Ų66.387%0.86639%0.385SS*.THydrogen-bonded Turntrans-65-23.9177.300000113.9
358E83Confident86.2Confident122 Ų12263.8 Ų63.857%0.5737%0.37SS*.THydrogen-bonded Turntrans-86.4-33.7-175.7-62.2-177.7-139.300113.6C356 H376C356-E358 PolarHBondContact O-N 2.76Å; E358-H376 WeakPolarHBondContact OE2-CB 3.4Å; E358-H376 IonicContact OE2-CD2 2.79Å; E358-H376 IonicContact OE2-CG 3.51Å; E358-H376 IonicContact OE2-ND1 3.32Å; E358-H376 PolarHBondContact OE2-ND1 3.18Å
359C84.7Confident86.5Confident36 Ų3661 Ų6124%0.24336%0.357CS..THydrogen-bonded Turntrans-131.24.9-17666.40000114.9N361 H372 H376C359-N361 PolarHBondContact O-N 2.99Å; C359-N361 PolarHBondContact SG-ND2 3.45Å; C359-H372 PolarHBondContact SG-NE2 3.23Å; C359-H376 PolarHBondContact SG-NE2 3.43Å; C359-H376 VanDerWaalsContact SG-NE2 3.44Å
360G85.3Confident86.7Confident41 Ų4162.9 Ų62.942%0.42336%0.359SS..  trans69.60.7178.400000115.2C356 C362C356-G360 VanDerWaalsContact O-CA 3.24Å; C356-G360 WeakPolarHBondContact O-CA 3.31Å; C356-G360 PolarHBondContact O-N 2.93Å; G360-C362 PolarHBondContact O-N 3.4Å
361N84.4Confident87Confident46 Ų4663.6 Ų63.625%0.24636%0.355CS..  trans-65.6126.9179.3-79.8-42.6000111.2T355 C356 C359 F363T355-N361 CarbonylContact C-O 3.56Å; T355-N361 WeakPolarHBondContact CA-O 3.22Å; C356-N361 HydrophobicContact CB-CB 4.45Å; C356-N361 PolarHBondContact N-O 3.28Å; C359-N361 PolarHBondContact O-N 2.99Å; C359-N361 PolarHBondContact SG-ND2 3.45Å; N361-F363 HydrophobicContact CB-CE2 3.8Å; N361-F363 HydrophobicContact CB-CZ 3.87Å; N361-F363 WeakPolarHBondContact O-CD2 3.34Å; N361-F363 VanDerWaalsContact O-CE2 3.25Å; N361-F363 WeakPolarHBondContact O-CE2 3.5Å
362C88.1Confident87.4Confident18 Ų1859 Ų5912%0.12233%0.333CS..EExtended strand (participates in β ladder)trans-91.6153.2177.8-60.40000110.6R352 Y354 T355 G360R352-C362 HydrophobicContact CB-CB 3.6Å; R352-C362 VanDerWaalsContact NE-C 3.32Å; R352-C362 PolarHBondContact NE-O 2.89Å; R352-C362 PolarHBondContact NH2-O 3.02Å; Y354-C362 CarbonylContact O-C 3.55Å; Y354-C362 VanDerWaalsContact O-CA 3.3Å; Y354-C362 WeakPolarHBondContact O-CA 3.08Å; T355-C362 PolarHBondContact OG1-SG 2.98Å; T355-C362 VanDerWaalsContact OG1-SG 3.37Å; G360-C362 PolarHBondContact O-N 3.4Å
363F87.9Confident87.5Confident11 Ų1156.8 Ų56.85%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-140146.9-179.9-60-85.3000111.4R352 Y354 C356 N361 R365 T368 L369 H372R352-F363 CarbonylContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.31Å; R352-F363 WeakPolarHBondContact CA-O 3.39Å; Y354-F363 WeakPolarHBondContact CD2-O 3.4Å; Y354-F363 PolarHBondContact N-O 2.8Å; Y354-F363 PolarHBondContact O-N 2.95Å; C356-F363 HydrophobicContact CB-CE2 4.32Å; N361-F363 HydrophobicContact CB-CE2 3.8Å; N361-F363 HydrophobicContact CB-CZ 3.87Å; N361-F363 WeakPolarHBondContact O-CD2 3.34Å; N361-F363 VanDerWaalsContact O-CE2 3.25Å; N361-F363 WeakPolarHBondContact O-CE2 3.5Å; F363-R365 VanDerWaalsContact C-N 3.28Å; F363-R365 PolarHBondContact O-N 3.37Å; F363-T368 HydrophobicContact CD1-CG2 3.55Å; F363-T368 HydrophobicContact CE1-CG2 4.13Å; F363-T368 HydrophobicContact CG-CG2 4.35Å; F363-L369 HydrophobicContact CB-CB 4.35Å; F363-L369 HydrophobicContact CD2-CB 3.84Å; F363-L369 HydrophobicContact CD2-CD1 3.73Å; F363-L369 HydrophobicContact CD2-CG 4.37Å; F363-L369 HydrophobicContact CE2-CD1 3.82Å; F363-L369 HydrophobicContact CG-CB 4.26Å; F363-H372 HydrophobicContact CE1-CB 4Å; F363-H372 HydrophobicContact CE2-CB 3.98Å; F363-H372 AromaticContact CE2-CD2 3.52Å; F363-H372 AromaticContact CE2-CG 3.71Å; F363-H372 HydrophobicContact CZ-CB 3.51Å; F363-H372 AromaticContact CZ-CD2 3.49Å; F363-H372 VanDerWaalsContact CZ-CD2 3.49Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.17Å; F363-H372 AromaticContact CZ-CG 3.23Å; F363-H372 AromaticContact CZ-ND1 3.59Å; F363-H372 AromaticContact CZ-NE2 3.93Å
364G83.8Confident87.7Confident19 Ų1956.5 Ų56.520%0.19632%0.318CS..SBendtrans-75.2-14.6176.600000114.4R346R346-G364 PolarHBondContact NH1-O 3.41Å
365R86.5Confident87.7Confident84 Ų8456.9 Ų56.932%0.31732%0.324SS..SBendtrans-139.9139.1-176.3-57.8-179.8-174.3-171.51111.1R343 F363 S367 T368 L369R343-R365 HydrophobicContact CG-CG 4.22Å; F363-R365 VanDerWaalsContact C-N 3.28Å; F363-R365 PolarHBondContact O-N 3.37Å; R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.38Å; R365-T368 WeakPolarHBondContact O-CB 3.43Å; R365-T368 PolarHBondContact O-N 2.93Å; R365-L369 PolarHBondContact O-N 2.88Å
366Q87.4Confident87.7Confident102 Ų10256.7 Ų56.748%0.47732%0.318SS..Hα-helixtrans-62.6-37.8176.7-167.6-1778.700112.3Y354 T368 L369 K370Y354-Q366 HydrophobicContact CD1-CB 3.88Å; Y354-Q366 HydrophobicContact CD1-CG 4.22Å; Y354-Q366 VanDerWaalsContact CD2-N 3.28Å; Y354-Q366 HydrophobicContact CE1-CB 3.69Å; Y354-Q366 HydrophobicContact CE1-CG 4.22Å; Y354-Q366 HydrophobicContact CE2-CB 4.33Å; Y354-Q366 VanDerWaalsContact CE2-N 3.29Å; Y354-Q366 HydrophobicContact CG-CB 4.29Å; Q366-T368 VanDerWaalsContact C-N 3.25Å; Q366-T368 PolarHBondContact O-N 2.99Å; Q366-L369 WeakPolarHBondContact O-CB 3.44Å; Q366-L369 PolarHBondContact O-N 3.32Å; Q366-L369 VanDerWaalsContact O-N 3.17Å; Q366-K370 PolarHBondContact O-N 2.94Å
367S87Confident87.7Confident79 Ų7960.4 Ų60.455%0.55234%0.34SS*.Hα-helixtrans-61.2-35.8177.259.10000112.3R365 L371R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.38Å; S367-L371 WeakPolarHBondContact O-CB 3.3Å; S367-L371 PolarHBondContact O-N 3.5Å
368T88.1Confident87.6Confident51 Ų5158.2 Ų58.231%0.31332%0.318SS..Hα-helixtrans-70.5-38.6175.9-50.80000111.3F363 R365 Q366 L371 H372F363-T368 HydrophobicContact CD1-CG2 3.55Å; F363-T368 HydrophobicContact CE1-CG2 4.13Å; F363-T368 HydrophobicContact CG-CG2 4.35Å; R365-T368 WeakPolarHBondContact O-CB 3.43Å; R365-T368 PolarHBondContact O-N 2.93Å; Q366-T368 VanDerWaalsContact C-N 3.25Å; Q366-T368 PolarHBondContact O-N 2.99Å; T368-L371 PolarHBondContact O-N 3.13Å; T368-H372 WeakPolarHBondContact O-CB 3.21Å; T368-H372 PolarHBondContact O-N 2.87Å
369L90.7Very high88Confident19 Ų1957.7 Ų57.710%0.09932%0.315CS..Hα-helixtrans-62-48.4172.3171.661.6000111.5C356 F363 R365 Q366 L371 H372 Q373C356-L369 HydrophobicContact CB-CD1 3.63Å; F363-L369 HydrophobicContact CB-CB 4.35Å; F363-L369 HydrophobicContact CD2-CB 3.84Å; F363-L369 HydrophobicContact CD2-CD1 3.73Å; F363-L369 HydrophobicContact CD2-CG 4.37Å; F363-L369 HydrophobicContact CE2-CD1 3.82Å; F363-L369 HydrophobicContact CG-CB 4.26Å; R365-L369 PolarHBondContact O-N 2.88Å; Q366-L369 WeakPolarHBondContact O-CB 3.44Å; Q366-L369 PolarHBondContact O-N 3.32Å; Q366-L369 VanDerWaalsContact O-N 3.17Å; L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.02Å; L369-H372 CarbonylContact O-C 3.26Å; L369-H372 WeakPolarHBondContact O-CA 3.29Å; L369-H372 WeakPolarHBondContact O-CB 3.5Å; L369-H372 PolarHBondContact O-N 3.41Å; L369-Q373 HydrophobicContact CD1-CG 4.29Å; L369-Q373 WeakPolarHBondContact O-CG 3.47Å; L369-Q373 PolarHBondContact O-N 3.49Å
370K89.1Confident88.3Confident123 Ų12361.4 Ų61.454%0.53533%0.327SS..Hα-helixtrans-57.9-41.9177.9-73.4-173.8176.9-173.50112.2Q366 Q373Q366-K370 PolarHBondContact O-N 2.94Å; K370-Q373 PolarHBondContact O-N 2.96Å
371L89.9Confident88.5Confident46 Ų4662.9 Ų62.924%0.24133%0.33CS..Hα-helixtrans-65-42.3174.9170.160.3000111.9S367 T368 L369 Q373 R374 Q393S367-L371 WeakPolarHBondContact O-CB 3.3Å; S367-L371 PolarHBondContact O-N 3.5Å; T368-L371 PolarHBondContact O-N 3.13Å; L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.02Å; L371-Q373 VanDerWaalsContact C-N 3.3Å; L371-Q373 PolarHBondContact O-N 3.44Å; L371-R374 WeakPolarHBondContact O-CB 3.34Å; L371-R374 PolarHBondContact O-N 3.3Å; L371-Q393 HydrophobicContact CD1-CG 3.29Å; L371-Q393 HydrophobicContact CD2-CG 3.85Å; L371-Q393 VanDerWaalsContact CD2-NE2 3.29Å; L371-Q393 HydrophobicContact CG-CG 4.17Å
372H90.3Very high88.9Confident15 Ų1564.5 Ų64.57%0.06933%0.333CS..Hα-helixtrans-62.3-36.7175.9169.677.5000112.1C359 F363 T368 L369 R374 I375 H376C359-H372 PolarHBondContact SG-NE2 3.23Å; F363-H372 HydrophobicContact CE1-CB 4Å; F363-H372 HydrophobicContact CE2-CB 3.98Å; F363-H372 AromaticContact CE2-CD2 3.52Å; F363-H372 AromaticContact CE2-CG 3.71Å; F363-H372 HydrophobicContact CZ-CB 3.51Å; F363-H372 AromaticContact CZ-CD2 3.49Å; F363-H372 VanDerWaalsContact CZ-CD2 3.49Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.17Å; F363-H372 AromaticContact CZ-CG 3.23Å; F363-H372 AromaticContact CZ-ND1 3.59Å; F363-H372 AromaticContact CZ-NE2 3.93Å; T368-H372 WeakPolarHBondContact O-CB 3.21Å; T368-H372 PolarHBondContact O-N 2.87Å; L369-H372 CarbonylContact O-C 3.26Å; L369-H372 WeakPolarHBondContact O-CA 3.29Å; L369-H372 WeakPolarHBondContact O-CB 3.5Å; L369-H372 PolarHBondContact O-N 3.41Å; H372-R374 PolarHBondContact O-N 2.91Å; H372-I375 WeakPolarHBondContact O-CA 3.31Å; H372-I375 WeakPolarHBondContact O-CB 3.09Å; H372-I375 VanDerWaalsContact O-CG1 3.22Å; H372-I375 WeakPolarHBondContact O-CG1 3.29Å; H372-I375 PolarHBondContact O-N 3.46Å; H372-H376 AromaticContact NE2-NE2 3.43Å; H372-H376 PolarHBondContact NE2-NE2 3.01Å
373Q89Confident89.2Confident76 Ų7669.5 Ų69.536%0.35535%0.354SS..Hα-helixtrans-58.9-29.7176.1-74.5172.5-39.800113.1L369 K370 L371 I375 H376 T377L369-Q373 HydrophobicContact CD1-CG 4.29Å; L369-Q373 WeakPolarHBondContact O-CG 3.47Å; L369-Q373 PolarHBondContact O-N 3.49Å; K370-Q373 PolarHBondContact O-N 2.96Å; L371-Q373 VanDerWaalsContact C-N 3.3Å; L371-Q373 PolarHBondContact O-N 3.44Å; Q373-I375 PolarHBondContact O-N 3.23Å; Q373-H376 WeakPolarHBondContact O-CB 3.37Å; Q373-H376 PolarHBondContact O-N 2.86Å; Q373-T377 PolarHBondContact O-N 2.84Å
374R90.6Very high89.5Confident66 Ų6669 Ų6925%0.24935%0.352CS..Hα-helixtrans-62.3-15.4172.5-60.4-177.9179.6166.4-1113.6L371 H372 T377 G378 E379 R392L371-R374 WeakPolarHBondContact O-CB 3.34Å; L371-R374 PolarHBondContact O-N 3.3Å; H372-R374 PolarHBondContact O-N 2.91Å; R374-T377 WeakPolarHBondContact CA-OG1 3.46Å; R374-G378 PolarHBondContact O-N 3.28Å; R374-G378 VanDerWaalsContact O-N 3.13Å; R374-E379 HydrophobicContact CG-CB 4.44Å; R374-R392 PolarHBondContact NH1-O 3.42Å; R374-R392 PolarHBondContact O-NE 2.96Å; R374-R392 PolarHBondContact O-NH2 2.96Å
375I89.6Confident89.8Confident80 Ų8072 Ų7241%0.4138%0.383SS..Hα-helixtrans-67.4-42.5172.9-57.3-178.7000110.7H372 Q373 R392H372-I375 WeakPolarHBondContact O-CA 3.31Å; H372-I375 WeakPolarHBondContact O-CB 3.09Å; H372-I375 VanDerWaalsContact O-CG1 3.22Å; H372-I375 WeakPolarHBondContact O-CG1 3.29Å; H372-I375 PolarHBondContact O-N 3.46Å; Q373-I375 PolarHBondContact O-N 3.23Å; I375-R392 VanDerWaalsContact CA-CZ 3.42Å; I375-R392 PolarHBondContact O-NH2 2.94Å; I375-R392 VanDerWaalsContact O-NH2 3.08Å
376H88.3Confident89.9Confident72 Ų7273.4 Ų73.433%0.33339%0.394SS..Hα-helixtrans-75.5-45.1-179.5-61.7-66.6000112.4E358 C359 H372 Q373 G378E358-H376 WeakPolarHBondContact OE2-CB 3.4Å; E358-H376 IonicContact OE2-CD2 2.79Å; E358-H376 IonicContact OE2-CG 3.51Å; E358-H376 IonicContact OE2-ND1 3.32Å; E358-H376 PolarHBondContact OE2-ND1 3.18Å; C359-H376 PolarHBondContact SG-NE2 3.43Å; C359-H376 VanDerWaalsContact SG-NE2 3.44Å; H372-H376 AromaticContact NE2-NE2 3.43Å; H372-H376 PolarHBondContact NE2-NE2 3.01Å; Q373-H376 WeakPolarHBondContact O-CB 3.37Å; Q373-H376 PolarHBondContact O-N 2.86Å; H376-G378 PolarHBondContact O-N 3.44Å
377T88.3Confident90.1Very high79 Ų7971.1 Ų71.149%0.48539%0.388SS..Hα-helixtrans-73.8-15.8179.764.70000113.2Q373 R374 E379Q373-T377 PolarHBondContact O-N 2.84Å; R374-T377 WeakPolarHBondContact CA-OG1 3.46Å; T377-E379 PolarHBondContact O-N 3.27Å; T377-E379 WeakPolarHBondContact OG1-CB 3.33Å; T377-E379 WeakPolarHBondContact OG1-CG 3.26Å; T377-E379 PolarHBondContact OG1-N 2.95Å
378G88.6Confident90.2Very high38 Ų3869 Ų6939%0.39238%0.379SS..  trans74.3-3.4-17500000114.3R374 H376 K380R374-G378 PolarHBondContact O-N 3.28Å; R374-G378 VanDerWaalsContact O-N 3.13Å; H376-G378 PolarHBondContact O-N 3.44Å; G378-K380 PolarHBondContact O-N 3.44Å
379E89.5Confident90.3Very high110 Ų11072.7 Ų72.751%0.51439%0.391SS..  trans-56.6128.6-176.3-76.4179.1-175.500112.4R374 T377 R392R374-E379 HydrophobicContact CG-CB 4.44Å; T377-E379 PolarHBondContact O-N 3.27Å; T377-E379 WeakPolarHBondContact OG1-CB 3.33Å; T377-E379 WeakPolarHBondContact OG1-CG 3.26Å; T377-E379 PolarHBondContact OG1-N 2.95Å; E379-R392 WeakPolarHBondContact O-CG 3.47Å
380K91.3Very high90.4Very high114 Ų11473.8 Ų73.850%0.49640%0.4SS..  trans-128.778.5176.3-70.8168176.3-174.20109.8G378 Y382 S390 F391 R392G378-K380 PolarHBondContact O-N 3.44Å; K380-Y382 PolarHBondContact O-N 3.36Å; K380-Y382 VanDerWaalsContact O-N 3.13Å; K380-S390 WeakPolarHBondContact CD-O 3.32Å; K380-F391 CarbonylContact C-O 3.21Å; K380-F391 VanDerWaalsContact C-O 3.23Å; K380-F391 VanDerWaalsContact CA-O 3.31Å; K380-F391 WeakPolarHBondContact CA-O 3.3Å; K380-R392 HydrophobicContact CG-CG 3.84Å
381P90.5Very high90.5Very high73 Ų7369.9 Ų69.947%0.47438%0.383SS..  trans-67.9-15.2-170.8-20.733.6000114.6
382Y93.4Very high90.3Very high79 Ų7971.2 Ų71.231%0.3139%0.385SS..EExtended strand (participates in β ladder)trans-107100.1-171.2-57.7-76.7000110.3K380 S390 F391K380-Y382 PolarHBondContact O-N 3.36Å; K380-Y382 VanDerWaalsContact O-N 3.13Å; Y382-S390 CarbonylContact O-C 3.56Å; Y382-S390 WeakPolarHBondContact O-CA 3.33Å; Y382-F391 PolarHBondContact N-O 3.2Å; Y382-F391 VanDerWaalsContact N-O 3.11Å; Y382-F391 WeakPolarHBondContact O-CD2 3.45Å; Y382-F391 PolarHBondContact O-N 3.08Å
383Q93.8Very high90.3Very high123 Ų12373.8 Ų73.858%0.57540%0.397SS*.EExtended strand (participates in β ladder)trans-98.5138.8179.6-169.3172.814.300111.7G388 S390Q383-G388 WeakPolarHBondContact CG-O 3.35Å; Q383-G388 PolarHBondContact NE2-O 2.89Å; Q383-G388 VanDerWaalsContact NE2-O 3.1Å; Q383-S390 WeakPolarHBondContact CG-OG 3.39Å
384C93.1Very high90.4Very high1 Ų173.4 Ų73.41%0.00740%0.403CS..  trans-78.1119.8169.6-175.70000109.8Q386 C387 G388 K389 F391 L397 H404C384-Q386 PolarHBondContact O-N 3.04Å; C384-C387 VanDerWaalsContact SG-SG 3.69Å; C384-G388 WeakPolarHBondContact O-CA 3.23Å; C384-G388 PolarHBondContact O-N 3.24Å; C384-K389 WeakPolarHBondContact CB-O 3.47Å; C384-K389 PolarHBondContact N-O 3.16Å; C384-F391 HydrophobicContact CB-CE2 4.37Å; C384-L397 HydrophobicContact CB-CD1 3.62Å; C384-H404 PolarHBondContact SG-NE2 3.21Å
385G90.2Very high90.4Very high82 Ų8273.1 Ų73.185%0.84541%0.411SS*.THydrogen-bonded Turntrans-66.2-23.2178.100000114.1
386Q89Confident90.5Very high114 Ų11472.4 Ų72.453%0.53341%0.408SS..THydrogen-bonded Turntrans-82.7-38.3-178.1-70.7172.5-600113.2C384 H404 H405C384-Q386 PolarHBondContact O-N 3.04Å; Q386-H404 PolarHBondContact OE1-CD2 3.17Å; Q386-H405 PolarHBondContact NE2-NE2 3.44Å
387C91.8Very high90.6Very high53 Ų5370.1 Ų70.136%0.35840%0.398SS..THydrogen-bonded Turntrans-125.83.8-174.272.70000114.3C384 K389 H400C384-C387 VanDerWaalsContact SG-SG 3.69Å; C387-K389 PolarHBondContact O-N 2.86Å; C387-K389 VanDerWaalsContact SG-CB 3.59Å; C387-K389 VanDerWaalsContact SG-CG 3.55Å; C387-H400 PolarHBondContact SG-NE2 3.22Å
388G88.9Confident90.7Very high36 Ų3672.3 Ų72.337%0.37140%0.403SS..  trans69.7-2.8179.700000115.5Q383 C384 S390Q383-G388 WeakPolarHBondContact CG-O 3.35Å; Q383-G388 PolarHBondContact NE2-O 2.89Å; Q383-G388 VanDerWaalsContact NE2-O 3.1Å; C384-G388 WeakPolarHBondContact O-CA 3.23Å; C384-G388 PolarHBondContact O-N 3.24Å; G388-S390 PolarHBondContact O-N 3.4Å
389K91.3Very high90.8Very high127 Ų12775.4 Ų75.455%0.55241%0.407SS*.  trans-65.5131.6-179.5-70.5-180-177.5178.20111C384 C387 F391C384-K389 WeakPolarHBondContact CB-O 3.47Å; C384-K389 PolarHBondContact N-O 3.16Å; C387-K389 PolarHBondContact O-N 2.86Å; C387-K389 VanDerWaalsContact SG-CB 3.59Å; C387-K389 VanDerWaalsContact SG-CG 3.55Å; K389-F391 HydrophobicContact CB-CE2 3.94Å; K389-F391 HydrophobicContact CB-CZ 4.01Å; K389-F391 WeakPolarHBondContact O-CE2 3.46Å
390S92.3Very high90.8Very high43 Ų4371 Ų7130%0.30139%0.387SS..EExtended strand (participates in β ladder)trans-108.3142.3-177.6-60.20000112.6K380 Y382 Q383 G388K380-S390 WeakPolarHBondContact CD-O 3.32Å; Y382-S390 CarbonylContact O-C 3.56Å; Y382-S390 WeakPolarHBondContact O-CA 3.33Å; Q383-S390 WeakPolarHBondContact CG-OG 3.39Å; G388-S390 PolarHBondContact O-N 3.4Å
391F90.1Very high90.7Very high41 Ų4168.7 Ų68.718%0.1838%0.377CS..EExtended strand (participates in β ladder)trans-128.9151.4-173.1-57.5-88.9000111.4K380 Y382 C384 K389 Q393 N396 L397 H400K380-F391 CarbonylContact C-O 3.21Å; K380-F391 VanDerWaalsContact C-O 3.23Å; K380-F391 VanDerWaalsContact CA-O 3.31Å; K380-F391 WeakPolarHBondContact CA-O 3.3Å; Y382-F391 PolarHBondContact N-O 3.2Å; Y382-F391 VanDerWaalsContact N-O 3.11Å; Y382-F391 WeakPolarHBondContact O-CD2 3.45Å; Y382-F391 PolarHBondContact O-N 3.08Å; C384-F391 HydrophobicContact CB-CE2 4.37Å; K389-F391 HydrophobicContact CB-CE2 3.94Å; K389-F391 HydrophobicContact CB-CZ 4.01Å; K389-F391 WeakPolarHBondContact O-CE2 3.46Å; F391-Q393 VanDerWaalsContact C-N 3.34Å; F391-N396 HydrophobicContact CB-CB 4.22Å; F391-N396 HydrophobicContact CD1-CB 3.91Å; F391-N396 HydrophobicContact CG-CB 4.3Å; F391-L397 HydrophobicContact CB-CB 4.49Å; F391-L397 HydrophobicContact CD2-CB 3.95Å; F391-L397 HydrophobicContact CD2-CD1 3.7Å; F391-L397 HydrophobicContact CD2-CG 4.46Å; F391-L397 HydrophobicContact CE2-CD1 3.81Å; F391-L397 HydrophobicContact CG-CB 4.39Å; F391-H400 HydrophobicContact CE1-CB 4.05Å; F391-H400 HydrophobicContact CE2-CB 3.96Å; F391-H400 AromaticContact CE2-CD2 3.5Å; F391-H400 VanDerWaalsContact CE2-CD2 3.5Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.31Å; F391-H400 AromaticContact CE2-CG 3.76Å; F391-H400 HydrophobicContact CZ-CB 3.48Å; F391-H400 VanDerWaalsContact CZ-CB 3.48Å; F391-H400 AromaticContact CZ-CD2 3.48Å; F391-H400 VanDerWaalsContact CZ-CD2 3.48Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.24Å; F391-H400 AromaticContact CZ-CG 3.29Å; F391-H400 AromaticContact CZ-ND1 3.85Å
392R87.6Confident90.6Very high73 Ų7371.3 Ų71.328%0.27538%0.378SS..SBendtrans-78.7-18.3177-60.2-170.6166.5144.3-6.5113.4R374 I375 E379 K380R374-R392 PolarHBondContact NH1-O 3.42Å; R374-R392 PolarHBondContact O-NE 2.96Å; R374-R392 PolarHBondContact O-NH2 2.96Å; I375-R392 VanDerWaalsContact CA-CZ 3.42Å; I375-R392 PolarHBondContact O-NH2 2.94Å; I375-R392 VanDerWaalsContact O-NH2 3.08Å; E379-R392 WeakPolarHBondContact O-CG 3.47Å; K380-R392 HydrophobicContact CG-CG 3.84Å
393Q90.2Very high90.2Very high69 Ų6974 Ų7432%0.32240%0.397SS..SBendtrans-134.4143.5-177.1-65.2-178.459.800111.2L371 F391 S395 N396 L397L371-Q393 HydrophobicContact CD1-CG 3.29Å; L371-Q393 HydrophobicContact CD2-CG 3.85Å; L371-Q393 VanDerWaalsContact CD2-NE2 3.29Å; L371-Q393 HydrophobicContact CG-CG 4.17Å; F391-Q393 VanDerWaalsContact C-N 3.34Å; Q393-S395 VanDerWaalsContact C-N 3.32Å; Q393-S395 PolarHBondContact O-N 3.38Å; Q393-N396 HydrophobicContact CB-CB 4.45Å; Q393-N396 PolarHBondContact O-N 3.36Å; Q393-L397 PolarHBondContact O-N 3.03Å
394S90.9Very high89.6Confident68 Ų6871.6 Ų71.648%0.47639%0.385SS..Hα-helixtrans-65-34.7175.454.90000112.5N396 L397 H398S394-N396 VanDerWaalsContact C-N 3.27Å; S394-N396 PolarHBondContact O-N 3.07Å; S394-L397 WeakPolarHBondContact O-CB 3.32Å; S394-L397 PolarHBondContact O-N 2.91Å; S394-H398 PolarHBondContact O-N 3.49Å
395S90.5Very high88.6Confident61 Ų6177.9 Ų77.943%0.42741%0.414SS..Hα-helixtrans-59.5-39.1175.653.30000112.3Q393 H398 Q399Q393-S395 VanDerWaalsContact C-N 3.32Å; Q393-S395 PolarHBondContact O-N 3.38Å; S395-H398 PolarHBondContact O-N 2.87Å; S395-Q399 WeakPolarHBondContact O-CB 3.19Å; S395-Q399 PolarHBondContact O-N 2.94Å
396N90.8Very high87Confident65 Ų6577.3 Ų77.335%0.34841%0.408SS..Hα-helixtrans-71.3-38.1179.1-64.715.4000110.7F391 Q393 S394 Q399 H400F391-N396 HydrophobicContact CB-CB 4.22Å; F391-N396 HydrophobicContact CD1-CB 3.91Å; F391-N396 HydrophobicContact CG-CB 4.3Å; Q393-N396 HydrophobicContact CB-CB 4.45Å; Q393-N396 PolarHBondContact O-N 3.36Å; S394-N396 VanDerWaalsContact C-N 3.27Å; S394-N396 PolarHBondContact O-N 3.07Å; N396-Q399 PolarHBondContact O-N 2.89Å; N396-H400 WeakPolarHBondContact O-CB 3.41Å; N396-H400 PolarHBondContact O-N 3.48Å
397L91.4Very high84.8Confident24 Ų2481.7 Ų81.713%0.12644%0.435CS..Hα-helixtrans-61.6-45.1171.3176.664.9000111.1C384 F391 Q393 S394 H400 H401C384-L397 HydrophobicContact CB-CD1 3.62Å; F391-L397 HydrophobicContact CB-CB 4.49Å; F391-L397 HydrophobicContact CD2-CB 3.95Å; F391-L397 HydrophobicContact CD2-CD1 3.7Å; F391-L397 HydrophobicContact CD2-CG 4.46Å; F391-L397 HydrophobicContact CE2-CD1 3.81Å; F391-L397 HydrophobicContact CG-CB 4.39Å; Q393-L397 PolarHBondContact O-N 3.03Å; S394-L397 WeakPolarHBondContact O-CB 3.32Å; S394-L397 PolarHBondContact O-N 2.91Å; L397-H400 CarbonylContact O-C 3.33Å; L397-H400 WeakPolarHBondContact O-CB 3.24Å; L397-H400 PolarHBondContact O-N 3.46Å; L397-H401 VanDerWaalsContact CD1-NE2 3.28Å; L397-H401 WeakPolarHBondContact CD1-NE2 3.47Å; L397-H401 PolarHBondContact O-CD2 3Å; L397-H401 PolarHBondContact O-N 2.97Å
398H90.3Very high84.5Confident124 Ų12483.1 Ų83.157%0.57444%0.439SS*.Hα-helixtrans-64.5-42.2178.5-176.473.1000112.3S394 S395 H400 H401 R402S394-H398 PolarHBondContact O-N 3.49Å; S395-H398 PolarHBondContact O-N 2.87Å; H398-H400 VanDerWaalsContact C-N 3.3Å; H398-H400 PolarHBondContact O-N 2.83Å; H398-H401 WeakPolarHBondContact O-CB 3.35Å; H398-H401 PolarHBondContact O-N 3.3Å; H398-R402 PolarHBondContact O-N 3.32Å
399Q89.4Confident84.2Confident104 Ų10485.6 Ų85.649%0.48644%0.442SS..Hα-helixtrans-61.2-42.2171.9180175.625.600111.4S395 N396 H401 R402S395-Q399 WeakPolarHBondContact O-CB 3.19Å; S395-Q399 PolarHBondContact O-N 2.94Å; N396-Q399 PolarHBondContact O-N 2.89Å; Q399-H401 VanDerWaalsContact C-N 3.29Å; Q399-H401 PolarHBondContact O-N 3.41Å; Q399-R402 WeakPolarHBondContact O-CB 3.15Å; Q399-R402 PolarHBondContact O-N 3.19Å
400H90.7Very high83.9Confident18 Ų1883.3 Ų83.38%0.08344%0.436CS..Hα-helixtrans-62.6-36.3176.3174.662.7000112.4C387 F391 N396 L397 H398 R402 L403 H404C387-H400 PolarHBondContact SG-NE2 3.22Å; F391-H400 HydrophobicContact CE1-CB 4.05Å; F391-H400 HydrophobicContact CE2-CB 3.96Å; F391-H400 AromaticContact CE2-CD2 3.5Å; F391-H400 VanDerWaalsContact CE2-CD2 3.5Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.31Å; F391-H400 AromaticContact CE2-CG 3.76Å; F391-H400 HydrophobicContact CZ-CB 3.48Å; F391-H400 VanDerWaalsContact CZ-CB 3.48Å; F391-H400 AromaticContact CZ-CD2 3.48Å; F391-H400 VanDerWaalsContact CZ-CD2 3.48Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.24Å; F391-H400 AromaticContact CZ-CG 3.29Å; F391-H400 AromaticContact CZ-ND1 3.85Å; N396-H400 WeakPolarHBondContact O-CB 3.41Å; N396-H400 PolarHBondContact O-N 3.48Å; L397-H400 CarbonylContact O-C 3.33Å; L397-H400 WeakPolarHBondContact O-CB 3.24Å; L397-H400 PolarHBondContact O-N 3.46Å; H398-H400 VanDerWaalsContact C-N 3.3Å; H398-H400 PolarHBondContact O-N 2.83Å; H400-R402 PolarHBondContact O-N 3.19Å; H400-L403 VanDerWaalsContact O-CB 3.29Å; H400-L403 WeakPolarHBondContact O-CB 3.47Å; H400-L403 PolarHBondContact O-N 3.48Å; H400-H404 AromaticContact CD2-NE2 3.64Å; H400-H404 AromaticContact CE1-CE1 3.85Å; H400-H404 AromaticContact CE1-NE2 3.48Å; H400-H404 PolarHBondContact CE1-NE2 3.21Å; H400-H404 AromaticContact NE2-CD2 3.87Å; H400-H404 AromaticContact NE2-CE1 3.68Å; H400-H404 AromaticContact NE2-NE2 2.95Å; H400-H404 PolarHBondContact NE2-NE2 3.06Å
401H88.4Confident83.4Confident64 Ų6485.6 Ų85.630%0.29644%0.444SS..Hα-helixtrans-61.7-31.8175.6-75.6-162.2000113L397 H398 Q399 L403 H404 H405L397-H401 VanDerWaalsContact CD1-NE2 3.28Å; L397-H401 WeakPolarHBondContact CD1-NE2 3.47Å; L397-H401 PolarHBondContact O-CD2 3Å; L397-H401 PolarHBondContact O-N 2.97Å; H398-H401 WeakPolarHBondContact O-CB 3.35Å; H398-H401 PolarHBondContact O-N 3.3Å; Q399-H401 VanDerWaalsContact C-N 3.29Å; Q399-H401 PolarHBondContact O-N 3.41Å; H401-L403 PolarHBondContact O-N 2.97Å; H401-H404 PolarHBondContact O-N 3.36Å; H401-H404 VanDerWaalsContact O-N 3.08Å; H401-H405 PolarHBondContact O-CD2 3.47Å; H401-H405 PolarHBondContact O-N 2.97Å
402R89.6Confident82.9Confident129 Ų12988.4 Ų88.449%0.48746%0.461SS..Hα-helixtrans-62.4-29.7174.3-66.9-173-76.6176.3-5.2112.6H398 Q399 H400 H404 H405 G406H398-R402 PolarHBondContact O-N 3.32Å; Q399-R402 WeakPolarHBondContact O-CB 3.15Å; Q399-R402 PolarHBondContact O-N 3.19Å; H400-R402 PolarHBondContact O-N 3.19Å; R402-H404 VanDerWaalsContact C-N 3.25Å; R402-H404 PolarHBondContact O-N 3.33Å; R402-H405 PolarHBondContact O-N 2.85Å; R402-G406 PolarHBondContact O-N 2.91Å
403L84.1Confident82.6Confident136 Ų13689.5 Ų89.571%0.71247%0.473SS*.Hα-helixtrans-69.7-23.5176.1-56.3175.4000113H400 H401H400-L403 VanDerWaalsContact O-CB 3.29Å; H400-L403 WeakPolarHBondContact O-CB 3.47Å; H400-L403 PolarHBondContact O-N 3.48Å; H401-L403 PolarHBondContact O-N 2.97Å
404H82Confident82.1Confident72 Ų7290.9 Ų90.933%0.33348%0.484SS..Hα-helixtrans-82.7-30.8175.2-65-56.1000112.5C384 Q386 H400 H401 R402C384-H404 PolarHBondContact SG-NE2 3.21Å; Q386-H404 PolarHBondContact OE1-CD2 3.17Å; H400-H404 AromaticContact CD2-NE2 3.64Å; H400-H404 AromaticContact CE1-CE1 3.85Å; H400-H404 AromaticContact CE1-NE2 3.48Å; H400-H404 PolarHBondContact CE1-NE2 3.21Å; H400-H404 AromaticContact NE2-CD2 3.87Å; H400-H404 AromaticContact NE2-CE1 3.68Å; H400-H404 AromaticContact NE2-NE2 2.95Å; H400-H404 PolarHBondContact NE2-NE2 3.06Å; H401-H404 PolarHBondContact O-N 3.36Å; H401-H404 VanDerWaalsContact O-N 3.08Å; R402-H404 VanDerWaalsContact C-N 3.25Å; R402-H404 PolarHBondContact O-N 3.33Å
405H70.9Confident81.4Confident133 Ų13392.7 Ų92.762%0.61649%0.485SS*.Hα-helixtrans-97.8-0.9-177.3-68.5-70.3000114.1Q386 H401 R402Q386-H405 PolarHBondContact NE2-NE2 3.44Å; H401-H405 PolarHBondContact O-CD2 3.47Å; H401-H405 PolarHBondContact O-N 2.97Å; R402-H405 PolarHBondContact O-N 2.85Å
406G57.4Low80.6Confident69 Ų6995.3 Ų95.371%0.71149%0.489SS*.THydrogen-bonded Turntrans59.947.4169.500000114.5R402R402-G406 PolarHBondContact O-N 2.91Å
407D42.7Very low79.7Confident206 Ų20698.1 Ų98.1100%1.10250%0.502SS*.  trans-99.60168.4-103.4-27.3000112

Retrieved 407 of 407 residues in 64.3 ms (Link to these results)