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3-oxo-5-alpha-steroid 4-dehydrogenase

Converts testosterone (T) into 5-alpha-dihydrotestosterone (DHT) and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology. Converts testosterone into 5-alpha-dihydrotestosterone and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology.

AlphaFold DB , UniProt , Accession A0A096NY33, Species PAPAN (Papio anubis, Olive baboon), Gene SRD5A2, Length 254 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
1M44.7Very low84.2Confident238 Ų238115.2 Ų115.2100%1.17260%0.599SS**  0107.70-162.1172.5161.800106.8V3M1-V3 PolarHBondContact O-N 3.14Å
2Q58Low85.4Confident200 Ų200110.2 Ų110.294%0.93559%0.587SS**  trans-66.3119.9177.1-89.7172.4-27.900108Q4Q2-Q4 PolarHBondContact O-N 2.8Å
3V71.3Confident86.4Confident83 Ų83103.5 Ų103.550%0.50356%0.56SS.*  trans-73114.2173.9178.10000106.8M1 Y132M1-V3 PolarHBondContact O-N 3.14Å; V3-Y132 HydrophobicContact CB-CD1 3.91Å; V3-Y132 HydrophobicContact CB-CE1 4.14Å; V3-Y132 HydrophobicContact CG1-CD1 4.33Å; V3-Y132 HydrophobicContact CG2-CE1 4.25Å
4Q82.4Confident87.2Confident175 Ų17596.4 Ų96.482%0.81852%0.522SS*.  trans-68.5132.3175.3-170.41740.900109.6Q2 Q6Q2-Q4 PolarHBondContact O-N 2.8Å; Q4-Q6 PolarHBondContact O-N 2.94Å
5C92.1Very high88Confident38 Ų3893.9 Ų93.926%0.25752%0.52SS..  trans-58.8120.9176.8175.70000110.7Y132 C133C5-Y132 WeakPolarHBondContact CB-O 3.19Å; C5-C133 HydrophobicContact CB-CB 3.9Å; C5-C133 WeakPolarHBondContact CB-SG 3.46Å; C5-C133 WeakPolarHBondContact SG-CB 3.38Å; C5-C133 CovalentContact SG-SG 2.03Å; C5-C133 PolarHBondContact SG-SG 3.07Å
6Q94.8Very high88.6Confident127 Ų12793.1 Ų93.159%0.59352%0.518SS*.  trans-91.2108.5169.1-65.1-172.6-20.100108.9Q4 P9 Y128Q4-Q6 PolarHBondContact O-N 2.94Å; Q6-P9 HydrophobicContact CB-CG 4.13Å; Q6-P9 WeakPolarHBondContact O-CD 3.3Å; Q6-Y128 PolarHBondContact N-OH 3.36Å
7Q94.3Very high89.2Confident139 Ų13988.2 Ų88.265%0.6549%0.491SS*.Hα-helixtrans-74.4-34.1-176.4-67.2-172-22.100113.2V10 L11Q7-V10 WeakPolarHBondContact O-CB 3.06Å; Q7-V10 PolarHBondContact O-N 3.27Å; Q7-V10 VanDerWaalsContact O-N 3.11Å; Q7-L11 WeakPolarHBondContact O-CG 3.31Å; Q7-L11 PolarHBondContact O-N 3.42Å
8S96.7Very high89.7Confident94 Ų9486.7 Ų86.766%0.65748%0.484SS*.Hα-helixtrans-60-45.8-175.6-42.90000113.4V10 L11 A12S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.49Å; S8-L11 PolarHBondContact O-N 3.47Å; S8-A12 WeakPolarHBondContact O-CB 3.48Å; S8-A12 PolarHBondContact O-N 3.34Å
9P96.1Very high90.2Very high70 Ų7085.2 Ų85.246%0.45548%0.484SS..Hα-helixtrans-62-35.8173.9-2435000113.6Q6 G13Q6-P9 HydrophobicContact CB-CG 4.13Å; Q6-P9 WeakPolarHBondContact O-CD 3.3Å; P9-G13 PolarHBondContact O-N 3.01Å
10V97.7Very high90.6Very high7 Ų784.2 Ų84.24%0.04248%0.477CS..Hα-helixtrans-64.4-47.6177.41720000110.7Q7 S8 G13 S14 L125 Y128 Y129 P212Q7-V10 WeakPolarHBondContact O-CB 3.06Å; Q7-V10 PolarHBondContact O-N 3.27Å; Q7-V10 VanDerWaalsContact O-N 3.11Å; S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.49Å; V10-G13 PolarHBondContact O-N 2.71Å; V10-S14 WeakPolarHBondContact O-CB 3.2Å; V10-S14 PolarHBondContact O-N 3.1Å; V10-S14 PolarHBondContact O-OG 3.04Å; V10-L125 HydrophobicContact CB-CD1 4.47Å; V10-L125 HydrophobicContact CG1-CD1 4.4Å; V10-Y128 HydrophobicContact CG2-CD1 3.91Å; V10-Y128 HydrophobicContact CG2-CE1 3.94Å; V10-Y129 HydrophobicContact CB-CD2 4.47Å; V10-Y129 HydrophobicContact CG1-CD2 3.49Å; V10-Y129 VanDerWaalsContact CG1-CD2 3.49Å; V10-Y129 HydrophobicContact CG1-CE2 3.94Å; V10-Y129 HydrophobicContact CG1-CG 4.5Å; V10-Y129 HydrophobicContact CG2-CD2 4.17Å; V10-P212 HydrophobicContact CG1-CG 4.36Å
11L98.2Very high90.9Very high96 Ų9680.1 Ų80.150%0.50345%0.454SS..Hα-helixtrans-62.8-45.1178.2-68.1175.8000111.1Q7 S8 S14 A15 L211Q7-L11 WeakPolarHBondContact O-CG 3.31Å; Q7-L11 PolarHBondContact O-N 3.42Å; S8-L11 PolarHBondContact O-N 3.47Å; L11-S14 PolarHBondContact O-N 2.64Å; L11-A15 WeakPolarHBondContact O-CB 3.05Å; L11-A15 PolarHBondContact O-N 3.15Å; L11-L211 HydrophobicContact CD2-CD2 3.55Å
12A98.1Very high93.4Very high55 Ų5571.1 Ų71.146%0.45542%0.417SS..Hα-helixtrans-63.1-42.617800000112.4S8 A15 T16S8-A12 WeakPolarHBondContact O-CB 3.48Å; S8-A12 PolarHBondContact O-N 3.34Å; A12-A15 PolarHBondContact O-N 2.81Å; A12-T16 WeakPolarHBondContact O-CB 3.32Å; A12-T16 PolarHBondContact O-N 3.02Å; A12-T16 PolarHBondContact O-OG1 3.5Å
13G98.3Very high95.2Very high23 Ų2366.1 Ų66.124%0.23740%0.396CS..Hα-helixtrans-62.1-45.1175.200000112P9 V10 T16 L17P9-G13 PolarHBondContact O-N 3.01Å; V10-G13 PolarHBondContact O-N 2.71Å; G13-T16 WeakPolarHBondContact O-CB 3.4Å; G13-T16 PolarHBondContact O-N 2.81Å; G13-L17 PolarHBondContact O-N 3.12Å
14S98.6Very high96.4Very high5 Ų563.7 Ų63.74%0.03538%0.382CS..Hα-helixtrans-63-45.3177.1-53.90000111.7V10 L11 T16 L17 V18 P212V10-S14 WeakPolarHBondContact O-CB 3.2Å; V10-S14 PolarHBondContact O-N 3.1Å; V10-S14 PolarHBondContact O-OG 3.04Å; L11-S14 PolarHBondContact O-N 2.64Å; S14-T16 VanDerWaalsContact C-N 3.3Å; S14-T16 PolarHBondContact O-N 3.48Å; S14-L17 PolarHBondContact O-N 2.87Å; S14-V18 WeakPolarHBondContact O-CG2 3.44Å; S14-V18 PolarHBondContact O-N 2.95Å; S14-V18 VanDerWaalsContact O-N 3.08Å; S14-P212 WeakPolarHBondContact OG-CA 3.39Å; S14-P212 WeakPolarHBondContact OG-CB 3.34Å
15A98.6Very high97Very high59 Ų5959.5 Ų59.549%0.48836%0.364SS..Hα-helixtrans-61.6-39.2176.300000111.7L11 A12 V18 A19L11-A15 WeakPolarHBondContact O-CB 3.05Å; L11-A15 PolarHBondContact O-N 3.15Å; A12-A15 PolarHBondContact O-N 2.81Å; A15-V18 PolarHBondContact O-N 3.5Å; A15-A19 WeakPolarHBondContact O-CB 3.3Å; A15-A19 PolarHBondContact O-N 2.88Å
16T98.4Very high97.1Very high80 Ų8067 Ų6749%0.49139%0.389SS..Hα-helixtrans-63.2-43.9176-56.70000111.3A12 G13 S14 V18 A19 L20A12-T16 WeakPolarHBondContact O-CB 3.32Å; A12-T16 PolarHBondContact O-N 3.02Å; A12-T16 PolarHBondContact O-OG1 3.5Å; G13-T16 WeakPolarHBondContact O-CB 3.4Å; G13-T16 PolarHBondContact O-N 2.81Å; S14-T16 VanDerWaalsContact C-N 3.3Å; S14-T16 PolarHBondContact O-N 3.48Å; T16-V18 VanDerWaalsContact C-N 3.35Å; T16-V18 PolarHBondContact O-N 2.94Å; T16-A19 PolarHBondContact O-N 3.35Å; T16-L20 HydrophobicContact CG2-CD1 4.19Å; T16-L20 HydrophobicContact CG2-CG 4.37Å; T16-L20 WeakPolarHBondContact O-CB 3.3Å; T16-L20 VanDerWaalsContact O-CG 3.24Å; T16-L20 WeakPolarHBondContact O-CG 3.27Å; T16-L20 PolarHBondContact O-N 3.45Å
17L98.3Very high97.1Very high10 Ų1064.7 Ų64.75%0.05238%0.383CS..Hα-helixtrans-60.1-43.7175.8-74175.4000112G13 S14 L20 G21 F118 L125 A215 F216G13-L17 PolarHBondContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 2.87Å; L17-L20 PolarHBondContact O-N 3.01Å; L17-G21 PolarHBondContact O-N 3.35Å; L17-F118 HydrophobicContact CD2-CD2 4.42Å; L17-F118 HydrophobicContact CD2-CE2 3.49Å; L17-F118 VanDerWaalsContact CD2-CE2 3.49Å; L17-F118 HydrophobicContact CD2-CZ 3.78Å; L17-L125 HydrophobicContact CD1-CD2 3.74Å; L17-A215 HydrophobicContact CB-CB 4.11Å; L17-A215 HydrophobicContact CD1-CB 4.34Å; L17-F216 HydrophobicContact CD1-CB 4.09Å
18V98.5Very high97Very high61 Ų6160.5 Ų60.537%0.3737%0.372SS..Hα-helixtrans-63.3-47.6176174.40000111S14 A15 T16 L20 G21 A22 A215 F218S14-V18 WeakPolarHBondContact O-CG2 3.44Å; S14-V18 PolarHBondContact O-N 2.95Å; S14-V18 VanDerWaalsContact O-N 3.08Å; A15-V18 PolarHBondContact O-N 3.5Å; T16-V18 VanDerWaalsContact C-N 3.35Å; T16-V18 PolarHBondContact O-N 2.94Å; V18-L20 VanDerWaalsContact C-N 3.31Å; V18-L20 PolarHBondContact O-N 3.05Å; V18-G21 PolarHBondContact O-N 2.83Å; V18-G21 VanDerWaalsContact O-N 3.1Å; V18-A22 PolarHBondContact O-N 3.31Å; V18-A215 HydrophobicContact CG2-CB 3.9Å; V18-F218 HydrophobicContact CB-CD1 4.35Å; V18-F218 HydrophobicContact CB-CE1 4.45Å; V18-F218 HydrophobicContact CG1-CD1 4.15Å; V18-F218 HydrophobicContact CG1-CE1 3.87Å; V18-F218 HydrophobicContact CG2-CD1 4.21Å
19A98.3Very high96.6Very high58 Ų5863.6 Ų63.648%0.47937%0.374SS..Hα-helixtrans-61.3-39.3178.600000112.1A15 T16 A22 L23A15-A19 WeakPolarHBondContact O-CB 3.3Å; A15-A19 PolarHBondContact O-N 2.88Å; T16-A19 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 2.91Å; A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 PolarHBondContact O-N 3.36Å
20L97.9Very high96.2Very high65 Ų6562 Ų6234%0.3436%0.363SS..Hα-helixtrans-62.8-41.8173.4-73.6173.9000111.6T16 L17 V18 L23 V24 F118 F219T16-L20 HydrophobicContact CG2-CD1 4.19Å; T16-L20 HydrophobicContact CG2-CG 4.37Å; T16-L20 WeakPolarHBondContact O-CB 3.3Å; T16-L20 VanDerWaalsContact O-CG 3.24Å; T16-L20 WeakPolarHBondContact O-CG 3.27Å; T16-L20 PolarHBondContact O-N 3.45Å; L17-L20 PolarHBondContact O-N 3.01Å; V18-L20 VanDerWaalsContact C-N 3.31Å; V18-L20 PolarHBondContact O-N 3.05Å; L20-L23 PolarHBondContact O-N 2.85Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.35Å; L20-V24 PolarHBondContact O-N 3.24Å; L20-F118 HydrophobicContact CD1-CD2 4.15Å; L20-F118 HydrophobicContact CD1-CE2 4.28Å; L20-F219 HydrophobicContact CB-CD2 3.97Å; L20-F219 HydrophobicContact CB-CE2 3.97Å
21G97.1Very high95.5Very high0 Ų064 Ų640%038%0.377CS..Hα-helixtrans-60.5-47.6174.900000112L17 V18 L23 V24 L25 C222L17-G21 PolarHBondContact O-N 3.35Å; V18-G21 PolarHBondContact O-N 2.83Å; V18-G21 VanDerWaalsContact O-N 3.1Å; G21-L23 PolarHBondContact O-N 2.86Å; G21-V24 WeakPolarHBondContact O-CB 3.26Å; G21-V24 PolarHBondContact O-N 3.4Å; G21-L25 PolarHBondContact O-N 3.46Å; G21-C222 WeakPolarHBondContact O-CB 3.47Å
22A97.6Very high94.8Very high49 Ų4961 Ų6141%0.40537%0.37SS..Hα-helixtrans-62.3-41.9176.300000112.3V18 A19 V24 L25 Y26V18-A22 PolarHBondContact O-N 3.31Å; A19-A22 PolarHBondContact O-N 2.91Å; A22-V24 VanDerWaalsContact C-N 3.31Å; A22-V24 PolarHBondContact O-N 3.37Å; A22-L25 PolarHBondContact O-N 2.97Å; A22-Y26 WeakPolarHBondContact O-CB 3.14Å; A22-Y26 PolarHBondContact O-N 2.9Å
23L96.8Very high94.2Very high94 Ų9459.1 Ų59.149%0.49235%0.351SS..Hα-helixtrans-61.9-39.2176.8-178.863.8000111.7A19 L20 G21 L25 Y26 V27A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 PolarHBondContact O-N 3.36Å; L20-L23 PolarHBondContact O-N 2.85Å; G21-L23 PolarHBondContact O-N 2.86Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.13Å; L23-Y26 HydrophobicContact CD1-CD1 4.44Å; L23-Y26 PolarHBondContact O-N 3.49Å; L23-V27 HydrophobicContact CD1-CG2 4.18Å; L23-V27 HydrophobicContact CG-CG2 4.43Å; L23-V27 WeakPolarHBondContact O-CB 3.45Å; L23-V27 VanDerWaalsContact O-CG2 3.32Å; L23-V27 WeakPolarHBondContact O-CG2 3.24Å; L23-V27 PolarHBondContact O-N 2.82Å
24V94.9Very high93.7Very high32 Ų3259.1 Ų59.119%0.19435%0.351CS..Hα-helixtrans-60.3-44.7175.4168.50000110.9L20 G21 A22 A28 F223 L226L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.35Å; L20-V24 PolarHBondContact O-N 3.24Å; G21-V24 WeakPolarHBondContact O-CB 3.26Å; G21-V24 PolarHBondContact O-N 3.4Å; A22-V24 VanDerWaalsContact C-N 3.31Å; A22-V24 PolarHBondContact O-N 3.37Å; V24-A28 PolarHBondContact O-N 2.99Å; V24-F223 HydrophobicContact CG1-CD2 4.06Å; V24-F223 HydrophobicContact CG2-CD2 3.97Å; V24-L226 HydrophobicContact CG1-CD2 3.75Å; V24-L226 VanDerWaalsContact O-CD2 3.31Å; V24-L226 WeakPolarHBondContact O-CD2 3.49Å
25L94.9Very high93Very high87 Ų8760.1 Ų60.146%0.45536%0.355SS..Hα-helixtrans-65.9-42.5176.7-63.7-178.1000111.9G21 A22 L23 V27 A28 C222 L226G21-L25 PolarHBondContact O-N 3.46Å; A22-L25 PolarHBondContact O-N 2.97Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.13Å; L25-V27 PolarHBondContact O-N 2.94Å; L25-A28 WeakPolarHBondContact O-CA 3.45Å; L25-A28 PolarHBondContact O-N 3.49Å; L25-A28 VanDerWaalsContact O-N 3.16Å; L25-C222 HydrophobicContact CD1-CB 4.26Å; L25-C222 HydrophobicContact CD2-CB 4.25Å; L25-C222 HydrophobicContact CG-CB 4.03Å; L25-L226 HydrophobicContact CD2-CB 4.33Å
26Y95.6Very high92.3Very high197 Ų19759.5 Ų59.577%0.77334%0.341SS*.Hα-helixtrans-60.8-44.9178.1176.6-100.4000112.4A22 L23 A28A22-Y26 WeakPolarHBondContact O-CB 3.14Å; A22-Y26 PolarHBondContact O-N 2.9Å; L23-Y26 HydrophobicContact CD1-CD1 4.44Å; L23-Y26 PolarHBondContact O-N 3.49Å; Y26-A28 PolarHBondContact O-N 3.37Å
27V93.6Very high91.4Very high77 Ų7757.2 Ų57.247%0.46733%0.327SS..Hα-helixtrans-65.2-30178170.30000111.3L23 L25 K29L23-V27 HydrophobicContact CD1-CG2 4.18Å; L23-V27 HydrophobicContact CG-CG2 4.43Å; L23-V27 WeakPolarHBondContact O-CB 3.45Å; L23-V27 VanDerWaalsContact O-CG2 3.32Å; L23-V27 WeakPolarHBondContact O-CG2 3.24Å; L23-V27 PolarHBondContact O-N 2.82Å; L25-V27 PolarHBondContact O-N 2.94Å; V27-K29 HydrophobicContact CG1-CB 4.1Å; V27-K29 PolarHBondContact O-N 2.84Å
28A92.3Very high89.7Confident51 Ų5164 Ų6442%0.42136%0.359SS..  trans56.4-9.2177.100000116.4V24 L25 Y26 H230V24-A28 PolarHBondContact O-N 2.99Å; L25-A28 WeakPolarHBondContact O-CA 3.45Å; L25-A28 PolarHBondContact O-N 3.49Å; L25-A28 VanDerWaalsContact O-N 3.16Å; Y26-A28 PolarHBondContact O-N 3.37Å; A28-H230 PolarHBondContact O-CE1 3.28Å; A28-H230 PolarHBondContact O-NE2 3.15Å
29K89.3Confident87.6Confident160 Ų16066.5 Ų66.570%0.69638%0.379SS*.SBendtrans-87.3138.5175.2-65.4-178.8-178.6-178.80109.7V27V27-K29 HydrophobicContact CG1-CB 4.1Å; V27-K29 PolarHBondContact O-N 2.84Å
30P87Confident85.2Confident35 Ų3571.1 Ų71.123%0.22740%0.395CS..PPolyproline II helixtrans-65.3149.7176.229.1-33.1000110G32 H36 H230P30-G32 PolarHBondContact O-N 3.48Å; P30-H36 HydrophobicContact CB-CB 4Å; P30-H36 HydrophobicContact CG-CB 3.52Å; P30-H230 HydrophobicContact CB-CB 4.19Å; P30-H230 HydrophobicContact CG-CB 4.36Å
31S83.1Confident83.1Confident49 Ų4974.8 Ų74.834%0.34341%0.408SS..PPolyproline II helixtrans-58.6135.6170-71.10000110.6Y33 F223S31-Y33 VanDerWaalsContact CB-CE1 3.43Å; S31-Y33 PolarHBondContact O-N 2.91Å; S31-F223 WeakPolarHBondContact OG-CE2 3.35Å
32G84.4Confident81.3Confident33 Ų3379 Ų7934%0.3444%0.436SS..SBendtrans-73.149.5-169.100000115.6P30P30-G32 PolarHBondContact O-N 3.48Å
33Y84.6Confident79.4Confident17 Ų1780.5 Ų80.57%0.06745%0.448CS..SBendtrans-136.3159.8173.567.3-88.5000111.9S31 K35 W53 Y107 L111 F223 R227S31-Y33 VanDerWaalsContact CB-CE1 3.43Å; S31-Y33 PolarHBondContact O-N 2.91Å; Y33-K35 PolarHBondContact O-N 2.9Å; Y33-W53 HydrophobicContact CE2-CH2 4.37Å; Y33-W53 AromaticContact CE2-CZ2 3.83Å; Y33-W53 HydrophobicContact CE2-CZ2 3.83Å; Y33-Y107 HydrophobicContact CD1-CE2 4.09Å; Y33-Y107 HydrophobicContact CD2-CD2 4.12Å; Y33-Y107 AromaticContact CD2-CE2 3.36Å; Y33-Y107 HydrophobicContact CD2-CE2 3.36Å; Y33-Y107 AromaticContact CE2-CE2 3.82Å; Y33-Y107 HydrophobicContact CE2-CE2 3.82Å; Y33-Y107 HydrophobicContact CG-CD2 4.23Å; Y33-Y107 AromaticContact CG-CE2 3.47Å; Y33-Y107 HydrophobicContact CG-CE2 3.47Å; Y33-Y107 VanDerWaalsContact CG-CE2 3.47Å; Y33-L111 HydrophobicContact CD1-CD1 3.87Å; Y33-L111 HydrophobicContact CG-CD1 4.45Å; Y33-F223 HydrophobicContact CE1-CZ 4.34Å; Y33-R227 PolarHBondContact OH-NH1 3.43Å
34G87.5Confident77.7Confident23 Ų2380.9 Ų80.924%0.23747%0.465CS..G310 helixtrans68.5-128.4-174.100000111.8H36 T37 R105 Y178G34-H36 PolarHBondContact O-N 3.48Å; G34-T37 WeakPolarHBondContact O-CG2 3.36Å; G34-T37 PolarHBondContact O-N 3.48Å; G34-R105 WeakPolarHBondContact O-CD 3.22Å; G34-R105 PolarHBondContact O-NH1 2.86Å; G34-Y178 VanDerWaalsContact C-OH 3.23Å; G34-Y178 PolarHBondContact O-OH 2.63Å
35K85Confident77.1Confident25 Ų2582.3 Ų82.311%0.10947%0.473CS..G310 helixtrans-61.1-28.4-176.4-71.8167.5-175.8161.10113.4Y33 Y178 H231 F234 Y235Y33-K35 PolarHBondContact O-N 2.9Å; K35-Y178 VanDerWaalsContact CA-OH 3.23Å; K35-Y178 WeakPolarHBondContact CA-OH 3.16Å; K35-Y178 HydrophobicContact CB-CE1 4.39Å; K35-Y178 HydrophobicContact CD-CD1 4.38Å; K35-Y178 HydrophobicContact CD-CE1 4.08Å; K35-Y178 HydrophobicContact CG-CD1 3.85Å; K35-Y178 HydrophobicContact CG-CE1 3.19Å; K35-Y178 HydrophobicContact CG-CE2 4.12Å; K35-Y178 PolarHBondContact N-OH 2.78Å; K35-Y178 VanDerWaalsContact N-OH 3.15Å; K35-H231 PolarHBondContact NZ-ND1 3.42Å; K35-F234 HydrophobicContact CB-CD2 4.28Å; K35-F234 HydrophobicContact CB-CE2 4.39Å; K35-F234 HydrophobicContact CB-CG 4.47Å; K35-F234 HydrophobicContact CD-CB 4.4Å; K35-F234 HydrophobicContact CD-CD1 3.64Å; K35-F234 HydrophobicContact CD-CE1 3.97Å; K35-F234 HydrophobicContact CD-CG 3.93Å; K35-F234 HydrophobicContact CG-CD1 4.24Å; K35-F234 HydrophobicContact CG-CE1 4.18Å; K35-F234 HydrophobicContact CG-CE2 4.47Å; K35-F234 HydrophobicContact CG-CG 4.42Å; K35-F234 HydrophobicContact CG-CZ 4.29Å; K35-Y235 PolarHBondContact NZ-OH 3.35Å
36H83.8Confident76.6Confident46 Ų4681 Ų8121%0.21346%0.463CS..G310 helixtrans-107.421.7-170.5-49.4-68.4000113P30 G34 H231P30-H36 HydrophobicContact CB-CB 4Å; P30-H36 HydrophobicContact CG-CB 3.52Å; G34-H36 PolarHBondContact O-N 3.48Å; H36-H231 AromaticContact NE2-CD2 3.59Å
37T78.9Confident76.4Confident32 Ų3274.5 Ų74.520%0.19644%0.441CS..  trans-76.4127.3168-170.80000109.3G34G34-T37 WeakPolarHBondContact O-CG2 3.36Å; G34-T37 PolarHBondContact O-N 3.48Å
38E62.4Low76.3Confident152 Ų15275 Ų7571%0.7145%0.445SS*.  trans-71.9137167.5-67.6174-179.100109.1L40 R46E38-L40 PolarHBondContact O-N 3.36Å; E38-L40 VanDerWaalsContact O-N 3.15Å; E38-R46 PolarHBondContact O-NH2 2.99Å
39S54.6Low76.4Confident114 Ų11472.9 Ų72.980%0.79743%0.428SS*.THydrogen-bonded Turntrans-67.4-8.9-176.6-170.60000113.7K41S39-K41 PolarHBondContact O-N 2.89Å
40L48.8Very low76.6Confident156 Ų15672.6 Ų72.682%0.81742%0.422SS*.THydrogen-bonded Turntrans-85.1-8.8-160.2-69.2163.7000115.7E38E38-L40 PolarHBondContact O-N 3.36Å; E38-L40 VanDerWaalsContact O-N 3.15Å
41K53.2Low77.1Confident142 Ų14272.9 Ų72.962%0.61743%0.428SS*.SBendtrans-88.4140.2177.3-67.6-169178.3-174.10112.4S39 R46S39-K41 PolarHBondContact O-N 2.89Å; K41-R46 PolarHBondContact O-NH1 3.44Å; K41-R46 PolarHBondContact O-NH2 3.35Å; K41-R46 VanDerWaalsContact O-NH2 3.16Å
42P58.4Low77.6Confident88 Ų8870.5 Ų70.557%0.57141%0.411SS*.  trans-57.1143-179.2-23.231.5000113A44 T45P42-A44 PolarHBondContact O-N 3.29Å; P42-A44 VanDerWaalsContact O-N 3.13Å; P42-T45 PolarHBondContact O-N 3.08Å; P42-T45 VanDerWaalsContact O-N 3.12Å; P42-T45 PolarHBondContact O-OG1 3.04Å
43A57.5Low78.2Confident81 Ų8170.5 Ų70.567%0.66940%0.401SS*.G310 helixtrans-54.5-30.1177.200000113.3T45 R46A43-T45 PolarHBondContact O-N 3.45Å; A43-R46 PolarHBondContact O-N 3.11Å; A43-R46 VanDerWaalsContact O-N 3.15Å
44A61.3Low78.9Confident101 Ų10172.2 Ų72.284%0.83541%0.409SS*.G310 helixtrans-61.1-1117800000115P42P42-A44 PolarHBondContact O-N 3.29Å; P42-A44 VanDerWaalsContact O-N 3.13Å
45T82.1Confident79.4Confident62 Ų6274.7 Ų74.738%0.3842%0.416SS..G310 helixtrans-10415.517962.70000113.4P42 A43 A109P42-T45 PolarHBondContact O-N 3.08Å; P42-T45 VanDerWaalsContact O-N 3.12Å; P42-T45 PolarHBondContact O-OG1 3.04Å; A43-T45 PolarHBondContact O-N 3.45Å; T45-A109 VanDerWaalsContact O-CB 3.3Å; T45-A109 WeakPolarHBondContact O-CB 3.21Å; T45-A109 PolarHBondContact O-N 2.94Å
46R85.8Confident79.9Confident61 Ų6174.2 Ų74.223%0.2342%0.415CS..EExtended strand (participates in β ladder)trans-124.7143-176.4-59.3-171.6178.895.8-2.1112.1E38 K41 A43 P106 Y107E38-R46 PolarHBondContact O-NH2 2.99Å; K41-R46 PolarHBondContact O-NH1 3.44Å; K41-R46 PolarHBondContact O-NH2 3.35Å; K41-R46 VanDerWaalsContact O-NH2 3.16Å; A43-R46 PolarHBondContact O-N 3.11Å; A43-R46 VanDerWaalsContact O-N 3.15Å; R46-P106 HydrophobicContact CB-CB 3.85Å; R46-Y107 CarbonylContact C-O 3.25Å; R46-Y107 VanDerWaalsContact CA-O 3.24Å; R46-Y107 WeakPolarHBondContact CA-O 3.38Å
47L90.1Very high80.6Confident60 Ų6072.8 Ų72.831%0.31441%0.408SS..EExtended strand (participates in β ladder)trans-107.6156.7172.8-78.281.9000110.9A49 A52 P106 Y107 A109 I112L47-A49 PolarHBondContact O-N 2.92Å; L47-A52 HydrophobicContact CB-CB 4.4Å; L47-P106 CarbonylContact O-C 3.26Å; L47-P106 WeakPolarHBondContact O-CA 3.36Å; L47-Y107 PolarHBondContact N-O 3.48Å; L47-Y107 PolarHBondContact O-N 3.06Å; L47-A109 HydrophobicContact CD1-CB 3.64Å; L47-I112 HydrophobicContact CB-CD1 4.03Å; L47-I112 HydrophobicContact CD1-CD1 3.8Å; L47-I112 HydrophobicContact CD2-CD1 4.05Å; L47-I112 HydrophobicContact CG-CD1 4.17Å
48P93Very high81.5Confident86 Ų8673.8 Ų73.856%0.55841%0.412SS*.  trans-52.6134.5168.4-24.934.5000111R50 A51 A52P48-R50 PolarHBondContact O-N 3.28Å; P48-R50 VanDerWaalsContact O-N 3.12Å; P48-A51 PolarHBondContact O-N 3.41Å; P48-A51 VanDerWaalsContact O-N 3.09Å; P48-A52 PolarHBondContact O-N 2.91Å
49A92.8Very high83.2Confident7 Ų767.6 Ų67.66%0.05839%0.385CS..Hα-helixtrans-54.5-37.3-175.500000113L47 A52 W53 G104 R105L47-A49 PolarHBondContact O-N 2.92Å; A49-A52 PolarHBondContact O-N 2.94Å; A49-W53 WeakPolarHBondContact O-CB 3.42Å; A49-W53 VanDerWaalsContact O-CD1 3.23Å; A49-W53 PolarHBondContact O-N 2.91Å; A49-G104 WeakPolarHBondContact CB-O 3.21Å; A49-R105 WeakPolarHBondContact CB-O 3.28Å
50R95.1Very high85.3Confident154 Ų15462.2 Ų62.258%0.58135%0.347SS*.Hα-helixtrans-58.2-51.9177.8-66.2-174.4-79.4160.3-3.2112P48 F54 S99 L100 N102P48-R50 PolarHBondContact O-N 3.28Å; P48-R50 VanDerWaalsContact O-N 3.12Å; R50-F54 VanDerWaalsContact O-CB 3.24Å; R50-F54 WeakPolarHBondContact O-CB 3.37Å; R50-F54 PolarHBondContact O-N 3.44Å; R50-S99 VanDerWaalsContact CA-O 3.29Å; R50-S99 WeakPolarHBondContact CA-O 3.04Å; R50-S99 WeakPolarHBondContact CG-O 3.4Å; R50-L100 WeakPolarHBondContact CD-O 3.4Å; R50-N102 HydrophobicContact CG-CB 4.23Å; R50-N102 VanDerWaalsContact CG-O 3.24Å; R50-N102 WeakPolarHBondContact CG-O 3.39Å
51A96.1Very high87.7Confident41 Ų4156.9 Ų56.934%0.33932%0.317SS..Hα-helixtrans-66.4-42178.300000111.7P48 F54 L55P48-A51 PolarHBondContact O-N 3.41Å; P48-A51 VanDerWaalsContact O-N 3.09Å; A51-F54 PolarHBondContact O-N 3.5Å; A51-L55 WeakPolarHBondContact O-CB 3.33Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.39Å; A51-L55 PolarHBondContact O-N 3.25Å
52A95.3Very high89.8Confident0 Ų052.4 Ų52.40%031%0.307CS..Hα-helixtrans-61.2-48.7-178.900000112.6L47 P48 A49 Q56 Y107 I112L47-A52 HydrophobicContact CB-CB 4.4Å; P48-A52 PolarHBondContact O-N 2.91Å; A49-A52 PolarHBondContact O-N 2.94Å; A52-Q56 VanDerWaalsContact O-CB 3.22Å; A52-Q56 WeakPolarHBondContact O-CB 3.37Å; A52-Q56 PolarHBondContact O-N 3.28Å; A52-Y107 VanDerWaalsContact CB-CB 3.49Å; A52-Y107 HydrophobicContact CB-CD1 3.87Å; A52-Y107 HydrophobicContact CB-CG 3.82Å; A52-I112 HydrophobicContact CB-CD1 3.58Å; A52-I112 HydrophobicContact CB-CG1 3.95Å
53W96.6Very high91.7Very high33 Ų3350.5 Ų50.513%0.12529%0.293CS..Hα-helixtrans-69.4-38.8177.3-7982.2000111.9Y33 A49 L55 Q56 E57 Y98 S99 N102 Y107Y33-W53 HydrophobicContact CE2-CH2 4.37Å; Y33-W53 AromaticContact CE2-CZ2 3.83Å; Y33-W53 HydrophobicContact CE2-CZ2 3.83Å; A49-W53 WeakPolarHBondContact O-CB 3.42Å; A49-W53 VanDerWaalsContact O-CD1 3.23Å; A49-W53 PolarHBondContact O-N 2.91Å; W53-L55 PolarHBondContact O-N 3.46Å; W53-Q56 PolarHBondContact O-N 2.85Å; W53-E57 HydrophobicContact CE3-CG 4.08Å; W53-E57 WeakPolarHBondContact O-CB 3.41Å; W53-E57 WeakPolarHBondContact O-CG 3.41Å; W53-E57 PolarHBondContact O-N 3.47Å; W53-Y98 AromaticContact CD2-CE1 3.95Å; W53-Y98 HydrophobicContact CD2-CE1 3.95Å; W53-Y98 HydrophobicContact CE3-CD1 4.47Å; W53-Y98 AromaticContact CE3-CE1 3.77Å; W53-Y98 HydrophobicContact CE3-CE1 3.77Å; W53-Y98 HydrophobicContact CG-CE1 4.5Å; W53-Y98 HydrophobicContact CH2-CE1 4.45Å; W53-Y98 HydrophobicContact CZ3-CE1 4.04Å; W53-S99 WeakPolarHBondContact CB-OG 3.34Å; W53-N102 PolarHBondContact NE1-ND2 3.26Å; W53-Y107 AromaticContact NE1-CD2 3.89Å; W53-Y107 AromaticContact NE1-CE2 3.96Å
54F98.3Very high93.6Very high52 Ų5246.6 Ų46.623%0.22826%0.261CS..Hα-helixtrans-58.2-51.1175.9178.9-90.8000111.4R50 A51 Q56 L58 T95 F96 L100R50-F54 VanDerWaalsContact O-CB 3.24Å; R50-F54 WeakPolarHBondContact O-CB 3.37Å; R50-F54 PolarHBondContact O-N 3.44Å; A51-F54 PolarHBondContact O-N 3.5Å; F54-Q56 VanDerWaalsContact C-N 3.33Å; F54-Q56 PolarHBondContact O-N 2.9Å; F54-L58 HydrophobicContact CE1-CD2 4.03Å; F54-L58 HydrophobicContact CZ-CD1 4.45Å; F54-L58 HydrophobicContact CZ-CD2 4.38Å; F54-L58 WeakPolarHBondContact O-CB 3.34Å; F54-L58 PolarHBondContact O-N 3.32Å; F54-L58 VanDerWaalsContact O-N 3.07Å; F54-T95 HydrophobicContact CD2-CG2 3.74Å; F54-T95 HydrophobicContact CE2-CG2 3.78Å; F54-T95 HydrophobicContact CG-CG2 4.44Å; F54-T95 HydrophobicContact CZ-CG2 4.5Å; F54-F96 AromaticContact CE2-CD1 3.78Å; F54-F96 HydrophobicContact CE2-CD1 3.78Å; F54-F96 AromaticContact CE2-CE1 3.72Å; F54-F96 HydrophobicContact CE2-CE1 3.72Å; F54-F96 HydrophobicContact CZ-CE1 4.07Å; F54-L100 HydrophobicContact CB-CD2 4.49Å; F54-L100 HydrophobicContact CD2-CD2 3.71Å; F54-L100 HydrophobicContact CD2-CG 4.32Å; F54-L100 HydrophobicContact CE2-CD2 4.31Å; F54-L100 HydrophobicContact CG-CD2 4.31Å
55L97.5Very high95.3Very high75 Ų7543.2 Ų43.239%0.39323%0.233SC..Hα-helixtrans-63.6-40179.7-69.3172.7000112.1A51 W53 P59 I112 I116A51-L55 WeakPolarHBondContact O-CB 3.33Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.39Å; A51-L55 PolarHBondContact O-N 3.25Å; W53-L55 PolarHBondContact O-N 3.46Å; L55-P59 WeakPolarHBondContact O-CD 3.31Å; L55-I112 HydrophobicContact CB-CG2 4.25Å; L55-I116 HydrophobicContact CB-CD1 4.41Å; L55-I116 WeakPolarHBondContact O-CG1 3.48Å
56Q97.1Very high96Very high16 Ų1642 Ų428%0.07523%0.233CC..Hα-helixtrans-63.4-46.8-179.5-178.2176.5-6400112.5A52 W53 F54 P59 Y107 C119A52-Q56 VanDerWaalsContact O-CB 3.22Å; A52-Q56 WeakPolarHBondContact O-CB 3.37Å; A52-Q56 PolarHBondContact O-N 3.28Å; W53-Q56 PolarHBondContact O-N 2.85Å; F54-Q56 VanDerWaalsContact C-N 3.33Å; F54-Q56 PolarHBondContact O-N 2.9Å; Q56-P59 WeakPolarHBondContact O-CD 3.47Å; Q56-Y107 PolarHBondContact OE1-OH 2.96Å; Q56-Y107 VanDerWaalsContact OE1-OH 3.05Å; Q56-C119 WeakPolarHBondContact O-CB 3.46Å; Q56-C119 PolarHBondContact O-SG 3.01Å
57E97.7Very high96.4Very high16 Ų1640.1 Ų40.18%0.07523%0.227CC..Hα-helixtrans-88.1-23.4-169.5-55.9-63.8142.900112.5W53 P59 S60 Y91 R94W53-E57 HydrophobicContact CE3-CG 4.08Å; W53-E57 WeakPolarHBondContact O-CB 3.41Å; W53-E57 WeakPolarHBondContact O-CG 3.41Å; W53-E57 PolarHBondContact O-N 3.47Å; E57-P59 VanDerWaalsContact C-CD 3.41Å; E57-S60 PolarHBondContact O-N 2.97Å; E57-S60 VanDerWaalsContact O-N 3.08Å; E57-Y91 WeakPolarHBondContact OE2-CE1 3.09Å; E57-R94 HydrophobicContact CB-CG 4.11Å; E57-R94 HydrophobicContact CG-CG 3.8Å
58L98.4Very high96.6Very high53 Ų5339.3 Ų39.328%0.27722%0.223SC..Hα-helixtrans-51.3-41.8-177.9179.165.7000114.6F54 S60 F61 A62 T95 F96F54-L58 HydrophobicContact CE1-CD2 4.03Å; F54-L58 HydrophobicContact CZ-CD1 4.45Å; F54-L58 HydrophobicContact CZ-CD2 4.38Å; F54-L58 WeakPolarHBondContact O-CB 3.34Å; F54-L58 PolarHBondContact O-N 3.32Å; F54-L58 VanDerWaalsContact O-N 3.07Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 2.94Å; L58-F61 HydrophobicContact CD1-CD1 4.45Å; L58-F61 PolarHBondContact O-N 3.4Å; L58-A62 HydrophobicContact CD1-CB 4.4Å; L58-A62 HydrophobicContact CG-CB 4.48Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.26Å; L58-T95 HydrophobicContact CB-CG2 4.01Å; L58-T95 HydrophobicContact CD1-CG2 4Å; L58-F96 HydrophobicContact CD1-CZ 3.93Å
59P98.4Very high96.6Very high22 Ų2239.3 Ų39.314%0.14323%0.23CC..Hα-helixtrans-60.2-36.6179.1-24.334.5000113.7L55 Q56 E57 F61 V63 I116 C119 A120L55-P59 WeakPolarHBondContact O-CD 3.31Å; Q56-P59 WeakPolarHBondContact O-CD 3.47Å; E57-P59 VanDerWaalsContact C-CD 3.41Å; P59-F61 PolarHBondContact O-N 3.46Å; P59-V63 WeakPolarHBondContact O-CB 3.45Å; P59-V63 WeakPolarHBondContact O-CG2 3.34Å; P59-V63 PolarHBondContact O-N 3.11Å; P59-I116 HydrophobicContact CG-CG2 4.09Å; P59-C119 HydrophobicContact CB-CB 4.27Å; P59-C119 HydrophobicContact CG-CB 4.49Å; P59-A120 HydrophobicContact CB-CB 3.78Å; P59-A120 HydrophobicContact CG-CB 4.49Å
60S98Very high96.6Very high0 Ų048.9 Ų48.90%027%0.265CS..Hα-helixtrans-73-9.8176.2-75.70000113.3E57 L58 P64 F87 Y91 C119E57-S60 PolarHBondContact O-N 2.97Å; E57-S60 VanDerWaalsContact O-N 3.08Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 2.94Å; S60-P64 WeakPolarHBondContact O-CD 3.48Å; S60-P64 VanDerWaalsContact O-CG 3.26Å; S60-P64 WeakPolarHBondContact O-CG 3.33Å; S60-F87 WeakPolarHBondContact O-CE1 3.46Å; S60-Y91 VanDerWaalsContact CB-CZ 3.48Å; S60-C119 VanDerWaalsContact OG-C 3.26Å; S60-C119 WeakPolarHBondContact OG-CA 3.42Å; S60-C119 WeakPolarHBondContact OG-CB 3.4Å; S60-C119 PolarHBondContact OG-O 2.77Å
61F98.5Very high96.4Very high45 Ų4544.1 Ų44.120%0.19725%0.249CC..Hα-helixtrans-94.4-53.1164.9171.4-100.6000111.5L58 P59 V63 P64 A65 F92 F96L58-F61 HydrophobicContact CD1-CD1 4.45Å; L58-F61 PolarHBondContact O-N 3.4Å; P59-F61 PolarHBondContact O-N 3.46Å; F61-V63 PolarHBondContact O-N 2.93Å; F61-P64 WeakPolarHBondContact O-CD 3.29Å; F61-A65 HydrophobicContact CE1-CB 4.28Å; F61-A65 HydrophobicContact CE2-CB 4.33Å; F61-A65 HydrophobicContact CZ-CB 4.13Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 2.95Å; F61-F92 HydrophobicContact CD2-CB 3.88Å; F61-F92 HydrophobicContact CE2-CB 3.75Å; F61-F92 AromaticContact CE2-CD2 3.83Å; F61-F92 HydrophobicContact CE2-CD2 3.83Å; F61-F92 HydrophobicContact CE2-CG 4.29Å; F61-F92 AromaticContact CZ-CD2 3.97Å; F61-F92 HydrophobicContact CZ-CD2 3.97Å; F61-F96 AromaticContact CD1-CE2 3.44Å; F61-F96 HydrophobicContact CD1-CE2 3.44Å; F61-F96 VanDerWaalsContact CD1-CE2 3.44Å; F61-F96 AromaticContact CD1-CZ 3.82Å; F61-F96 HydrophobicContact CD1-CZ 3.82Å; F61-F96 HydrophobicContact CD2-CE2 4.32Å; F61-F96 AromaticContact CE1-CE2 3.51Å; F61-F96 HydrophobicContact CE1-CE2 3.51Å; F61-F96 AromaticContact CE1-CZ 3.84Å; F61-F96 HydrophobicContact CE1-CZ 3.84Å; F61-F96 HydrophobicContact CE2-CE2 4.4Å; F61-F96 AromaticContact CG-CE2 3.86Å; F61-F96 HydrophobicContact CG-CE2 3.86Å; F61-F96 HydrophobicContact CZ-CE2 4.01Å
62A98.3Very high96.1Very high47 Ų4747.2 Ų47.239%0.38827%0.266SS..Hα-helixtrans-66.6-38.9-168.100000112.9L58 G66L58-A62 HydrophobicContact CD1-CB 4.4Å; L58-A62 HydrophobicContact CG-CB 4.48Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.26Å; A62-G66 PolarHBondContact O-N 3.3Å
63V97.3Very high95.5Very high48 Ų4856.1 Ų56.129%0.29131%0.312SS..Hα-helixtrans-66.6-54.6178.6171.60000110.9P59 F61 A65 G66 I67 F124P59-V63 WeakPolarHBondContact O-CB 3.45Å; P59-V63 WeakPolarHBondContact O-CG2 3.34Å; P59-V63 PolarHBondContact O-N 3.11Å; F61-V63 PolarHBondContact O-N 2.93Å; V63-A65 PolarHBondContact O-N 3.09Å; V63-G66 PolarHBondContact O-N 3.29Å; V63-I67 HydrophobicContact CG1-CD1 4.16Å; V63-I67 PolarHBondContact O-N 3.22Å; V63-I67 VanDerWaalsContact O-N 3.1Å; V63-F124 HydrophobicContact CG1-CB 4.1Å; V63-F124 HydrophobicContact CG1-CD2 4.27Å
64P97.3Very high94.8Very high0 Ų058 Ų580%033%0.331CS..Hα-helixtrans-55.9-45.1172.7-29.236000114.5S60 F61 G66 I67 L68 L84 F87 C88 S127S60-P64 WeakPolarHBondContact O-CD 3.48Å; S60-P64 VanDerWaalsContact O-CG 3.26Å; S60-P64 WeakPolarHBondContact O-CG 3.33Å; F61-P64 WeakPolarHBondContact O-CD 3.29Å; P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 3.15Å; P64-I67 PolarHBondContact O-N 3.46Å; P64-I67 VanDerWaalsContact O-N 3.16Å; P64-L68 PolarHBondContact O-N 3.44Å; P64-L84 HydrophobicContact CB-CD1 3.87Å; P64-L84 HydrophobicContact CB-CG 4.35Å; P64-L84 HydrophobicContact CG-CD1 4.47Å; P64-F87 HydrophobicContact CB-CD1 4.34Å; P64-F87 HydrophobicContact CG-CD1 3.82Å; P64-F87 HydrophobicContact CG-CE1 3.79Å; P64-C88 WeakPolarHBondContact CB-SG 3.18Å; P64-S127 WeakPolarHBondContact CA-OG 3.44Å; P64-S127 WeakPolarHBondContact CB-OG 3.4Å; P64-S127 VanDerWaalsContact CG-OG 3.22Å; P64-S127 WeakPolarHBondContact CG-OG 3.45Å
65A97.4Very high93.5Very high30 Ų3063.4 Ų63.425%0.24836%0.361CS..Hα-helixtrans-63-40.1-179.700000111.7F61 V63 I67 L68 A69F61-A65 HydrophobicContact CE1-CB 4.28Å; F61-A65 HydrophobicContact CE2-CB 4.33Å; F61-A65 HydrophobicContact CZ-CB 4.13Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 2.95Å; V63-A65 PolarHBondContact O-N 3.09Å; A65-I67 VanDerWaalsContact C-N 3.33Å; A65-I67 PolarHBondContact O-N 3.04Å; A65-L68 PolarHBondContact O-N 2.91Å; A65-A69 WeakPolarHBondContact O-CB 3.03Å; A65-A69 PolarHBondContact O-N 2.03Å
66G96.4Very high92.5Very high36 Ų3666.3 Ų66.337%0.37138%0.376SS..Hα-helixtrans-65.1-33.9175.200000113.3A62 V63 P64A62-G66 PolarHBondContact O-N 3.3Å; V63-G66 PolarHBondContact O-N 3.29Å; P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 3.15Å
67I94.7Very high91.9Very high22 Ų2266.1 Ų66.111%0.11338%0.379CS..Hα-helixtrans-72.8-43.6174.5-69.6168.1000110.7V63 P64 A65 A69 R70 L84 I131V63-I67 HydrophobicContact CG1-CD1 4.16Å; V63-I67 PolarHBondContact O-N 3.22Å; V63-I67 VanDerWaalsContact O-N 3.1Å; P64-I67 PolarHBondContact O-N 3.46Å; P64-I67 VanDerWaalsContact O-N 3.16Å; A65-I67 VanDerWaalsContact C-N 3.33Å; A65-I67 PolarHBondContact O-N 3.04Å; I67-A69 VanDerWaalsContact C-N 3.32Å; I67-A69 PolarHBondContact O-N 3.2Å; I67-R70 PolarHBondContact O-N 2.98Å; I67-R70 VanDerWaalsContact O-N 3.17Å; I67-L84 HydrophobicContact CG2-CD2 4.39Å; I67-I131 HydrophobicContact CG2-CB 4.31Å; I67-I131 HydrophobicContact CG2-CG1 3.77Å; I67-I131 HydrophobicContact CG2-CG2 4.35Å
68L93.9Very high91.6Very high43 Ų4369.3 Ų69.323%0.22540%0.401CS..Hα-helixtrans-61.2-38175.1-78178.5000112.5P64 A65 R70 Q71 L84 C88P64-L68 PolarHBondContact O-N 3.44Å; A65-L68 PolarHBondContact O-N 2.91Å; L68-R70 PolarHBondContact O-N 3.31Å; L68-Q71 WeakPolarHBondContact O-CB 3.3Å; L68-Q71 PolarHBondContact O-N 3Å; L68-L84 HydrophobicContact CD1-CG 4.16Å; L68-L84 HydrophobicContact CD2-CB 4.11Å; L68-L84 HydrophobicContact CD2-CD2 3.82Å; L68-L84 HydrophobicContact CD2-CG 4.07Å; L68-L84 HydrophobicContact CG-CB 4.48Å; L68-L84 HydrophobicContact CG-CD2 3.8Å; L68-L84 HydrophobicContact CG-CG 3.95Å; L68-C88 HydrophobicContact CD1-CB 4.35Å; L68-C88 VanDerWaalsContact CD1-SG 3.57Å
69A94.2Very high91.5Very high86 Ų8667.8 Ų67.871%0.71139%0.394SS*.THydrogen-bonded Turntrans-62.3-15.4177.800000113.7A65 I67A65-A69 WeakPolarHBondContact O-CB 3.03Å; A65-A69 PolarHBondContact O-N 2.03Å; I67-A69 VanDerWaalsContact C-N 3.32Å; I67-A69 PolarHBondContact O-N 3.2Å
70R92.8Very high91.4Very high207 Ų20766.9 Ų66.978%0.78139%0.389SS*.THydrogen-bonded Turntrans-95.3-3.7174.6-61.1179.4-178.6-173.1-0.6113.3I67 L68I67-R70 PolarHBondContact O-N 2.98Å; I67-R70 VanDerWaalsContact O-N 3.17Å; L68-R70 PolarHBondContact O-N 3.31Å
71Q91Very high91.3Very high54 Ų5468.1 Ų68.125%0.25240%0.396SS..SBendtrans-91152.4177.4-57.7-51.4-49.300110.5L68 L73 T81 I131L68-Q71 WeakPolarHBondContact O-CB 3.3Å; L68-Q71 PolarHBondContact O-N 3Å; Q71-L73 PolarHBondContact O-N 3.02Å; Q71-T81 HydrophobicContact CB-CG2 4.48Å; Q71-T81 HydrophobicContact CG-CG2 4.27Å; Q71-I131 HydrophobicContact CG-CD1 4.21Å
72P88.8Confident91.2Very high107 Ų10767.9 Ų67.970%0.69540%0.399SS*.  trans-62.2137.5173.826.7-34.2000110.7S74P72-S74 PolarHBondContact O-N 3.46Å; P72-S74 VanDerWaalsContact O-N 3.12Å
73L82.9Confident91.2Very high186 Ų18665.7 Ų65.797%0.97438%0.38SS*.  trans-72.3103.8177.1-74.1158.6000109.7Q71Q71-L73 PolarHBondContact O-N 3.02Å
74S82.8Confident91.2Very high73 Ų7363.4 Ų63.451%0.5137%0.367SS..  trans-142.3130.1170.81790000109.7P72 L76 G77P72-S74 PolarHBondContact O-N 3.46Å; P72-S74 VanDerWaalsContact O-N 3.12Å; S74-L76 VanDerWaalsContact C-N 3.29Å; S74-L76 PolarHBondContact O-N 3.24Å; S74-G77 PolarHBondContact OG-N 3.33Å
75L69.9Low91.2Very high166 Ų16664.4 Ų64.487%0.86938%0.377SS*.THydrogen-bonded Turntrans-67.4-31.6-177.4-152.892000112.2
76L77.6Confident91.3Very high135 Ų13564.8 Ų64.871%0.70738%0.375SS*.THydrogen-bonded Turntrans-123.753.8177.4-68.3171.4000109.5S74S74-L76 VanDerWaalsContact C-N 3.29Å; S74-L76 PolarHBondContact O-N 3.24Å
77G82.8Confident91.4Very high13 Ų1363.1 Ų63.113%0.13436%0.357CS..  trans-74.2-159.9175.300000113.1S74 Y141S74-G77 PolarHBondContact OG-N 3.33Å; G77-Y141 PolarHBondContact O-OH 3.44Å
78P93Very high91.6Very high83 Ų8362.6 Ų62.654%0.53936%0.356SS..  trans-53.4136.5172.4-24.534.3000111.2G80 T81 V82P78-G80 PolarHBondContact O-N 3.18Å; P78-T81 HydrophobicContact CB-CG2 4.41Å; P78-T81 HydrophobicContact CG-CG2 4.47Å; P78-T81 PolarHBondContact O-N 3.44Å; P78-T81 PolarHBondContact O-OG1 2.93Å; P78-V82 PolarHBondContact O-N 3.26Å
79P95.9Very high91.8Very high20 Ų2064.4 Ų64.413%0.1337%0.368CS..Hα-helixtrans-53.8-34.7-176.8-27.133.4000114T81 V82 L83 Y136 W140 Y141P79-T81 VanDerWaalsContact C-N 3.33Å; P79-T81 PolarHBondContact O-N 2.85Å; P79-V82 PolarHBondContact O-N 3.01Å; P79-L83 WeakPolarHBondContact O-CB 3.48Å; P79-L83 WeakPolarHBondContact O-CD1 3.4Å; P79-L83 VanDerWaalsContact O-CG 3.24Å; P79-L83 WeakPolarHBondContact O-CG 3.37Å; P79-L83 PolarHBondContact O-N 3.39Å; P79-Y136 HydrophobicContact CB-CD1 4.37Å; P79-Y136 HydrophobicContact CB-CD2 3.85Å; P79-Y136 HydrophobicContact CB-CE2 4.29Å; P79-Y136 HydrophobicContact CB-CG 3.9Å; P79-Y136 HydrophobicContact CG-CD2 4.25Å; P79-Y136 HydrophobicContact CG-CG 4.09Å; P79-W140 HydrophobicContact CB-CG 4.41Å; P79-W140 HydrophobicContact CG-CB 4.01Å; P79-W140 HydrophobicContact CG-CG 4.37Å; P79-Y141 HydrophobicContact CG-CD2 4.47Å; P79-Y141 HydrophobicContact CG-CE2 3.91Å
80G96.3Very high92Very high3 Ų360.5 Ų60.53%0.03134%0.335CS..Hα-helixtrans-58.8-36.9175.900000114.2P78 L84P78-G80 PolarHBondContact O-N 3.18Å; G80-L84 WeakPolarHBondContact O-CB 3.39Å; G80-L84 PolarHBondContact O-N 3.47Å
81T96Very high92.3Very high26 Ų2651 Ų5116%0.1630%0.299CS..Hα-helixtrans-71.9-39.8178.161.70000111.3Q71 P78 P79 L84 G85 I131Q71-T81 HydrophobicContact CB-CG2 4.48Å; Q71-T81 HydrophobicContact CG-CG2 4.27Å; P78-T81 HydrophobicContact CB-CG2 4.41Å; P78-T81 HydrophobicContact CG-CG2 4.47Å; P78-T81 PolarHBondContact O-N 3.44Å; P78-T81 PolarHBondContact O-OG1 2.93Å; P79-T81 VanDerWaalsContact C-N 3.33Å; P79-T81 PolarHBondContact O-N 2.85Å; T81-L84 PolarHBondContact O-N 2.69Å; T81-G85 PolarHBondContact O-N 3.18Å; T81-I131 HydrophobicContact CG2-CD1 3.66Å
82V96.4Very high92.7Very high41 Ų4153.4 Ų53.425%0.24831%0.309CS..Hα-helixtrans-64.1-45.3176.5176.30000110.7P78 P79 G85 L86 Y141P78-V82 PolarHBondContact O-N 3.26Å; P79-V82 PolarHBondContact O-N 3.01Å; V82-G85 WeakPolarHBondContact O-CA 3.36Å; V82-G85 PolarHBondContact O-N 2.95Å; V82-L86 PolarHBondContact O-N 3.46Å; V82-Y141 VanDerWaalsContact CG2-OH 3.3Å; V82-Y141 WeakPolarHBondContact CG2-OH 3.37Å
83L98.1Very high93.1Very high0 Ų049.7 Ų49.70%028%0.283CS..Hα-helixtrans-64.3-41.1177.4-68.2164.4000111.6P79 G85 L86 F87 L130 Y136 F146 V150 Y204 A207 T208P79-L83 WeakPolarHBondContact O-CB 3.48Å; P79-L83 WeakPolarHBondContact O-CD1 3.4Å; P79-L83 VanDerWaalsContact O-CG 3.24Å; P79-L83 WeakPolarHBondContact O-CG 3.37Å; P79-L83 PolarHBondContact O-N 3.39Å; L83-G85 PolarHBondContact O-N 3.15Å; L83-L86 HydrophobicContact CD2-CD1 4.27Å; L83-L86 WeakPolarHBondContact O-CB 3.09Å; L83-L86 PolarHBondContact O-N 3.28Å; L83-L86 VanDerWaalsContact O-N 3.08Å; L83-F87 PolarHBondContact O-N 2.88Å; L83-F87 VanDerWaalsContact O-N 3.11Å; L83-L130 HydrophobicContact CB-CD1 4.31Å; L83-Y136 HydrophobicContact CD1-CE1 4.37Å; L83-F146 HydrophobicContact CD1-CE2 4.34Å; L83-F146 HydrophobicContact CD2-CD2 4.31Å; L83-F146 HydrophobicContact CD2-CE2 3.85Å; L83-F146 HydrophobicContact CG-CE2 4.1Å; L83-V150 HydrophobicContact CD2-CG2 4.42Å; L83-Y204 WeakPolarHBondContact O-CE2 3.35Å; L83-Y204 PolarHBondContact O-OH 3.45Å; L83-A207 HydrophobicContact CD2-CB 3.67Å; L83-T208 HydrophobicContact CB-CG2 4.04Å; L83-T208 HydrophobicContact CD1-CG2 3.93Å; L83-T208 HydrophobicContact CD2-CG2 4.36Å; L83-T208 HydrophobicContact CG-CG2 4.34Å
84L97.9Very high93.9Very high0 Ų041.2 Ų41.20%024%0.238CC..Hα-helixtrans-62.5-33.6172.1-173.760.2000111.8P64 I67 L68 G80 T81 F87 C88 L130 I131P64-L84 HydrophobicContact CB-CD1 3.87Å; P64-L84 HydrophobicContact CB-CG 4.35Å; P64-L84 HydrophobicContact CG-CD1 4.47Å; I67-L84 HydrophobicContact CG2-CD2 4.39Å; L68-L84 HydrophobicContact CD1-CG 4.16Å; L68-L84 HydrophobicContact CD2-CB 4.11Å; L68-L84 HydrophobicContact CD2-CD2 3.82Å; L68-L84 HydrophobicContact CD2-CG 4.07Å; L68-L84 HydrophobicContact CG-CB 4.48Å; L68-L84 HydrophobicContact CG-CD2 3.8Å; L68-L84 HydrophobicContact CG-CG 3.95Å; G80-L84 WeakPolarHBondContact O-CB 3.39Å; G80-L84 PolarHBondContact O-N 3.47Å; T81-L84 PolarHBondContact O-N 2.69Å; L84-F87 HydrophobicContact CD1-CB 4.41Å; L84-F87 WeakPolarHBondContact O-CB 3.38Å; L84-F87 PolarHBondContact O-N 2.89Å; L84-C88 PolarHBondContact O-N 3.07Å; L84-L130 HydrophobicContact CB-CD1 4.01Å; L84-L130 HydrophobicContact CD1-CD1 4.33Å; L84-I131 HydrophobicContact CD2-CD1 3.9Å; L84-I131 HydrophobicContact CD2-CG1 3.68Å
85G97.4Very high94.6Very high21 Ų2137.7 Ų37.722%0.21621%0.213CC..Hα-helixtrans-58.7-43.9170.100000112.8T81 V82 L83 F87 C88 V89T81-G85 PolarHBondContact O-N 3.18Å; V82-G85 WeakPolarHBondContact O-CA 3.36Å; V82-G85 PolarHBondContact O-N 2.95Å; L83-G85 PolarHBondContact O-N 3.15Å; G85-F87 VanDerWaalsContact C-N 3.33Å; G85-F87 PolarHBondContact O-N 3.44Å; G85-C88 WeakPolarHBondContact O-CB 3.35Å; G85-C88 PolarHBondContact O-N 2.86Å; G85-V89 WeakPolarHBondContact O-CG2 3.37Å; G85-V89 PolarHBondContact O-N 3.16Å
86L98.3Very high96Very high39 Ų3932.9 Ų32.920%0.20419%0.185CC..Hα-helixtrans-61.7-41.2174.9-63.6-178.9000111.9V82 L83 C88 V89 H90 V150 F153V82-L86 PolarHBondContact O-N 3.46Å; L83-L86 HydrophobicContact CD2-CD1 4.27Å; L83-L86 WeakPolarHBondContact O-CB 3.09Å; L83-L86 PolarHBondContact O-N 3.28Å; L83-L86 VanDerWaalsContact O-N 3.08Å; L86-C88 VanDerWaalsContact C-N 3.34Å; L86-C88 PolarHBondContact O-N 3.39Å; L86-V89 PolarHBondContact O-N 3.41Å; L86-V89 VanDerWaalsContact O-N 3.15Å; L86-H90 PolarHBondContact O-N 3.1Å; L86-V150 HydrophobicContact CD1-CG1 4.47Å; L86-V150 HydrophobicContact CD1-CG2 4.18Å; L86-F153 HydrophobicContact CB-CD1 4.36Å; L86-F153 HydrophobicContact CB-CE1 3.82Å; L86-F153 HydrophobicContact CB-CZ 3.99Å; L86-F153 HydrophobicContact CD1-CD1 4.28Å; L86-F153 HydrophobicContact CD2-CE1 4.44Å; L86-F153 HydrophobicContact CG-CE1 4.5Å; L86-F153 WeakPolarHBondContact O-CZ 3.45Å
87F98.7Very high97Very high0 Ų028.9 Ų28.90%017%0.166CC..Hα-helixtrans-59.5-44.6173.3-169.8-86000111.6S60 P64 L83 L84 G85 V89 H90 Y91 Q126 W201 Y204 F216S60-F87 WeakPolarHBondContact O-CE1 3.46Å; P64-F87 HydrophobicContact CB-CD1 4.34Å; P64-F87 HydrophobicContact CG-CD1 3.82Å; P64-F87 HydrophobicContact CG-CE1 3.79Å; L83-F87 PolarHBondContact O-N 2.88Å; L83-F87 VanDerWaalsContact O-N 3.11Å; L84-F87 HydrophobicContact CD1-CB 4.41Å; L84-F87 WeakPolarHBondContact O-CB 3.38Å; L84-F87 PolarHBondContact O-N 2.89Å; G85-F87 VanDerWaalsContact C-N 3.33Å; G85-F87 PolarHBondContact O-N 3.44Å; F87-V89 VanDerWaalsContact C-N 3.33Å; F87-V89 PolarHBondContact O-N 3.17Å; F87-H90 PolarHBondContact O-N 3.46Å; F87-Y91 AromaticContact CD1-CD2 3.71Å; F87-Y91 HydrophobicContact CD1-CD2 3.71Å; F87-Y91 HydrophobicContact CD1-CE2 4.11Å; F87-Y91 HydrophobicContact CD2-CE2 4.29Å; F87-Y91 AromaticContact CE1-CD2 3.38Å; F87-Y91 HydrophobicContact CE1-CD2 3.38Å; F87-Y91 AromaticContact CE1-CE2 3.45Å; F87-Y91 HydrophobicContact CE1-CE2 3.45Å; F87-Y91 VanDerWaalsContact CE1-CE2 3.45Å; F87-Y91 HydrophobicContact CE1-CG 4.44Å; F87-Y91 HydrophobicContact CE2-CD2 4.23Å; F87-Y91 AromaticContact CE2-CE2 3.65Å; F87-Y91 HydrophobicContact CE2-CE2 3.65Å; F87-Y91 HydrophobicContact CG-CD2 4.27Å; F87-Y91 HydrophobicContact CG-CE2 4.49Å; F87-Y91 AromaticContact CZ-CD2 3.68Å; F87-Y91 HydrophobicContact CZ-CD2 3.68Å; F87-Y91 AromaticContact CZ-CE2 3.19Å; F87-Y91 HydrophobicContact CZ-CE2 3.19Å; F87-Y91 WeakPolarHBondContact O-CD2 2.97Å; F87-Y91 PolarHBondContact O-N 3.07Å; F87-Q126 HydrophobicContact CE2-CB 4.2Å; F87-Q126 HydrophobicContact CE2-CG 3.85Å; F87-Q126 HydrophobicContact CZ-CB 4.29Å; F87-Q126 HydrophobicContact CZ-CG 4.08Å; F87-W201 AromaticContact CD2-CH2 3.8Å; F87-W201 HydrophobicContact CD2-CH2 3.8Å; F87-W201 AromaticContact CD2-CZ3 3.63Å; F87-W201 HydrophobicContact CD2-CZ3 3.63Å; F87-W201 AromaticContact CE2-CH2 3.85Å; F87-W201 HydrophobicContact CE2-CH2 3.85Å; F87-W201 AromaticContact CE2-CZ3 3.87Å; F87-W201 HydrophobicContact CE2-CZ3 3.87Å; F87-Y204 HydrophobicContact CB-CE2 4.14Å; F87-Y204 WeakPolarHBondContact CB-OH 3.48Å; F87-Y204 HydrophobicContact CD2-CE1 4Å; F87-Y204 AromaticContact CD2-CZ 3.9Å; F87-F216 HydrophobicContact CE2-CE1 4.28Å
88C98.3Very high97.7Very high12 Ų1229.8 Ų29.88%0.08117%0.166CC..Hα-helixtrans-60-40.8173-78.50000112.6P64 L68 L84 G85 L86 Y91 F92P64-C88 WeakPolarHBondContact CB-SG 3.18Å; L68-C88 HydrophobicContact CD1-CB 4.35Å; L68-C88 VanDerWaalsContact CD1-SG 3.57Å; L84-C88 PolarHBondContact O-N 3.07Å; G85-C88 WeakPolarHBondContact O-CB 3.35Å; G85-C88 PolarHBondContact O-N 2.86Å; L86-C88 VanDerWaalsContact C-N 3.34Å; L86-C88 PolarHBondContact O-N 3.39Å; C88-Y91 PolarHBondContact O-N 3.34Å; C88-F92 WeakPolarHBondContact O-CB 3.35Å; C88-F92 PolarHBondContact O-N 3.46Å
89V98.6Very high97.9Very high81 Ų8125.9 Ų25.949%0.49114%0.14SC..Hα-helixtrans-63-44.8178.9167.90000111.1G85 L86 F87 F92 H93 M157G85-V89 WeakPolarHBondContact O-CG2 3.37Å; G85-V89 PolarHBondContact O-N 3.16Å; L86-V89 PolarHBondContact O-N 3.41Å; L86-V89 VanDerWaalsContact O-N 3.15Å; F87-V89 VanDerWaalsContact C-N 3.33Å; F87-V89 PolarHBondContact O-N 3.17Å; V89-F92 PolarHBondContact O-N 3.37Å; V89-H93 PolarHBondContact O-N 3.39Å; V89-H93 VanDerWaalsContact O-N 3.1Å; V89-M157 HydrophobicContact CG1-CE 4.06Å; V89-M157 HydrophobicContact CG1-SD 4.47Å
90H98.8Very high97.9Very high3 Ų328.9 Ų28.91%0.01416%0.155CC..Hα-helixtrans-55.9-55.3172.9174.794.5000111.1L86 F87 F92 H93 R94 F153 E197 E200 W201L86-H90 PolarHBondContact O-N 3.1Å; F87-H90 PolarHBondContact O-N 3.46Å; H90-F92 VanDerWaalsContact C-N 3.29Å; H90-F92 PolarHBondContact O-N 3Å; H90-H93 PolarHBondContact O-N 3.22Å; H90-H93 VanDerWaalsContact O-N 3.15Å; H90-R94 PolarHBondContact O-N 3.32Å; H90-F153 HydrophobicContact CB-CZ 4.16Å; H90-E197 IonicContact CE1-OE1 3.42Å; H90-E197 IonicContact NE2-OE1 3.71Å; H90-E200 IonicContact CE1-OE1 3.27Å; H90-E200 IonicContact CE1-OE2 2.76Å; H90-E200 PolarHBondContact CE1-OE2 3.36Å; H90-E200 IonicContact CG-OE1 3.8Å; H90-E200 IonicContact ND1-OE1 2.9Å; H90-E200 PolarHBondContact ND1-OE1 3.16Å; H90-E200 IonicContact ND1-OE2 3.76Å; H90-E200 PolarHBondContact ND1-OE2 3.4Å; H90-W201 HydrophobicContact CB-CH2 4.24Å; H90-W201 AromaticContact CD2-CH2 3.87Å; H90-W201 AromaticContact CD2-CZ2 3.54Å; H90-W201 AromaticContact CE1-CZ2 3.75Å; H90-W201 AromaticContact CG-CH2 3.89Å; H90-W201 AromaticContact CG-CZ2 3.79Å; H90-W201 AromaticContact ND1-CZ2 3.93Å; H90-W201 AromaticContact NE2-CZ2 3.56Å
91Y98.7Very high97.9Very high8 Ų833 Ų333%0.03118%0.176CC..Hα-helixtrans-72.1-23.1-175-82.8-76.2000113.5E57 S60 F87 C88 R94 T95 W201E57-Y91 WeakPolarHBondContact OE2-CE1 3.09Å; S60-Y91 VanDerWaalsContact CB-CZ 3.48Å; F87-Y91 AromaticContact CD1-CD2 3.71Å; F87-Y91 HydrophobicContact CD1-CD2 3.71Å; F87-Y91 HydrophobicContact CD1-CE2 4.11Å; F87-Y91 HydrophobicContact CD2-CE2 4.29Å; F87-Y91 AromaticContact CE1-CD2 3.38Å; F87-Y91 HydrophobicContact CE1-CD2 3.38Å; F87-Y91 AromaticContact CE1-CE2 3.45Å; F87-Y91 HydrophobicContact CE1-CE2 3.45Å; F87-Y91 VanDerWaalsContact CE1-CE2 3.45Å; F87-Y91 HydrophobicContact CE1-CG 4.44Å; F87-Y91 HydrophobicContact CE2-CD2 4.23Å; F87-Y91 AromaticContact CE2-CE2 3.65Å; F87-Y91 HydrophobicContact CE2-CE2 3.65Å; F87-Y91 HydrophobicContact CG-CD2 4.27Å; F87-Y91 HydrophobicContact CG-CE2 4.49Å; F87-Y91 AromaticContact CZ-CD2 3.68Å; F87-Y91 HydrophobicContact CZ-CD2 3.68Å; F87-Y91 AromaticContact CZ-CE2 3.19Å; F87-Y91 HydrophobicContact CZ-CE2 3.19Å; F87-Y91 WeakPolarHBondContact O-CD2 2.97Å; F87-Y91 PolarHBondContact O-N 3.07Å; C88-Y91 PolarHBondContact O-N 3.34Å; Y91-R94 HydrophobicContact CD1-CB 4.47Å; Y91-T95 WeakPolarHBondContact O-CB 3.41Å; Y91-T95 PolarHBondContact O-N 3.28Å; Y91-T95 PolarHBondContact O-OG1 3.13Å; Y91-W201 HydrophobicContact CD2-CH2 4.41Å; Y91-W201 AromaticContact CE2-CH2 3.81Å; Y91-W201 HydrophobicContact CE2-CH2 3.81Å; Y91-W201 AromaticContact CE2-CZ2 3.99Å; Y91-W201 HydrophobicContact CE2-CZ2 3.99Å
92F98.8Very high97.8Very high104 Ų10432.8 Ų32.846%0.45617%0.173SC..Hα-helixtrans-62.8-51.6167.8178-94000110.1F61 C88 V89 H90 T95 F96F61-F92 HydrophobicContact CD2-CB 3.88Å; F61-F92 HydrophobicContact CE2-CB 3.75Å; F61-F92 AromaticContact CE2-CD2 3.83Å; F61-F92 HydrophobicContact CE2-CD2 3.83Å; F61-F92 HydrophobicContact CE2-CG 4.29Å; F61-F92 AromaticContact CZ-CD2 3.97Å; F61-F92 HydrophobicContact CZ-CD2 3.97Å; C88-F92 WeakPolarHBondContact O-CB 3.35Å; C88-F92 PolarHBondContact O-N 3.46Å; V89-F92 PolarHBondContact O-N 3.37Å; H90-F92 VanDerWaalsContact C-N 3.29Å; H90-F92 PolarHBondContact O-N 3Å; F92-T95 PolarHBondContact O-N 2.86Å; F92-F96 HydrophobicContact CB-CD2 4.5Å; F92-F96 AromaticContact CD2-CD2 3.39Å; F92-F96 HydrophobicContact CD2-CD2 3.39Å; F92-F96 AromaticContact CD2-CE2 3.86Å; F92-F96 HydrophobicContact CD2-CE2 3.86Å; F92-F96 HydrophobicContact CD2-CG 4.26Å; F92-F96 HydrophobicContact CE2-CB 4.32Å; F92-F96 AromaticContact CE2-CD2 3.68Å; F92-F96 HydrophobicContact CE2-CD2 3.68Å; F92-F96 HydrophobicContact CE2-CE2 4.29Å; F92-F96 HydrophobicContact CE2-CG 4.13Å; F92-F96 HydrophobicContact CG-CD2 4.04Å; F92-F96 HydrophobicContact CZ-CB 4.41Å; F92-F96 WeakPolarHBondContact O-CD2 3.43Å; F92-F96 PolarHBondContact O-N 2.7Å
93H98.7Very high97.6Very high30 Ų3034.2 Ų34.214%0.13918%0.175CC..Iπ-helixtrans-60.7-48.5175.9174.4-88.9000111.1V89 H90 T95 V97 Y98 M157 I161V89-H93 PolarHBondContact O-N 3.39Å; V89-H93 VanDerWaalsContact O-N 3.1Å; H90-H93 PolarHBondContact O-N 3.22Å; H90-H93 VanDerWaalsContact O-N 3.15Å; H93-T95 VanDerWaalsContact C-N 3.31Å; H93-T95 PolarHBondContact O-N 3.4Å; H93-V97 CarbonylContact O-C 3.59Å; H93-V97 WeakPolarHBondContact O-CA 3.44Å; H93-V97 VanDerWaalsContact O-CB 3.3Å; H93-V97 WeakPolarHBondContact O-CB 3.27Å; H93-V97 PolarHBondContact O-N 3.49Å; H93-Y98 PolarHBondContact O-N 3.12Å; H93-M157 HydrophobicContact CB-CE 4Å; H93-I161 VanDerWaalsContact CE1-CG1 3.45Å; H93-I161 WeakPolarHBondContact CE1-CG1 3.42Å
94R98.4Very high97.2Very high7 Ų735.5 Ų35.53%0.02619%0.187CC..Iπ-helixtrans-58.8-41.6-179.4-17960.473.2-146.8-1.2112E57 H90 Y91 Y98 S99 N160 D164 E197E57-R94 HydrophobicContact CB-CG 4.11Å; E57-R94 HydrophobicContact CG-CG 3.8Å; H90-R94 PolarHBondContact O-N 3.32Å; Y91-R94 HydrophobicContact CD1-CB 4.47Å; R94-Y98 VanDerWaalsContact NH1-CD2 3.28Å; R94-S99 PolarHBondContact O-N 2.95Å; R94-S99 VanDerWaalsContact O-N 3.09Å; R94-S99 PolarHBondContact O-OG 2.97Å; R94-N160 PolarHBondContact NH2-ND2 2.63Å; R94-N160 PolarHBondContact NH2-OD1 3.04Å; R94-D164 IonicContact CZ-OD2 3.49Å; R94-D164 IonicContact NH1-OD2 3.88Å; R94-D164 PolarHBondContact NH1-OD2 3.45Å; R94-D164 IonicContact NH2-OD2 2.79Å; R94-E197 IonicContact CZ-OE1 2.81Å; R94-E197 IonicContact NE-OE1 3.18Å; R94-E197 VanDerWaalsContact NH2-CD 3.32Å; R94-E197 IonicContact NH2-OE1 3.44Å; R94-E197 PolarHBondContact NH2-OE1 3.01Å; R94-E197 IonicContact NH2-OE2 3.66Å; R94-E197 PolarHBondContact NH2-OE2 3.07Å
95T98.3Very high96.8Very high0 Ų038 Ų380%020%0.197CC..Iπ-helixtrans-81.2-56.4-176.9-55.20000112.3F54 L58 Y91 F92 H93 S99F54-T95 HydrophobicContact CD2-CG2 3.74Å; F54-T95 HydrophobicContact CE2-CG2 3.78Å; F54-T95 HydrophobicContact CG-CG2 4.44Å; F54-T95 HydrophobicContact CZ-CG2 4.5Å; L58-T95 HydrophobicContact CB-CG2 4.01Å; L58-T95 HydrophobicContact CD1-CG2 4Å; Y91-T95 WeakPolarHBondContact O-CB 3.41Å; Y91-T95 PolarHBondContact O-N 3.28Å; Y91-T95 PolarHBondContact O-OG1 3.13Å; F92-T95 PolarHBondContact O-N 2.86Å; H93-T95 VanDerWaalsContact C-N 3.31Å; H93-T95 PolarHBondContact O-N 3.4Å; T95-S99 VanDerWaalsContact O-CB 3.27Å; T95-S99 WeakPolarHBondContact O-CB 3.45Å
96F98.6Very high96.5Very high65 Ų6540.2 Ų40.229%0.28521%0.207SC..Iπ-helixtrans-91.5-19.5-169.3-58.1-80.6000113.7F54 L58 F61 F92 L100F54-F96 AromaticContact CE2-CD1 3.78Å; F54-F96 HydrophobicContact CE2-CD1 3.78Å; F54-F96 AromaticContact CE2-CE1 3.72Å; F54-F96 HydrophobicContact CE2-CE1 3.72Å; F54-F96 HydrophobicContact CZ-CE1 4.07Å; L58-F96 HydrophobicContact CD1-CZ 3.93Å; F61-F96 AromaticContact CD1-CE2 3.44Å; F61-F96 HydrophobicContact CD1-CE2 3.44Å; F61-F96 VanDerWaalsContact CD1-CE2 3.44Å; F61-F96 AromaticContact CD1-CZ 3.82Å; F61-F96 HydrophobicContact CD1-CZ 3.82Å; F61-F96 HydrophobicContact CD2-CE2 4.32Å; F61-F96 AromaticContact CE1-CE2 3.51Å; F61-F96 HydrophobicContact CE1-CE2 3.51Å; F61-F96 AromaticContact CE1-CZ 3.84Å; F61-F96 HydrophobicContact CE1-CZ 3.84Å; F61-F96 HydrophobicContact CE2-CE2 4.4Å; F61-F96 AromaticContact CG-CE2 3.86Å; F61-F96 HydrophobicContact CG-CE2 3.86Å; F61-F96 HydrophobicContact CZ-CE2 4.01Å; F92-F96 HydrophobicContact CB-CD2 4.5Å; F92-F96 AromaticContact CD2-CD2 3.39Å; F92-F96 HydrophobicContact CD2-CD2 3.39Å; F92-F96 AromaticContact CD2-CE2 3.86Å; F92-F96 HydrophobicContact CD2-CE2 3.86Å; F92-F96 HydrophobicContact CD2-CG 4.26Å; F92-F96 HydrophobicContact CE2-CB 4.32Å; F92-F96 AromaticContact CE2-CD2 3.68Å; F92-F96 HydrophobicContact CE2-CD2 3.68Å; F92-F96 HydrophobicContact CE2-CE2 4.29Å; F92-F96 HydrophobicContact CE2-CG 4.13Å; F92-F96 HydrophobicContact CG-CD2 4.04Å; F92-F96 HydrophobicContact CZ-CB 4.41Å; F92-F96 WeakPolarHBondContact O-CD2 3.43Å; F92-F96 PolarHBondContact O-N 2.7Å; F96-L100 WeakPolarHBondContact O-CD1 3.39Å; F96-L100 WeakPolarHBondContact O-CG 3.45Å
97V98.4Very high96.1Very high50 Ų5038.8 Ų38.830%0.30320%0.199SC..Iπ-helixtrans-107.1-60.8179.8-175.30000110.8H93 L101H93-V97 CarbonylContact O-C 3.59Å; H93-V97 WeakPolarHBondContact O-CA 3.44Å; H93-V97 VanDerWaalsContact O-CB 3.3Å; H93-V97 WeakPolarHBondContact O-CB 3.27Å; H93-V97 PolarHBondContact O-N 3.49Å; V97-L101 HydrophobicContact CG1-CD1 4.07Å; V97-L101 VanDerWaalsContact O-CB 3.29Å; V97-L101 WeakPolarHBondContact O-CB 3.32Å; V97-L101 VanDerWaalsContact O-CG 3.28Å; V97-L101 WeakPolarHBondContact O-CG 3.46Å; V97-L101 PolarHBondContact O-N 3.41Å
98Y98Very high95.7Very high33 Ų3339.9 Ų39.913%0.12921%0.206CC..Iπ-helixtrans-62.5-51.2-177.1169.6-93.2000111.9W53 H93 R94 L101 N102 D164W53-Y98 AromaticContact CD2-CE1 3.95Å; W53-Y98 HydrophobicContact CD2-CE1 3.95Å; W53-Y98 HydrophobicContact CE3-CD1 4.47Å; W53-Y98 AromaticContact CE3-CE1 3.77Å; W53-Y98 HydrophobicContact CE3-CE1 3.77Å; W53-Y98 HydrophobicContact CG-CE1 4.5Å; W53-Y98 HydrophobicContact CH2-CE1 4.45Å; W53-Y98 HydrophobicContact CZ3-CE1 4.04Å; H93-Y98 PolarHBondContact O-N 3.12Å; R94-Y98 VanDerWaalsContact NH1-CD2 3.28Å; Y98-L101 CarbonylContact O-C 3.55Å; Y98-L101 PolarHBondContact O-N 3.32Å; Y98-N102 PolarHBondContact O-N 2.8Å; Y98-D164 HydrophobicContact CD2-CB 4.04Å; Y98-D164 WeakPolarHBondContact CD2-OD2 3.39Å; Y98-D164 HydrophobicContact CE2-CB 4.05Å; Y98-D164 WeakPolarHBondContact CE2-OD2 3.5Å
99S97.3Very high95.2Very high0 Ų040.3 Ų40.30%021%0.211CC..Iπ-helixtrans-68.1-42.1-174.5-55.50000112.3R50 W53 R94 T95 L101 N102R50-S99 VanDerWaalsContact CA-O 3.29Å; R50-S99 WeakPolarHBondContact CA-O 3.04Å; R50-S99 WeakPolarHBondContact CG-O 3.4Å; W53-S99 WeakPolarHBondContact CB-OG 3.34Å; R94-S99 PolarHBondContact O-N 2.95Å; R94-S99 VanDerWaalsContact O-N 3.09Å; R94-S99 PolarHBondContact O-OG 2.97Å; T95-S99 VanDerWaalsContact O-CB 3.27Å; T95-S99 WeakPolarHBondContact O-CB 3.45Å; S99-L101 VanDerWaalsContact C-N 3.27Å; S99-L101 PolarHBondContact O-N 3.03Å; S99-N102 WeakPolarHBondContact O-CB 3.48Å; S99-N102 PolarHBondContact O-N 2.91Å
100L96.6Very high94.7Very high83 Ų8340.6 Ų40.644%0.43521%0.213SC..THydrogen-bonded Turntrans-66.7-29.1178.5-62.1-169.7000113R50 F54 F96R50-L100 WeakPolarHBondContact CD-O 3.4Å; F54-L100 HydrophobicContact CB-CD2 4.49Å; F54-L100 HydrophobicContact CD2-CD2 3.71Å; F54-L100 HydrophobicContact CD2-CG 4.32Å; F54-L100 HydrophobicContact CE2-CD2 4.31Å; F54-L100 HydrophobicContact CG-CD2 4.31Å; F96-L100 WeakPolarHBondContact O-CD1 3.39Å; F96-L100 WeakPolarHBondContact O-CG 3.45Å
101L96.1Very high94.3Very high90 Ų9042.2 Ų42.247%0.47122%0.221SC..THydrogen-bonded Turntrans-96.47.5177.3-60.1175000113.3V97 Y98 S99 R103 R168V97-L101 HydrophobicContact CG1-CD1 4.07Å; V97-L101 VanDerWaalsContact O-CB 3.29Å; V97-L101 WeakPolarHBondContact O-CB 3.32Å; V97-L101 VanDerWaalsContact O-CG 3.28Å; V97-L101 WeakPolarHBondContact O-CG 3.46Å; V97-L101 PolarHBondContact O-N 3.41Å; Y98-L101 CarbonylContact O-C 3.55Å; Y98-L101 PolarHBondContact O-N 3.32Å; S99-L101 VanDerWaalsContact C-N 3.27Å; S99-L101 PolarHBondContact O-N 3.03Å; L101-R103 PolarHBondContact O-N 3.48Å; L101-R168 VanDerWaalsContact CD1-NH1 3.26Å; L101-R168 VanDerWaalsContact O-CD 3.31Å; L101-R168 WeakPolarHBondContact O-CD 3.32Å; L101-R168 PolarHBondContact O-NE 2.76Å
102N93.4Very high94Very high21 Ų2142.2 Ų42.211%0.11222%0.222CC..  trans-65.9128.5-175.7-170.2-2.6000111.9R50 W53 Y98 S99 G104R50-N102 HydrophobicContact CG-CB 4.23Å; R50-N102 VanDerWaalsContact CG-O 3.24Å; R50-N102 WeakPolarHBondContact CG-O 3.39Å; W53-N102 PolarHBondContact NE1-ND2 3.26Å; Y98-N102 PolarHBondContact O-N 2.8Å; S99-N102 WeakPolarHBondContact O-CB 3.48Å; S99-N102 PolarHBondContact O-N 2.91Å; N102-G104 WeakPolarHBondContact OD1-CA 3.48Å; N102-G104 PolarHBondContact OD1-N 3.44Å
103R92.8Very high93.6Very high72 Ų7244.4 Ų44.427%0.27223%0.231SC..  trans-105.834.1175.1-58.9-175.7-1751650.9111.7L101 R168 R171L101-R103 PolarHBondContact O-N 3.48Å; R103-R168 WeakPolarHBondContact CD-O 3.36Å; R103-R168 HydrophobicContact CG-CG 4Å; R103-R168 PolarHBondContact NH1-O 3.44Å; R103-R171 HydrophobicContact CB-CB 4.37Å; R103-R171 WeakPolarHBondContact CD-O 3.25Å; R103-R171 PolarHBondContact NH1-O 2.9Å; R103-R171 WeakPolarHBondContact O-CD 3.48Å; R103-R171 PolarHBondContact O-NH1 2.88Å
104G89.1Confident93.3Very high26 Ų2651.4 Ų51.427%0.26826%0.256SS..PPolyproline II helixtrans-78.8159.7178.300000113A49 N102A49-G104 WeakPolarHBondContact CB-O 3.21Å; N102-G104 WeakPolarHBondContact OD1-CA 3.48Å; N102-G104 PolarHBondContact OD1-N 3.44Å
105R90.6Very high93.2Very high53 Ų5351.5 Ų51.520%0.226%0.26CS..PPolyproline II helixtrans-69.4158.3170.663.6176.453.8178-19.7111.9G34 A49 Y107 I176 Y178G34-R105 WeakPolarHBondContact O-CD 3.22Å; G34-R105 PolarHBondContact O-NH1 2.86Å; A49-R105 WeakPolarHBondContact CB-O 3.28Å; R105-Y107 PolarHBondContact O-N 3.32Å; R105-I176 HydrophobicContact CB-CD1 3.81Å; R105-I176 HydrophobicContact CB-CG2 4.3Å; R105-I176 VanDerWaalsContact NH2-CG2 3.3Å; R105-Y178 PolarHBondContact NE-OH 3.4Å; R105-Y178 PolarHBondContact NH1-OH 2.92Å; R105-Y178 VanDerWaalsContact NH2-CE2 3.31Å; R105-Y178 PolarHBondContact NH2-OH 3.25Å
106P90.1Very high93.1Very high67 Ų6754.2 Ų54.244%0.43527%0.274SS..PPolyproline II helixtrans-48.7135.3175.8-28.535.8000112.8R46 L47R46-P106 HydrophobicContact CB-CB 3.85Å; L47-P106 CarbonylContact O-C 3.26Å; L47-P106 WeakPolarHBondContact O-CA 3.36Å
107Y89.9Confident93Very high10 Ų1054.3 Ų54.34%0.03929%0.287CS..EExtended strand (participates in β ladder)trans-104.1136.2-168.9-166.5-88.2000110.9Y33 R46 L47 A52 W53 Q56 R105 A109 L111 I112Y33-Y107 HydrophobicContact CD1-CE2 4.09Å; Y33-Y107 HydrophobicContact CD2-CD2 4.12Å; Y33-Y107 AromaticContact CD2-CE2 3.36Å; Y33-Y107 HydrophobicContact CD2-CE2 3.36Å; Y33-Y107 AromaticContact CE2-CE2 3.82Å; Y33-Y107 HydrophobicContact CE2-CE2 3.82Å; Y33-Y107 HydrophobicContact CG-CD2 4.23Å; Y33-Y107 AromaticContact CG-CE2 3.47Å; Y33-Y107 HydrophobicContact CG-CE2 3.47Å; Y33-Y107 VanDerWaalsContact CG-CE2 3.47Å; R46-Y107 CarbonylContact C-O 3.25Å; R46-Y107 VanDerWaalsContact CA-O 3.24Å; R46-Y107 WeakPolarHBondContact CA-O 3.38Å; L47-Y107 PolarHBondContact N-O 3.48Å; L47-Y107 PolarHBondContact O-N 3.06Å; A52-Y107 VanDerWaalsContact CB-CB 3.49Å; A52-Y107 HydrophobicContact CB-CD1 3.87Å; A52-Y107 HydrophobicContact CB-CG 3.82Å; W53-Y107 AromaticContact NE1-CD2 3.89Å; W53-Y107 AromaticContact NE1-CE2 3.96Å; Q56-Y107 PolarHBondContact OE1-OH 2.96Å; Q56-Y107 VanDerWaalsContact OE1-OH 3.05Å; R105-Y107 PolarHBondContact O-N 3.32Å; Y107-A109 PolarHBondContact O-N 3.31Å; Y107-L111 HydrophobicContact CD1-CB 4.39Å; Y107-L111 HydrophobicContact CE1-CB 3.52Å; Y107-I112 HydrophobicContact CD1-CD1 4.35Å; Y107-I112 HydrophobicContact CD1-CG1 3.64Å; Y107-I112 HydrophobicContact CE1-CG1 3.89Å
108P90.3Very high93Very high22 Ų2254.1 Ų54.114%0.14328%0.282CS..EExtended strand (participates in β ladder)trans-64.2126.8-178.8-20.332.3000113.1V110 L111P108-V110 VanDerWaalsContact C-N 3.32Å; P108-V110 PolarHBondContact O-N 2.93Å; P108-L111 HydrophobicContact CB-CD1 4.2Å; P108-L111 HydrophobicContact CB-CG 4.18Å; P108-L111 HydrophobicContact CG-CD1 4.02Å; P108-L111 PolarHBondContact O-N 3.35Å
109A88.1Confident93Very high22 Ų2252.7 Ų52.718%0.18228%0.277CS..Hα-helixtrans-58.4-39.4-175.800000113.3T45 L47 Y107 L111 I112 F113T45-A109 VanDerWaalsContact O-CB 3.3Å; T45-A109 WeakPolarHBondContact O-CB 3.21Å; T45-A109 PolarHBondContact O-N 2.94Å; L47-A109 HydrophobicContact CD1-CB 3.64Å; Y107-A109 PolarHBondContact O-N 3.31Å; A109-L111 PolarHBondContact O-N 3.45Å; A109-I112 VanDerWaalsContact O-CB 3.31Å; A109-I112 WeakPolarHBondContact O-CB 3.43Å; A109-I112 PolarHBondContact O-N 2.85Å; A109-F113 WeakPolarHBondContact O-CD2 3.32Å
110V87.7Confident93Very high87 Ų8754.3 Ų54.353%0.52729%0.29SS..Hα-helixtrans-57.5-34.2177.9176.50000112.3P108 I112P108-V110 VanDerWaalsContact C-N 3.32Å; P108-V110 PolarHBondContact O-N 2.93Å; V110-I112 VanDerWaalsContact C-N 3.34Å
111L90.1Very high93.1Very high36 Ų3652.3 Ų52.319%0.18829%0.29CS..Hα-helixtrans-76.3-24.8179.8-62-177000112.2Y33 Y107 P108 A109 R114 G115Y33-L111 HydrophobicContact CD1-CD1 3.87Å; Y33-L111 HydrophobicContact CG-CD1 4.45Å; Y107-L111 HydrophobicContact CD1-CB 4.39Å; Y107-L111 HydrophobicContact CE1-CB 3.52Å; P108-L111 HydrophobicContact CB-CD1 4.2Å; P108-L111 HydrophobicContact CB-CG 4.18Å; P108-L111 HydrophobicContact CG-CD1 4.02Å; P108-L111 PolarHBondContact O-N 3.35Å; A109-L111 PolarHBondContact O-N 3.45Å; L111-R114 PolarHBondContact O-N 3.08Å; L111-G115 PolarHBondContact O-N 3.41Å
112I92.4Very high93.2Very high9 Ų948.2 Ų48.25%0.04627%0.268CS..Hα-helixtrans-63.7-48.4176-55.4175000109.4L47 A52 L55 Y107 A109 V110 R114 G115 I116L47-I112 HydrophobicContact CB-CD1 4.03Å; L47-I112 HydrophobicContact CD1-CD1 3.8Å; L47-I112 HydrophobicContact CD2-CD1 4.05Å; L47-I112 HydrophobicContact CG-CD1 4.17Å; A52-I112 HydrophobicContact CB-CD1 3.58Å; A52-I112 HydrophobicContact CB-CG1 3.95Å; L55-I112 HydrophobicContact CB-CG2 4.25Å; Y107-I112 HydrophobicContact CD1-CD1 4.35Å; Y107-I112 HydrophobicContact CD1-CG1 3.64Å; Y107-I112 HydrophobicContact CE1-CG1 3.89Å; A109-I112 VanDerWaalsContact O-CB 3.31Å; A109-I112 WeakPolarHBondContact O-CB 3.43Å; A109-I112 PolarHBondContact O-N 2.85Å; V110-I112 VanDerWaalsContact C-N 3.34Å; I112-R114 VanDerWaalsContact C-N 3.32Å; I112-R114 PolarHBondContact O-N 3.24Å; I112-G115 CarbonylContact O-C 3.57Å; I112-G115 PolarHBondContact O-N 2.78Å; I112-G115 VanDerWaalsContact O-N 3.12Å; I112-I116 HydrophobicContact CG2-CD1 3.8Å; I112-I116 HydrophobicContact CG2-CG1 4.21Å; I112-I116 WeakPolarHBondContact O-CG1 3.18Å; I112-I116 PolarHBondContact O-N 3.33Å
113F91.5Very high93.4Very high150 Ų15047.2 Ų47.266%0.65826%0.263SS*.Hα-helixtrans-59.1-42.5179.2-67.5-71.5000112.6A109 I116 A117A109-F113 WeakPolarHBondContact O-CD2 3.32Å; F113-I116 PolarHBondContact O-N 2.96Å; F113-A117 WeakPolarHBondContact O-CB 3.2Å; F113-A117 PolarHBondContact O-N 2.98Å
114R92.7Very high93.7Very high176 Ų17649.2 Ų49.266%0.66427%0.274SS*.Hα-helixtrans-63.8-42.6175.8-66.3-178.6179.5-169.5-2.6111.6L111 I112 A117 F118L111-R114 PolarHBondContact O-N 3.08Å; I112-R114 VanDerWaalsContact C-N 3.32Å; I112-R114 PolarHBondContact O-N 3.24Å; R114-A117 PolarHBondContact O-N 3.38Å; R114-F118 WeakPolarHBondContact O-CB 3.36Å; R114-F118 PolarHBondContact O-N 2.97Å
115G94.8Very high94.1Very high10 Ų1048.6 Ų48.610%0.10326%0.264CS..Hα-helixtrans-68.1-38.7178.400000113L111 I112 F118 C119L111-G115 PolarHBondContact O-N 3.41Å; I112-G115 CarbonylContact O-C 3.57Å; I112-G115 PolarHBondContact O-N 2.78Å; I112-G115 VanDerWaalsContact O-N 3.12Å; G115-F118 PolarHBondContact O-N 3.43Å; G115-C119 WeakPolarHBondContact O-CB 3.47Å; G115-C119 PolarHBondContact O-N 3.43Å; G115-C119 PolarHBondContact O-SG 3.05Å
116I96.8Very high94.5Very high56 Ų5646.2 Ų46.229%0.28726%0.256SS..Hα-helixtrans-60.2-48.8172.7-72173.6000110L55 P59 I112 F113 F118 C119 A120L55-I116 HydrophobicContact CB-CD1 4.41Å; L55-I116 WeakPolarHBondContact O-CG1 3.48Å; P59-I116 HydrophobicContact CG-CG2 4.09Å; I112-I116 HydrophobicContact CG2-CD1 3.8Å; I112-I116 HydrophobicContact CG2-CG1 4.21Å; I112-I116 WeakPolarHBondContact O-CG1 3.18Å; I112-I116 PolarHBondContact O-N 3.33Å; F113-I116 PolarHBondContact O-N 2.96Å; I116-F118 VanDerWaalsContact C-N 3.31Å; I116-F118 PolarHBondContact O-N 3.42Å; I116-C119 PolarHBondContact O-N 3.27Å; I116-A120 VanDerWaalsContact O-CB 3.23Å; I116-A120 WeakPolarHBondContact O-CB 3.41Å; I116-A120 PolarHBondContact O-N 3.34Å
117A96.9Very high94.8Very high67 Ų6743 Ų4355%0.55424%0.235SC*.Hα-helixtrans-60-43.4178.800000111.4F113 R114 G121F113-A117 WeakPolarHBondContact O-CB 3.2Å; F113-A117 PolarHBondContact O-N 2.98Å; R114-A117 PolarHBondContact O-N 3.38Å; A117-G121 PolarHBondContact O-N 3.48Å
118F97.7Very high95.2Very high46 Ų4644 Ų4420%0.20224%0.239CC..Hα-helixtrans-60.9-51.1174.8-178.9-88000111.8L17 L20 R114 G115 I116 A120 G121 N122 F216 F219L17-F118 HydrophobicContact CD2-CD2 4.42Å; L17-F118 HydrophobicContact CD2-CE2 3.49Å; L17-F118 VanDerWaalsContact CD2-CE2 3.49Å; L17-F118 HydrophobicContact CD2-CZ 3.78Å; L20-F118 HydrophobicContact CD1-CD2 4.15Å; L20-F118 HydrophobicContact CD1-CE2 4.28Å; R114-F118 WeakPolarHBondContact O-CB 3.36Å; R114-F118 PolarHBondContact O-N 2.97Å; G115-F118 PolarHBondContact O-N 3.43Å; I116-F118 VanDerWaalsContact C-N 3.31Å; I116-F118 PolarHBondContact O-N 3.42Å; F118-A120 PolarHBondContact O-N 3.11Å; F118-G121 PolarHBondContact O-N 2.9Å; F118-N122 HydrophobicContact CE1-CB 4.28Å; F118-N122 VanDerWaalsContact O-CB 3.23Å; F118-N122 WeakPolarHBondContact O-CB 3.47Å; F118-N122 PolarHBondContact O-N 2.9Å; F118-F216 AromaticContact CE1-CE2 3.93Å; F118-F216 HydrophobicContact CE1-CE2 3.93Å; F118-F216 HydrophobicContact CZ-CD2 4.14Å; F118-F216 AromaticContact CZ-CE2 3.89Å; F118-F216 HydrophobicContact CZ-CE2 3.89Å; F118-F219 HydrophobicContact CD2-CZ 4.28Å; F118-F219 HydrophobicContact CE1-CD1 4.41Å; F118-F219 AromaticContact CE1-CE1 3.92Å; F118-F219 HydrophobicContact CE1-CE1 3.92Å; F118-F219 AromaticContact CE2-CD1 3.9Å; F118-F219 HydrophobicContact CE2-CD1 3.9Å; F118-F219 HydrophobicContact CE2-CD2 4.2Å; F118-F219 AromaticContact CE2-CE1 3.56Å; F118-F219 HydrophobicContact CE2-CE1 3.56Å; F118-F219 AromaticContact CE2-CE2 3.89Å; F118-F219 HydrophobicContact CE2-CE2 3.89Å; F118-F219 HydrophobicContact CE2-CG 4.22Å; F118-F219 AromaticContact CE2-CZ 3.55Å; F118-F219 HydrophobicContact CE2-CZ 3.55Å; F118-F219 AromaticContact CZ-CD1 3.44Å; F118-F219 HydrophobicContact CZ-CD1 3.44Å; F118-F219 VanDerWaalsContact CZ-CD1 3.44Å; F118-F219 AromaticContact CZ-CE1 3.19Å; F118-F219 HydrophobicContact CZ-CE1 3.19Å; F118-F219 HydrophobicContact CZ-CE2 4.37Å; F118-F219 HydrophobicContact CZ-CG 4.14Å; F118-F219 AromaticContact CZ-CZ 3.71Å; F118-F219 HydrophobicContact CZ-CZ 3.71Å
119C98.1Very high95.6Very high3 Ų345.3 Ų45.32%0.0224%0.241CC..Hα-helixtrans-67.8-35.5-176.7-680000112.4Q56 P59 S60 G115 I116 G123Q56-C119 WeakPolarHBondContact O-CB 3.46Å; Q56-C119 PolarHBondContact O-SG 3.01Å; P59-C119 HydrophobicContact CB-CB 4.27Å; P59-C119 HydrophobicContact CG-CB 4.49Å; S60-C119 VanDerWaalsContact OG-C 3.26Å; S60-C119 WeakPolarHBondContact OG-CA 3.42Å; S60-C119 WeakPolarHBondContact OG-CB 3.4Å; S60-C119 PolarHBondContact OG-O 2.77Å; G115-C119 WeakPolarHBondContact O-CB 3.47Å; G115-C119 PolarHBondContact O-N 3.43Å; G115-C119 PolarHBondContact O-SG 3.05Å; I116-C119 PolarHBondContact O-N 3.27Å; C119-G123 WeakPolarHBondContact O-CA 3.42Å; C119-G123 PolarHBondContact O-N 3.39Å
120A97.8Very high96Very high34 Ų3444.7 Ų44.728%0.28123%0.234SC..Hα-helixtrans-67.3-48.217500000110.8P59 I116 F118 F124P59-A120 HydrophobicContact CB-CB 3.78Å; P59-A120 HydrophobicContact CG-CB 4.49Å; I116-A120 VanDerWaalsContact O-CB 3.23Å; I116-A120 WeakPolarHBondContact O-CB 3.41Å; I116-A120 PolarHBondContact O-N 3.34Å; F118-A120 PolarHBondContact O-N 3.11Å; A120-F124 VanDerWaalsContact O-CB 3.27Å; A120-F124 WeakPolarHBondContact O-CB 3.32Å; A120-F124 PolarHBondContact O-N 3.1Å
121G97.9Very high96.4Very high42 Ų4242 Ų4243%0.43322%0.217SC..Hα-helixtrans-63.4-47.5178.500000112.7A117 F118 F124 L125A117-G121 PolarHBondContact O-N 3.48Å; F118-G121 PolarHBondContact O-N 2.9Å; G121-F124 PolarHBondContact O-N 3.15Å; G121-L125 VanDerWaalsContact O-CB 3.29Å; G121-L125 WeakPolarHBondContact O-CB 3.45Å; G121-L125 PolarHBondContact O-N 2.82Å
122N98.4Very high96.6Very high3 Ų343.9 Ų43.92%0.01622%0.222CC..Hα-helixtrans-65-48.7177.7-172.148.3000111.3F118 F124 L125 Q126 F216F118-N122 HydrophobicContact CE1-CB 4.28Å; F118-N122 VanDerWaalsContact O-CB 3.23Å; F118-N122 WeakPolarHBondContact O-CB 3.47Å; F118-N122 PolarHBondContact O-N 2.9Å; N122-F124 VanDerWaalsContact C-N 3.29Å; N122-F124 PolarHBondContact O-N 3.43Å; N122-L125 PolarHBondContact O-N 3.15Å; N122-Q126 WeakPolarHBondContact O-CB 3.41Å; N122-Q126 WeakPolarHBondContact O-CG 3.44Å; N122-Q126 PolarHBondContact O-N 2.85Å; N122-F216 WeakPolarHBondContact ND2-CD2 3.24Å; N122-F216 VanDerWaalsContact ND2-CE2 3.31Å; N122-F216 WeakPolarHBondContact ND2-CE2 3.42Å; N122-F216 WeakPolarHBondContact ND2-CZ 3.18Å
123G98Very high96.8Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-57-43.5177.600000112C119 S127C119-G123 WeakPolarHBondContact O-CA 3.42Å; C119-G123 PolarHBondContact O-N 3.39Å; G123-S127 WeakPolarHBondContact O-CB 3.45Å; G123-S127 PolarHBondContact O-N 3.2Å; G123-S127 VanDerWaalsContact O-N 3.12Å; G123-S127 PolarHBondContact O-OG 3.11Å
124F97.9Very high97.1Very high114 Ų11438.4 Ų38.450%0.520%0.204SC..Hα-helixtrans-64.8-48.7174.8-178.2-100.6000112.5V63 A120 G121 N122 Q126 S127 Y128V63-F124 HydrophobicContact CG1-CB 4.1Å; V63-F124 HydrophobicContact CG1-CD2 4.27Å; A120-F124 VanDerWaalsContact O-CB 3.27Å; A120-F124 WeakPolarHBondContact O-CB 3.32Å; A120-F124 PolarHBondContact O-N 3.1Å; G121-F124 PolarHBondContact O-N 3.15Å; N122-F124 VanDerWaalsContact C-N 3.29Å; N122-F124 PolarHBondContact O-N 3.43Å; F124-Q126 PolarHBondContact O-N 3.33Å; F124-S127 PolarHBondContact O-N 3.23Å; F124-Y128 HydrophobicContact CE1-CG 4.44Å; F124-Y128 HydrophobicContact CZ-CD2 4.12Å; F124-Y128 HydrophobicContact CZ-CG 4.36Å; F124-Y128 WeakPolarHBondContact O-CB 3.26Å; F124-Y128 PolarHBondContact O-N 3.03Å
125L98.4Very high97.2Very high14 Ų1438.8 Ų38.87%0.07321%0.213CC..Hα-helixtrans-56.9-48.5-179.117763.6000111.8V10 L17 G121 N122 Y129 P212V10-L125 HydrophobicContact CB-CD1 4.47Å; V10-L125 HydrophobicContact CG1-CD1 4.4Å; L17-L125 HydrophobicContact CD1-CD2 3.74Å; G121-L125 VanDerWaalsContact O-CB 3.29Å; G121-L125 WeakPolarHBondContact O-CB 3.45Å; G121-L125 PolarHBondContact O-N 2.82Å; N122-L125 PolarHBondContact O-N 3.15Å; L125-Y129 WeakPolarHBondContact O-CB 3.25Å; L125-Y129 PolarHBondContact O-N 3.33Å; L125-P212 HydrophobicContact CD1-CB 4.14Å; L125-P212 HydrophobicContact CD2-CB 3.82Å; L125-P212 HydrophobicContact CG-CB 3.75Å
126Q98.6Very high97.3Very high3 Ų340.4 Ų40.41%0.01422%0.217CC..Hα-helixtrans-64.7-45.4-179.4-62.3-64.780.300111.4F87 N122 F124 L130 P212 A213F87-Q126 HydrophobicContact CE2-CB 4.2Å; F87-Q126 HydrophobicContact CE2-CG 3.85Å; F87-Q126 HydrophobicContact CZ-CB 4.29Å; F87-Q126 HydrophobicContact CZ-CG 4.08Å; N122-Q126 WeakPolarHBondContact O-CB 3.41Å; N122-Q126 WeakPolarHBondContact O-CG 3.44Å; N122-Q126 PolarHBondContact O-N 2.85Å; F124-Q126 PolarHBondContact O-N 3.33Å; Q126-L130 WeakPolarHBondContact O-CB 3.42Å; Q126-L130 WeakPolarHBondContact O-CG 3.19Å; Q126-L130 PolarHBondContact O-N 2.86Å; Q126-L130 VanDerWaalsContact O-N 3.09Å; Q126-P212 VanDerWaalsContact OE1-C 3.23Å; Q126-P212 VanDerWaalsContact OE1-CB 3.29Å; Q126-P212 PolarHBondContact OE1-O 2.92Å; Q126-A213 VanDerWaalsContact NE2-CA 3.35Å
127S97.4Very high97.3Very high0 Ų041.5 Ų41.50%023%0.228CC..Hα-helixtrans-67-45.8179.9-51.80000112.4P64 G123 F124 Y129 L130 I131P64-S127 WeakPolarHBondContact CA-OG 3.44Å; P64-S127 WeakPolarHBondContact CB-OG 3.4Å; P64-S127 VanDerWaalsContact CG-OG 3.22Å; P64-S127 WeakPolarHBondContact CG-OG 3.45Å; G123-S127 WeakPolarHBondContact O-CB 3.45Å; G123-S127 PolarHBondContact O-N 3.2Å; G123-S127 VanDerWaalsContact O-N 3.12Å; G123-S127 PolarHBondContact O-OG 3.11Å; F124-S127 PolarHBondContact O-N 3.23Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; S127-Y129 PolarHBondContact O-N 2.74Å; S127-L130 PolarHBondContact O-N 2.85Å; S127-I131 WeakPolarHBondContact O-CB 3.47Å; S127-I131 VanDerWaalsContact O-CG1 3.31Å; S127-I131 WeakPolarHBondContact O-CG1 3.44Å; S127-I131 PolarHBondContact O-N 2.84Å; S127-I131 VanDerWaalsContact O-N 3.15Å
128Y97.3Very high97.1Very high30 Ų3046.5 Ų46.512%0.11825%0.245CC..Hα-helixtrans-61.2-46.4-179.3178.1-95000110.1Q6 V10 F124 Y132Q6-Y128 PolarHBondContact N-OH 3.36Å; V10-Y128 HydrophobicContact CG2-CD1 3.91Å; V10-Y128 HydrophobicContact CG2-CE1 3.94Å; F124-Y128 HydrophobicContact CE1-CG 4.44Å; F124-Y128 HydrophobicContact CZ-CD2 4.12Å; F124-Y128 HydrophobicContact CZ-CG 4.36Å; F124-Y128 WeakPolarHBondContact O-CB 3.26Å; F124-Y128 PolarHBondContact O-N 3.03Å; Y128-Y132 AromaticContact CD2-CD2 3.47Å; Y128-Y132 HydrophobicContact CD2-CD2 3.47Å; Y128-Y132 VanDerWaalsContact CD2-CD2 3.47Å; Y128-Y132 HydrophobicContact CD2-CE2 4.08Å; Y128-Y132 HydrophobicContact CD2-CG 4.3Å; Y128-Y132 AromaticContact CE2-CD2 3.82Å; Y128-Y132 HydrophobicContact CE2-CD2 3.82Å; Y128-Y132 HydrophobicContact CE2-CG 4.23Å; Y128-Y132 HydrophobicContact CG-CD2 4.13Å; Y128-Y132 WeakPolarHBondContact O-CB 3.49Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.2Å; Y128-Y132 PolarHBondContact O-N 2.75Å
129Y98.2Very high97Very high50 Ų5046.5 Ų46.520%0.19626%0.258CS..Hα-helixtrans-61.9-51.5179-173.8-91.7000112V10 L125 S127 I131 C133 A134 P212V10-Y129 HydrophobicContact CB-CD2 4.47Å; V10-Y129 HydrophobicContact CG1-CD2 3.49Å; V10-Y129 VanDerWaalsContact CG1-CD2 3.49Å; V10-Y129 HydrophobicContact CG1-CE2 3.94Å; V10-Y129 HydrophobicContact CG1-CG 4.5Å; V10-Y129 HydrophobicContact CG2-CD2 4.17Å; L125-Y129 WeakPolarHBondContact O-CB 3.25Å; L125-Y129 PolarHBondContact O-N 3.33Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; S127-Y129 PolarHBondContact O-N 2.74Å; Y129-I131 VanDerWaalsContact C-N 3.26Å; Y129-I131 PolarHBondContact O-N 3.37Å; Y129-C133 HydrophobicContact CD2-CB 3.7Å; Y129-C133 HydrophobicContact CE2-CB 3.98Å; Y129-C133 HydrophobicContact CG-CB 4.22Å; Y129-C133 CarbonylContact O-C 3.56Å; Y129-C133 WeakPolarHBondContact O-CA 3.32Å; Y129-C133 WeakPolarHBondContact O-CB 3.39Å; Y129-C133 PolarHBondContact O-N 3.37Å; Y129-A134 HydrophobicContact CD1-CB 4.08Å; Y129-A134 HydrophobicContact CE1-CB 3.86Å; Y129-A134 PolarHBondContact O-N 3.45Å; Y129-P212 HydrophobicContact CD1-CG 3.87Å; Y129-P212 HydrophobicContact CD2-CG 3.84Å; Y129-P212 HydrophobicContact CE1-CG 4.44Å; Y129-P212 HydrophobicContact CE2-CG 4.37Å; Y129-P212 HydrophobicContact CG-CG 3.53Å
130L97.4Very high97Very high8 Ų846.7 Ų46.74%0.04226%0.258CS..Hα-helixtrans-66-27.2-174.3-72.1179.4000114.4L83 L84 Q126 S127 A134 Y136 Y204 T208L83-L130 HydrophobicContact CB-CD1 4.31Å; L84-L130 HydrophobicContact CB-CD1 4.01Å; L84-L130 HydrophobicContact CD1-CD1 4.33Å; Q126-L130 WeakPolarHBondContact O-CB 3.42Å; Q126-L130 WeakPolarHBondContact O-CG 3.19Å; Q126-L130 PolarHBondContact O-N 2.86Å; Q126-L130 VanDerWaalsContact O-N 3.09Å; S127-L130 PolarHBondContact O-N 2.85Å; L130-A134 HydrophobicContact CD2-CB 4.25Å; L130-Y136 WeakPolarHBondContact CD2-OH 3.28Å; L130-Y204 WeakPolarHBondContact CD1-OH 3.44Å; L130-T208 HydrophobicContact CD1-CG2 4.27Å; L130-T208 HydrophobicContact CD2-CG2 3.91Å
131I95.8Very high96.9Very high31 Ų3148.5 Ų48.516%0.15926%0.258CS..Hα-helixtrans-95.3-37.2-177.3-61.5-59.2000112.4I67 Q71 T81 L84 S127 Y129I67-I131 HydrophobicContact CG2-CB 4.31Å; I67-I131 HydrophobicContact CG2-CG1 3.77Å; I67-I131 HydrophobicContact CG2-CG2 4.35Å; Q71-I131 HydrophobicContact CG-CD1 4.21Å; T81-I131 HydrophobicContact CG2-CD1 3.66Å; L84-I131 HydrophobicContact CD2-CD1 3.9Å; L84-I131 HydrophobicContact CD2-CG1 3.68Å; S127-I131 WeakPolarHBondContact O-CB 3.47Å; S127-I131 VanDerWaalsContact O-CG1 3.31Å; S127-I131 WeakPolarHBondContact O-CG1 3.44Å; S127-I131 PolarHBondContact O-N 2.84Å; S127-I131 VanDerWaalsContact O-N 3.15Å; Y129-I131 VanDerWaalsContact C-N 3.26Å; Y129-I131 PolarHBondContact O-N 3.37Å
132Y95.3Very high96.9Very high75 Ų7552.1 Ų52.129%0.29427%0.272SS..Hα-helixtrans-110.5-15.5-170.9-57.3-70.5000114.3V3 C5 Y128V3-Y132 HydrophobicContact CB-CD1 3.91Å; V3-Y132 HydrophobicContact CB-CE1 4.14Å; V3-Y132 HydrophobicContact CG1-CD1 4.33Å; V3-Y132 HydrophobicContact CG2-CE1 4.25Å; C5-Y132 WeakPolarHBondContact CB-O 3.19Å; Y128-Y132 AromaticContact CD2-CD2 3.47Å; Y128-Y132 HydrophobicContact CD2-CD2 3.47Å; Y128-Y132 VanDerWaalsContact CD2-CD2 3.47Å; Y128-Y132 HydrophobicContact CD2-CE2 4.08Å; Y128-Y132 HydrophobicContact CD2-CG 4.3Å; Y128-Y132 AromaticContact CE2-CD2 3.82Å; Y128-Y132 HydrophobicContact CE2-CD2 3.82Å; Y128-Y132 HydrophobicContact CE2-CG 4.23Å; Y128-Y132 HydrophobicContact CG-CD2 4.13Å; Y128-Y132 WeakPolarHBondContact O-CB 3.49Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.2Å; Y128-Y132 PolarHBondContact O-N 2.75Å
133C96.5Very high96.9Very high22 Ų2253.9 Ų53.915%0.14928%0.282CS..THydrogen-bonded Turntrans-126.1-27.5-172.9-63.20000114.6C5 Y129 E135C5-C133 HydrophobicContact CB-CB 3.9Å; C5-C133 WeakPolarHBondContact CB-SG 3.46Å; C5-C133 WeakPolarHBondContact SG-CB 3.38Å; C5-C133 CovalentContact SG-SG 2.03Å; C5-C133 PolarHBondContact SG-SG 3.07Å; Y129-C133 HydrophobicContact CD2-CB 3.7Å; Y129-C133 HydrophobicContact CE2-CB 3.98Å; Y129-C133 HydrophobicContact CG-CB 4.22Å; Y129-C133 CarbonylContact O-C 3.56Å; Y129-C133 WeakPolarHBondContact O-CA 3.32Å; Y129-C133 WeakPolarHBondContact O-CB 3.39Å; Y129-C133 PolarHBondContact O-N 3.37Å; C133-E135 PolarHBondContact O-N 2.93Å
134A96.7Very high96.9Very high22 Ų2259.8 Ų59.818%0.18231%0.312CS..  trans-76.4126.6-175.900000110.6Y129 L130 Y136Y129-A134 HydrophobicContact CD1-CB 4.08Å; Y129-A134 HydrophobicContact CE1-CB 3.86Å; Y129-A134 PolarHBondContact O-N 3.45Å; L130-A134 HydrophobicContact CD2-CB 4.25Å; A134-Y136 HydrophobicContact CB-CD2 4.44Å; A134-Y136 HydrophobicContact CB-CE2 3.62Å
135E95.7Very high96.9Very high184 Ų18457.8 Ų57.886%0.8630%0.301SS*.  trans-117.2128.2173.8-67.2177.2-171.300108C133C133-E135 PolarHBondContact O-N 2.93Å
136Y96.6Very high96.9Very high44 Ų4458.1 Ų58.117%0.17330%0.302CS..  trans-116.2135.2-177.8-66.3-76.6000109.5P79 L83 L130 A134 W140 T208P79-Y136 HydrophobicContact CB-CD1 4.37Å; P79-Y136 HydrophobicContact CB-CD2 3.85Å; P79-Y136 HydrophobicContact CB-CE2 4.29Å; P79-Y136 HydrophobicContact CB-CG 3.9Å; P79-Y136 HydrophobicContact CG-CD2 4.25Å; P79-Y136 HydrophobicContact CG-CG 4.09Å; L83-Y136 HydrophobicContact CD1-CE1 4.37Å; L130-Y136 WeakPolarHBondContact CD2-OH 3.28Å; A134-Y136 HydrophobicContact CB-CD2 4.44Å; A134-Y136 HydrophobicContact CB-CE2 3.62Å; Y136-W140 AromaticContact CD1-CD1 3.64Å; Y136-W140 AromaticContact CD1-CD2 3.76Å; Y136-W140 HydrophobicContact CD1-CD2 3.76Å; Y136-W140 AromaticContact CD1-CE2 3.61Å; Y136-W140 HydrophobicContact CD1-CE3 4.46Å; Y136-W140 AromaticContact CD1-CG 3.8Å; Y136-W140 HydrophobicContact CD1-CG 3.8Å; Y136-W140 HydrophobicContact CD1-CZ2 4.22Å; Y136-W140 AromaticContact CD1-NE1 3.49Å; Y136-W140 HydrophobicContact CE1-CD2 4.5Å; Y136-W140 AromaticContact CE1-CE2 3.89Å; Y136-W140 HydrophobicContact CE1-CZ2 4.25Å; Y136-W140 AromaticContact CE1-NE1 3.62Å; Y136-W140 HydrophobicContact CG-CG 4.31Å; Y136-T208 WeakPolarHBondContact CE1-O 3.37Å; Y136-T208 PolarHBondContact OH-O 3.25Å
137P96.4Very high96.9Very high80 Ų8060.9 Ų60.952%0.51932%0.321SS..  trans-61.1157.2171.6-21.131.9000112.5G139 W140P137-G139 PolarHBondContact O-N 3.47Å; P137-W140 HydrophobicContact CG-CE3 4.35Å; P137-W140 PolarHBondContact O-N 3.1Å
138D93.3Very high97Very high171 Ų17164.4 Ų64.491%0.91434%0.34SS*.THydrogen-bonded Turntrans-57.7139167.6-65.3-35.5000110.2
139G94.9Very high97.1Very high46 Ų4663 Ų6347%0.47433%0.334SS..THydrogen-bonded Turntrans79.212-177.800000115.4P137 Y141 T142 D143P137-G139 PolarHBondContact O-N 3.47Å; G139-Y141 PolarHBondContact O-N 3.31Å; G139-Y141 VanDerWaalsContact O-N 3.1Å; G139-T142 PolarHBondContact O-N 3.43Å; G139-T142 PolarHBondContact O-OG1 2.86Å; G139-D143 PolarHBondContact O-N 2.93Å
140W97.7Very high97.1Very high8 Ų862 Ų623%0.0333%0.333CS..G310 helixtrans-51.4-36.1177.5-168.3-110.6000113.8P79 Y136 P137 T142 D143 R145 F146 A207 W209P79-W140 HydrophobicContact CB-CG 4.41Å; P79-W140 HydrophobicContact CG-CB 4.01Å; P79-W140 HydrophobicContact CG-CG 4.37Å; Y136-W140 AromaticContact CD1-CD1 3.64Å; Y136-W140 AromaticContact CD1-CD2 3.76Å; Y136-W140 HydrophobicContact CD1-CD2 3.76Å; Y136-W140 AromaticContact CD1-CE2 3.61Å; Y136-W140 HydrophobicContact CD1-CE3 4.46Å; Y136-W140 AromaticContact CD1-CG 3.8Å; Y136-W140 HydrophobicContact CD1-CG 3.8Å; Y136-W140 HydrophobicContact CD1-CZ2 4.22Å; Y136-W140 AromaticContact CD1-NE1 3.49Å; Y136-W140 HydrophobicContact CE1-CD2 4.5Å; Y136-W140 AromaticContact CE1-CE2 3.89Å; Y136-W140 HydrophobicContact CE1-CZ2 4.25Å; Y136-W140 AromaticContact CE1-NE1 3.62Å; Y136-W140 HydrophobicContact CG-CG 4.31Å; P137-W140 HydrophobicContact CG-CE3 4.35Å; P137-W140 PolarHBondContact O-N 3.1Å; W140-T142 PolarHBondContact O-N 3.17Å; W140-T142 VanDerWaalsContact O-N 3.14Å; W140-D143 HydrophobicContact CD2-CB 4.43Å; W140-D143 HydrophobicContact CE3-CB 4.09Å; W140-D143 HydrophobicContact CZ3-CB 4.48Å; W140-D143 VanDerWaalsContact O-CB 3.3Å; W140-D143 WeakPolarHBondContact O-CB 3.19Å; W140-D143 PolarHBondContact O-N 3.02Å; W140-R145 HydrophobicContact CH2-CB 4.08Å; W140-R145 VanDerWaalsContact CH2-CZ 3.44Å; W140-R145 HydrophobicContact CZ2-CB 4.16Å; W140-R145 VanDerWaalsContact CZ3-NH2 3.27Å; W140-F146 AromaticContact CD1-CD2 3.47Å; W140-F146 VanDerWaalsContact CD1-CD2 3.47Å; W140-F146 AromaticContact CD1-CG 4Å; W140-F146 HydrophobicContact CG-CB 4.49Å; W140-F146 AromaticContact NE1-CD2 3.54Å; W140-F146 WeakPolarHBondContact O-CB 3.35Å; W140-A207 PolarHBondContact NE1-O 2.92Å; W140-W209 HydrophobicContact CH2-CB 3.75Å; W140-W209 HydrophobicContact CH2-CG 4.13Å; W140-W209 HydrophobicContact CZ2-CB 3.76Å
141Y97Very high97.2Very high71 Ų7167.4 Ų67.428%0.27836%0.356SS..G310 helixtrans-60.3-23.3177.9-71.7-70.5000114.5G77 P79 V82 G139 F146 C147G77-Y141 PolarHBondContact O-OH 3.44Å; P79-Y141 HydrophobicContact CG-CD2 4.47Å; P79-Y141 HydrophobicContact CG-CE2 3.91Å; V82-Y141 VanDerWaalsContact CG2-OH 3.3Å; V82-Y141 WeakPolarHBondContact CG2-OH 3.37Å; G139-Y141 PolarHBondContact O-N 3.31Å; G139-Y141 VanDerWaalsContact O-N 3.1Å; Y141-F146 HydrophobicContact CD1-CD1 4.3Å; Y141-F146 AromaticContact CD1-CE1 3.6Å; Y141-F146 HydrophobicContact CD1-CE1 3.6Å; Y141-F146 HydrophobicContact CD1-CE2 4.13Å; Y141-F146 AromaticContact CD1-CZ 3.49Å; Y141-F146 HydrophobicContact CD1-CZ 3.49Å; Y141-F146 VanDerWaalsContact CD1-CZ 3.49Å; Y141-F146 HydrophobicContact CE1-CE1 4.29Å; Y141-F146 HydrophobicContact CE1-CE2 4.2Å; Y141-F146 AromaticContact CE1-CZ 3.71Å; Y141-F146 HydrophobicContact CE1-CZ 3.71Å; Y141-F146 WeakPolarHBondContact O-CD1 3.49Å; Y141-C147 PolarHBondContact O-SG 3.21Å; Y141-C147 VanDerWaalsContact O-SG 3.34Å
142T97.4Very high97.3Very high119 Ų11967.9 Ų67.973%0.7336%0.359SS*.G310 helixtrans-102-4.2176.954.20000113.1G139 W140G139-T142 PolarHBondContact O-N 3.43Å; G139-T142 PolarHBondContact O-OG1 2.86Å; W140-T142 PolarHBondContact O-N 3.17Å; W140-T142 VanDerWaalsContact O-N 3.14Å
143D98.3Very high97.5Very high40 Ų4064.4 Ų64.421%0.21435%0.345CS..SBendtrans-69.2140.1178.1-169.6-75.1000110.5G139 W140 R145 F146 C147G139-D143 PolarHBondContact O-N 2.93Å; W140-D143 HydrophobicContact CD2-CB 4.43Å; W140-D143 HydrophobicContact CE3-CB 4.09Å; W140-D143 HydrophobicContact CZ3-CB 4.48Å; W140-D143 VanDerWaalsContact O-CB 3.3Å; W140-D143 WeakPolarHBondContact O-CB 3.19Å; W140-D143 PolarHBondContact O-N 3.02Å; D143-R145 PolarHBondContact O-N 3.39Å; D143-R145 VanDerWaalsContact O-N 3.15Å; D143-R145 WeakPolarHBondContact OD1-CB 3.36Å; D143-R145 VanDerWaalsContact OD1-CG 3.31Å; D143-R145 WeakPolarHBondContact OD1-CG 3.49Å; D143-R145 IonicContact OD1-CZ 3.7Å; D143-R145 PolarHBondContact OD1-N 3.38Å; D143-R145 IonicContact OD1-NE 3.48Å; D143-R145 PolarHBondContact OD1-NE 3.49Å; D143-R145 IonicContact OD1-NH2 3.66Å; D143-R145 IonicContact OD2-CZ 3.82Å; D143-R145 IonicContact OD2-NE 3.69Å; D143-R145 PolarHBondContact OD2-NE 3.28Å; D143-R145 IonicContact OD2-NH2 2.71Å; D143-R145 PolarHBondContact OD2-NH2 3.07Å; D143-F146 PolarHBondContact O-N 2.82Å; D143-C147 PolarHBondContact O-N 3.12Å; D143-C147 PolarHBondContact O-SG 3.38Å
144I98.4Very high97.6Very high124 Ų12468.4 Ų68.464%0.63636%0.364SS*.Hα-helixtrans-55.9-34.3179.9-17062000112.3L148I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 PolarHBondContact O-N 2.76Å
145R98.6Very high97.7Very high71 Ų7171 Ų7127%0.26838%0.375SS..Hα-helixtrans-63.7-44.8178-65.1168.7-77.1-172.3-7.4110.8W140 D143 G149 L206 W209W140-R145 HydrophobicContact CH2-CB 4.08Å; W140-R145 VanDerWaalsContact CH2-CZ 3.44Å; W140-R145 HydrophobicContact CZ2-CB 4.16Å; W140-R145 VanDerWaalsContact CZ3-NH2 3.27Å; D143-R145 PolarHBondContact O-N 3.39Å; D143-R145 VanDerWaalsContact O-N 3.15Å; D143-R145 WeakPolarHBondContact OD1-CB 3.36Å; D143-R145 VanDerWaalsContact OD1-CG 3.31Å; D143-R145 WeakPolarHBondContact OD1-CG 3.49Å; D143-R145 IonicContact OD1-CZ 3.7Å; D143-R145 PolarHBondContact OD1-N 3.38Å; D143-R145 IonicContact OD1-NE 3.48Å; D143-R145 PolarHBondContact OD1-NE 3.49Å; D143-R145 IonicContact OD1-NH2 3.66Å; D143-R145 IonicContact OD2-CZ 3.82Å; D143-R145 IonicContact OD2-NE 3.69Å; D143-R145 PolarHBondContact OD2-NE 3.28Å; D143-R145 IonicContact OD2-NH2 2.71Å; D143-R145 PolarHBondContact OD2-NH2 3.07Å; R145-G149 WeakPolarHBondContact O-CA 3.26Å; R145-G149 PolarHBondContact O-N 3.39Å; R145-L206 HydrophobicContact CB-CD1 4.2Å; R145-L206 HydrophobicContact CB-CG 4.42Å; R145-L206 HydrophobicContact CG-CD1 4.14Å; R145-W209 HydrophobicContact CG-CE3 4.19Å; R145-W209 HydrophobicContact CG-CZ3 4.3Å
146F98.5Very high97.9Very high22 Ų2262.3 Ų62.310%0.09633%0.334CS..Hα-helixtrans-67.7-53.5176.6-175.5-91.5000111.2L83 W140 Y141 D143 L148 G149 V150L83-F146 HydrophobicContact CD1-CE2 4.34Å; L83-F146 HydrophobicContact CD2-CD2 4.31Å; L83-F146 HydrophobicContact CD2-CE2 3.85Å; L83-F146 HydrophobicContact CG-CE2 4.1Å; W140-F146 AromaticContact CD1-CD2 3.47Å; W140-F146 VanDerWaalsContact CD1-CD2 3.47Å; W140-F146 AromaticContact CD1-CG 4Å; W140-F146 HydrophobicContact CG-CB 4.49Å; W140-F146 AromaticContact NE1-CD2 3.54Å; W140-F146 WeakPolarHBondContact O-CB 3.35Å; Y141-F146 HydrophobicContact CD1-CD1 4.3Å; Y141-F146 AromaticContact CD1-CE1 3.6Å; Y141-F146 HydrophobicContact CD1-CE1 3.6Å; Y141-F146 HydrophobicContact CD1-CE2 4.13Å; Y141-F146 AromaticContact CD1-CZ 3.49Å; Y141-F146 HydrophobicContact CD1-CZ 3.49Å; Y141-F146 VanDerWaalsContact CD1-CZ 3.49Å; Y141-F146 HydrophobicContact CE1-CE1 4.29Å; Y141-F146 HydrophobicContact CE1-CE2 4.2Å; Y141-F146 AromaticContact CE1-CZ 3.71Å; Y141-F146 HydrophobicContact CE1-CZ 3.71Å; Y141-F146 WeakPolarHBondContact O-CD1 3.49Å; D143-F146 PolarHBondContact O-N 2.82Å; F146-L148 PolarHBondContact O-N 2.71Å; F146-G149 PolarHBondContact O-N 2.85Å; F146-V150 HydrophobicContact CD1-CG2 4.21Å; F146-V150 HydrophobicContact CD2-CG2 4.29Å; F146-V150 HydrophobicContact CE1-CG2 3.89Å; F146-V150 HydrophobicContact CE2-CG2 4.01Å; F146-V150 HydrophobicContact CG-CG2 4.4Å; F146-V150 HydrophobicContact CZ-CG2 3.79Å; F146-V150 WeakPolarHBondContact O-CB 3.49Å; F146-V150 VanDerWaalsContact O-CG2 3.32Å; F146-V150 WeakPolarHBondContact O-CG2 3.33Å; F146-V150 PolarHBondContact O-N 3.2Å
147C98.5Very high98Very high60 Ų6061.4 Ų61.441%0.40533%0.332SS..Hα-helixtrans-61.6-48.8-175.9-61.20000112.1Y141 D143 F151Y141-C147 PolarHBondContact O-SG 3.21Å; Y141-C147 VanDerWaalsContact O-SG 3.34Å; D143-C147 PolarHBondContact O-N 3.12Å; D143-C147 PolarHBondContact O-SG 3.38Å; C147-F151 VanDerWaalsContact O-CB 3.3Å; C147-F151 WeakPolarHBondContact O-CB 3.15Å; C147-F151 PolarHBondContact O-N 3.33Å
148L98.8Very high98.1Very high75 Ų7559.5 Ų59.539%0.39333%0.327SS..Hα-helixtrans-67.6-41.2177.7-178.159.4000111.2I144 F146 F151 L152 L206I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 PolarHBondContact O-N 2.76Å; F146-L148 PolarHBondContact O-N 2.71Å; L148-F151 HydrophobicContact CD1-CD1 4.18Å; L148-F151 PolarHBondContact O-N 3.47Å; L148-L152 HydrophobicContact CD1-CD1 4.32Å; L148-L152 HydrophobicContact CD1-CG 4.21Å; L148-L152 HydrophobicContact CG-CD1 4.11Å; L148-L152 HydrophobicContact CG-CG 4.41Å; L148-L152 WeakPolarHBondContact O-CB 3.46Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 3.49Å; L148-L152 PolarHBondContact O-N 2.89Å; L148-L206 HydrophobicContact CB-CD2 4.15Å; L148-L206 HydrophobicContact CD2-CD2 3.97Å; L148-L206 HydrophobicContact CG-CD2 3.94Å
149G98.8Very high98.3Very high0 Ų052.3 Ų52.30%029%0.289CS..Hα-helixtrans-63.2-46179.600000112.7R145 F146 L152 F153 G203R145-G149 WeakPolarHBondContact O-CA 3.26Å; R145-G149 PolarHBondContact O-N 3.39Å; F146-G149 PolarHBondContact O-N 2.85Å; G149-L152 PolarHBondContact O-N 2.82Å; G149-F153 WeakPolarHBondContact O-CB 3.47Å; G149-F153 PolarHBondContact O-N 3.17Å; G149-G203 CarbonylContact C-O 3.41Å; G149-G203 WeakPolarHBondContact CA-O 3.37Å; G149-G203 CarbonylContact O-C 3.26Å; G149-G203 VanDerWaalsContact O-C 3.26Å; G149-G203 VanDerWaalsContact O-CA 3.26Å; G149-G203 WeakPolarHBondContact O-CA 3.46Å
150V98.8Very high98.5Very high28 Ų2850.2 Ų50.217%0.1727%0.267CS..Hα-helixtrans-65.5-40175.3172.80000111.2L83 L86 F146 F153 I154 A207L83-V150 HydrophobicContact CD2-CG2 4.42Å; L86-V150 HydrophobicContact CD1-CG1 4.47Å; L86-V150 HydrophobicContact CD1-CG2 4.18Å; F146-V150 HydrophobicContact CD1-CG2 4.21Å; F146-V150 HydrophobicContact CD2-CG2 4.29Å; F146-V150 HydrophobicContact CE1-CG2 3.89Å; F146-V150 HydrophobicContact CE2-CG2 4.01Å; F146-V150 HydrophobicContact CG-CG2 4.4Å; F146-V150 HydrophobicContact CZ-CG2 3.79Å; F146-V150 WeakPolarHBondContact O-CB 3.49Å; F146-V150 VanDerWaalsContact O-CG2 3.32Å; F146-V150 WeakPolarHBondContact O-CG2 3.33Å; F146-V150 PolarHBondContact O-N 3.2Å; V150-F153 WeakPolarHBondContact O-CB 3.37Å; V150-F153 PolarHBondContact O-N 2.89Å; V150-I154 HydrophobicContact CG1-CD1 3.91Å; V150-I154 HydrophobicContact CG1-CG1 4.48Å; V150-I154 WeakPolarHBondContact O-CG1 3.23Å; V150-I154 PolarHBondContact O-N 3.22Å; V150-A207 HydrophobicContact CG2-CB 4.09Å
151F98.8Very high98.6Very high122 Ų12252.2 Ų52.254%0.53528%0.278SS..Hα-helixtrans-58.2-49.5173.5167.8-100.9000111.7C147 L148 F153 I154 L155C147-F151 VanDerWaalsContact O-CB 3.3Å; C147-F151 WeakPolarHBondContact O-CB 3.15Å; C147-F151 PolarHBondContact O-N 3.33Å; L148-F151 HydrophobicContact CD1-CD1 4.18Å; L148-F151 PolarHBondContact O-N 3.47Å; F151-F153 VanDerWaalsContact C-N 3.31Å; F151-F153 PolarHBondContact O-N 2.94Å; F151-I154 PolarHBondContact O-N 2.99Å; F151-L155 HydrophobicContact CE1-CD2 4.09Å; F151-L155 HydrophobicContact CZ-CD2 4.15Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.47Å; F151-L155 PolarHBondContact O-N 2.85Å
152L98.9Very high98.7Very high41 Ų4153.3 Ų53.322%0.21529%0.285CS..Hα-helixtrans-63.1-38.2177.5-70.8175.3000111.8L148 G149 L155 G156 I199 L206L148-L152 HydrophobicContact CD1-CD1 4.32Å; L148-L152 HydrophobicContact CD1-CG 4.21Å; L148-L152 HydrophobicContact CG-CD1 4.11Å; L148-L152 HydrophobicContact CG-CG 4.41Å; L148-L152 WeakPolarHBondContact O-CB 3.46Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 3.49Å; L148-L152 PolarHBondContact O-N 2.89Å; G149-L152 PolarHBondContact O-N 2.82Å; L152-L155 PolarHBondContact O-N 3.26Å; L152-G156 PolarHBondContact O-N 3.25Å; L152-I199 HydrophobicContact CB-CG2 4.38Å; L152-I199 HydrophobicContact CD2-CG2 4.2Å; L152-L206 HydrophobicContact CD1-CD2 4.37Å
153F98.9Very high98.7Very high3 Ų347.7 Ų47.71%0.01325%0.251CS..Hα-helixtrans-57-54.6174.5-176.7-92.8000111.3L86 H90 G149 V150 F151 L155 G156 M157 E200 W201 Y204L86-F153 HydrophobicContact CB-CD1 4.36Å; L86-F153 HydrophobicContact CB-CE1 3.82Å; L86-F153 HydrophobicContact CB-CZ 3.99Å; L86-F153 HydrophobicContact CD1-CD1 4.28Å; L86-F153 HydrophobicContact CD2-CE1 4.44Å; L86-F153 HydrophobicContact CG-CE1 4.5Å; L86-F153 WeakPolarHBondContact O-CZ 3.45Å; H90-F153 HydrophobicContact CB-CZ 4.16Å; G149-F153 WeakPolarHBondContact O-CB 3.47Å; G149-F153 PolarHBondContact O-N 3.17Å; V150-F153 WeakPolarHBondContact O-CB 3.37Å; V150-F153 PolarHBondContact O-N 2.89Å; F151-F153 VanDerWaalsContact C-N 3.31Å; F151-F153 PolarHBondContact O-N 2.94Å; F153-L155 PolarHBondContact O-N 3.45Å; F153-G156 PolarHBondContact O-N 2.93Å; F153-M157 HydrophobicContact CE1-SD 4.24Å; F153-M157 WeakPolarHBondContact O-CB 3.31Å; F153-M157 PolarHBondContact O-N 2.86Å; F153-E200 HydrophobicContact CD2-CG 3.5Å; F153-E200 WeakPolarHBondContact CD2-O 3.45Å; F153-E200 HydrophobicContact CE2-CG 3.53Å; F153-E200 HydrophobicContact CG-CG 4.14Å; F153-E200 HydrophobicContact CZ-CG 4.17Å; F153-E200 WeakPolarHBondContact CZ-OE1 3.28Å; F153-W201 HydrophobicContact CE2-CZ3 4.2Å; F153-Y204 AromaticContact CD2-CD2 3.93Å; F153-Y204 HydrophobicContact CD2-CD2 3.93Å; F153-Y204 HydrophobicContact CD2-CG 4.34Å; F153-Y204 AromaticContact CE2-CD2 3.86Å; F153-Y204 HydrophobicContact CE2-CD2 3.86Å; F153-Y204 HydrophobicContact CE2-CG 4.37Å
154I98.9Very high98.7Very high105 Ų10546.1 Ų46.154%0.53824%0.242SC..Hα-helixtrans-64.6-42.8-178.9-64.6169.8000111V150 F151 M157 G158V150-I154 HydrophobicContact CG1-CD1 3.91Å; V150-I154 HydrophobicContact CG1-CG1 4.48Å; V150-I154 WeakPolarHBondContact O-CG1 3.23Å; V150-I154 PolarHBondContact O-N 3.22Å; F151-I154 PolarHBondContact O-N 2.99Å; I154-M157 PolarHBondContact O-N 3.46Å; I154-G158 PolarHBondContact O-N 3.31Å
155L98.8Very high98.7Very high78 Ų7846.1 Ų46.141%0.40824%0.235SC..Hα-helixtrans-59.2-50.3176.8176.464.5000111.1F151 L152 F153 G158 V159F151-L155 HydrophobicContact CE1-CD2 4.09Å; F151-L155 HydrophobicContact CZ-CD2 4.15Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.47Å; F151-L155 PolarHBondContact O-N 2.85Å; L152-L155 PolarHBondContact O-N 3.26Å; F153-L155 PolarHBondContact O-N 3.45Å; L155-G158 PolarHBondContact O-N 2.87Å; L155-V159 WeakPolarHBondContact O-CG2 3.41Å; L155-V159 PolarHBondContact O-N 3.02Å
156G98.8Very high98.7Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-61.5-46.2179.200000112.4L152 F153 G158 V159 N160 G196L152-G156 PolarHBondContact O-N 3.25Å; F153-G156 PolarHBondContact O-N 2.93Å; G156-G158 VanDerWaalsContact C-N 3.34Å; G156-G158 PolarHBondContact O-N 3.1Å; G156-V159 PolarHBondContact O-N 3.42Å; G156-N160 WeakPolarHBondContact O-CB 3.27Å; G156-N160 PolarHBondContact O-N 3.39Å; G156-G196 CarbonylContact C-O 3.55Å; G156-G196 VanDerWaalsContact C-O 3.25Å; G156-G196 WeakPolarHBondContact CA-O 3.29Å; G156-G196 CarbonylContact O-C 3.36Å; G156-G196 VanDerWaalsContact O-C 3.26Å; G156-G196 VanDerWaalsContact O-CA 3.27Å; G156-G196 WeakPolarHBondContact O-CA 3.24Å
157M98.8Very high98.6Very high25 Ų2545.1 Ų45.112%0.12324%0.236CC..Hα-helixtrans-59.7-44.5176.1-168.7178.8-177.800111.1V89 H93 F153 I154 V159 N160 I161 E200V89-M157 HydrophobicContact CG1-CE 4.06Å; V89-M157 HydrophobicContact CG1-SD 4.47Å; H93-M157 HydrophobicContact CB-CE 4Å; F153-M157 HydrophobicContact CE1-SD 4.24Å; F153-M157 WeakPolarHBondContact O-CB 3.31Å; F153-M157 PolarHBondContact O-N 2.86Å; I154-M157 PolarHBondContact O-N 3.46Å; M157-V159 PolarHBondContact O-N 3.46Å; M157-N160 PolarHBondContact O-N 3.32Å; M157-I161 HydrophobicContact CE-CD1 3.7Å; M157-I161 HydrophobicContact CG-CD1 3.8Å; M157-I161 HydrophobicContact CG-CG1 4.34Å; M157-I161 WeakPolarHBondContact O-CB 3.49Å; M157-I161 VanDerWaalsContact O-CG1 3.26Å; M157-I161 WeakPolarHBondContact O-CG1 3.4Å; M157-I161 PolarHBondContact O-N 2.86Å; M157-I161 HydrophobicContact SD-CD1 4.48Å; M157-E200 HydrophobicContact CB-CG 4.27Å; M157-E200 WeakPolarHBondContact CB-OE1 3.36Å; M157-E200 WeakPolarHBondContact CG-OE1 3.49Å
158G98.8Very high98.5Very high41 Ų4144 Ų4442%0.42322%0.223SC..Hα-helixtrans-58.5-46.7175.700000112.6I154 L155 G156 H162I154-G158 PolarHBondContact O-N 3.31Å; L155-G158 PolarHBondContact O-N 2.87Å; G156-G158 VanDerWaalsContact C-N 3.34Å; G156-G158 PolarHBondContact O-N 3.1Å; G158-H162 WeakPolarHBondContact O-CB 3.49Å; G158-H162 PolarHBondContact O-N 3.4Å
159V98.8Very high98.3Very high20 Ų2044.7 Ų44.712%0.12122%0.224CC..Hα-helixtrans-62.9-43175.8171.10000111.6L155 G156 M157 S163 L185 A192L155-V159 WeakPolarHBondContact O-CG2 3.41Å; L155-V159 PolarHBondContact O-N 3.02Å; G156-V159 PolarHBondContact O-N 3.42Å; M157-V159 PolarHBondContact O-N 3.46Å; V159-S163 WeakPolarHBondContact O-CB 3.3Å; V159-S163 PolarHBondContact O-N 2.98Å; V159-S163 PolarHBondContact O-OG 3.29Å; V159-L185 HydrophobicContact CG1-CD2 3.85Å; V159-L185 HydrophobicContact CG2-CD2 4.27Å; V159-A192 WeakPolarHBondContact CG1-O 3.24Å
160N98.8Very high98.2Very high1 Ų146.4 Ų46.41%0.00523%0.233CC..Hα-helixtrans-60.7-54.5179-179.9-99000111.2R94 G156 M157 H162 S163 D164 N193 E197R94-N160 PolarHBondContact NH2-ND2 2.63Å; R94-N160 PolarHBondContact NH2-OD1 3.04Å; G156-N160 WeakPolarHBondContact O-CB 3.27Å; G156-N160 PolarHBondContact O-N 3.39Å; M157-N160 PolarHBondContact O-N 3.32Å; N160-H162 PolarHBondContact O-N 2.91Å; N160-S163 PolarHBondContact O-N 3.39Å; N160-D164 WeakPolarHBondContact O-CB 3.32Å; N160-D164 PolarHBondContact O-N 3.35Å; N160-N193 PolarHBondContact ND2-O 3.46Å; N160-E197 PolarHBondContact ND2-OE2 3.22Å; N160-E197 VanDerWaalsContact ND2-OE2 3.12Å
161I98.8Very high97.9Very high51 Ų5147.2 Ų47.226%0.26223%0.233SC..Hα-helixtrans-63.3-45.6-177.1-64.4179.2000111.1H93 M157 S163 D164 Y165H93-I161 VanDerWaalsContact CE1-CG1 3.45Å; H93-I161 WeakPolarHBondContact CE1-CG1 3.42Å; M157-I161 HydrophobicContact CE-CD1 3.7Å; M157-I161 HydrophobicContact CG-CD1 3.8Å; M157-I161 HydrophobicContact CG-CG1 4.34Å; M157-I161 WeakPolarHBondContact O-CB 3.49Å; M157-I161 VanDerWaalsContact O-CG1 3.26Å; M157-I161 WeakPolarHBondContact O-CG1 3.4Å; M157-I161 PolarHBondContact O-N 2.86Å; M157-I161 HydrophobicContact SD-CD1 4.48Å; I161-S163 VanDerWaalsContact C-N 3.32Å; I161-S163 PolarHBondContact O-N 3.43Å; I161-D164 PolarHBondContact O-N 2.85Å; I161-Y165 WeakPolarHBondContact O-CB 3.41Å; I161-Y165 PolarHBondContact O-N 3.28Å
162H98.7Very high97.6Very high94 Ų9448.8 Ų48.844%0.43524%0.24SC..Hα-helixtrans-59.6-44.8177.7178.272.7000111.5G158 N160 Y165 I166G158-H162 WeakPolarHBondContact O-CB 3.49Å; G158-H162 PolarHBondContact O-N 3.4Å; N160-H162 PolarHBondContact O-N 2.91Å; H162-Y165 WeakPolarHBondContact O-CB 3.4Å; H162-Y165 PolarHBondContact O-N 2.75Å; H162-I166 WeakPolarHBondContact NE2-CD1 3.37Å; H162-I166 PolarHBondContact O-N 3.37Å
163S98.6Very high97Very high0 Ų051.8 Ų51.80%026%0.261CS..Hα-helixtrans-69.1-40.6-180-60.40000112.2V159 N160 I161 Y165 I166 L167 F186 A192 N193V159-S163 WeakPolarHBondContact O-CB 3.3Å; V159-S163 PolarHBondContact O-N 2.98Å; V159-S163 PolarHBondContact O-OG 3.29Å; N160-S163 PolarHBondContact O-N 3.39Å; I161-S163 VanDerWaalsContact C-N 3.32Å; I161-S163 PolarHBondContact O-N 3.43Å; S163-Y165 VanDerWaalsContact C-N 3.29Å; S163-Y165 PolarHBondContact O-N 2.94Å; S163-I166 PolarHBondContact O-N 2.83Å; S163-L167 WeakPolarHBondContact O-CG 3.35Å; S163-L167 PolarHBondContact O-N 2.89Å; S163-F186 WeakPolarHBondContact O-CE2 3.46Å; S163-A192 WeakPolarHBondContact OG-CB 3.46Å; S163-N193 VanDerWaalsContact CB-CA 3.49Å; S163-N193 VanDerWaalsContact CB-N 3.34Å
164D98.3Very high96.4Very high8 Ų855.1 Ų55.14%0.04330%0.297CS..Hα-helixtrans-63.3-36.3174.1-84.6-13.9000111.8R94 Y98 N160 I161 L167 R168 N193R94-D164 IonicContact CZ-OD2 3.49Å; R94-D164 IonicContact NH1-OD2 3.88Å; R94-D164 PolarHBondContact NH1-OD2 3.45Å; R94-D164 IonicContact NH2-OD2 2.79Å; Y98-D164 HydrophobicContact CD2-CB 4.04Å; Y98-D164 WeakPolarHBondContact CD2-OD2 3.39Å; Y98-D164 HydrophobicContact CE2-CB 4.05Å; Y98-D164 WeakPolarHBondContact CE2-OD2 3.5Å; N160-D164 WeakPolarHBondContact O-CB 3.32Å; N160-D164 PolarHBondContact O-N 3.35Å; I161-D164 PolarHBondContact O-N 2.85Å; D164-L167 PolarHBondContact O-N 2.75Å; D164-R168 WeakPolarHBondContact O-CB 3.38Å; D164-R168 PolarHBondContact O-N 3.13Å; D164-N193 WeakPolarHBondContact OD1-CB 3.31Å; D164-N193 PolarHBondContact OD1-ND2 3.06Å
165Y98Very high95.9Very high124 Ų12452.2 Ų52.249%0.48628%0.281SS..Hα-helixtrans-62.5-48.8172.9176.2-92.2000111.5I161 H162 S163 L167 R168 Q169I161-Y165 WeakPolarHBondContact O-CB 3.41Å; I161-Y165 PolarHBondContact O-N 3.28Å; H162-Y165 WeakPolarHBondContact O-CB 3.4Å; H162-Y165 PolarHBondContact O-N 2.75Å; S163-Y165 VanDerWaalsContact C-N 3.29Å; S163-Y165 PolarHBondContact O-N 2.94Å; Y165-L167 VanDerWaalsContact C-N 3.32Å; Y165-L167 PolarHBondContact O-N 3.45Å; Y165-R168 WeakPolarHBondContact O-CB 3.33Å; Y165-R168 PolarHBondContact O-N 2.82Å; Y165-R168 VanDerWaalsContact O-N 3.13Å; Y165-Q169 HydrophobicContact CD1-CG 4.28Å; Y165-Q169 HydrophobicContact CE1-CG 3.82Å; Y165-Q169 HydrophobicContact CE2-CG 4.35Å; Y165-Q169 VanDerWaalsContact CE2-NE2 3.3Å; Y165-Q169 WeakPolarHBondContact O-CG 3.11Å; Y165-Q169 PolarHBondContact O-N 2.98Å; Y165-Q169 PolarHBondContact OH-NE2 3.33Å
166I98.1Very high95.2Very high25 Ų2552.6 Ų52.613%0.12828%0.282CS..Hα-helixtrans-55-49.5175.1-70.8172.2000110.2H162 S163 R168 Q169 L170 Q182 F186H162-I166 WeakPolarHBondContact NE2-CD1 3.37Å; H162-I166 PolarHBondContact O-N 3.37Å; S163-I166 PolarHBondContact O-N 2.83Å; I166-R168 VanDerWaalsContact C-N 3.27Å; I166-R168 PolarHBondContact O-N 3.42Å; I166-Q169 PolarHBondContact O-N 3.27Å; I166-Q169 VanDerWaalsContact O-N 3.12Å; I166-L170 PolarHBondContact O-N 3.47Å; I166-Q182 WeakPolarHBondContact CG2-O 3.38Å; I166-F186 HydrophobicContact CB-CD2 4.36Å; I166-F186 HydrophobicContact CB-CE2 4.05Å; I166-F186 HydrophobicContact CD1-CD2 4.18Å; I166-F186 HydrophobicContact CD1-CE2 4.47Å; I166-F186 HydrophobicContact CG2-CD2 3.92Å; I166-F186 HydrophobicContact CG2-CE2 3.93Å
167L97.1Very high94.8Very high47 Ų4755 Ų5525%0.24630%0.297CS..Hα-helixtrans-60.3-36.6179.7-70.6175.6000112.7S163 D164 Y165 L170 P181 F186S163-L167 WeakPolarHBondContact O-CG 3.35Å; S163-L167 PolarHBondContact O-N 2.89Å; D164-L167 PolarHBondContact O-N 2.75Å; Y165-L167 VanDerWaalsContact C-N 3.32Å; Y165-L167 PolarHBondContact O-N 3.45Å; L167-L170 HydrophobicContact CD2-CD1 4.02Å; L167-L170 WeakPolarHBondContact O-CB 3.41Å; L167-L170 PolarHBondContact O-N 2.7Å; L167-P181 HydrophobicContact CD2-CB 3.93Å; L167-P181 HydrophobicContact CD2-CG 4.38Å; L167-F186 HydrophobicContact CD1-CZ 3.86Å; L167-F186 HydrophobicContact CD2-CE1 4.25Å; L167-F186 HydrophobicContact CD2-CE2 4.36Å; L167-F186 HydrophobicContact CD2-CZ 3.77Å; L167-F186 HydrophobicContact CG-CE1 4.49Å; L167-F186 HydrophobicContact CG-CE2 4.11Å; L167-F186 HydrophobicContact CG-CZ 3.6Å
168R95.6Very high94.5Very high35 Ų3556.1 Ų56.113%0.13230%0.3CS..Hα-helixtrans-65.5-40176.1-172.3-172.1-61.5156.81.4111.7L101 R103 D164 Y165 I166 L170 R171L101-R168 VanDerWaalsContact CD1-NH1 3.26Å; L101-R168 VanDerWaalsContact O-CD 3.31Å; L101-R168 WeakPolarHBondContact O-CD 3.32Å; L101-R168 PolarHBondContact O-NE 2.76Å; R103-R168 WeakPolarHBondContact CD-O 3.36Å; R103-R168 HydrophobicContact CG-CG 4Å; R103-R168 PolarHBondContact NH1-O 3.44Å; D164-R168 WeakPolarHBondContact O-CB 3.38Å; D164-R168 PolarHBondContact O-N 3.13Å; Y165-R168 WeakPolarHBondContact O-CB 3.33Å; Y165-R168 PolarHBondContact O-N 2.82Å; Y165-R168 VanDerWaalsContact O-N 3.13Å; I166-R168 VanDerWaalsContact C-N 3.27Å; I166-R168 PolarHBondContact O-N 3.42Å; R168-L170 PolarHBondContact O-N 2.73Å; R168-R171 PolarHBondContact O-N 2.85Å
169Q96.2Very high94.3Very high91 Ų9159.8 Ų59.843%0.42530%0.301SS..Hα-helixtrans-70.2-15.1-179.6-62.8-56.3-17.300113.6Y165 I166 R171Y165-Q169 HydrophobicContact CD1-CG 4.28Å; Y165-Q169 HydrophobicContact CE1-CG 3.82Å; Y165-Q169 HydrophobicContact CE2-CG 4.35Å; Y165-Q169 VanDerWaalsContact CE2-NE2 3.3Å; Y165-Q169 WeakPolarHBondContact O-CG 3.11Å; Y165-Q169 PolarHBondContact O-N 2.98Å; Y165-Q169 PolarHBondContact OH-NE2 3.33Å; I166-Q169 PolarHBondContact O-N 3.27Å; I166-Q169 VanDerWaalsContact O-N 3.12Å; Q169-R171 PolarHBondContact O-N 2.9Å; Q169-R171 VanDerWaalsContact O-N 3.16Å
170L95.2Very high94.2Very high35 Ų3560.3 Ų60.318%0.18330%0.303CS..THydrogen-bonded Turntrans-67.3-10.8174.9-62178.4000114.1I166 L167 R168 R179 P181I166-L170 PolarHBondContact O-N 3.47Å; L167-L170 HydrophobicContact CD2-CD1 4.02Å; L167-L170 WeakPolarHBondContact O-CB 3.41Å; L167-L170 PolarHBondContact O-N 2.7Å; R168-L170 PolarHBondContact O-N 2.73Å; L170-R179 HydrophobicContact CB-CB 4.46Å; L170-R179 HydrophobicContact CD2-CB 4.33Å; L170-R179 WeakPolarHBondContact O-CD 3.47Å; L170-R179 PolarHBondContact O-NE 3.22Å; L170-P181 HydrophobicContact CD1-CB 4.02Å
171R93.4Very high94.1Very high45 Ų4560.2 Ų60.217%0.1730%0.303CS..SBendtrans-135.2142.9-175-66.4178.1-179.1152.55.7112.1R103 R168 Q169 E175 T177R103-R171 HydrophobicContact CB-CB 4.37Å; R103-R171 WeakPolarHBondContact CD-O 3.25Å; R103-R171 PolarHBondContact NH1-O 2.9Å; R103-R171 WeakPolarHBondContact O-CD 3.48Å; R103-R171 PolarHBondContact O-NH1 2.88Å; R168-R171 PolarHBondContact O-N 2.85Å; Q169-R171 PolarHBondContact O-N 2.9Å; Q169-R171 VanDerWaalsContact O-N 3.16Å; R171-E175 HydrophobicContact CB-CB 4.4Å; R171-T177 PolarHBondContact NE-O 3.33Å; R171-T177 PolarHBondContact NH2-O 2.98Å
172K91.7Very high94Very high156 Ų15664.5 Ų64.568%0.67832%0.322SS*.  trans-75.4153.6159.9-65-178.7179.8179.90110.4G174 E175K172-G174 PolarHBondContact O-N 3.01Å; K172-E175 HydrophobicContact CB-CB 4.37Å; K172-E175 PolarHBondContact N-OE2 2.82Å; K172-E175 VanDerWaalsContact O-CB 3.24Å; K172-E175 WeakPolarHBondContact O-CB 3.44Å; K172-E175 PolarHBondContact O-N 3.32Å
173P87.9Confident93.8Very high103 Ų10361.7 Ų61.767%0.66932%0.318SS*.THydrogen-bonded Turntrans-52.8128.8172-25.935.2000111.5E175P173-E175 VanDerWaalsContact C-N 3.33Å
174G84.4Confident93.7Very high73 Ų7363.5 Ų63.575%0.75334%0.337SS*.THydrogen-bonded Turntrans87.7-12.6-176.900000115.4K172K172-G174 PolarHBondContact O-N 3.01Å
175E89Confident93.6Very high44 Ų4465.9 Ų65.921%0.20635%0.349CS..  trans-76.3127.1-179.5-168.4-175.4171.100111.8R171 K172 P173 T177 R179R171-E175 HydrophobicContact CB-CB 4.4Å; K172-E175 HydrophobicContact CB-CB 4.37Å; K172-E175 PolarHBondContact N-OE2 2.82Å; K172-E175 VanDerWaalsContact O-CB 3.24Å; K172-E175 WeakPolarHBondContact O-CB 3.44Å; K172-E175 PolarHBondContact O-N 3.32Å; P173-E175 VanDerWaalsContact C-N 3.33Å; E175-T177 HydrophobicContact CG-CG2 3.76Å; E175-T177 WeakPolarHBondContact CG-OG1 3.21Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.22Å; E175-T177 PolarHBondContact OE1-OG1 3.24Å; E175-R179 IonicContact OE1-CZ 3.7Å; E175-R179 IonicContact OE1-NE 3.73Å; E175-R179 IonicContact OE1-NH2 3.47Å; E175-R179 PolarHBondContact OE1-NH2 2.68Å; E175-R179 IonicContact OE2-NH2 2.69Å; E175-R179 PolarHBondContact OE2-NH2 3.08Å
176I85.3Confident93.7Very high86 Ų8660 Ų6044%0.44133%0.326SS..  trans-108.961.2178.1-48-59.1000110.1R105R105-I176 HydrophobicContact CB-CD1 3.81Å; R105-I176 HydrophobicContact CB-CG2 4.3Å; R105-I176 VanDerWaalsContact NH2-CG2 3.3Å
177T89.1Confident93.7Very high51 Ų5161.9 Ų61.931%0.31334%0.339SS..  trans-117.7158.4177.161.50000111.2R171 E175R171-T177 PolarHBondContact NE-O 3.33Å; R171-T177 PolarHBondContact NH2-O 2.98Å; E175-T177 HydrophobicContact CG-CG2 3.76Å; E175-T177 WeakPolarHBondContact CG-OG1 3.21Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.22Å; E175-T177 PolarHBondContact OE1-OG1 3.24Å
178Y92.1Very high93.7Very high48 Ų4865.4 Ų65.419%0.18835%0.35CS..  trans-114.4135.2169.5-68.8-74.9000108.5G34 K35 R105 F234 F239G34-Y178 VanDerWaalsContact C-OH 3.23Å; G34-Y178 PolarHBondContact O-OH 2.63Å; K35-Y178 VanDerWaalsContact CA-OH 3.23Å; K35-Y178 WeakPolarHBondContact CA-OH 3.16Å; K35-Y178 HydrophobicContact CB-CE1 4.39Å; K35-Y178 HydrophobicContact CD-CD1 4.38Å; K35-Y178 HydrophobicContact CD-CE1 4.08Å; K35-Y178 HydrophobicContact CG-CD1 3.85Å; K35-Y178 HydrophobicContact CG-CE1 3.19Å; K35-Y178 HydrophobicContact CG-CE2 4.12Å; K35-Y178 PolarHBondContact N-OH 2.78Å; K35-Y178 VanDerWaalsContact N-OH 3.15Å; R105-Y178 PolarHBondContact NE-OH 3.4Å; R105-Y178 PolarHBondContact NH1-OH 2.92Å; R105-Y178 VanDerWaalsContact NH2-CE2 3.31Å; R105-Y178 PolarHBondContact NH2-OH 3.25Å; Y178-F234 HydrophobicContact CD1-CE1 4.42Å; Y178-F234 HydrophobicContact CD2-CE1 4.27Å; Y178-F234 AromaticContact CD2-CZ 3.75Å; Y178-F234 HydrophobicContact CD2-CZ 3.75Å; Y178-F234 HydrophobicContact CE2-CZ 4.25Å; Y178-F234 HydrophobicContact CG-CE1 4.02Å; Y178-F234 AromaticContact CG-CZ 3.99Å; Y178-F234 HydrophobicContact CG-CZ 3.99Å; Y178-F239 WeakPolarHBondContact O-CZ 3.37Å
179R95.3Very high93.9Very high118 Ų11863.7 Ų63.745%0.44534%0.344SS..  trans-127.8158.3174.6-57.6-176.9-169.6-1804.1108.7L170 E175 P181L170-R179 HydrophobicContact CB-CB 4.46Å; L170-R179 HydrophobicContact CD2-CB 4.33Å; L170-R179 WeakPolarHBondContact O-CD 3.47Å; L170-R179 PolarHBondContact O-NE 3.22Å; E175-R179 IonicContact OE1-CZ 3.7Å; E175-R179 IonicContact OE1-NE 3.73Å; E175-R179 IonicContact OE1-NH2 3.47Å; E175-R179 PolarHBondContact OE1-NH2 2.68Å; E175-R179 IonicContact OE2-NH2 2.69Å; E175-R179 PolarHBondContact OE2-NH2 3.08Å; R179-P181 WeakPolarHBondContact O-CD 3.26Å
180I96.9Very high94Very high31 Ų3159.5 Ų59.516%0.15932%0.324CS..  trans-70.2119.7174.9-58.1174.2000107.9Q182 F239 Y242I180-Q182 PolarHBondContact O-N 3.06Å; I180-F239 HydrophobicContact CD1-CB 3.87Å; I180-F239 HydrophobicContact CD1-CD1 4.14Å; I180-F239 HydrophobicContact CD1-CG 4.02Å; I180-F239 HydrophobicContact CG1-CB 4.12Å; I180-F239 HydrophobicContact CG1-CD1 3.85Å; I180-F239 HydrophobicContact CG1-CD2 4.09Å; I180-F239 HydrophobicContact CG1-CE1 4.29Å; I180-F239 HydrophobicContact CG1-CG 3.74Å; I180-Y242 HydrophobicContact CD1-CD2 4.36Å; I180-Y242 HydrophobicContact CG1-CD2 4.22Å; I180-Y242 HydrophobicContact CG2-CD2 3.89Å; I180-Y242 HydrophobicContact CG2-CE2 3.97Å
181P96.4Very high94.1Very high0 Ų057.9 Ų57.90%032%0.316CS..  trans-68.1131.7174.927.5-32.2000109.9L167 L170 R179 F186 Y235 R246L167-P181 HydrophobicContact CD2-CB 3.93Å; L167-P181 HydrophobicContact CD2-CG 4.38Å; L170-P181 HydrophobicContact CD1-CB 4.02Å; R179-P181 WeakPolarHBondContact O-CD 3.26Å; P181-F186 HydrophobicContact CB-CB 4.21Å; P181-F186 HydrophobicContact CB-CD1 3.77Å; P181-F186 HydrophobicContact CB-CD2 3.94Å; P181-F186 HydrophobicContact CB-CE1 4.06Å; P181-F186 HydrophobicContact CB-CE2 4.21Å; P181-F186 HydrophobicContact CB-CG 3.71Å; P181-F186 HydrophobicContact CB-CZ 4.28Å; P181-F186 HydrophobicContact CG-CB 4.49Å; P181-F186 HydrophobicContact CG-CD1 3.69Å; P181-F186 HydrophobicContact CG-CE1 4.04Å; P181-F186 HydrophobicContact CG-CG 4.08Å; P181-Y235 HydrophobicContact CG-CE2 4.41Å; P181-R246 VanDerWaalsContact O-CZ 3.28Å; P181-R246 PolarHBondContact O-NH1 3.28Å; P181-R246 PolarHBondContact O-NH2 3.15Å
182Q95.9Very high94.4Very high140 Ų14055.7 Ų55.765%0.65431%0.307SS*.  trans-126.1156.6177.6-61.7-173.53.100110I166 I180I166-Q182 WeakPolarHBondContact CG2-O 3.38Å; I180-Q182 PolarHBondContact O-N 3.06Å
183G94.9Very high94.7Very high35 Ų3548.8 Ų48.836%0.36128%0.278SS..SBendtrans89.2159.1-17800000114.4F186G183-F186 WeakPolarHBondContact O-CB 3.46Å; G183-F186 PolarHBondContact O-N 3.25Å
184G96.7Very high95.2Very high38 Ų3844.5 Ų44.539%0.39225%0.249SC..G310 helixtrans53.3-143-179.100000113.2F186 T187G184-F186 PolarHBondContact O-N 3.49Å; G184-T187 PolarHBondContact O-N 2.8Å; G184-T187 PolarHBondContact O-OG1 3.32Å
185L97.6Very high95.9Very high58 Ų5841.9 Ų41.930%0.30422%0.217SC..G310 helixtrans-69.3-11.1-179.9-86.373.2000113.7V159 T187 Y188 V189 A192 L195V159-L185 HydrophobicContact CG1-CD2 3.85Å; V159-L185 HydrophobicContact CG2-CD2 4.27Å; L185-T187 PolarHBondContact O-N 3.22Å; L185-T187 VanDerWaalsContact O-N 3.15Å; L185-Y188 PolarHBondContact O-N 2.74Å; L185-V189 PolarHBondContact O-N 2.84Å; L185-V189 VanDerWaalsContact O-N 3.11Å; L185-A192 HydrophobicContact CB-CB 3.86Å; L185-L195 HydrophobicContact CD2-CD2 4.05Å
186F98.4Very high96.4Very high1 Ų139.8 Ų39.80%0.00421%0.207CC..G310 helixtrans-63.4-19.8174.6-73.5-68.4000112.8S163 I166 L167 P181 G183 G184 Y188 V189 S190 A192 R246S163-F186 WeakPolarHBondContact O-CE2 3.46Å; I166-F186 HydrophobicContact CB-CD2 4.36Å; I166-F186 HydrophobicContact CB-CE2 4.05Å; I166-F186 HydrophobicContact CD1-CD2 4.18Å; I166-F186 HydrophobicContact CD1-CE2 4.47Å; I166-F186 HydrophobicContact CG2-CD2 3.92Å; I166-F186 HydrophobicContact CG2-CE2 3.93Å; L167-F186 HydrophobicContact CD1-CZ 3.86Å; L167-F186 HydrophobicContact CD2-CE1 4.25Å; L167-F186 HydrophobicContact CD2-CE2 4.36Å; L167-F186 HydrophobicContact CD2-CZ 3.77Å; L167-F186 HydrophobicContact CG-CE1 4.49Å; L167-F186 HydrophobicContact CG-CE2 4.11Å; L167-F186 HydrophobicContact CG-CZ 3.6Å; P181-F186 HydrophobicContact CB-CB 4.21Å; P181-F186 HydrophobicContact CB-CD1 3.77Å; P181-F186 HydrophobicContact CB-CD2 3.94Å; P181-F186 HydrophobicContact CB-CE1 4.06Å; P181-F186 HydrophobicContact CB-CE2 4.21Å; P181-F186 HydrophobicContact CB-CG 3.71Å; P181-F186 HydrophobicContact CB-CZ 4.28Å; P181-F186 HydrophobicContact CG-CB 4.49Å; P181-F186 HydrophobicContact CG-CD1 3.69Å; P181-F186 HydrophobicContact CG-CE1 4.04Å; P181-F186 HydrophobicContact CG-CG 4.08Å; G183-F186 WeakPolarHBondContact O-CB 3.46Å; G183-F186 PolarHBondContact O-N 3.25Å; G184-F186 PolarHBondContact O-N 3.49Å; F186-Y188 PolarHBondContact O-N 2.89Å; F186-V189 VanDerWaalsContact CA-O 3.32Å; F186-V189 WeakPolarHBondContact CA-O 3.43Å; F186-S190 WeakPolarHBondContact CE1-O 3.37Å; F186-A192 HydrophobicContact CD1-CB 3.64Å; F186-A192 HydrophobicContact CD2-CB 4.14Å; F186-A192 HydrophobicContact CE1-CB 3.64Å; F186-A192 HydrophobicContact CE2-CB 4.14Å; F186-A192 HydrophobicContact CG-CB 3.9Å; F186-A192 HydrophobicContact CZ-CB 3.89Å; F186-R246 VanDerWaalsContact O-CD 3.25Å; F186-R246 WeakPolarHBondContact O-CD 3.47Å; F186-R246 PolarHBondContact O-NE 3.3Å; F186-R246 PolarHBondContact O-NH1 3.48Å
187T97.8Very high97Very high65 Ų6536.9 Ų36.940%0.39919%0.192SC..G310 helixtrans-61.1-27.9172.855.10000112.9G184 L185 R246G184-T187 PolarHBondContact O-N 2.8Å; G184-T187 PolarHBondContact O-OG1 3.32Å; L185-T187 PolarHBondContact O-N 3.22Å; L185-T187 VanDerWaalsContact O-N 3.15Å; T187-R246 WeakPolarHBondContact O-CG 3.35Å
188Y98.4Very high97.5Very high120 Ų12035.1 Ų35.147%0.47118%0.181SC..THydrogen-bonded Turntrans-103.5-36.9-179.3-53.8-71.8000113.1L185 F186 R246 K247 F252L185-Y188 PolarHBondContact O-N 2.74Å; F186-Y188 PolarHBondContact O-N 2.89Å; Y188-R246 CarbonylContact O-C 3.5Å; Y188-R246 VanDerWaalsContact O-CA 3.28Å; Y188-R246 WeakPolarHBondContact O-CA 3.44Å; Y188-K247 PolarHBondContact O-N 2.84Å; Y188-F252 AromaticContact CD1-CE1 3.94Å; Y188-F252 HydrophobicContact CD1-CE1 3.94Å; Y188-F252 AromaticContact CD1-CZ 3.59Å; Y188-F252 HydrophobicContact CD1-CZ 3.59Å; Y188-F252 HydrophobicContact CE1-CE1 4.37Å; Y188-F252 AromaticContact CE1-CZ 3.86Å; Y188-F252 HydrophobicContact CE1-CZ 3.86Å; Y188-F252 HydrophobicContact CG-CZ 4.47Å
189V98.7Very high97.8Very high0 Ų034.9 Ų34.90%018%0.182CC..BIsolated β-bridgetrans-135.5147.9-172.1-620000113.3L185 F186 A192 L195 K247 L249 P251L185-V189 PolarHBondContact O-N 2.84Å; L185-V189 VanDerWaalsContact O-N 3.11Å; F186-V189 VanDerWaalsContact CA-O 3.32Å; F186-V189 WeakPolarHBondContact CA-O 3.43Å; V189-A192 HydrophobicContact CG2-CB 4Å; V189-L195 HydrophobicContact CG2-CD2 4.17Å; V189-K247 CarbonylContact C-O 3.54Å; V189-K247 WeakPolarHBondContact CA-O 3.47Å; V189-K247 HydrophobicContact CG1-CB 4.34Å; V189-L249 WeakPolarHBondContact CG1-O 3.31Å; V189-P251 HydrophobicContact CG1-CB 4.3Å; V189-P251 HydrophobicContact CG1-CG 3.85Å
190S98.5Very high98Very high3 Ų329.3 Ų29.32%0.02116%0.161CC..THydrogen-bonded Turntrans-72.4-35.3177.7-59.10000113.5F186 H232 Y242 K247 A248F186-S190 WeakPolarHBondContact CE1-O 3.37Å; S190-H232 PolarHBondContact OG-ND1 3.17Å; S190-Y242 WeakPolarHBondContact CB-OH 3.4Å; S190-Y242 PolarHBondContact OG-OH 2.87Å; S190-K247 PolarHBondContact N-O 3.3Å; S190-K247 PolarHBondContact OG-O 3.02Å; S190-A248 PolarHBondContact N-O 3.37Å
191G98.1Very high98.1Very high0 Ų028 Ų280%015%0.154CC..THydrogen-bonded Turntrans-105.250.8-177.500000112.8N193 F194 L195 A248G191-N193 VanDerWaalsContact C-N 3.28Å; G191-N193 PolarHBondContact O-N 2.99Å; G191-F194 WeakPolarHBondContact O-CA 3.45Å; G191-F194 WeakPolarHBondContact O-CB 3.23Å; G191-F194 PolarHBondContact O-N 2.83Å; G191-L195 PolarHBondContact O-N 2.94Å; G191-A248 PolarHBondContact N-O 3.46Å
192A98.6Very high98.2Very high0 Ų031.9 Ų31.90%017%0.174CC..Hα-helixtrans-57.7-38.2-17600000113.4V159 S163 L185 F186 V189 F194 L195 G196V159-A192 WeakPolarHBondContact CG1-O 3.24Å; S163-A192 WeakPolarHBondContact OG-CB 3.46Å; L185-A192 HydrophobicContact CB-CB 3.86Å; F186-A192 HydrophobicContact CD1-CB 3.64Å; F186-A192 HydrophobicContact CD2-CB 4.14Å; F186-A192 HydrophobicContact CE1-CB 3.64Å; F186-A192 HydrophobicContact CE2-CB 4.14Å; F186-A192 HydrophobicContact CG-CB 3.9Å; F186-A192 HydrophobicContact CZ-CB 3.89Å; V189-A192 HydrophobicContact CG2-CB 4Å; A192-F194 VanDerWaalsContact C-N 3.34Å; A192-F194 PolarHBondContact O-N 3.31Å; A192-L195 PolarHBondContact O-N 3.13Å; A192-G196 PolarHBondContact O-N 3.48Å; A192-G196 VanDerWaalsContact O-N 3.1Å
193N98.6Very high98.3Very high11 Ų1125.2 Ų25.26%0.05914%0.143CC..Hα-helixtrans-64.1-39.9174.761.4-33.6000112.2N160 S163 D164 G191 G196 E197N160-N193 PolarHBondContact ND2-O 3.46Å; S163-N193 VanDerWaalsContact CB-CA 3.49Å; S163-N193 VanDerWaalsContact CB-N 3.34Å; D164-N193 WeakPolarHBondContact OD1-CB 3.31Å; D164-N193 PolarHBondContact OD1-ND2 3.06Å; G191-N193 VanDerWaalsContact C-N 3.28Å; G191-N193 PolarHBondContact O-N 2.99Å; N193-G196 PolarHBondContact O-N 3.2Å; N193-E197 PolarHBondContact O-N 3.05Å; N193-E197 VanDerWaalsContact O-N 3.07Å
194F98.7Very high98.5Very high12 Ų1223.6 Ų23.65%0.05313%0.126CC..Hα-helixtrans-67.5-39176.9-58.2-31000112.6G191 A192 G196 E197 I198 L224 R227 A228 H231 L249G191-F194 WeakPolarHBondContact O-CA 3.45Å; G191-F194 WeakPolarHBondContact O-CB 3.23Å; G191-F194 PolarHBondContact O-N 2.83Å; A192-F194 VanDerWaalsContact C-N 3.34Å; A192-F194 PolarHBondContact O-N 3.31Å; F194-G196 VanDerWaalsContact C-N 3.34Å; F194-E197 PolarHBondContact O-N 3.14Å; F194-I198 WeakPolarHBondContact O-CB 3.31Å; F194-I198 WeakPolarHBondContact O-CG1 3.27Å; F194-I198 PolarHBondContact O-N 3.26Å; F194-L224 HydrophobicContact CB-CB 4.06Å; F194-L224 HydrophobicContact CD1-CB 4.45Å; F194-L224 HydrophobicContact CD1-CD2 3.87Å; F194-L224 HydrophobicContact CE1-CD2 4.21Å; F194-L224 HydrophobicContact CG-CB 4.3Å; F194-R227 HydrophobicContact CE2-CB 4.23Å; F194-R227 HydrophobicContact CE2-CG 3.76Å; F194-R227 VanDerWaalsContact CZ-CD 3.43Å; F194-R227 HydrophobicContact CZ-CG 3.87Å; F194-A228 HydrophobicContact CD2-CB 3.85Å; F194-H231 AromaticContact CE2-CE1 3.6Å; F194-H231 AromaticContact CE2-ND1 3.38Å; F194-H231 WeakPolarHBondContact CE2-ND1 3.37Å; F194-H231 AromaticContact CZ-CE1 3.55Å; F194-H231 AromaticContact CZ-ND1 3.81Å; F194-L249 HydrophobicContact CB-CD1 3.91Å
195L98.8Very high98.6Very high18 Ų1822.2 Ų22.29%0.09411%0.111CC..Hα-helixtrans-59.4-47.2173.417563.2000110.7L185 V189 G191 A192 E197 I198 I199 L249 P251L185-L195 HydrophobicContact CD2-CD2 4.05Å; V189-L195 HydrophobicContact CG2-CD2 4.17Å; G191-L195 PolarHBondContact O-N 2.94Å; A192-L195 PolarHBondContact O-N 3.13Å; L195-E197 PolarHBondContact O-N 3.08Å; L195-I198 PolarHBondContact O-N 3.17Å; L195-I199 HydrophobicContact CD1-CD1 3.91Å; L195-I199 HydrophobicContact CD1-CG1 4.27Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 WeakPolarHBondContact O-CG1 3.47Å; L195-I199 PolarHBondContact O-N 3.21Å; L195-L249 HydrophobicContact CB-CD1 4.12Å; L195-P251 HydrophobicContact CD2-CG 4.11Å
196G98.8Very high98.7Very high0 Ų021.4 Ų21.40%011%0.107CC..Hα-helixtrans-56.7-48.9176.300000112.6G156 A192 N193 F194 I198 I199 E200G156-G196 CarbonylContact C-O 3.55Å; G156-G196 VanDerWaalsContact C-O 3.25Å; G156-G196 WeakPolarHBondContact CA-O 3.29Å; G156-G196 CarbonylContact O-C 3.36Å; G156-G196 VanDerWaalsContact O-C 3.26Å; G156-G196 VanDerWaalsContact O-CA 3.27Å; G156-G196 WeakPolarHBondContact O-CA 3.24Å; A192-G196 PolarHBondContact O-N 3.48Å; A192-G196 VanDerWaalsContact O-N 3.1Å; N193-G196 PolarHBondContact O-N 3.2Å; F194-G196 VanDerWaalsContact C-N 3.34Å; G196-I198 VanDerWaalsContact C-N 3.33Å; G196-I198 PolarHBondContact O-N 3.42Å; G196-I199 PolarHBondContact O-N 2.99Å; G196-E200 WeakPolarHBondContact O-CB 3.49Å; G196-E200 PolarHBondContact O-N 3.5Å
197E98.8Very high98.7Very high26 Ų2621.4 Ų21.412%0.12111%0.107CC..Hα-helixtrans-66-33.9-179-158.5153.8-160.800112.8H90 R94 N160 N193 F194 L195 E200 W201 L224H90-E197 IonicContact CE1-OE1 3.42Å; H90-E197 IonicContact NE2-OE1 3.71Å; R94-E197 IonicContact CZ-OE1 2.81Å; R94-E197 IonicContact NE-OE1 3.18Å; R94-E197 VanDerWaalsContact NH2-CD 3.32Å; R94-E197 IonicContact NH2-OE1 3.44Å; R94-E197 PolarHBondContact NH2-OE1 3.01Å; R94-E197 IonicContact NH2-OE2 3.66Å; R94-E197 PolarHBondContact NH2-OE2 3.07Å; N160-E197 PolarHBondContact ND2-OE2 3.22Å; N160-E197 VanDerWaalsContact ND2-OE2 3.12Å; N193-E197 PolarHBondContact O-N 3.05Å; N193-E197 VanDerWaalsContact O-N 3.07Å; F194-E197 PolarHBondContact O-N 3.14Å; L195-E197 PolarHBondContact O-N 3.08Å; E197-E200 WeakPolarHBondContact O-CB 3.29Å; E197-E200 PolarHBondContact O-N 2.88Å; E197-W201 PolarHBondContact O-N 3.3Å; E197-L224 HydrophobicContact CB-CD1 3.86Å; E197-L224 HydrophobicContact CG-CD1 3.89Å
198I98.9Very high98.7Very high13 Ų1318.4 Ų18.47%0.0679%0.089CC..Hα-helixtrans-66.6-46.8173.1-75169.4000110.9F194 L195 G196 E200 W201 I202 V221 L224 L249F194-I198 WeakPolarHBondContact O-CB 3.31Å; F194-I198 WeakPolarHBondContact O-CG1 3.27Å; F194-I198 PolarHBondContact O-N 3.26Å; L195-I198 PolarHBondContact O-N 3.17Å; G196-I198 VanDerWaalsContact C-N 3.33Å; G196-I198 PolarHBondContact O-N 3.42Å; I198-E200 PolarHBondContact O-N 3.33Å; I198-W201 PolarHBondContact O-N 3.12Å; I198-I202 HydrophobicContact CG2-CD1 3.67Å; I198-I202 HydrophobicContact CG2-CG1 4.42Å; I198-I202 WeakPolarHBondContact O-CB 3.21Å; I198-I202 VanDerWaalsContact O-CG1 3.29Å; I198-I202 WeakPolarHBondContact O-CG1 3.45Å; I198-I202 PolarHBondContact O-N 3.31Å; I198-V221 HydrophobicContact CD1-CG2 4.47Å; I198-V221 HydrophobicContact CG1-CG2 4.27Å; I198-V221 HydrophobicContact CG2-CG2 3.65Å; I198-L224 HydrophobicContact CD1-CB 4.11Å; I198-L224 HydrophobicContact CG1-CB 4.32Å; I198-L224 HydrophobicContact CG1-CD1 4.27Å; I198-L249 HydrophobicContact CD1-CD1 4.09Å; I198-L249 HydrophobicContact CD1-CD2 3.79Å; I198-L249 HydrophobicContact CD1-CG 4.46Å
199I98.9Very high98.7Very high44 Ų4420 Ų2023%0.2269%0.094CC..Hα-helixtrans-59.5-41176.4-67.8167.1000110L152 L195 G196 I202 G203L152-I199 HydrophobicContact CB-CG2 4.38Å; L152-I199 HydrophobicContact CD2-CG2 4.2Å; L195-I199 HydrophobicContact CD1-CD1 3.91Å; L195-I199 HydrophobicContact CD1-CG1 4.27Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 WeakPolarHBondContact O-CG1 3.47Å; L195-I199 PolarHBondContact O-N 3.21Å; G196-I199 PolarHBondContact O-N 2.99Å; I199-I202 PolarHBondContact O-N 3.48Å; I199-G203 PolarHBondContact O-N 3.37Å
200E98.9Very high98.7Very high0 Ų020.3 Ų20.30%010%0.096CC..Hα-helixtrans-57.7-52.5177.9-178.1174.5-17000111.5H90 F153 M157 G196 E197 I198 G203 Y204H90-E200 IonicContact CE1-OE1 3.27Å; H90-E200 IonicContact CE1-OE2 2.76Å; H90-E200 PolarHBondContact CE1-OE2 3.36Å; H90-E200 IonicContact CG-OE1 3.8Å; H90-E200 IonicContact ND1-OE1 2.9Å; H90-E200 PolarHBondContact ND1-OE1 3.16Å; H90-E200 IonicContact ND1-OE2 3.76Å; H90-E200 PolarHBondContact ND1-OE2 3.4Å; F153-E200 HydrophobicContact CD2-CG 3.5Å; F153-E200 WeakPolarHBondContact CD2-O 3.45Å; F153-E200 HydrophobicContact CE2-CG 3.53Å; F153-E200 HydrophobicContact CG-CG 4.14Å; F153-E200 HydrophobicContact CZ-CG 4.17Å; F153-E200 WeakPolarHBondContact CZ-OE1 3.28Å; M157-E200 HydrophobicContact CB-CG 4.27Å; M157-E200 WeakPolarHBondContact CB-OE1 3.36Å; M157-E200 WeakPolarHBondContact CG-OE1 3.49Å; G196-E200 WeakPolarHBondContact O-CB 3.49Å; G196-E200 PolarHBondContact O-N 3.5Å; E197-E200 WeakPolarHBondContact O-CB 3.29Å; E197-E200 PolarHBondContact O-N 2.88Å; I198-E200 PolarHBondContact O-N 3.33Å; E200-G203 PolarHBondContact O-N 2.84Å; E200-Y204 PolarHBondContact O-N 3.19Å
201W98.9Very high98.7Very high3 Ų324.3 Ų24.31%0.01112%0.116CC..Hα-helixtrans-73.5-29-177.8-64.5123.3000114.1F87 H90 Y91 F153 E197 I198 Y204 A205 F216 A217F87-W201 AromaticContact CD2-CH2 3.8Å; F87-W201 HydrophobicContact CD2-CH2 3.8Å; F87-W201 AromaticContact CD2-CZ3 3.63Å; F87-W201 HydrophobicContact CD2-CZ3 3.63Å; F87-W201 AromaticContact CE2-CH2 3.85Å; F87-W201 HydrophobicContact CE2-CH2 3.85Å; F87-W201 AromaticContact CE2-CZ3 3.87Å; F87-W201 HydrophobicContact CE2-CZ3 3.87Å; H90-W201 HydrophobicContact CB-CH2 4.24Å; H90-W201 AromaticContact CD2-CH2 3.87Å; H90-W201 AromaticContact CD2-CZ2 3.54Å; H90-W201 AromaticContact CE1-CZ2 3.75Å; H90-W201 AromaticContact CG-CH2 3.89Å; H90-W201 AromaticContact CG-CZ2 3.79Å; H90-W201 AromaticContact ND1-CZ2 3.93Å; H90-W201 AromaticContact NE2-CZ2 3.56Å; Y91-W201 HydrophobicContact CD2-CH2 4.41Å; Y91-W201 AromaticContact CE2-CH2 3.81Å; Y91-W201 HydrophobicContact CE2-CH2 3.81Å; Y91-W201 AromaticContact CE2-CZ2 3.99Å; Y91-W201 HydrophobicContact CE2-CZ2 3.99Å; F153-W201 HydrophobicContact CE2-CZ3 4.2Å; E197-W201 PolarHBondContact O-N 3.3Å; I198-W201 PolarHBondContact O-N 3.12Å; W201-Y204 HydrophobicContact CE3-CD1 4.04Å; W201-Y204 AromaticContact CE3-CG 4Å; W201-Y204 HydrophobicContact CE3-CG 4Å; W201-Y204 HydrophobicContact CZ3-CD1 4.12Å; W201-Y204 HydrophobicContact CZ3-CG 4.09Å; W201-Y204 PolarHBondContact O-N 3.42Å; W201-A205 WeakPolarHBondContact O-CB 3.48Å; W201-A205 PolarHBondContact O-N 3.17Å; W201-F216 AromaticContact CD2-CD1 3.94Å; W201-F216 HydrophobicContact CD2-CD1 3.94Å; W201-F216 AromaticContact CD2-CE1 3.42Å; W201-F216 HydrophobicContact CD2-CE1 3.42Å; W201-F216 VanDerWaalsContact CD2-CE1 3.42Å; W201-F216 HydrophobicContact CD2-CZ 4.29Å; W201-F216 AromaticContact CE2-CE1 3.4Å; W201-F216 AromaticContact CE2-CZ 3.91Å; W201-F216 AromaticContact CE3-CD1 3.93Å; W201-F216 HydrophobicContact CE3-CD1 3.93Å; W201-F216 AromaticContact CE3-CE1 3.64Å; W201-F216 HydrophobicContact CE3-CE1 3.64Å; W201-F216 HydrophobicContact CG-CD1 4.34Å; W201-F216 HydrophobicContact CG-CE1 4.01Å; W201-F216 AromaticContact CH2-CE1 3.88Å; W201-F216 HydrophobicContact CH2-CE1 3.88Å; W201-F216 AromaticContact CZ2-CE1 3.63Å; W201-F216 HydrophobicContact CZ2-CE1 3.63Å; W201-F216 HydrophobicContact CZ2-CZ 4.13Å; W201-F216 HydrophobicContact CZ3-CD1 4.38Å; W201-F216 AromaticContact CZ3-CE1 3.88Å; W201-F216 HydrophobicContact CZ3-CE1 3.88Å; W201-F216 AromaticContact NE1-CE1 3.92Å; W201-A217 HydrophobicContact CB-CB 4.09Å; W201-A217 WeakPolarHBondContact O-CB 3.29Å
202I98.9Very high98.7Very high82 Ų8224.3 Ų24.342%0.42112%0.116SC..Hα-helixtrans-64.8-45.4169.6-70.3169.9000110I198 I199 Y204 A205 L206 V221I198-I202 HydrophobicContact CG2-CD1 3.67Å; I198-I202 HydrophobicContact CG2-CG1 4.42Å; I198-I202 WeakPolarHBondContact O-CB 3.21Å; I198-I202 VanDerWaalsContact O-CG1 3.29Å; I198-I202 WeakPolarHBondContact O-CG1 3.45Å; I198-I202 PolarHBondContact O-N 3.31Å; I199-I202 PolarHBondContact O-N 3.48Å; I202-Y204 VanDerWaalsContact C-N 3.32Å; I202-Y204 PolarHBondContact O-N 3.36Å; I202-A205 PolarHBondContact O-N 3.09Å; I202-L206 PolarHBondContact O-N 3.36Å; I202-V221 HydrophobicContact CD1-CG2 4.47Å
203G98.9Very high98.7Very high0 Ų024.3 Ų24.30%012%0.117CC..Hα-helixtrans-59-43.9173.900000112.2G149 I199 E200 A205 L206 A207G149-G203 CarbonylContact C-O 3.41Å; G149-G203 WeakPolarHBondContact CA-O 3.37Å; G149-G203 CarbonylContact O-C 3.26Å; G149-G203 VanDerWaalsContact O-C 3.26Å; G149-G203 VanDerWaalsContact O-CA 3.26Å; G149-G203 WeakPolarHBondContact O-CA 3.46Å; I199-G203 PolarHBondContact O-N 3.37Å; E200-G203 PolarHBondContact O-N 2.84Å; G203-A205 PolarHBondContact O-N 3.36Å; G203-L206 PolarHBondContact O-N 3.21Å; G203-A207 WeakPolarHBondContact O-CB 3.18Å; G203-A207 PolarHBondContact O-N 3.02Å
204Y98.9Very high98.8Very high1 Ų128.9 Ų28.90%0.00414%0.14CC..Hα-helixtrans-58.4-49.2175.3-167.6-108.6000112.1L83 F87 L130 F153 E200 W201 I202 L206 A207 T208 A213L83-Y204 WeakPolarHBondContact O-CE2 3.35Å; L83-Y204 PolarHBondContact O-OH 3.45Å; F87-Y204 HydrophobicContact CB-CE2 4.14Å; F87-Y204 WeakPolarHBondContact CB-OH 3.48Å; F87-Y204 HydrophobicContact CD2-CE1 4Å; F87-Y204 AromaticContact CD2-CZ 3.9Å; L130-Y204 WeakPolarHBondContact CD1-OH 3.44Å; F153-Y204 AromaticContact CD2-CD2 3.93Å; F153-Y204 HydrophobicContact CD2-CD2 3.93Å; F153-Y204 HydrophobicContact CD2-CG 4.34Å; F153-Y204 AromaticContact CE2-CD2 3.86Å; F153-Y204 HydrophobicContact CE2-CD2 3.86Å; F153-Y204 HydrophobicContact CE2-CG 4.37Å; E200-Y204 PolarHBondContact O-N 3.19Å; W201-Y204 HydrophobicContact CE3-CD1 4.04Å; W201-Y204 AromaticContact CE3-CG 4Å; W201-Y204 HydrophobicContact CE3-CG 4Å; W201-Y204 HydrophobicContact CZ3-CD1 4.12Å; W201-Y204 HydrophobicContact CZ3-CG 4.09Å; W201-Y204 PolarHBondContact O-N 3.42Å; I202-Y204 VanDerWaalsContact C-N 3.32Å; I202-Y204 PolarHBondContact O-N 3.36Å; Y204-L206 VanDerWaalsContact C-N 3.28Å; Y204-L206 PolarHBondContact O-N 3.01Å; Y204-A207 PolarHBondContact O-N 3Å; Y204-T208 HydrophobicContact CD1-CG2 4.12Å; Y204-T208 HydrophobicContact CD2-CG2 4.32Å; Y204-T208 HydrophobicContact CE1-CG2 3.76Å; Y204-T208 HydrophobicContact CE2-CG2 3.99Å; Y204-T208 HydrophobicContact CG-CG2 4.37Å; Y204-T208 WeakPolarHBondContact O-CG2 3.31Å; Y204-T208 PolarHBondContact O-N 3.33Å; Y204-T208 PolarHBondContact O-OG1 3.36Å; Y204-T208 VanDerWaalsContact O-OG1 3.11Å; Y204-A213 HydrophobicContact CD1-CB 3.83Å; Y204-A213 HydrophobicContact CE1-CB 4.02Å
205A98.9Very high98.8Very high9 Ų928.6 Ų28.67%0.07414%0.14CC..Hα-helixtrans-62.2-35.8178.500000112.7W201 I202 G203 T208 W209 A213 L214 A217W201-A205 WeakPolarHBondContact O-CB 3.48Å; W201-A205 PolarHBondContact O-N 3.17Å; I202-A205 PolarHBondContact O-N 3.09Å; G203-A205 PolarHBondContact O-N 3.36Å; A205-T208 PolarHBondContact O-OG1 3.07Å; A205-W209 WeakPolarHBondContact O-CA 3.29Å; A205-W209 PolarHBondContact O-N 3.45Å; A205-A213 HydrophobicContact CB-CB 4.13Å; A205-L214 HydrophobicContact CB-CB 4.35Å; A205-A217 HydrophobicContact CB-CB 4.19Å
206L98.8Very high98.8Very high42 Ų4228 Ų2822%0.2214%0.137CC..Hα-helixtrans-67.7-44.9175-176.461.9000111.5R145 L148 L152 I202 G203 Y204 W209R145-L206 HydrophobicContact CB-CD1 4.2Å; R145-L206 HydrophobicContact CB-CG 4.42Å; R145-L206 HydrophobicContact CG-CD1 4.14Å; L148-L206 HydrophobicContact CB-CD2 4.15Å; L148-L206 HydrophobicContact CD2-CD2 3.97Å; L148-L206 HydrophobicContact CG-CD2 3.94Å; L152-L206 HydrophobicContact CD1-CD2 4.37Å; I202-L206 PolarHBondContact O-N 3.36Å; G203-L206 PolarHBondContact O-N 3.21Å; Y204-L206 VanDerWaalsContact C-N 3.28Å; Y204-L206 PolarHBondContact O-N 3.01Å; L206-W209 HydrophobicContact CD1-CE3 4.08Å; L206-W209 HydrophobicContact CD1-CZ3 3.79Å; L206-W209 PolarHBondContact O-N 3.46Å
207A98.7Very high98.8Very high1 Ų128.2 Ų28.21%0.00814%0.139CC..Hα-helixtrans-69.4-37.1-178.800000113L83 W140 V150 G203 Y204L83-A207 HydrophobicContact CD2-CB 3.67Å; W140-A207 PolarHBondContact NE1-O 2.92Å; V150-A207 HydrophobicContact CG2-CB 4.09Å; G203-A207 WeakPolarHBondContact O-CB 3.18Å; G203-A207 PolarHBondContact O-N 3.02Å; Y204-A207 PolarHBondContact O-N 3Å
208T98.6Very high98.8Very high2 Ų231 Ų311%0.01215%0.151CC..Hα-helixtrans-81.1-21.6176.665.30000113.2L83 L130 Y136 Y204 A205 S210 A213L83-T208 HydrophobicContact CB-CG2 4.04Å; L83-T208 HydrophobicContact CD1-CG2 3.93Å; L83-T208 HydrophobicContact CD2-CG2 4.36Å; L83-T208 HydrophobicContact CG-CG2 4.34Å; L130-T208 HydrophobicContact CD1-CG2 4.27Å; L130-T208 HydrophobicContact CD2-CG2 3.91Å; Y136-T208 WeakPolarHBondContact CE1-O 3.37Å; Y136-T208 PolarHBondContact OH-O 3.25Å; Y204-T208 HydrophobicContact CD1-CG2 4.12Å; Y204-T208 HydrophobicContact CD2-CG2 4.32Å; Y204-T208 HydrophobicContact CE1-CG2 3.76Å; Y204-T208 HydrophobicContact CE2-CG2 3.99Å; Y204-T208 HydrophobicContact CG-CG2 4.37Å; Y204-T208 WeakPolarHBondContact O-CG2 3.31Å; Y204-T208 PolarHBondContact O-N 3.33Å; Y204-T208 PolarHBondContact O-OG1 3.36Å; Y204-T208 VanDerWaalsContact O-OG1 3.11Å; A205-T208 PolarHBondContact O-OG1 3.07Å; T208-S210 WeakPolarHBondContact CB-OG 3.27Å; T208-S210 PolarHBondContact O-N 3.24Å; T208-S210 VanDerWaalsContact O-N 3.13Å; T208-S210 PolarHBondContact OG1-N 3.39Å; T208-S210 PolarHBondContact OG1-OG 3.44Å; T208-A213 VanDerWaalsContact OG1-CB 3.3Å; T208-A213 WeakPolarHBondContact OG1-CB 3.49Å
209W98.6Very high98.8Very high154 Ų15431.5 Ų31.558%0.58315%0.153SC*.THydrogen-bonded Turntrans46.938.2-173.3-159.9-106.9000112.9W140 R145 A205 L206W140-W209 HydrophobicContact CH2-CB 3.75Å; W140-W209 HydrophobicContact CH2-CG 4.13Å; W140-W209 HydrophobicContact CZ2-CB 3.76Å; R145-W209 HydrophobicContact CG-CE3 4.19Å; R145-W209 HydrophobicContact CG-CZ3 4.3Å; A205-W209 WeakPolarHBondContact O-CA 3.29Å; A205-W209 PolarHBondContact O-N 3.45Å; L206-W209 HydrophobicContact CD1-CE3 4.08Å; L206-W209 HydrophobicContact CD1-CZ3 3.79Å; L206-W209 PolarHBondContact O-N 3.46Å
210S98.3Very high98.7Very high5 Ų529.7 Ų29.74%0.03514%0.144CC..  trans-116137.7-169.869.50000112.4T208 A213 L214T208-S210 WeakPolarHBondContact CB-OG 3.27Å; T208-S210 PolarHBondContact O-N 3.24Å; T208-S210 VanDerWaalsContact O-N 3.13Å; T208-S210 PolarHBondContact OG1-N 3.39Å; T208-S210 PolarHBondContact OG1-OG 3.44Å; S210-A213 PolarHBondContact O-N 2.89Å; S210-A213 WeakPolarHBondContact OG-CB 3.21Å; S210-A213 PolarHBondContact OG-N 3.02Å; S210-L214 PolarHBondContact O-N 3.29Å
211L98.5Very high98.7Very high87 Ų8732.5 Ų32.546%0.45516%0.161SC..Hα-helixtrans-53.6-48.2174.3-17767.1000114.3L11 A213 L214 A215L11-L211 HydrophobicContact CD2-CD2 3.55Å; L211-A213 PolarHBondContact O-N 2.99Å; L211-L214 PolarHBondContact O-N 3.11Å; L211-A215 PolarHBondContact O-N 3.32Å
212P98.6Very high98.7Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-67.2-34.4-177.927.1-36.9000112.8V10 S14 L125 Q126 Y129 A215 F216V10-P212 HydrophobicContact CG1-CG 4.36Å; S14-P212 WeakPolarHBondContact OG-CA 3.39Å; S14-P212 WeakPolarHBondContact OG-CB 3.34Å; L125-P212 HydrophobicContact CD1-CB 4.14Å; L125-P212 HydrophobicContact CD2-CB 3.82Å; L125-P212 HydrophobicContact CG-CB 3.75Å; Q126-P212 VanDerWaalsContact OE1-C 3.23Å; Q126-P212 VanDerWaalsContact OE1-CB 3.29Å; Q126-P212 PolarHBondContact OE1-O 2.92Å; Y129-P212 HydrophobicContact CD1-CG 3.87Å; Y129-P212 HydrophobicContact CD2-CG 3.84Å; Y129-P212 HydrophobicContact CE1-CG 4.44Å; Y129-P212 HydrophobicContact CE2-CG 4.37Å; Y129-P212 HydrophobicContact CG-CG 3.53Å; P212-A215 PolarHBondContact O-N 2.99Å; P212-F216 PolarHBondContact O-N 3.34Å
213A98.8Very high98.6Very high1 Ų130.5 Ų30.51%0.00815%0.15CC..Hα-helixtrans-66.7-39171.900000112.9Q126 Y204 A205 T208 S210 L211 A215 F216 A217Q126-A213 VanDerWaalsContact NE2-CA 3.35Å; Y204-A213 HydrophobicContact CD1-CB 3.83Å; Y204-A213 HydrophobicContact CE1-CB 4.02Å; A205-A213 HydrophobicContact CB-CB 4.13Å; T208-A213 VanDerWaalsContact OG1-CB 3.3Å; T208-A213 WeakPolarHBondContact OG1-CB 3.49Å; S210-A213 PolarHBondContact O-N 2.89Å; S210-A213 WeakPolarHBondContact OG-CB 3.21Å; S210-A213 PolarHBondContact OG-N 3.02Å; L211-A213 PolarHBondContact O-N 2.99Å; A213-A215 VanDerWaalsContact C-N 3.34Å; A213-F216 PolarHBondContact O-N 2.92Å; A213-A217 WeakPolarHBondContact O-CB 3.36Å; A213-A217 PolarHBondContact O-N 3.45Å
214L98.9Very high98.6Very high106 Ų10631.2 Ų31.256%0.55515%0.154SC*.Hα-helixtrans-63.1-41.9173.8-17962000111.4A205 S210 L211 F216 A217 F218A205-L214 HydrophobicContact CB-CB 4.35Å; S210-L214 PolarHBondContact O-N 3.29Å; L211-L214 PolarHBondContact O-N 3.11Å; L214-F216 VanDerWaalsContact C-N 3.34Å; L214-F216 PolarHBondContact O-N 3.23Å; L214-A217 PolarHBondContact O-N 2.72Å; L214-F218 WeakPolarHBondContact O-CB 3.02Å; L214-F218 PolarHBondContact O-N 2.97Å
215A98.8Very high98.6Very high6 Ų631.6 Ų31.65%0.0516%0.158CC..Hα-helixtrans-61.8-41.2175.300000112L17 V18 L211 P212 A213 F218 F219L17-A215 HydrophobicContact CB-CB 4.11Å; L17-A215 HydrophobicContact CD1-CB 4.34Å; V18-A215 HydrophobicContact CG2-CB 3.9Å; L211-A215 PolarHBondContact O-N 3.32Å; P212-A215 PolarHBondContact O-N 2.99Å; A213-A215 VanDerWaalsContact C-N 3.34Å; A215-F218 PolarHBondContact O-N 3.42Å; A215-F219 PolarHBondContact O-N 3.34Å
216F98.8Very high98.5Very high5 Ų532.3 Ų32.32%0.02216%0.16CC..Hα-helixtrans-67.4-41.7175.1-178.9-130.8000112.4L17 F87 F118 N122 W201 P212 A213 L214 F218 F219 S220L17-F216 HydrophobicContact CD1-CB 4.09Å; F87-F216 HydrophobicContact CE2-CE1 4.28Å; F118-F216 AromaticContact CE1-CE2 3.93Å; F118-F216 HydrophobicContact CE1-CE2 3.93Å; F118-F216 HydrophobicContact CZ-CD2 4.14Å; F118-F216 AromaticContact CZ-CE2 3.89Å; F118-F216 HydrophobicContact CZ-CE2 3.89Å; N122-F216 WeakPolarHBondContact ND2-CD2 3.24Å; N122-F216 VanDerWaalsContact ND2-CE2 3.31Å; N122-F216 WeakPolarHBondContact ND2-CE2 3.42Å; N122-F216 WeakPolarHBondContact ND2-CZ 3.18Å; W201-F216 AromaticContact CD2-CD1 3.94Å; W201-F216 HydrophobicContact CD2-CD1 3.94Å; W201-F216 AromaticContact CD2-CE1 3.42Å; W201-F216 HydrophobicContact CD2-CE1 3.42Å; W201-F216 VanDerWaalsContact CD2-CE1 3.42Å; W201-F216 HydrophobicContact CD2-CZ 4.29Å; W201-F216 AromaticContact CE2-CE1 3.4Å; W201-F216 AromaticContact CE2-CZ 3.91Å; W201-F216 AromaticContact CE3-CD1 3.93Å; W201-F216 HydrophobicContact CE3-CD1 3.93Å; W201-F216 AromaticContact CE3-CE1 3.64Å; W201-F216 HydrophobicContact CE3-CE1 3.64Å; W201-F216 HydrophobicContact CG-CD1 4.34Å; W201-F216 HydrophobicContact CG-CE1 4.01Å; W201-F216 AromaticContact CH2-CE1 3.88Å; W201-F216 HydrophobicContact CH2-CE1 3.88Å; W201-F216 AromaticContact CZ2-CE1 3.63Å; W201-F216 HydrophobicContact CZ2-CE1 3.63Å; W201-F216 HydrophobicContact CZ2-CZ 4.13Å; W201-F216 HydrophobicContact CZ3-CD1 4.38Å; W201-F216 AromaticContact CZ3-CE1 3.88Å; W201-F216 HydrophobicContact CZ3-CE1 3.88Å; W201-F216 AromaticContact NE1-CE1 3.92Å; P212-F216 PolarHBondContact O-N 3.34Å; A213-F216 PolarHBondContact O-N 2.92Å; L214-F216 VanDerWaalsContact C-N 3.34Å; L214-F216 PolarHBondContact O-N 3.23Å; F216-F218 VanDerWaalsContact C-N 3.33Å; F216-F218 PolarHBondContact O-N 2.79Å; F216-F219 HydrophobicContact CD2-CD1 4.26Å; F216-F219 HydrophobicContact CE2-CD1 4.25Å; F216-F219 WeakPolarHBondContact O-CB 3.35Å; F216-F219 PolarHBondContact O-N 2.94Å; F216-S220 WeakPolarHBondContact O-CB 3.39Å; F216-S220 PolarHBondContact O-N 3.44Å; F216-S220 PolarHBondContact O-OG 3.39Å
217A98.8Very high98.4Very high5 Ų531.8 Ų31.84%0.04116%0.155CC..Hα-helixtrans-59.8-43.717400000111.5W201 A205 A213 L214 S220 V221W201-A217 HydrophobicContact CB-CB 4.09Å; W201-A217 WeakPolarHBondContact O-CB 3.29Å; A205-A217 HydrophobicContact CB-CB 4.19Å; A213-A217 WeakPolarHBondContact O-CB 3.36Å; A213-A217 PolarHBondContact O-N 3.45Å; L214-A217 PolarHBondContact O-N 2.72Å; A217-S220 WeakPolarHBondContact O-CB 3.34Å; A217-S220 PolarHBondContact O-N 3.05Å; A217-V221 WeakPolarHBondContact O-CG2 3.44Å; A217-V221 PolarHBondContact O-N 3.35Å
218F98.8Very high98.4Very high86 Ų8631.7 Ų31.738%0.37716%0.155SC..Hα-helixtrans-61-45.5174.3174-94.9000112.4V18 L214 A215 F216 S220 V221 C222V18-F218 HydrophobicContact CB-CD1 4.35Å; V18-F218 HydrophobicContact CB-CE1 4.45Å; V18-F218 HydrophobicContact CG1-CD1 4.15Å; V18-F218 HydrophobicContact CG1-CE1 3.87Å; V18-F218 HydrophobicContact CG2-CD1 4.21Å; L214-F218 WeakPolarHBondContact O-CB 3.02Å; L214-F218 PolarHBondContact O-N 2.97Å; A215-F218 PolarHBondContact O-N 3.42Å; F216-F218 VanDerWaalsContact C-N 3.33Å; F216-F218 PolarHBondContact O-N 2.79Å; F218-S220 VanDerWaalsContact C-N 3.32Å; F218-S220 PolarHBondContact O-N 3.46Å; F218-V221 PolarHBondContact O-N 2.72Å; F218-C222 VanDerWaalsContact CE1-SG 3.57Å; F218-C222 WeakPolarHBondContact CZ-SG 3.38Å; F218-C222 PolarHBondContact O-N 3.16Å; F218-C222 PolarHBondContact O-SG 3.12Å
219F98.7Very high98.4Very high23 Ų2334.9 Ų34.910%0.10117%0.168CC..Hα-helixtrans-57.3-46.7174.1169.5-92.6000111.1L20 F118 A215 F216 V221 C222 F223L20-F219 HydrophobicContact CB-CD2 3.97Å; L20-F219 HydrophobicContact CB-CE2 3.97Å; F118-F219 HydrophobicContact CD2-CZ 4.28Å; F118-F219 HydrophobicContact CE1-CD1 4.41Å; F118-F219 AromaticContact CE1-CE1 3.92Å; F118-F219 HydrophobicContact CE1-CE1 3.92Å; F118-F219 AromaticContact CE2-CD1 3.9Å; F118-F219 HydrophobicContact CE2-CD1 3.9Å; F118-F219 HydrophobicContact CE2-CD2 4.2Å; F118-F219 AromaticContact CE2-CE1 3.56Å; F118-F219 HydrophobicContact CE2-CE1 3.56Å; F118-F219 AromaticContact CE2-CE2 3.89Å; F118-F219 HydrophobicContact CE2-CE2 3.89Å; F118-F219 HydrophobicContact CE2-CG 4.22Å; F118-F219 AromaticContact CE2-CZ 3.55Å; F118-F219 HydrophobicContact CE2-CZ 3.55Å; F118-F219 AromaticContact CZ-CD1 3.44Å; F118-F219 HydrophobicContact CZ-CD1 3.44Å; F118-F219 VanDerWaalsContact CZ-CD1 3.44Å; F118-F219 AromaticContact CZ-CE1 3.19Å; F118-F219 HydrophobicContact CZ-CE1 3.19Å; F118-F219 HydrophobicContact CZ-CE2 4.37Å; F118-F219 HydrophobicContact CZ-CG 4.14Å; F118-F219 AromaticContact CZ-CZ 3.71Å; F118-F219 HydrophobicContact CZ-CZ 3.71Å; A215-F219 PolarHBondContact O-N 3.34Å; F216-F219 HydrophobicContact CD2-CD1 4.26Å; F216-F219 HydrophobicContact CE2-CD1 4.25Å; F216-F219 WeakPolarHBondContact O-CB 3.35Å; F216-F219 PolarHBondContact O-N 2.94Å; F219-V221 PolarHBondContact O-N 3.34Å; F219-C222 PolarHBondContact O-N 2.92Å; F219-F223 HydrophobicContact CE1-CB 4.18Å; F219-F223 HydrophobicContact CE1-CG 4.46Å; F219-F223 HydrophobicContact CE2-CB 4.43Å; F219-F223 HydrophobicContact CZ-CB 4.07Å; F219-F223 HydrophobicContact CZ-CD2 4.34Å; F219-F223 HydrophobicContact CZ-CG 4.17Å; F219-F223 WeakPolarHBondContact O-CB 3.22Å; F219-F223 PolarHBondContact O-N 3.02Å
220S98.4Very high98.3Very high6 Ų628.7 Ų28.74%0.04215%0.146CC..Hα-helixtrans-60.7-42.5178.6-69.40000111.9F216 A217 F218 L224F216-S220 WeakPolarHBondContact O-CB 3.39Å; F216-S220 PolarHBondContact O-N 3.44Å; F216-S220 PolarHBondContact O-OG 3.39Å; A217-S220 WeakPolarHBondContact O-CB 3.34Å; A217-S220 PolarHBondContact O-N 3.05Å; F218-S220 VanDerWaalsContact C-N 3.32Å; F218-S220 PolarHBondContact O-N 3.46Å; S220-L224 WeakPolarHBondContact O-CB 3.28Å; S220-L224 WeakPolarHBondContact O-CG 3.44Å; S220-L224 PolarHBondContact O-N 2.81Å
221V98.6Very high98.3Very high59 Ų5929.5 Ų29.536%0.35815%0.149SC..Hα-helixtrans-59.1-49.8173.2171.20000111.1I198 I202 A217 F218 F219 G225I198-V221 HydrophobicContact CD1-CG2 4.47Å; I198-V221 HydrophobicContact CG1-CG2 4.27Å; I198-V221 HydrophobicContact CG2-CG2 3.65Å; I202-V221 HydrophobicContact CD1-CG2 4.47Å; A217-V221 WeakPolarHBondContact O-CG2 3.44Å; A217-V221 PolarHBondContact O-N 3.35Å; F218-V221 PolarHBondContact O-N 2.72Å; F219-V221 PolarHBondContact O-N 3.34Å; V221-G225 VanDerWaalsContact O-CA 3.24Å; V221-G225 WeakPolarHBondContact O-CA 3.42Å; V221-G225 PolarHBondContact O-N 2.7Å
222C98.3Very high98.3Very high7 Ų726.8 Ų26.85%0.04713%0.134CC..Hα-helixtrans-60.4-50.7179.8-67.40000111.8G21 L25 F218 F219 L226G21-C222 WeakPolarHBondContact O-CB 3.47Å; L25-C222 HydrophobicContact CD1-CB 4.26Å; L25-C222 HydrophobicContact CD2-CB 4.25Å; L25-C222 HydrophobicContact CG-CB 4.03Å; F218-C222 VanDerWaalsContact CE1-SG 3.57Å; F218-C222 WeakPolarHBondContact CZ-SG 3.38Å; F218-C222 PolarHBondContact O-N 3.16Å; F218-C222 PolarHBondContact O-SG 3.12Å; F219-C222 PolarHBondContact O-N 2.92Å; C222-L226 VanDerWaalsContact O-CB 3.31Å; C222-L226 WeakPolarHBondContact O-CB 3.49Å; C222-L226 PolarHBondContact O-N 3.26Å
223F97.9Very high98.2Very high36 Ų3632.1 Ų32.116%0.15815%0.154CC..Hα-helixtrans-71.3-51.8-174-175.7-100.8000112.5V24 S31 Y33 F219 R227V24-F223 HydrophobicContact CG1-CD2 4.06Å; V24-F223 HydrophobicContact CG2-CD2 3.97Å; S31-F223 WeakPolarHBondContact OG-CE2 3.35Å; Y33-F223 HydrophobicContact CE1-CZ 4.34Å; F219-F223 HydrophobicContact CE1-CB 4.18Å; F219-F223 HydrophobicContact CE1-CG 4.46Å; F219-F223 HydrophobicContact CE2-CB 4.43Å; F219-F223 HydrophobicContact CZ-CB 4.07Å; F219-F223 HydrophobicContact CZ-CD2 4.34Å; F219-F223 HydrophobicContact CZ-CG 4.17Å; F219-F223 WeakPolarHBondContact O-CB 3.22Å; F219-F223 PolarHBondContact O-N 3.02Å; F223-R227 VanDerWaalsContact O-CB 3.31Å; F223-R227 WeakPolarHBondContact O-CB 3.32Å; F223-R227 PolarHBondContact O-N 3.29Å; F223-R227 VanDerWaalsContact O-N 3.14Å
224L98.3Very high98.1Very high15 Ų1533.9 Ų33.98%0.07916%0.162CC..Hα-helixtrans-75.5-31.9-177.5-58.1177.6000111.6F194 E197 I198 S220 R227 A228F194-L224 HydrophobicContact CB-CB 4.06Å; F194-L224 HydrophobicContact CD1-CB 4.45Å; F194-L224 HydrophobicContact CD1-CD2 3.87Å; F194-L224 HydrophobicContact CE1-CD2 4.21Å; F194-L224 HydrophobicContact CG-CB 4.3Å; E197-L224 HydrophobicContact CB-CD1 3.86Å; E197-L224 HydrophobicContact CG-CD1 3.89Å; I198-L224 HydrophobicContact CD1-CB 4.11Å; I198-L224 HydrophobicContact CG1-CB 4.32Å; I198-L224 HydrophobicContact CG1-CD1 4.27Å; S220-L224 WeakPolarHBondContact O-CB 3.28Å; S220-L224 WeakPolarHBondContact O-CG 3.44Å; S220-L224 PolarHBondContact O-N 2.81Å; L224-R227 WeakPolarHBondContact O-CB 3.37Å; L224-R227 PolarHBondContact O-N 2.87Å; L224-A228 WeakPolarHBondContact O-CB 3.24Å; L224-A228 PolarHBondContact O-N 2.98Å
225G98.2Very high98.1Very high8 Ų829.1 Ų29.18%0.08214%0.137CC..Hα-helixtrans-66-48.7175.600000112.7V221 R227 A228 F229V221-G225 VanDerWaalsContact O-CA 3.24Å; V221-G225 WeakPolarHBondContact O-CA 3.42Å; V221-G225 PolarHBondContact O-N 2.7Å; G225-R227 PolarHBondContact O-N 3.04Å; G225-A228 PolarHBondContact O-N 3.09Å; G225-F229 PolarHBondContact O-N 2.97Å
226L97.6Very high98Very high25 Ų2532.7 Ų32.713%0.13115%0.154CC..Hα-helixtrans-59.8-37.6173.3-177.662.7000111.1V24 L25 C222 F229 H230V24-L226 HydrophobicContact CG1-CD2 3.75Å; V24-L226 VanDerWaalsContact O-CD2 3.31Å; V24-L226 WeakPolarHBondContact O-CD2 3.49Å; L25-L226 HydrophobicContact CD2-CB 4.33Å; C222-L226 VanDerWaalsContact O-CB 3.31Å; C222-L226 WeakPolarHBondContact O-CB 3.49Å; C222-L226 PolarHBondContact O-N 3.26Å; L226-F229 HydrophobicContact CD1-CD1 4.41Å; L226-F229 WeakPolarHBondContact O-CB 3.38Å; L226-F229 PolarHBondContact O-N 3.06Å; L226-H230 PolarHBondContact O-CD2 2.79Å; L226-H230 PolarHBondContact O-N 3.49Å; L226-H230 VanDerWaalsContact O-N 3.08Å
227R96.9Very high97.9Very high30 Ų3040 Ų4011%0.11319%0.186CC..Hα-helixtrans-67-42.1177.1-170176-168.6154.923113.2Y33 F194 F223 L224 G225 F229 H230 H231Y33-R227 PolarHBondContact OH-NH1 3.43Å; F194-R227 HydrophobicContact CE2-CB 4.23Å; F194-R227 HydrophobicContact CE2-CG 3.76Å; F194-R227 VanDerWaalsContact CZ-CD 3.43Å; F194-R227 HydrophobicContact CZ-CG 3.87Å; F223-R227 VanDerWaalsContact O-CB 3.31Å; F223-R227 WeakPolarHBondContact O-CB 3.32Å; F223-R227 PolarHBondContact O-N 3.29Å; F223-R227 VanDerWaalsContact O-N 3.14Å; L224-R227 WeakPolarHBondContact O-CB 3.37Å; L224-R227 PolarHBondContact O-N 2.87Å; G225-R227 PolarHBondContact O-N 3.04Å; R227-F229 VanDerWaalsContact C-N 3.3Å; R227-F229 PolarHBondContact O-N 2.78Å; R227-H230 PolarHBondContact O-N 3.31Å; R227-H231 WeakPolarHBondContact O-CB 3.11Å; R227-H231 PolarHBondContact O-N 2.89Å
228A98.1Very high97.8Very high0 Ų045.2 Ų45.20%021%0.211CC..Hα-helixtrans-59.8-43.917600000110.7F194 L224 G225 H230 H231 H232 L249F194-A228 HydrophobicContact CD2-CB 3.85Å; L224-A228 WeakPolarHBondContact O-CB 3.24Å; L224-A228 PolarHBondContact O-N 2.98Å; G225-A228 PolarHBondContact O-N 3.09Å; A228-H230 PolarHBondContact O-N 3.12Å; A228-H231 WeakPolarHBondContact O-CB 3.09Å; A228-H231 PolarHBondContact O-N 3.39Å; A228-H232 WeakPolarHBondContact O-CB 3.44Å; A228-H232 PolarHBondContact O-N 2.92Å; A228-L249 HydrophobicContact CB-CB 3.92Å; A228-L249 HydrophobicContact CB-CD1 3.73Å; A228-L249 HydrophobicContact CB-CG 4.32Å
229F98.2Very high97.7Very high68 Ų6843.6 Ų43.630%0.29820%0.204SC..Hα-helixtrans-57.1-49.3174.1171.3-103.2000112.5G225 L226 R227 H231 H232 R233 F254G225-F229 PolarHBondContact O-N 2.97Å; L226-F229 HydrophobicContact CD1-CD1 4.41Å; L226-F229 WeakPolarHBondContact O-CB 3.38Å; L226-F229 PolarHBondContact O-N 3.06Å; R227-F229 VanDerWaalsContact C-N 3.3Å; R227-F229 PolarHBondContact O-N 2.78Å; F229-H231 VanDerWaalsContact C-N 3.34Å; F229-H231 PolarHBondContact O-N 3.34Å; F229-H232 WeakPolarHBondContact O-CB 3.42Å; F229-H232 PolarHBondContact O-N 2.97Å; F229-R233 HydrophobicContact CE1-CG 4.45Å; F229-R233 HydrophobicContact CE2-CG 4.28Å; F229-R233 VanDerWaalsContact CZ-CD 3.42Å; F229-R233 HydrophobicContact CZ-CG 4.22Å; F229-R233 PolarHBondContact O-N 3.39Å; F229-F254 HydrophobicContact CB-CZ 3.98Å; F229-F254 HydrophobicContact CD2-CE2 4.13Å; F229-F254 HydrophobicContact CD2-CZ 4.02Å; F229-F254 HydrophobicContact CG-CZ 4.34Å
230H97.7Very high97.6Very high24 Ų2451.4 Ų51.411%0.11124%0.241CC..Hα-helixtrans-66.8-34.7177.9-75.9-62.6000112.9A28 P30 L226 R227 A228 F234A28-H230 PolarHBondContact O-CE1 3.28Å; A28-H230 PolarHBondContact O-NE2 3.15Å; P30-H230 HydrophobicContact CB-CB 4.19Å; P30-H230 HydrophobicContact CG-CB 4.36Å; L226-H230 PolarHBondContact O-CD2 2.79Å; L226-H230 PolarHBondContact O-N 3.49Å; L226-H230 VanDerWaalsContact O-N 3.08Å; R227-H230 PolarHBondContact O-N 3.31Å; A228-H230 PolarHBondContact O-N 3.12Å; H230-F234 WeakPolarHBondContact O-CB 3.47Å; H230-F234 PolarHBondContact O-N 3.29Å
231H97.2Very high97.5Very high22 Ų2257.9 Ų57.910%0.10228%0.275CS..Hα-helixtrans-63.6-42.6172-81.3-165.9000111.9K35 H36 F194 R227 A228 F229 F234 Y235K35-H231 PolarHBondContact NZ-ND1 3.42Å; H36-H231 AromaticContact NE2-CD2 3.59Å; F194-H231 AromaticContact CE2-CE1 3.6Å; F194-H231 AromaticContact CE2-ND1 3.38Å; F194-H231 WeakPolarHBondContact CE2-ND1 3.37Å; F194-H231 AromaticContact CZ-CE1 3.55Å; F194-H231 AromaticContact CZ-ND1 3.81Å; R227-H231 WeakPolarHBondContact O-CB 3.11Å; R227-H231 PolarHBondContact O-N 2.89Å; A228-H231 WeakPolarHBondContact O-CB 3.09Å; A228-H231 PolarHBondContact O-N 3.39Å; F229-H231 VanDerWaalsContact C-N 3.34Å; F229-H231 PolarHBondContact O-N 3.34Å; H231-F234 WeakPolarHBondContact O-CB 3.48Å; H231-F234 PolarHBondContact O-N 3.24Å; H231-Y235 HydrophobicContact CB-CE2 4.5Å; H231-Y235 WeakPolarHBondContact O-CD2 3.23Å; H231-Y235 PolarHBondContact O-N 3.48Å
232H98.2Very high97.4Very high30 Ų3055.4 Ų55.414%0.13926%0.259CS..Hα-helixtrans-62.1-49.1176.7-175.169.3000111.1S190 A228 F229 F234 Y235 L236 R246 A248S190-H232 PolarHBondContact OG-ND1 3.17Å; A228-H232 WeakPolarHBondContact O-CB 3.44Å; A228-H232 PolarHBondContact O-N 2.92Å; F229-H232 WeakPolarHBondContact O-CB 3.42Å; F229-H232 PolarHBondContact O-N 2.97Å; H232-F234 VanDerWaalsContact C-N 3.29Å; H232-F234 PolarHBondContact O-N 3.47Å; H232-Y235 PolarHBondContact O-N 2.77Å; H232-Y235 VanDerWaalsContact O-N 3.11Å; H232-L236 WeakPolarHBondContact NE2-CD1 3.27Å; H232-L236 PolarHBondContact O-N 3.47Å; H232-R246 PolarHBondContact CE1-O 2.83Å; H232-A248 HydrophobicContact CB-CB 3.64Å
233R97.6Very high97.4Very high113 Ų11357.3 Ų57.343%0.42627%0.271SS..Hα-helixtrans-59.2-39.4174.8-71.9-172.874.8-174.79.2112.8F229 K237F229-R233 HydrophobicContact CE1-CG 4.45Å; F229-R233 HydrophobicContact CE2-CG 4.28Å; F229-R233 VanDerWaalsContact CZ-CD 3.42Å; F229-R233 HydrophobicContact CZ-CG 4.22Å; F229-R233 PolarHBondContact O-N 3.39Å; R233-K237 WeakPolarHBondContact O-CB 3.23Å; R233-K237 VanDerWaalsContact O-CG 3.28Å; R233-K237 WeakPolarHBondContact O-CG 3.31Å; R233-K237 PolarHBondContact O-N 3Å
234F96.9Very high97.3Very high37 Ų3764.2 Ų64.216%0.16230%0.301CS..Hα-helixtrans-61.1-47.3174.7173.6-88.2000110.9K35 Y178 H230 H231 H232 K237 M238 F239K35-F234 HydrophobicContact CB-CD2 4.28Å; K35-F234 HydrophobicContact CB-CE2 4.39Å; K35-F234 HydrophobicContact CB-CG 4.47Å; K35-F234 HydrophobicContact CD-CB 4.4Å; K35-F234 HydrophobicContact CD-CD1 3.64Å; K35-F234 HydrophobicContact CD-CE1 3.97Å; K35-F234 HydrophobicContact CD-CG 3.93Å; K35-F234 HydrophobicContact CG-CD1 4.24Å; K35-F234 HydrophobicContact CG-CE1 4.18Å; K35-F234 HydrophobicContact CG-CE2 4.47Å; K35-F234 HydrophobicContact CG-CG 4.42Å; K35-F234 HydrophobicContact CG-CZ 4.29Å; Y178-F234 HydrophobicContact CD1-CE1 4.42Å; Y178-F234 HydrophobicContact CD2-CE1 4.27Å; Y178-F234 AromaticContact CD2-CZ 3.75Å; Y178-F234 HydrophobicContact CD2-CZ 3.75Å; Y178-F234 HydrophobicContact CE2-CZ 4.25Å; Y178-F234 HydrophobicContact CG-CE1 4.02Å; Y178-F234 AromaticContact CG-CZ 3.99Å; Y178-F234 HydrophobicContact CG-CZ 3.99Å; H230-F234 WeakPolarHBondContact O-CB 3.47Å; H230-F234 PolarHBondContact O-N 3.29Å; H231-F234 WeakPolarHBondContact O-CB 3.48Å; H231-F234 PolarHBondContact O-N 3.24Å; H232-F234 VanDerWaalsContact C-N 3.29Å; H232-F234 PolarHBondContact O-N 3.47Å; F234-K237 PolarHBondContact O-N 3.39Å; F234-M238 HydrophobicContact CD1-CG 4.22Å; F234-M238 HydrophobicContact CD2-CG 3.87Å; F234-M238 HydrophobicContact CE1-CB 4.31Å; F234-M238 HydrophobicContact CE1-CG 3.97Å; F234-M238 HydrophobicContact CE2-CG 3.6Å; F234-M238 HydrophobicContact CE2-SD 4.34Å; F234-M238 HydrophobicContact CG-CG 4.18Å; F234-M238 HydrophobicContact CZ-CB 4.37Å; F234-M238 HydrophobicContact CZ-CG 3.66Å; F234-M238 VanDerWaalsContact O-CB 3.3Å; F234-M238 WeakPolarHBondContact O-CB 3.3Å; F234-M238 VanDerWaalsContact O-CG 3.23Å; F234-M238 WeakPolarHBondContact O-CG 3.47Å; F234-M238 PolarHBondContact O-N 2.65Å; F234-F239 HydrophobicContact CE1-CE2 4.28Å
235Y97.5Very high97.3Very high7 Ų768.2 Ų68.23%0.02733%0.331CS..Hα-helixtrans-64.1-45.1-178.9-74.6-58.3000112.7K35 P181 H231 H232 K237 M238 F239 Y242K35-Y235 PolarHBondContact NZ-OH 3.35Å; P181-Y235 HydrophobicContact CG-CE2 4.41Å; H231-Y235 HydrophobicContact CB-CE2 4.5Å; H231-Y235 WeakPolarHBondContact O-CD2 3.23Å; H231-Y235 PolarHBondContact O-N 3.48Å; H232-Y235 PolarHBondContact O-N 2.77Å; H232-Y235 VanDerWaalsContact O-N 3.11Å; Y235-K237 PolarHBondContact O-N 3.06Å; Y235-M238 PolarHBondContact O-N 3.19Å; Y235-F239 AromaticContact CD1-CD2 3.75Å; Y235-F239 HydrophobicContact CD1-CD2 3.75Å; Y235-F239 AromaticContact CD1-CE2 3.59Å; Y235-F239 HydrophobicContact CD1-CE2 3.59Å; Y235-F239 HydrophobicContact CE1-CE2 4Å; Y235-F239 PolarHBondContact O-N 3.03Å; Y235-Y242 HydrophobicContact CD1-CD2 4.46Å; Y235-Y242 HydrophobicContact CD1-CE2 4.24Å; Y235-Y242 HydrophobicContact CD2-CE2 4.18Å; Y235-Y242 HydrophobicContact CG-CD2 4.19Å; Y235-Y242 AromaticContact CG-CE2 3.76Å; Y235-Y242 HydrophobicContact CG-CE2 3.76Å
236L97.7Very high97.3Very high81 Ų8168.4 Ų68.442%0.42433%0.329SS..Hα-helixtrans-60-32.2176.5-73.9171.7000113.4H232 Y242H232-L236 WeakPolarHBondContact NE2-CD1 3.27Å; H232-L236 PolarHBondContact O-N 3.47Å; L236-Y242 HydrophobicContact CD2-CD1 3.8Å; L236-Y242 HydrophobicContact CD2-CE1 4.46Å; L236-Y242 HydrophobicContact CG-CD1 4.2Å
237K96.9Very high97.3Very high157 Ų15770.8 Ų70.868%0.68334%0.338SS*.Hα-helixtrans-82.8-34.9179.4-74.6-178.8176.4-166.50113.3R233 F234 Y235R233-K237 WeakPolarHBondContact O-CB 3.23Å; R233-K237 VanDerWaalsContact O-CG 3.28Å; R233-K237 WeakPolarHBondContact O-CG 3.31Å; R233-K237 PolarHBondContact O-N 3Å; F234-K237 PolarHBondContact O-N 3.39Å; Y235-K237 PolarHBondContact O-N 3.06Å
238M95.5Very high97.4Very high116 Ų11669.4 Ų69.457%0.57133%0.333SS*.Hα-helixtrans-93-21.7-169.9-69.2-60-53.400113.9F234 Y235F234-M238 HydrophobicContact CD1-CG 4.22Å; F234-M238 HydrophobicContact CD2-CG 3.87Å; F234-M238 HydrophobicContact CE1-CB 4.31Å; F234-M238 HydrophobicContact CE1-CG 3.97Å; F234-M238 HydrophobicContact CE2-CG 3.6Å; F234-M238 HydrophobicContact CE2-SD 4.34Å; F234-M238 HydrophobicContact CG-CG 4.18Å; F234-M238 HydrophobicContact CZ-CB 4.37Å; F234-M238 HydrophobicContact CZ-CG 3.66Å; F234-M238 VanDerWaalsContact O-CB 3.3Å; F234-M238 WeakPolarHBondContact O-CB 3.3Å; F234-M238 VanDerWaalsContact O-CG 3.23Å; F234-M238 WeakPolarHBondContact O-CG 3.47Å; F234-M238 PolarHBondContact O-N 2.65Å; Y235-M238 PolarHBondContact O-N 3.19Å
239F96.9Very high97.4Very high52 Ų5270 Ų7023%0.22834%0.336CS..  trans-128.8113.8-176-58.1-83.5000109.8Y178 I180 F234 Y235 D241 Y242Y178-F239 WeakPolarHBondContact O-CZ 3.37Å; I180-F239 HydrophobicContact CD1-CB 3.87Å; I180-F239 HydrophobicContact CD1-CD1 4.14Å; I180-F239 HydrophobicContact CD1-CG 4.02Å; I180-F239 HydrophobicContact CG1-CB 4.12Å; I180-F239 HydrophobicContact CG1-CD1 3.85Å; I180-F239 HydrophobicContact CG1-CD2 4.09Å; I180-F239 HydrophobicContact CG1-CE1 4.29Å; I180-F239 HydrophobicContact CG1-CG 3.74Å; F234-F239 HydrophobicContact CE1-CE2 4.28Å; Y235-F239 AromaticContact CD1-CD2 3.75Å; Y235-F239 HydrophobicContact CD1-CD2 3.75Å; Y235-F239 AromaticContact CD1-CE2 3.59Å; Y235-F239 HydrophobicContact CD1-CE2 3.59Å; Y235-F239 HydrophobicContact CE1-CE2 4Å; Y235-F239 PolarHBondContact O-N 3.03Å; F239-D241 PolarHBondContact O-N 3.28Å; F239-Y242 WeakPolarHBondContact O-CB 3.47Å; F239-Y242 PolarHBondContact O-N 3.38Å
240E96.3Very high97.4Very high186 Ų18670.2 Ų70.287%0.86934%0.34SS*.THydrogen-bonded Turntrans-61-36.8175.4-62.7-173.6170.700111.2Y242E240-Y242 PolarHBondContact O-N 2.84Å
241D96.5Very high97.4Very high143 Ų14370.9 Ų70.977%0.76535%0.346SS*.THydrogen-bonded Turntrans-83.312-178.7-47-27000113.5F239F239-D241 PolarHBondContact O-N 3.28Å
242Y98.1Very high97.4Very high6 Ų677.4 Ų77.42%0.02437%0.374CS..  trans-67.1129.9-179.7-168.7-106.9000111.4I180 S190 Y235 L236 F239 E240 K244 R246I180-Y242 HydrophobicContact CD1-CD2 4.36Å; I180-Y242 HydrophobicContact CG1-CD2 4.22Å; I180-Y242 HydrophobicContact CG2-CD2 3.89Å; I180-Y242 HydrophobicContact CG2-CE2 3.97Å; S190-Y242 WeakPolarHBondContact CB-OH 3.4Å; S190-Y242 PolarHBondContact OG-OH 2.87Å; Y235-Y242 HydrophobicContact CD1-CD2 4.46Å; Y235-Y242 HydrophobicContact CD1-CE2 4.24Å; Y235-Y242 HydrophobicContact CD2-CE2 4.18Å; Y235-Y242 HydrophobicContact CG-CD2 4.19Å; Y235-Y242 AromaticContact CG-CE2 3.76Å; Y235-Y242 HydrophobicContact CG-CE2 3.76Å; L236-Y242 HydrophobicContact CD2-CD1 3.8Å; L236-Y242 HydrophobicContact CD2-CE1 4.46Å; L236-Y242 HydrophobicContact CG-CD1 4.2Å; F239-Y242 WeakPolarHBondContact O-CB 3.47Å; F239-Y242 PolarHBondContact O-N 3.38Å; E240-Y242 PolarHBondContact O-N 2.84Å; Y242-K244 PolarHBondContact O-N 2.93Å; Y242-R246 HydrophobicContact CE1-CB 4.24Å; Y242-R246 VanDerWaalsContact OH-CD 3.25Å; Y242-R246 WeakPolarHBondContact OH-CD 3.32Å
243P97.1Very high97.5Very high47 Ų4782.1 Ų82.131%0.30540%0.399SS..  trans-62109.4-179.6-24.935.4000112.4S245 R246P243-S245 PolarHBondContact O-N 3.41Å; P243-R246 HydrophobicContact CB-CG 4.12Å; P243-R246 WeakPolarHBondContact O-CB 3.24Å; P243-R246 PolarHBondContact O-N 3.39Å; P243-R246 VanDerWaalsContact O-N 3.17Å
244K96.8Very high97.4Very high181 Ų18181.3 Ų81.379%0.78740%0.399SS*.THydrogen-bonded Turntrans-69.6-13.9-176.6-61.7-179.8-177173.70114Y242 R246Y242-K244 PolarHBondContact O-N 2.93Å; K244-R246 VanDerWaalsContact C-N 3.3Å
245S97.6Very high97.4Very high99 Ų9983.6 Ų83.669%0.69241%0.411SS*.THydrogen-bonded Turntrans-73-22.4173.355.40000113P243P243-S245 PolarHBondContact O-N 3.41Å
246R98.3Very high97.4Very high12 Ų1287.6 Ų87.65%0.04543%0.431CS..  trans-66.2146.3-180-69.8175.2-172.6-156.910111.1P181 F186 T187 Y188 H232 Y242 P243 K244P181-R246 VanDerWaalsContact O-CZ 3.28Å; P181-R246 PolarHBondContact O-NH1 3.28Å; P181-R246 PolarHBondContact O-NH2 3.15Å; F186-R246 VanDerWaalsContact O-CD 3.25Å; F186-R246 WeakPolarHBondContact O-CD 3.47Å; F186-R246 PolarHBondContact O-NE 3.3Å; F186-R246 PolarHBondContact O-NH1 3.48Å; T187-R246 WeakPolarHBondContact O-CG 3.35Å; Y188-R246 CarbonylContact O-C 3.5Å; Y188-R246 VanDerWaalsContact O-CA 3.28Å; Y188-R246 WeakPolarHBondContact O-CA 3.44Å; H232-R246 PolarHBondContact CE1-O 2.83Å; Y242-R246 HydrophobicContact CE1-CB 4.24Å; Y242-R246 VanDerWaalsContact OH-CD 3.25Å; Y242-R246 WeakPolarHBondContact OH-CD 3.32Å; P243-R246 HydrophobicContact CB-CG 4.12Å; P243-R246 WeakPolarHBondContact O-CB 3.24Å; P243-R246 PolarHBondContact O-N 3.39Å; P243-R246 VanDerWaalsContact O-N 3.17Å; K244-R246 VanDerWaalsContact C-N 3.3Å
247K98.6Very high97.4Very high76 Ų7687.9 Ų87.933%0.3343%0.432SS..BIsolated β-bridgetrans-100.8171.8169.5-61.1-56.1-177.7179.20110.7Y188 V189 S190Y188-K247 PolarHBondContact O-N 2.84Å; V189-K247 CarbonylContact C-O 3.54Å; V189-K247 WeakPolarHBondContact CA-O 3.47Å; V189-K247 HydrophobicContact CG1-CB 4.34Å; S190-K247 PolarHBondContact N-O 3.3Å; S190-K247 PolarHBondContact OG-O 3.02Å
248A98.3Very high97.4Very high1 Ų183.9 Ų83.91%0.00842%0.417CS..SBendtrans-72.6-47.3-18000000111.8S190 G191 H232 F254S190-A248 PolarHBondContact N-O 3.37Å; G191-A248 PolarHBondContact N-O 3.46Å; H232-A248 HydrophobicContact CB-CB 3.64Å; A248-F254 WeakPolarHBondContact CA-O 3.24Å; A248-F254 VanDerWaalsContact CB-O 3.26Å; A248-F254 WeakPolarHBondContact CB-O 3.38Å; A248-F254 PolarHBondContact N-O 3.48Å; A248-F254 PolarHBondContact N-OXT 3.12Å
249L98.4Very high97.5Very high11 Ų1181.9 Ų81.96%0.05841%0.407CS..SBendtrans-143.5-51.8-167.7-174.672.7000114.6V189 F194 L195 I198 A228 F254V189-L249 WeakPolarHBondContact CG1-O 3.31Å; F194-L249 HydrophobicContact CB-CD1 3.91Å; L195-L249 HydrophobicContact CB-CD1 4.12Å; I198-L249 HydrophobicContact CD1-CD1 4.09Å; I198-L249 HydrophobicContact CD1-CD2 3.79Å; I198-L249 HydrophobicContact CD1-CG 4.46Å; A228-L249 HydrophobicContact CB-CB 3.92Å; A228-L249 HydrophobicContact CB-CD1 3.73Å; A228-L249 HydrophobicContact CB-CG 4.32Å; L249-F254 WeakPolarHBondContact CA-OXT 3.3Å; L249-F254 HydrophobicContact CB-CD1 4.17Å; L249-F254 PolarHBondContact N-OXT 3.13Å
250I98.1Very high97.5Very high73 Ų7383.9 Ų83.937%0.37442%0.419SS..SBendtrans-97.8116.5-177.1-54.2177.7000108F252 I253 F254I250-F252 PolarHBondContact O-N 3.16Å; I250-I253 HydrophobicContact CB-CB 4.13Å; I250-I253 HydrophobicContact CG2-CB 3.84Å; I250-I253 HydrophobicContact CG2-CD1 3.83Å; I250-I253 HydrophobicContact CG2-CG1 4.17Å; I250-I253 PolarHBondContact O-N 2.75Å; I250-F254 HydrophobicContact CB-CB 4.4Å; I250-F254 HydrophobicContact CD1-CB 4.5Å; I250-F254 PolarHBondContact N-OXT 3.15Å; I250-F254 PolarHBondContact O-N 3.5Å; I250-F254 VanDerWaalsContact O-N 3.13Å
251P97.6Very high97.6Very high38 Ų3876.6 Ų76.625%0.24739%0.387CS..THydrogen-bonded Turntrans-50.8131.6-178.7-27.435.1000111.5V189 L195 I253V189-P251 HydrophobicContact CG1-CB 4.3Å; V189-P251 HydrophobicContact CG1-CG 3.85Å; L195-P251 HydrophobicContact CD2-CG 4.11Å; P251-I253 PolarHBondContact O-N 2.85Å
252F97.8Very high97.7Very high159 Ų15971.5 Ų71.570%0.69736%0.358SS*.THydrogen-bonded Turntrans65.3-3.2178.1-40.1-70.5000116.4Y188 I250Y188-F252 AromaticContact CD1-CE1 3.94Å; Y188-F252 HydrophobicContact CD1-CE1 3.94Å; Y188-F252 AromaticContact CD1-CZ 3.59Å; Y188-F252 HydrophobicContact CD1-CZ 3.59Å; Y188-F252 HydrophobicContact CE1-CE1 4.37Å; Y188-F252 AromaticContact CE1-CZ 3.86Å; Y188-F252 HydrophobicContact CE1-CZ 3.86Å; Y188-F252 HydrophobicContact CG-CZ 4.47Å; I250-F252 PolarHBondContact O-N 3.16Å
253I98.3Very high97.7Very high129 Ų12976.9 Ų76.966%0.66239%0.386SS*.THydrogen-bonded Turntrans-115.9-69.5-175.7-59.7175.6000111.3I250 P251I250-I253 HydrophobicContact CB-CB 4.13Å; I250-I253 HydrophobicContact CG2-CB 3.84Å; I250-I253 HydrophobicContact CG2-CD1 3.83Å; I250-I253 HydrophobicContact CG2-CG1 4.17Å; I250-I253 PolarHBondContact O-N 2.75Å; P251-I253 PolarHBondContact O-N 2.85Å
254F95.6Very high97.7Very high97 Ų9779.6 Ų79.643%0.42539%0.393SS..  trans-132.70-169.2173-109.7000111.6F229 A248 L249 I250F229-F254 HydrophobicContact CB-CZ 3.98Å; F229-F254 HydrophobicContact CD2-CE2 4.13Å; F229-F254 HydrophobicContact CD2-CZ 4.02Å; F229-F254 HydrophobicContact CG-CZ 4.34Å; A248-F254 WeakPolarHBondContact CA-O 3.24Å; A248-F254 VanDerWaalsContact CB-O 3.26Å; A248-F254 WeakPolarHBondContact CB-O 3.38Å; A248-F254 PolarHBondContact N-O 3.48Å; A248-F254 PolarHBondContact N-OXT 3.12Å; L249-F254 WeakPolarHBondContact CA-OXT 3.3Å; L249-F254 HydrophobicContact CB-CD1 4.17Å; L249-F254 PolarHBondContact N-OXT 3.13Å; I250-F254 HydrophobicContact CB-CB 4.4Å; I250-F254 HydrophobicContact CD1-CB 4.5Å; I250-F254 PolarHBondContact N-OXT 3.15Å; I250-F254 PolarHBondContact O-N 3.5Å; I250-F254 VanDerWaalsContact O-N 3.13Å

Retrieved 254 of 254 residues in 184.6 ms (Link to these results)

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