A0A0D9RD91_CHLSB Loading...

COP9 signalosome subunit 7A

Component of the COP9 signalosome complex (CSN), a complex involved in various cellular and developmental processes. The CSN complex is an essential regulator of the ubiquitin (Ubl) conjugation pathway by mediating the deneddylation of the cullin subunits of SCF-type E3 ligase complexes, leading to decrease the Ubl ligase activity of SCF-type complexes such as SCF, CSA or DDB2. The complex is also involved in phosphorylation of p53/TP53, JUN, I-kappa-B-alpha/NFKBIA, ITPK1 and IRF8/ICSBP, possibly via its association with CK2 and PKD kinases. CSN-dependent phosphorylation of TP53 and JUN promotes and protects degradation by the Ubl system, respectively.

AlphaFold DB , UniProt , Accession A0A0D9RD91, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene COPS7A, Length 275 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
1M40.6Very low49.9Very low204 Ų20498.8 Ų98.8100%1.00555%0.552SS**  0-43.90-66.5-166177.900113.4A3M1-A3 PolarHBondContact O-N 3.47Å
2S33.6Very low52.2Low104 Ų10495.1 Ų95.173%0.72753%0.527SS*.THydrogen-bonded Turntrans-80.6-8.7179.3-46.50000116.4
3A36.6Very low54.5Low70 Ų7097.9 Ų97.958%0.57953%0.534SS*.THydrogen-bonded Turntrans-90.9-32.3-177.100000113.4M1 K6M1-A3 PolarHBondContact O-N 3.47Å; A3-K6 WeakPolarHBondContact O-CB 3.4Å
4E40.9Very low56.9Low127 Ų12798.6 Ų98.659%0.59353%0.532SS*.Hα-helixtrans-85.4-36.5-175.1-78.6159.4145.900113.2K6 V7 T8E4-K6 PolarHBondContact O-N 3.15Å; E4-V7 PolarHBondContact O-N 2.79Å; E4-T8 PolarHBondContact O-N 2.91Å; E4-T8 PolarHBondContact O-OG1 3.35Å
5V42.2Very low59Low109 Ų10994.1 Ų94.166%0.66151%0.505SS*.Hα-helixtrans-57.5-31.7169.9179.80000110.8T8 G9V5-T8 PolarHBondContact O-OG1 2.9Å; V5-T8 VanDerWaalsContact O-OG1 3.06Å; V5-G9 PolarHBondContact O-N 2.88Å
6K41Very low60.8Low153 Ų15390.5 Ų90.567%0.66549%0.486SS*.Hα-helixtrans-66.8-37.5173.4-82.8-177.6173.1-172.90112.8A3 E4 G9 Q10A3-K6 WeakPolarHBondContact O-CB 3.4Å; E4-K6 PolarHBondContact O-N 3.15Å; K6-G9 PolarHBondContact O-N 2.77Å; K6-Q10 VanDerWaalsContact O-CB 3.25Å; K6-Q10 WeakPolarHBondContact O-CB 3.37Å; K6-Q10 PolarHBondContact O-N 3.35Å
7V48.7Very low62.5Low84 Ų8492 Ų9251%0.50949%0.493SS..Hα-helixtrans-69.9-40.7-176.9178.40000111.4E4 Q10 N11E4-V7 PolarHBondContact O-N 2.79Å; V7-Q10 PolarHBondContact O-N 3.33Å; V7-N11 PolarHBondContact O-N 3.47Å; V7-N11 VanDerWaalsContact O-N 3.15Å
8T55Low64Low52 Ų5291.4 Ų91.432%0.31949%0.489SS..Hα-helixtrans-64.2-42.2175.1350000112.6E4 V5 Q12 G39E4-T8 PolarHBondContact O-N 2.91Å; E4-T8 PolarHBondContact O-OG1 3.35Å; V5-T8 PolarHBondContact O-OG1 2.9Å; V5-T8 VanDerWaalsContact O-OG1 3.06Å; T8-Q12 WeakPolarHBondContact O-CG 3.36Å; T8-Q12 PolarHBondContact O-N 3.34Å; T8-G39 VanDerWaalsContact CG2-O 3.25Å; T8-G39 WeakPolarHBondContact CG2-O 3.47Å
9G61.5Low65.3Low22 Ų2286.6 Ų86.623%0.22746%0.464CS..Hα-helixtrans-66.4-38.9173.900000112.8V5 K6 N11 Q12 E13V5-G9 PolarHBondContact O-N 2.88Å; K6-G9 PolarHBondContact O-N 2.77Å; G9-N11 PolarHBondContact O-N 3.48Å; G9-Q12 PolarHBondContact O-N 2.88Å; G9-E13 WeakPolarHBondContact O-CG 3.4Å; G9-E13 PolarHBondContact O-N 2.87Å
10Q71.9Confident66.5Low115 Ų11588.9 Ų88.954%0.53747%0.469SS..Hα-helixtrans-61.3-44180-164.471.638.200112.3K6 V7 Q12 E13 Q14K6-Q10 VanDerWaalsContact O-CB 3.25Å; K6-Q10 WeakPolarHBondContact O-CB 3.37Å; K6-Q10 PolarHBondContact O-N 3.35Å; V7-Q10 PolarHBondContact O-N 3.33Å; Q10-Q12 VanDerWaalsContact C-N 3.34Å; Q10-E13 PolarHBondContact O-N 3.11Å; Q10-Q14 WeakPolarHBondContact O-CB 3.33Å; Q10-Q14 PolarHBondContact O-N 3.39Å
11N76.6Confident67.5Low47 Ų4789.7 Ų89.725%0.25148%0.482SS..Hα-helixtrans-65.7-40.7178-71.1-19.3000110.9V7 G9 Q14 F15 V40V7-N11 PolarHBondContact O-N 3.47Å; V7-N11 VanDerWaalsContact O-N 3.15Å; G9-N11 PolarHBondContact O-N 3.48Å; N11-Q14 PolarHBondContact O-N 2.89Å; N11-F15 HydrophobicContact CB-CD2 4.47Å; N11-F15 HydrophobicContact CB-CE2 4.29Å; N11-F15 WeakPolarHBondContact O-CD2 3.48Å; N11-F15 WeakPolarHBondContact O-CG 3.36Å; N11-F15 PolarHBondContact O-N 3.48Å; N11-V40 HydrophobicContact CB-CG2 4.03Å
12Q77.3Confident69.8Low54 Ų5480.7 Ų80.725%0.25244%0.44SS..Hα-helixtrans-61.8-49.1176.3-74.9-180-41.400111.8T8 G9 Q10 Q14 F15 L16 V40 V42T8-Q12 WeakPolarHBondContact O-CG 3.36Å; T8-Q12 PolarHBondContact O-N 3.34Å; G9-Q12 PolarHBondContact O-N 2.88Å; Q10-Q12 VanDerWaalsContact C-N 3.34Å; Q12-Q14 VanDerWaalsContact C-N 3.31Å; Q12-Q14 PolarHBondContact O-N 3.15Å; Q12-F15 PolarHBondContact O-N 2.84Å; Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 PolarHBondContact O-N 3.39Å; Q12-V40 HydrophobicContact CG-CG1 4.06Å; Q12-V40 HydrophobicContact CG-CG2 4.49Å; Q12-V42 PolarHBondContact NE2-O 2.96Å; Q12-V42 VanDerWaalsContact NE2-O 3.09Å
13E83.2Confident72.3Confident132 Ų13283 Ų8362%0.61744%0.437SS*.Hα-helixtrans-58.5-42.2177.6-72.6178.5-170.800112.2G9 Q10 L16 L17G9-E13 WeakPolarHBondContact O-CG 3.4Å; G9-E13 PolarHBondContact O-N 2.87Å; Q10-E13 PolarHBondContact O-N 3.11Å; E13-L16 PolarHBondContact O-N 3.25Å; E13-L17 WeakPolarHBondContact O-CB 3.34Å; E13-L17 PolarHBondContact O-N 3.01Å
14Q87.9Confident74.7Confident108 Ų10881 Ų8151%0.50542%0.423SS..Hα-helixtrans-62.4-48.1177.1-178.5178.5-14.300111.6Q10 N11 Q12 L16 L17 L18Q10-Q14 WeakPolarHBondContact O-CB 3.33Å; Q10-Q14 PolarHBondContact O-N 3.39Å; N11-Q14 PolarHBondContact O-N 2.89Å; Q12-Q14 VanDerWaalsContact C-N 3.31Å; Q12-Q14 PolarHBondContact O-N 3.15Å; Q14-L16 VanDerWaalsContact C-N 3.32Å; Q14-L16 PolarHBondContact O-N 2.85Å; Q14-L17 PolarHBondContact O-N 2.89Å; Q14-L18 HydrophobicContact CG-CD1 4.42Å; Q14-L18 WeakPolarHBondContact O-CG 3.31Å; Q14-L18 PolarHBondContact O-N 2.95Å; Q14-L18 VanDerWaalsContact O-N 3.07Å
15F88.5Confident76.9Confident30 Ų3077.8 Ų77.813%0.13242%0.418CS..Hα-helixtrans-67.1-34.4177.8-70.2-56.9000112.3N11 Q12 L18 A19 L30 V34 A37 V40N11-F15 HydrophobicContact CB-CD2 4.47Å; N11-F15 HydrophobicContact CB-CE2 4.29Å; N11-F15 WeakPolarHBondContact O-CD2 3.48Å; N11-F15 WeakPolarHBondContact O-CG 3.36Å; N11-F15 PolarHBondContact O-N 3.48Å; Q12-F15 PolarHBondContact O-N 2.84Å; F15-L18 HydrophobicContact CD1-CD1 4.35Å; F15-L18 PolarHBondContact O-N 3.44Å; F15-A19 WeakPolarHBondContact O-CB 3.41Å; F15-A19 PolarHBondContact O-N 2.96Å; F15-L30 HydrophobicContact CD1-CD1 3.87Å; F15-L30 HydrophobicContact CE1-CD1 4.39Å; F15-V34 HydrophobicContact CB-CG2 3.72Å; F15-V34 HydrophobicContact CD1-CG2 3.57Å; F15-V34 HydrophobicContact CD2-CG2 3.87Å; F15-V34 HydrophobicContact CE1-CG2 4.09Å; F15-V34 HydrophobicContact CE2-CG2 4.37Å; F15-V34 HydrophobicContact CG-CG2 3.46Å; F15-V34 VanDerWaalsContact CG-CG2 3.46Å; F15-V34 HydrophobicContact CZ-CG2 4.47Å; F15-A37 HydrophobicContact CE2-CB 3.85Å; F15-A37 HydrophobicContact CZ-CB 4.07Å; F15-V40 HydrophobicContact CE2-CG2 4.38Å
16L87.4Confident79.2Confident37 Ų3775 Ų7519%0.19441%0.406CS..Hα-helixtrans-64-42.7175.4-131.372.1000111.2Q12 E13 Q14 A19 K20 E45 L46 M49Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 PolarHBondContact O-N 3.39Å; E13-L16 PolarHBondContact O-N 3.25Å; Q14-L16 VanDerWaalsContact C-N 3.32Å; Q14-L16 PolarHBondContact O-N 2.85Å; L16-A19 PolarHBondContact O-N 3.27Å; L16-K20 WeakPolarHBondContact O-CG 3.27Å; L16-K20 PolarHBondContact O-N 3.37Å; L16-K20 VanDerWaalsContact O-N 3.11Å; L16-E45 HydrophobicContact CD1-CB 3.94Å; L16-E45 HydrophobicContact CD2-CB 4.43Å; L16-L46 HydrophobicContact CD1-CD1 4.46Å; L16-M49 HydrophobicContact CB-CE 4.35Å; L16-M49 HydrophobicContact CD1-CE 3.54Å; L16-M49 HydrophobicContact CG-CE 3.57Å; L16-M49 HydrophobicContact CG-SD 4.22Å
17L89.2Confident81.6Confident116 Ų11667.8 Ų67.861%0.60738%0.375SS*.Hα-helixtrans-63.4-42.7176.6-17664.4000111.8E13 Q14 K20E13-L17 WeakPolarHBondContact O-CB 3.34Å; E13-L17 PolarHBondContact O-N 3.01Å; Q14-L17 PolarHBondContact O-N 2.89Å; L17-K20 PolarHBondContact O-N 2.9Å
18L89.6Confident83.6Confident82 Ų8264.1 Ų64.143%0.42935%0.354SS..Hα-helixtrans-64.1-41.9176.2-69.6171.5000111.6Q14 F15 K20 S21 A22 L30Q14-L18 HydrophobicContact CG-CD1 4.42Å; Q14-L18 WeakPolarHBondContact O-CG 3.31Å; Q14-L18 PolarHBondContact O-N 2.95Å; Q14-L18 VanDerWaalsContact O-N 3.07Å; F15-L18 HydrophobicContact CD1-CD1 4.35Å; F15-L18 PolarHBondContact O-N 3.44Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.09Å; L18-S21 PolarHBondContact O-N 3.37Å; L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.49Å; L18-A22 PolarHBondContact O-N 3.24Å; L18-L30 HydrophobicContact CB-CD1 4.15Å; L18-L30 HydrophobicContact CB-CD2 3.93Å; L18-L30 HydrophobicContact CD1-CD1 4.16Å
19A89.1Confident85.4Confident0 Ų065.6 Ų65.60%036%0.363CS..Hα-helixtrans-67-28.9179.800000113.2F15 L16 S21 L27 L30 L46 M49 N51F15-A19 WeakPolarHBondContact O-CB 3.41Å; F15-A19 PolarHBondContact O-N 2.96Å; L16-A19 PolarHBondContact O-N 3.27Å; A19-S21 VanDerWaalsContact C-N 3.29Å; A19-S21 PolarHBondContact O-N 3.41Å; A19-L27 HydrophobicContact CB-CD2 3.98Å; A19-L30 HydrophobicContact CB-CD2 3.67Å; A19-L46 HydrophobicContact CB-CD1 3.68Å; A19-M49 HydrophobicContact CB-CE 3.35Å; A19-M49 HydrophobicContact CB-SD 4.45Å; A19-N51 PolarHBondContact O-ND2 2.85Å
20K88.4Confident86.9Confident131 Ų13165 Ų6557%0.5736%0.355SS*.Hα-helixtrans-63.1-35.8172.5-73.9175.2-177.6178.80112.7L16 L17 L18 M49 N51L16-K20 WeakPolarHBondContact O-CG 3.27Å; L16-K20 PolarHBondContact O-N 3.37Å; L16-K20 VanDerWaalsContact O-N 3.11Å; L17-K20 PolarHBondContact O-N 2.9Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.09Å; K20-M49 HydrophobicContact CG-SD 3.89Å; K20-N51 PolarHBondContact O-ND2 3.38Å
21S88.3Confident87.8Confident106 Ų10659.7 Ų59.774%0.74133%0.33SS*.Hα-helixtrans-94.6-16.9-176.3-58.90000113.4L18 A19L18-S21 PolarHBondContact O-N 3.37Å; A19-S21 VanDerWaalsContact C-N 3.29Å; A19-S21 PolarHBondContact O-N 3.41Å
22A89.5Confident88.6Confident15 Ų1560 Ų6012%0.12433%0.33CS..  trans-86.2151.518000000112L18 A26 L27 N51L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.49Å; L18-A22 PolarHBondContact O-N 3.24Å; A22-A26 HydrophobicContact CB-CB 4.13Å; A22-L27 HydrophobicContact CB-CD2 3.64Å; A22-L27 HydrophobicContact CB-CG 3.74Å; A22-L27 WeakPolarHBondContact O-CD1 3.33Å; A22-L27 WeakPolarHBondContact O-CG 3.49Å; A22-N51 PolarHBondContact O-ND2 2.91Å
23K85.9Confident89.3Confident153 Ų15362.8 Ų62.867%0.66534%0.343SS*.  trans-140.4152.5175-64.3-166.5177.9-1660111.4A25 A26K23-A25 PolarHBondContact O-N 3.31Å; K23-A26 PolarHBondContact O-N 3.06Å; K23-A26 VanDerWaalsContact O-N 3.16Å
24G86.3Confident89.7Confident28 Ų2856.7 Ų56.729%0.28931%0.314SS..THydrogen-bonded Turntrans51.4-122.4172.200000113.6A26 L27 A28G24-A26 VanDerWaalsContact C-N 3.26Å; G24-A26 PolarHBondContact O-N 3.47Å; G24-L27 WeakPolarHBondContact O-CB 3.45Å; G24-L27 PolarHBondContact O-N 3.16Å; G24-A28 PolarHBondContact O-N 2.89Å; G24-A28 VanDerWaalsContact O-N 3.08Å
25A88.4Confident89.9Confident59 Ų5951.5 Ų51.549%0.48829%0.29SS..Hα-helixtrans-56.3-36.1-178.100000113.8K23 L27 A28 T29 F60K23-A25 PolarHBondContact O-N 3.31Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.44Å; A25-A28 PolarHBondContact O-N 2.99Å; A25-T29 PolarHBondContact O-N 3.24Å; A25-T29 PolarHBondContact O-OG1 3.42Å; A25-F60 HydrophobicContact CB-CE1 4.45Å; A25-F60 HydrophobicContact CB-CE2 4.41Å; A25-F60 HydrophobicContact CB-CZ 3.82Å
26A90.5Very high90Very high50 Ų5054.6 Ų54.641%0.41331%0.305SS..Hα-helixtrans-65.9-36.5178.500000111.9A22 K23 G24 T29 L30A22-A26 HydrophobicContact CB-CB 4.13Å; K23-A26 PolarHBondContact O-N 3.06Å; K23-A26 VanDerWaalsContact O-N 3.16Å; G24-A26 VanDerWaalsContact C-N 3.26Å; G24-A26 PolarHBondContact O-N 3.47Å; A26-T29 WeakPolarHBondContact CA-OG1 3.48Å; A26-T29 PolarHBondContact O-OG1 3.41Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 2.97Å
27L91.4Very high90.1Very high2 Ų253.5 Ų53.51%0.0130%0.301CS..Hα-helixtrans-69.6-40.3173-75.4167.1000111.7A19 A22 G24 A25 T29 L30 I31 N51 V52 L55A19-L27 HydrophobicContact CB-CD2 3.98Å; A22-L27 HydrophobicContact CB-CD2 3.64Å; A22-L27 HydrophobicContact CB-CG 3.74Å; A22-L27 WeakPolarHBondContact O-CD1 3.33Å; A22-L27 WeakPolarHBondContact O-CG 3.49Å; G24-L27 WeakPolarHBondContact O-CB 3.45Å; G24-L27 PolarHBondContact O-N 3.16Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.44Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 3Å; L27-L30 HydrophobicContact CD2-CD2 4.36Å; L27-L30 WeakPolarHBondContact O-CB 3.42Å; L27-L30 PolarHBondContact O-N 2.88Å; L27-L30 VanDerWaalsContact O-N 3.1Å; L27-I31 WeakPolarHBondContact O-CG1 3.49Å; L27-I31 PolarHBondContact O-N 3.35Å; L27-N51 HydrophobicContact CD1-CB 3.74Å; L27-N51 WeakPolarHBondContact CD1-O 3.44Å; L27-V52 HydrophobicContact CD2-CG2 4.41Å; L27-L55 HydrophobicContact CB-CD1 3.79Å; L27-L55 HydrophobicContact CD1-CD1 4.26Å; L27-L55 HydrophobicContact CD1-CD2 4.48Å; L27-L55 HydrophobicContact CD1-CG 4.45Å
28A90.6Very high90Very high8 Ų853.1 Ų53.17%0.06631%0.306CS..Hα-helixtrans-59-43.8177.200000111.1G24 A25 I31 H32 F60 T63G24-A28 PolarHBondContact O-N 2.89Å; G24-A28 VanDerWaalsContact O-N 3.08Å; A25-A28 PolarHBondContact O-N 2.99Å; A28-I31 PolarHBondContact O-N 2.94Å; A28-H32 PolarHBondContact O-CD2 3.39Å; A28-H32 VanDerWaalsContact O-CD2 3.29Å; A28-H32 PolarHBondContact O-N 3.34Å; A28-F60 HydrophobicContact CB-CB 4.46Å; A28-F60 HydrophobicContact CB-CD1 3.66Å; A28-F60 HydrophobicContact CB-CE1 4.12Å; A28-F60 HydrophobicContact CB-CG 4.11Å; A28-T63 HydrophobicContact CB-CG2 4.31Å
29T91.3Very high89.8Confident83 Ų8350.4 Ų50.451%0.50930%0.298SS..Hα-helixtrans-65.3-38.3173.752.30000112.8A25 A26 L27 I31 H32 Q33A25-T29 PolarHBondContact O-N 3.24Å; A25-T29 PolarHBondContact O-OG1 3.42Å; A26-T29 WeakPolarHBondContact CA-OG1 3.48Å; A26-T29 PolarHBondContact O-OG1 3.41Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 3Å; T29-I31 VanDerWaalsContact C-N 3.34Å; T29-I31 PolarHBondContact O-N 2.93Å; T29-H32 PolarHBondContact O-N 2.95Å; T29-Q33 WeakPolarHBondContact O-CG 3.26Å; T29-Q33 PolarHBondContact O-N 3.37Å; T29-Q33 VanDerWaalsContact O-N 3.12Å
30L93Very high89.8Confident10 Ų1050.5 Ų50.55%0.05230%0.298CS..Hα-helixtrans-64.5-39.4178-172.866.1000111.5F15 L18 A19 A26 L27 H32 Q33 V34F15-L30 HydrophobicContact CD1-CD1 3.87Å; F15-L30 HydrophobicContact CE1-CD1 4.39Å; L18-L30 HydrophobicContact CB-CD1 4.15Å; L18-L30 HydrophobicContact CB-CD2 3.93Å; L18-L30 HydrophobicContact CD1-CD1 4.16Å; A19-L30 HydrophobicContact CB-CD2 3.67Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 2.97Å; L27-L30 HydrophobicContact CD2-CD2 4.36Å; L27-L30 WeakPolarHBondContact O-CB 3.42Å; L27-L30 PolarHBondContact O-N 2.88Å; L27-L30 VanDerWaalsContact O-N 3.1Å; L30-H32 VanDerWaalsContact C-N 3.35Å; L30-H32 PolarHBondContact O-N 3.04Å; L30-Q33 WeakPolarHBondContact O-CB 3.49Å; L30-Q33 PolarHBondContact O-N 2.88Å; L30-V34 HydrophobicContact CG-CG2 4.43Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.49Å
31I92.6Very high89.9Confident3 Ų345.3 Ų45.32%0.01528%0.275CS..Hα-helixtrans-58.3-48.9175.3-70.6167000109.7L27 A28 T29 Q33 V34 L35 L55 T63 L67L27-I31 WeakPolarHBondContact O-CG1 3.49Å; L27-I31 PolarHBondContact O-N 3.35Å; A28-I31 PolarHBondContact O-N 2.94Å; T29-I31 VanDerWaalsContact C-N 3.34Å; T29-I31 PolarHBondContact O-N 2.93Å; I31-Q33 VanDerWaalsContact C-N 3.29Å; I31-Q33 PolarHBondContact O-N 2.72Å; I31-V34 PolarHBondContact O-N 3.21Å; I31-V34 VanDerWaalsContact O-N 3.17Å; I31-L35 HydrophobicContact CG2-CD1 3.88Å; I31-L35 HydrophobicContact CG2-CG 4.1Å; I31-L35 WeakPolarHBondContact O-CB 3.41Å; I31-L35 VanDerWaalsContact O-CG 3.23Å; I31-L35 WeakPolarHBondContact O-CG 3.39Å; I31-L35 PolarHBondContact O-N 3.15Å; I31-L55 HydrophobicContact CD1-CD1 3.85Å; I31-T63 HydrophobicContact CB-CG2 3.88Å; I31-T63 HydrophobicContact CD1-CG2 3.85Å; I31-T63 HydrophobicContact CG1-CG2 4.47Å; I31-T63 HydrophobicContact CG2-CG2 3.75Å; I31-L67 HydrophobicContact CD1-CD2 4.3Å; I31-L67 HydrophobicContact CG1-CD2 4.33Å; I31-L67 HydrophobicContact CG2-CB 4.2Å; I31-L67 HydrophobicContact CG2-CD1 4.34Å
32H91.6Very high90Very high54 Ų5443 Ų4325%0.2526%0.257CS..Hα-helixtrans-59-39.4177.3-78.1-74000113A28 T29 L30 L35 E36 Q92A28-H32 PolarHBondContact O-CD2 3.39Å; A28-H32 VanDerWaalsContact O-CD2 3.29Å; A28-H32 PolarHBondContact O-N 3.34Å; T29-H32 PolarHBondContact O-N 2.95Å; L30-H32 VanDerWaalsContact C-N 3.35Å; L30-H32 PolarHBondContact O-N 3.04Å; H32-L35 PolarHBondContact O-N 3.45Å; H32-E36 PolarHBondContact O-N 3.4Å; H32-E36 VanDerWaalsContact O-N 3.08Å; H32-Q92 PolarHBondContact O-NE2 3.22Å; H32-Q92 VanDerWaalsContact O-NE2 3.11Å
33Q91.9Very high90.1Very high111 Ų11142.4 Ų42.452%0.51925%0.251SS..Hα-helixtrans-63.7-44.6175.2-69.6177.4-800112.2T29 L30 I31 E36 A37T29-Q33 WeakPolarHBondContact O-CG 3.26Å; T29-Q33 PolarHBondContact O-N 3.37Å; T29-Q33 VanDerWaalsContact O-N 3.12Å; L30-Q33 WeakPolarHBondContact O-CB 3.49Å; L30-Q33 PolarHBondContact O-N 2.88Å; I31-Q33 VanDerWaalsContact C-N 3.29Å; I31-Q33 PolarHBondContact O-N 2.72Å; Q33-E36 PolarHBondContact O-N 3.31Å; Q33-A37 WeakPolarHBondContact O-CB 3.34Å; Q33-A37 PolarHBondContact O-N 3.28Å
34V92.1Very high90.3Very high4 Ų435.8 Ų35.82%0.02423%0.226CC..Hα-helixtrans-66.5-38.7178.7175.50000111.4F15 L30 I31 E36 A37 V40 F43 L46 K95F15-V34 HydrophobicContact CB-CG2 3.72Å; F15-V34 HydrophobicContact CD1-CG2 3.57Å; F15-V34 HydrophobicContact CD2-CG2 3.87Å; F15-V34 HydrophobicContact CE1-CG2 4.09Å; F15-V34 HydrophobicContact CE2-CG2 4.37Å; F15-V34 HydrophobicContact CG-CG2 3.46Å; F15-V34 VanDerWaalsContact CG-CG2 3.46Å; F15-V34 HydrophobicContact CZ-CG2 4.47Å; L30-V34 HydrophobicContact CG-CG2 4.43Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.49Å; I31-V34 PolarHBondContact O-N 3.21Å; I31-V34 VanDerWaalsContact O-N 3.17Å; V34-E36 VanDerWaalsContact C-N 3.28Å; V34-E36 PolarHBondContact O-N 3.28Å; V34-A37 PolarHBondContact O-N 3.37Å; V34-V40 HydrophobicContact CG1-CG1 3.97Å; V34-F43 HydrophobicContact CG1-CD1 3.99Å; V34-F43 HydrophobicContact CG1-CE1 3.88Å; V34-L46 HydrophobicContact CB-CD2 4.33Å; V34-L46 HydrophobicContact CG1-CD2 4.03Å; V34-L46 HydrophobicContact CG2-CD2 4.33Å; V34-K95 PolarHBondContact O-NZ 2.93Å
35L92.2Very high90.4Very high0 Ų040.2 Ų40.20%024%0.239CC..Hα-helixtrans-64.8-33.5176.1-67.7-176.9000111.7I31 H32 F43 L66 L67 F70 Q92 K95I31-L35 HydrophobicContact CG2-CD1 3.88Å; I31-L35 HydrophobicContact CG2-CG 4.1Å; I31-L35 WeakPolarHBondContact O-CB 3.41Å; I31-L35 VanDerWaalsContact O-CG 3.23Å; I31-L35 WeakPolarHBondContact O-CG 3.39Å; I31-L35 PolarHBondContact O-N 3.15Å; H32-L35 PolarHBondContact O-N 3.45Å; L35-F43 HydrophobicContact CD2-CD1 4.29Å; L35-F43 HydrophobicContact CD2-CE1 3.82Å; L35-F43 HydrophobicContact CD2-CZ 3.97Å; L35-L66 HydrophobicContact CD1-CD2 3.81Å; L35-L66 HydrophobicContact CD1-CG 3.96Å; L35-L67 HydrophobicContact CD2-CD1 3.99Å; L35-F70 HydrophobicContact CD1-CD2 4.05Å; L35-F70 HydrophobicContact CD1-CE2 4.04Å; L35-F70 HydrophobicContact CD2-CB 3.75Å; L35-F70 HydrophobicContact CD2-CD1 3.68Å; L35-F70 HydrophobicContact CD2-CD2 3.81Å; L35-F70 HydrophobicContact CD2-CE1 4.16Å; L35-F70 HydrophobicContact CD2-CE2 4.29Å; L35-F70 HydrophobicContact CD2-CG 3.46Å; L35-F70 VanDerWaalsContact CD2-CG 3.46Å; L35-F70 HydrophobicContact CD2-CZ 4.44Å; L35-Q92 HydrophobicContact CB-CG 4.26Å; L35-K95 WeakPolarHBondContact O-CD 3.47Å; L35-K95 WeakPolarHBondContact O-CE 3.27Å; L35-K95 PolarHBondContact O-NZ 3.48Å
36E91.8Very high90.4Very high94 Ų9437.9 Ų37.944%0.43922%0.219SC..Hα-helixtrans-87.4-17.3177.8-165155.4-141.300113.7H32 Q33 V34 T89 A91 Q92H32-E36 PolarHBondContact O-N 3.4Å; H32-E36 VanDerWaalsContact O-N 3.08Å; Q33-E36 PolarHBondContact O-N 3.31Å; V34-E36 VanDerWaalsContact C-N 3.28Å; V34-E36 PolarHBondContact O-N 3.28Å; E36-T89 PolarHBondContact OE1-OG1 3.26Å; E36-A91 HydrophobicContact CG-CB 4.26Å; E36-Q92 HydrophobicContact CB-CG 4.07Å; E36-Q92 HydrophobicContact CG-CG 4.48Å
37A89.6Confident90.5Very high14 Ų1436.1 Ų36.112%0.11620%0.202CC..SBendtrans-63126.9-178.600000112F15 Q33 V34 V40 K95F15-A37 HydrophobicContact CE2-CB 3.85Å; F15-A37 HydrophobicContact CZ-CB 4.07Å; Q33-A37 WeakPolarHBondContact O-CB 3.34Å; Q33-A37 PolarHBondContact O-N 3.28Å; V34-A37 PolarHBondContact O-N 3.37Å; A37-V40 HydrophobicContact CB-CB 4.48Å; A37-V40 HydrophobicContact CB-CG2 4.12Å; A37-K95 PolarHBondContact O-NZ 3.45Å
38P86.4Confident90.4Very high108 Ų10839.2 Ų39.270%0.70122%0.219SC*.THydrogen-bonded Turntrans-68.2146.217528.8-34000110.9V40P38-V40 PolarHBondContact O-N 2.89Å
39G84.8Confident90.4Very high25 Ų2539.6 Ų39.626%0.25822%0.219SC..THydrogen-bonded Turntrans80.7-16.418000000115.4T8 Y41T8-G39 VanDerWaalsContact CG2-O 3.25Å; T8-G39 WeakPolarHBondContact CG2-O 3.47Å; G39-Y41 PolarHBondContact O-N 3.3Å
40V90.1Very high90.3Very high3 Ų339.8 Ų39.82%0.01822%0.222CC..  trans-9191.7178.3-174.50000110.6N11 Q12 F15 V34 A37 P38 F43 K95N11-V40 HydrophobicContact CB-CG2 4.03Å; Q12-V40 HydrophobicContact CG-CG1 4.06Å; Q12-V40 HydrophobicContact CG-CG2 4.49Å; F15-V40 HydrophobicContact CE2-CG2 4.38Å; V34-V40 HydrophobicContact CG1-CG1 3.97Å; A37-V40 HydrophobicContact CB-CB 4.48Å; A37-V40 HydrophobicContact CB-CG2 4.12Å; P38-V40 PolarHBondContact O-N 2.89Å; V40-F43 HydrophobicContact CG1-CD1 4.48Å; V40-F43 HydrophobicContact CG1-CE1 4.11Å; V40-F43 VanDerWaalsContact O-CZ 3.27Å; V40-F43 WeakPolarHBondContact O-CZ 3.31Å; V40-K95 WeakPolarHBondContact O-CE 3.47Å; V40-K95 PolarHBondContact O-NZ 2.93Å
41Y90.6Very high90.1Very high22 Ų2240.8 Ų40.89%0.08623%0.227CC..  trans-108.30.9-179.2-72.1-87.5000114.3G39 K95 H98 L99 A138 V140 I158G39-Y41 PolarHBondContact O-N 3.3Å; Y41-K95 HydrophobicContact CD1-CG 3.98Å; Y41-K95 HydrophobicContact CE1-CD 4.43Å; Y41-K95 HydrophobicContact CE1-CG 3.47Å; Y41-K95 VanDerWaalsContact CE1-CG 3.47Å; Y41-H98 HydrophobicContact CE1-CB 4.19Å; Y41-H98 PolarHBondContact OH-ND1 2.71Å; Y41-L99 HydrophobicContact CD1-CD2 3.74Å; Y41-L99 HydrophobicContact CD1-CG 4.03Å; Y41-L99 HydrophobicContact CG-CD2 4.42Å; Y41-A138 HydrophobicContact CE2-CB 4.32Å; Y41-V140 HydrophobicContact CD1-CG2 4.08Å; Y41-V140 HydrophobicContact CD2-CG2 3.69Å; Y41-V140 HydrophobicContact CE1-CG2 3.73Å; Y41-V140 HydrophobicContact CE2-CG2 3.31Å; Y41-V140 HydrophobicContact CG-CG2 4.05Å; Y41-I158 HydrophobicContact CG-CD1 4.1Å
42V90.3Very high90.1Very high57 Ų5740.7 Ų40.735%0.34523%0.227SC..  trans-120.2126.3179.8-178.60000108.1Q12 D161Q12-V42 PolarHBondContact NE2-O 2.96Å; Q12-V42 VanDerWaalsContact NE2-O 3.09Å; V42-D161 WeakPolarHBondContact CA-OD2 3.18Å; V42-D161 WeakPolarHBondContact CG1-OD1 3.34Å
43F91.9Very high90Very high3 Ų344.2 Ų44.21%0.01324%0.238CC..  trans-126.4-2.4-170.4-54.2-74.1000113.5V34 L35 V40 E45 L46 L47 L67 F70 A71 L99 D161V34-F43 HydrophobicContact CG1-CD1 3.99Å; V34-F43 HydrophobicContact CG1-CE1 3.88Å; L35-F43 HydrophobicContact CD2-CD1 4.29Å; L35-F43 HydrophobicContact CD2-CE1 3.82Å; L35-F43 HydrophobicContact CD2-CZ 3.97Å; V40-F43 HydrophobicContact CG1-CD1 4.48Å; V40-F43 HydrophobicContact CG1-CE1 4.11Å; V40-F43 VanDerWaalsContact O-CZ 3.27Å; V40-F43 WeakPolarHBondContact O-CZ 3.31Å; F43-E45 VanDerWaalsContact C-N 3.35Å; F43-E45 PolarHBondContact O-N 2.94Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 2.66Å; F43-L46 VanDerWaalsContact O-N 3.14Å; F43-L47 WeakPolarHBondContact O-CB 3.27Å; F43-L47 PolarHBondContact O-N 3.25Å; F43-L67 HydrophobicContact CB-CD1 3.99Å; F43-L67 HydrophobicContact CD1-CD1 4.08Å; F43-L67 HydrophobicContact CG-CD1 4.15Å; F43-F70 HydrophobicContact CD2-CB 3.97Å; F43-F70 HydrophobicContact CE2-CB 3.85Å; F43-F70 HydrophobicContact CE2-CD1 4.05Å; F43-F70 HydrophobicContact CE2-CG 4.44Å; F43-F70 HydrophobicContact CZ-CB 4.45Å; F43-F70 HydrophobicContact CZ-CD1 4.15Å; F43-A71 HydrophobicContact CB-CB 4.3Å; F43-L99 HydrophobicContact CE2-CD1 3.97Å; F43-D161 PolarHBondContact N-OD2 3.21Å
44G88.6Confident89.9Confident13 Ų1345 Ų4513%0.13424%0.242CC..Hα-helixtrans-60.1-41.7-174.900000113L46 L47 D48 D161G44-L46 VanDerWaalsContact C-N 3.35Å; G44-L46 PolarHBondContact O-N 2.98Å; G44-L47 PolarHBondContact O-N 2.96Å; G44-D48 WeakPolarHBondContact O-CB 3.36Å; G44-D48 PolarHBondContact O-N 3.46Å; G44-D161 WeakPolarHBondContact CA-OD1 3.12Å; G44-D161 PolarHBondContact N-OD1 2.96Å; G44-D161 PolarHBondContact N-OD2 3.03Å
45E88.1Confident89.7Confident122 Ų12245 Ų4557%0.5724%0.242SC*.Hα-helixtrans-63.6-40.5176.1-62.8-170.7171.600112.2L16 F43 L47 D48 M49L16-E45 HydrophobicContact CD1-CB 3.94Å; L16-E45 HydrophobicContact CD2-CB 4.43Å; F43-E45 VanDerWaalsContact C-N 3.35Å; F43-E45 PolarHBondContact O-N 2.94Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-D48 PolarHBondContact O-N 2.92Å; E45-M49 WeakPolarHBondContact O-CG 3.41Å; E45-M49 PolarHBondContact O-N 3.5Å
46L90.1Very high89.6Confident10 Ų1046.9 Ų46.95%0.05226%0.257CS..Hα-helixtrans-65.8-40.6176.6-170.573.1000110.7L16 A19 V34 F43 G44 M49 V52 L67L16-L46 HydrophobicContact CD1-CD1 4.46Å; A19-L46 HydrophobicContact CB-CD1 3.68Å; V34-L46 HydrophobicContact CB-CD2 4.33Å; V34-L46 HydrophobicContact CG1-CD2 4.03Å; V34-L46 HydrophobicContact CG2-CD2 4.33Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 2.66Å; F43-L46 VanDerWaalsContact O-N 3.14Å; G44-L46 VanDerWaalsContact C-N 3.35Å; G44-L46 PolarHBondContact O-N 2.98Å; L46-M49 HydrophobicContact CD1-CE 3.69Å; L46-M49 PolarHBondContact O-N 3.48Å; L46-V52 HydrophobicContact CG-CG2 4.49Å; L46-V52 WeakPolarHBondContact O-CB 3.33Å; L46-V52 VanDerWaalsContact O-CG2 3.32Å; L46-V52 WeakPolarHBondContact O-CG2 3.25Å; L46-L67 HydrophobicContact CD2-CD1 4.17Å; L46-L67 HydrophobicContact CD2-CD2 4.03Å; L46-L67 HydrophobicContact CG-CD2 4.26Å
47L91Very high89.3Confident13 Ų1351.5 Ų51.57%0.06828%0.278CS..Hα-helixtrans-72-30-179.4-16969.4000113.1F43 G44 E45 M49 F64 L67 A71 Y72F43-L47 WeakPolarHBondContact O-CB 3.27Å; F43-L47 PolarHBondContact O-N 3.25Å; G44-L47 PolarHBondContact O-N 2.96Å; E45-L47 VanDerWaalsContact C-N 3.34Å; L47-M49 VanDerWaalsContact C-N 3.27Å; L47-M49 PolarHBondContact O-N 3.39Å; L47-F64 HydrophobicContact CD1-CD2 4.18Å; L47-F64 HydrophobicContact CD1-CE2 3.57Å; L47-F64 HydrophobicContact CD1-CZ 3.87Å; L47-L67 HydrophobicContact CB-CD2 4.37Å; L47-L67 HydrophobicContact CD1-CB 4.35Å; L47-L67 HydrophobicContact CD1-CD2 3.83Å; L47-L67 HydrophobicContact CD1-CG 3.96Å; L47-A71 HydrophobicContact CD2-CB 3.96Å; L47-Y72 HydrophobicContact CD2-CD2 4.16Å; L47-Y72 HydrophobicContact CD2-CE2 3.42Å; L47-Y72 VanDerWaalsContact CD2-CE2 3.42Å
48D90.2Very high89.2Confident66 Ų6653.3 Ų53.335%0.35329%0.29SS..Hα-helixtrans-78.6-9.7178-154.214.7000112.5G44 E45 R53 R164G44-D48 WeakPolarHBondContact O-CB 3.36Å; G44-D48 PolarHBondContact O-N 3.46Å; E45-D48 PolarHBondContact O-N 2.92Å; D48-R53 IonicContact OD1-CZ 2.66Å; D48-R53 IonicContact OD1-NE 3.8Å; D48-R53 IonicContact OD1-NH1 3.98Å; D48-R53 IonicContact OD1-NH2 2.98Å; D48-R53 PolarHBondContact OD1-NH2 2.93Å; D48-R164 IonicContact OD1-NH2 2.58Å; D48-R164 PolarHBondContact OD1-NH2 3.11Å; D48-R164 IonicContact OD2-CZ 3.16Å; D48-R164 IonicContact OD2-NH2 3.11Å; D48-R164 PolarHBondContact OD2-NH2 3.36Å
49M89.8Confident89.3Confident17 Ų1755.6 Ų55.68%0.08430%0.296CS..SBendtrans-69.2137.3-179.4-80.7-153.8-85.700113.1L16 A19 K20 E45 L46 L47 N51 V52 R53L16-M49 HydrophobicContact CB-CE 4.35Å; L16-M49 HydrophobicContact CD1-CE 3.54Å; L16-M49 HydrophobicContact CG-CE 3.57Å; L16-M49 HydrophobicContact CG-SD 4.22Å; A19-M49 HydrophobicContact CB-CE 3.35Å; A19-M49 HydrophobicContact CB-SD 4.45Å; K20-M49 HydrophobicContact CG-SD 3.89Å; E45-M49 WeakPolarHBondContact O-CG 3.41Å; E45-M49 PolarHBondContact O-N 3.5Å; L46-M49 HydrophobicContact CD1-CE 3.69Å; L46-M49 PolarHBondContact O-N 3.48Å; L47-M49 VanDerWaalsContact C-N 3.27Å; L47-M49 PolarHBondContact O-N 3.39Å; M49-N51 VanDerWaalsContact C-N 3.33Å; M49-N51 PolarHBondContact O-N 2.89Å; M49-V52 HydrophobicContact CB-CG2 4.3Å; M49-V52 PolarHBondContact O-N 2.91Å; M49-V52 VanDerWaalsContact O-N 3.07Å; M49-R53 PolarHBondContact O-N 3.45Å
50P89.9Confident89.6Confident87 Ų8757.5 Ų57.557%0.56530%0.298SS*.Hα-helixtrans-55.1-45.5-179.9-25.733.8000113V52 R53 E54P50-V52 PolarHBondContact O-N 3.36Å; P50-R53 WeakPolarHBondContact O-CB 3.5Å; P50-R53 PolarHBondContact O-N 2.89Å; P50-R53 VanDerWaalsContact O-N 3.1Å; P50-E54 PolarHBondContact O-N 3.34Å
51N89.4Confident89.6Confident31 Ų3158.6 Ų58.617%0.16631%0.307CS..Hα-helixtrans-60.8-32.5-178.9-52.731.1000112.4A19 K20 A22 L27 M49A19-N51 PolarHBondContact O-ND2 2.85Å; K20-N51 PolarHBondContact O-ND2 3.38Å; A22-N51 PolarHBondContact O-ND2 2.91Å; L27-N51 HydrophobicContact CD1-CB 3.74Å; L27-N51 WeakPolarHBondContact CD1-O 3.44Å; M49-N51 VanDerWaalsContact C-N 3.33Å; M49-N51 PolarHBondContact O-N 2.89Å
52V90.8Very high89.8Confident0 Ų059.7 Ų59.70%032%0.318CS..Hα-helixtrans-79.7-35.8178.8176.20000110.4L27 L46 M49 P50 E54 L55 F64 L67L27-V52 HydrophobicContact CD2-CG2 4.41Å; L46-V52 HydrophobicContact CG-CG2 4.49Å; L46-V52 WeakPolarHBondContact O-CB 3.33Å; L46-V52 VanDerWaalsContact O-CG2 3.32Å; L46-V52 WeakPolarHBondContact O-CG2 3.25Å; M49-V52 HydrophobicContact CB-CG2 4.3Å; M49-V52 PolarHBondContact O-N 2.91Å; M49-V52 VanDerWaalsContact O-N 3.07Å; P50-V52 PolarHBondContact O-N 3.36Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 3.49Å; V52-L55 VanDerWaalsContact O-CB 3.29Å; V52-L55 WeakPolarHBondContact O-CB 3.44Å; V52-L55 PolarHBondContact O-N 2.93Å; V52-L55 VanDerWaalsContact O-N 3.12Å; V52-F64 HydrophobicContact CG1-CD2 3.93Å; V52-F64 HydrophobicContact CG1-CE2 4.14Å; V52-F64 VanDerWaalsContact O-CD2 3.22Å; V52-F64 WeakPolarHBondContact O-CD2 3.4Å; V52-L67 HydrophobicContact CG1-CD2 3.82Å
53R90.1Very high89.9Confident128 Ų12857.4 Ų57.448%0.48330%0.304SS..Hα-helixtrans-64.3-35.1173.9-72.1-179.3167.8176.1-4.6113.1D48 M49 P50 L55 A56D48-R53 IonicContact OD1-CZ 2.66Å; D48-R53 IonicContact OD1-NE 3.8Å; D48-R53 IonicContact OD1-NH1 3.98Å; D48-R53 IonicContact OD1-NH2 2.98Å; D48-R53 PolarHBondContact OD1-NH2 2.93Å; M49-R53 PolarHBondContact O-N 3.45Å; P50-R53 WeakPolarHBondContact O-CB 3.5Å; P50-R53 PolarHBondContact O-N 2.89Å; P50-R53 VanDerWaalsContact O-N 3.1Å; R53-L55 PolarHBondContact O-N 2.89Å; R53-A56 WeakPolarHBondContact O-CB 3.32Å; R53-A56 PolarHBondContact O-N 3.16Å
54E89.6Confident90Very high128 Ų12859 Ų5960%0.59831%0.311SS*.G310 helixtrans-58.7-27.6173.3-72.5176.4-172.800112.4P50 V52 A56P50-E54 PolarHBondContact O-N 3.34Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 3.49Å; E54-A56 PolarHBondContact O-N 3.04Å
55L88.8Confident90.2Very high5 Ų564.9 Ų64.93%0.02633%0.329CS..G310 helixtrans-69.8-21.6176.6-57.4174.2000112.9L27 I31 V52 R53 E57 S58 F60 A61 F64L27-L55 HydrophobicContact CB-CD1 3.79Å; L27-L55 HydrophobicContact CD1-CD1 4.26Å; L27-L55 HydrophobicContact CD1-CD2 4.48Å; L27-L55 HydrophobicContact CD1-CG 4.45Å; I31-L55 HydrophobicContact CD1-CD1 3.85Å; V52-L55 VanDerWaalsContact O-CB 3.29Å; V52-L55 WeakPolarHBondContact O-CB 3.44Å; V52-L55 PolarHBondContact O-N 2.93Å; V52-L55 VanDerWaalsContact O-N 3.12Å; R53-L55 PolarHBondContact O-N 2.89Å; L55-E57 PolarHBondContact O-N 3.44Å; L55-S58 PolarHBondContact O-N 3.25Å; L55-F60 HydrophobicContact CB-CB 4.5Å; L55-F60 HydrophobicContact CD2-CB 4.14Å; L55-F60 HydrophobicContact CD2-CD2 4.27Å; L55-F60 CarbonylContact O-C 3.26Å; L55-A61 VanDerWaalsContact O-CA 3.27Å; L55-A61 WeakPolarHBondContact O-CA 3.13Å; L55-A61 PolarHBondContact O-N 3.45Å; L55-F64 HydrophobicContact CB-CB 4.3Å
56A88.9Confident90.5Very high38 Ų3859 Ų5931%0.31430%0.302SS..G310 helixtrans-64.3-31-178.300000112.6R53 E54 A61 F64R53-A56 WeakPolarHBondContact O-CB 3.32Å; R53-A56 PolarHBondContact O-N 3.16Å; E54-A56 PolarHBondContact O-N 3.04Å; A56-A61 WeakPolarHBondContact O-CB 3.33Å; A56-F64 HydrophobicContact CB-CD1 3.48Å; A56-F64 VanDerWaalsContact CB-CD1 3.48Å; A56-F64 HydrophobicContact CB-CD2 4.15Å; A56-F64 HydrophobicContact CB-CE1 3.61Å; A56-F64 HydrophobicContact CB-CE2 4.26Å; A56-F64 HydrophobicContact CB-CG 3.77Å; A56-F64 HydrophobicContact CB-CZ 4Å
57E86.3Confident90.7Very high192 Ų19258.6 Ų58.690%0.89730%0.299SS*.G310 helixtrans-104.59.1-179.3-61.6-178.1-178.800112.5L55L55-E57 PolarHBondContact O-N 3.44Å
58S87.5Confident90.8Very high52 Ų5260 Ų6036%0.36431%0.309SS..SBendtrans-107.9-179.7-176.1-167.30000112L55 F60 A61L55-S58 PolarHBondContact O-N 3.25Å; S58-F60 PolarHBondContact O-N 2.89Å; S58-A61 WeakPolarHBondContact O-CB 3.49Å; S58-A61 PolarHBondContact O-N 3.38Å; S58-A61 VanDerWaalsContact O-N 3.08Å
59D88.8Confident91Very high155 Ų15557.5 Ų57.583%0.82930%0.296SS*.THydrogen-bonded Turntrans-60.5-17.9175.3-59.1-38.1000112.6
60F91Very high91.3Very high66 Ų6656.7 Ų56.729%0.28929%0.292SS..THydrogen-bonded Turntrans-9618.7177.9-57.1-75.3000113.9A25 A28 L55 S58 S62 T63 F64A25-F60 HydrophobicContact CB-CE1 4.45Å; A25-F60 HydrophobicContact CB-CE2 4.41Å; A25-F60 HydrophobicContact CB-CZ 3.82Å; A28-F60 HydrophobicContact CB-CB 4.46Å; A28-F60 HydrophobicContact CB-CD1 3.66Å; A28-F60 HydrophobicContact CB-CE1 4.12Å; A28-F60 HydrophobicContact CB-CG 4.11Å; L55-F60 HydrophobicContact CB-CB 4.5Å; L55-F60 HydrophobicContact CD2-CB 4.14Å; L55-F60 HydrophobicContact CD2-CD2 4.27Å; L55-F60 CarbonylContact O-C 3.26Å; S58-F60 PolarHBondContact O-N 2.89Å; F60-S62 PolarHBondContact O-N 3.4Å; F60-S62 VanDerWaalsContact O-N 3.14Å; F60-T63 WeakPolarHBondContact O-CB 3.47Å; F60-T63 PolarHBondContact O-N 3.34Å; F60-F64 PolarHBondContact O-N 3.44Å
61A91Very high91.4Very high26 Ų2652.5 Ų52.522%0.21527%0.265CS..Hα-helixtrans-56.1-31179.600000113.4L55 A56 S58 F64 R65L55-A61 VanDerWaalsContact O-CA 3.27Å; L55-A61 WeakPolarHBondContact O-CA 3.13Å; L55-A61 PolarHBondContact O-N 3.45Å; A56-A61 WeakPolarHBondContact O-CB 3.33Å; S58-A61 WeakPolarHBondContact O-CB 3.49Å; S58-A61 PolarHBondContact O-N 3.38Å; S58-A61 VanDerWaalsContact O-N 3.08Å; A61-F64 PolarHBondContact O-N 2.93Å; A61-R65 WeakPolarHBondContact O-CG 3.31Å; A61-R65 PolarHBondContact O-N 3.32Å
62S92.8Very high91.6Very high44 Ų4454.1 Ų54.131%0.30827%0.269SS..Hα-helixtrans-64.7-37.5176.160.80000112.4F60 R65 L66 N84 P86F60-S62 PolarHBondContact O-N 3.4Å; F60-S62 VanDerWaalsContact O-N 3.14Å; S62-R65 PolarHBondContact O-N 3.26Å; S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 PolarHBondContact O-N 2.78Å; S62-N84 WeakPolarHBondContact CB-O 3.26Å; S62-P86 WeakPolarHBondContact O-CD 3.4Å
63T93.1Very high91.7Very high9 Ų954.7 Ų54.76%0.05528%0.275CS..Hα-helixtrans-70.5-37.3175.2-48.10000111.6A28 I31 F60 L66 L67A28-T63 HydrophobicContact CB-CG2 4.31Å; I31-T63 HydrophobicContact CB-CG2 3.88Å; I31-T63 HydrophobicContact CD1-CG2 3.85Å; I31-T63 HydrophobicContact CG1-CG2 4.47Å; I31-T63 HydrophobicContact CG2-CG2 3.75Å; F60-T63 WeakPolarHBondContact O-CB 3.47Å; F60-T63 PolarHBondContact O-N 3.34Å; T63-L66 WeakPolarHBondContact O-CB 3.45Å; T63-L66 PolarHBondContact O-N 2.96Å; T63-L67 PolarHBondContact O-N 3.43Å
64F93.4Very high92Very high37 Ų3750.2 Ų50.216%0.16226%0.262CS..Hα-helixtrans-64-44.4173178.8-94.1000111.9L47 V52 L55 A56 F60 A61 L66 L67 T68L47-F64 HydrophobicContact CD1-CD2 4.18Å; L47-F64 HydrophobicContact CD1-CE2 3.57Å; L47-F64 HydrophobicContact CD1-CZ 3.87Å; V52-F64 HydrophobicContact CG1-CD2 3.93Å; V52-F64 HydrophobicContact CG1-CE2 4.14Å; V52-F64 VanDerWaalsContact O-CD2 3.22Å; V52-F64 WeakPolarHBondContact O-CD2 3.4Å; L55-F64 HydrophobicContact CB-CB 4.3Å; A56-F64 HydrophobicContact CB-CD1 3.48Å; A56-F64 VanDerWaalsContact CB-CD1 3.48Å; A56-F64 HydrophobicContact CB-CD2 4.15Å; A56-F64 HydrophobicContact CB-CE1 3.61Å; A56-F64 HydrophobicContact CB-CE2 4.26Å; A56-F64 HydrophobicContact CB-CG 3.77Å; A56-F64 HydrophobicContact CB-CZ 4Å; F60-F64 PolarHBondContact O-N 3.44Å; A61-F64 PolarHBondContact O-N 2.93Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 PolarHBondContact O-N 3.46Å; F64-L67 PolarHBondContact O-N 3.46Å; F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 3.38Å
65R93.1Very high92.3Very high136 Ų13644.7 Ų44.751%0.51324%0.236SC..Hα-helixtrans-59.9-41.4173.6-73.7177.4-177.8-116.81.3111.5A61 S62 L67 T68 V69 L85A61-R65 WeakPolarHBondContact O-CG 3.31Å; A61-R65 PolarHBondContact O-N 3.32Å; S62-R65 PolarHBondContact O-N 3.26Å; R65-L67 PolarHBondContact O-N 3Å; R65-T68 WeakPolarHBondContact O-CA 3.3Å; R65-T68 VanDerWaalsContact O-CB 3.3Å; R65-T68 WeakPolarHBondContact O-CB 3.36Å; R65-T68 PolarHBondContact O-N 3.06Å; R65-T68 VanDerWaalsContact O-N 3.12Å; R65-V69 WeakPolarHBondContact O-CG2 3.47Å; R65-V69 PolarHBondContact O-N 2.9Å; R65-L85 HydrophobicContact CB-CD2 3.69Å
66L94.4Very high92.6Very high0 Ų046.8 Ų46.80%025%0.253CS..Hα-helixtrans-59.2-46.7176-174.164.2000111.7L35 S62 T63 F64 T68 V69 F70 Y78 L85 P86 L88L35-L66 HydrophobicContact CD1-CD2 3.81Å; L35-L66 HydrophobicContact CD1-CG 3.96Å; S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 PolarHBondContact O-N 2.78Å; T63-L66 WeakPolarHBondContact O-CB 3.45Å; T63-L66 PolarHBondContact O-N 2.96Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 PolarHBondContact O-N 3.46Å; L66-T68 VanDerWaalsContact C-N 3.26Å; L66-T68 PolarHBondContact O-N 3.09Å; L66-V69 WeakPolarHBondContact O-CB 3.39Å; L66-V69 PolarHBondContact O-N 3.36Å; L66-V69 VanDerWaalsContact O-N 3.16Å; L66-F70 HydrophobicContact CD1-CD2 4.38Å; L66-F70 HydrophobicContact CD1-CE2 4.09Å; L66-F70 HydrophobicContact CG-CD2 4.41Å; L66-F70 HydrophobicContact CG-CE2 4.34Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 2.9Å; L66-F70 VanDerWaalsContact O-N 3.11Å; L66-Y78 HydrophobicContact CD1-CD2 4.22Å; L66-Y78 HydrophobicContact CD1-CE2 4.35Å; L66-L85 HydrophobicContact CB-CD2 4.3Å; L66-L85 HydrophobicContact CD1-CB 4.44Å; L66-L85 HydrophobicContact CD1-CD1 4.4Å; L66-P86 HydrophobicContact CD2-CB 4.34Å; L66-P86 HydrophobicContact CD2-CG 4.26Å; L66-L88 HydrophobicContact CD1-CD1 4.28Å; L66-L88 HydrophobicContact CD1-CD2 3.86Å; L66-L88 HydrophobicContact CD1-CG 4.24Å; L66-L88 HydrophobicContact CD2-CD2 3.7Å; L66-L88 HydrophobicContact CG-CD2 4.25Å
67L94.5Very high92.9Very high0 Ų048.4 Ų48.40%026%0.257CS..Hα-helixtrans-61.1-37.6175.6-174.562.5000111.9I31 L35 F43 L46 L47 V52 T63 F64 R65 V69 F70 A71I31-L67 HydrophobicContact CD1-CD2 4.3Å; I31-L67 HydrophobicContact CG1-CD2 4.33Å; I31-L67 HydrophobicContact CG2-CB 4.2Å; I31-L67 HydrophobicContact CG2-CD1 4.34Å; L35-L67 HydrophobicContact CD2-CD1 3.99Å; F43-L67 HydrophobicContact CB-CD1 3.99Å; F43-L67 HydrophobicContact CD1-CD1 4.08Å; F43-L67 HydrophobicContact CG-CD1 4.15Å; L46-L67 HydrophobicContact CD2-CD1 4.17Å; L46-L67 HydrophobicContact CD2-CD2 4.03Å; L46-L67 HydrophobicContact CG-CD2 4.26Å; L47-L67 HydrophobicContact CB-CD2 4.37Å; L47-L67 HydrophobicContact CD1-CB 4.35Å; L47-L67 HydrophobicContact CD1-CD2 3.83Å; L47-L67 HydrophobicContact CD1-CG 3.96Å; V52-L67 HydrophobicContact CG1-CD2 3.82Å; T63-L67 PolarHBondContact O-N 3.43Å; F64-L67 PolarHBondContact O-N 3.46Å; R65-L67 PolarHBondContact O-N 3Å; L67-V69 VanDerWaalsContact C-N 3.33Å; L67-V69 PolarHBondContact O-N 3.01Å; L67-F70 PolarHBondContact O-N 2.88Å; L67-A71 PolarHBondContact O-N 2.91Å
68T93.7Very high93.4Very high43 Ų4340.1 Ų40.126%0.26422%0.218SC..Hα-helixtrans-62.4-39.9175.5-53.60000111.6F64 R65 L66 A71 Y72F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 3.38Å; R65-T68 WeakPolarHBondContact O-CA 3.3Å; R65-T68 VanDerWaalsContact O-CB 3.3Å; R65-T68 WeakPolarHBondContact O-CB 3.36Å; R65-T68 PolarHBondContact O-N 3.06Å; R65-T68 VanDerWaalsContact O-N 3.12Å; L66-T68 VanDerWaalsContact C-N 3.26Å; L66-T68 PolarHBondContact O-N 3.09Å; T68-A71 PolarHBondContact O-N 2.97Å; T68-Y72 HydrophobicContact CG2-CD2 4.07Å; T68-Y72 PolarHBondContact O-N 3.37Å
69V95Very high93.7Very high13 Ų1341.4 Ų41.48%0.07922%0.22CC..Hα-helixtrans-64.5-38.9174.7173.10000111.3R65 L66 L67 G73 L85 L96R65-V69 WeakPolarHBondContact O-CG2 3.47Å; R65-V69 PolarHBondContact O-N 2.9Å; L66-V69 WeakPolarHBondContact O-CB 3.39Å; L66-V69 PolarHBondContact O-N 3.36Å; L66-V69 VanDerWaalsContact O-N 3.16Å; L67-V69 VanDerWaalsContact C-N 3.33Å; L67-V69 PolarHBondContact O-N 3.01Å; V69-G73 CarbonylContact O-C 3.42Å; V69-G73 VanDerWaalsContact O-C 3.26Å; V69-G73 WeakPolarHBondContact O-CA 3.31Å; V69-G73 PolarHBondContact O-N 3.41Å; V69-L85 HydrophobicContact CG2-CD1 4.16Å; V69-L96 HydrophobicContact CG1-CD1 4.21Å; V69-L96 HydrophobicContact CG1-CD2 4Å
70F94.8Very high93.9Very high0 Ų038.1 Ų38.10%022%0.215CC..Hα-helixtrans-69.2-36.2175.7-87.7-101000113.2L35 F43 L66 L67 L88 Q92 K95 L96 L99L35-F70 HydrophobicContact CD1-CD2 4.05Å; L35-F70 HydrophobicContact CD1-CE2 4.04Å; L35-F70 HydrophobicContact CD2-CB 3.75Å; L35-F70 HydrophobicContact CD2-CD1 3.68Å; L35-F70 HydrophobicContact CD2-CD2 3.81Å; L35-F70 HydrophobicContact CD2-CE1 4.16Å; L35-F70 HydrophobicContact CD2-CE2 4.29Å; L35-F70 HydrophobicContact CD2-CG 3.46Å; L35-F70 VanDerWaalsContact CD2-CG 3.46Å; L35-F70 HydrophobicContact CD2-CZ 4.44Å; F43-F70 HydrophobicContact CD2-CB 3.97Å; F43-F70 HydrophobicContact CE2-CB 3.85Å; F43-F70 HydrophobicContact CE2-CD1 4.05Å; F43-F70 HydrophobicContact CE2-CG 4.44Å; F43-F70 HydrophobicContact CZ-CB 4.45Å; F43-F70 HydrophobicContact CZ-CD1 4.15Å; L66-F70 HydrophobicContact CD1-CD2 4.38Å; L66-F70 HydrophobicContact CD1-CE2 4.09Å; L66-F70 HydrophobicContact CG-CD2 4.41Å; L66-F70 HydrophobicContact CG-CE2 4.34Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 2.9Å; L66-F70 VanDerWaalsContact O-N 3.11Å; L67-F70 PolarHBondContact O-N 2.88Å; F70-L88 HydrophobicContact CE2-CD1 3.93Å; F70-L88 HydrophobicContact CE2-CD2 4.12Å; F70-L88 HydrophobicContact CZ-CD1 4.1Å; F70-L88 HydrophobicContact CZ-CD2 4.39Å; F70-Q92 HydrophobicContact CZ-CB 4.19Å; F70-Q92 WeakPolarHBondContact CZ-O 3.29Å; F70-K95 HydrophobicContact CE1-CB 4.33Å; F70-K95 HydrophobicContact CE1-CD 4.34Å; F70-K95 HydrophobicContact CE1-CG 4.47Å; F70-L96 HydrophobicContact CD1-CB 4.49Å; F70-L96 HydrophobicContact CD1-CD1 4.24Å; F70-L96 HydrophobicContact CD2-CD1 4.3Å; F70-L96 HydrophobicContact CE1-CB 3.88Å; F70-L96 HydrophobicContact CE1-CD1 4.43Å; F70-L96 HydrophobicContact CE2-CB 4.39Å; F70-L96 HydrophobicContact CE2-CD1 4.48Å; F70-L96 HydrophobicContact CE2-CD2 4.27Å; F70-L96 HydrophobicContact CG-CD1 4.19Å; F70-L96 HydrophobicContact CZ-CB 3.83Å; F70-L96 HydrophobicContact CZ-CD2 4.5Å; F70-L99 HydrophobicContact CD1-CD1 3.92Å
71A93.2Very high94Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-71.5-45.5177.200000112.1F43 L47 L67 T68 R160 D161F43-A71 HydrophobicContact CB-CB 4.3Å; L47-A71 HydrophobicContact CD2-CB 3.96Å; L67-A71 PolarHBondContact O-N 2.91Å; T68-A71 PolarHBondContact O-N 2.97Å; A71-R160 WeakPolarHBondContact O-CD 3.34Å; A71-R160 PolarHBondContact O-NE 2.85Å; A71-D161 HydrophobicContact CB-CB 4.27Å
72Y93.3Very high93.9Very high64 Ų6439.4 Ų39.425%0.25123%0.225SC..Hα-helixtrans-127.4-23.7-167.5-54.3-55.8000115.3L47 T68 R160 D161 I162 Q163L47-Y72 HydrophobicContact CD2-CD2 4.16Å; L47-Y72 HydrophobicContact CD2-CE2 3.42Å; L47-Y72 VanDerWaalsContact CD2-CE2 3.42Å; T68-Y72 HydrophobicContact CG2-CD2 4.07Å; T68-Y72 PolarHBondContact O-N 3.37Å; Y72-R160 VanDerWaalsContact C-NH2 3.31Å; Y72-R160 PolarHBondContact O-NH2 2.91Å; Y72-D161 HydrophobicContact CD1-CB 4.24Å; Y72-D161 HydrophobicContact CE1-CB 3.79Å; Y72-I162 VanDerWaalsContact CE1-C 3.5Å; Y72-Q163 HydrophobicContact CD1-CG 3.47Å; Y72-Q163 VanDerWaalsContact CD1-CG 3.47Å; Y72-Q163 HydrophobicContact CD2-CG 4.03Å; Y72-Q163 HydrophobicContact CE1-CB 4.42Å; Y72-Q163 HydrophobicContact CE1-CG 3.63Å; Y72-Q163 HydrophobicContact CE2-CG 4.14Å; Y72-Q163 HydrophobicContact CG-CG 3.69Å
73G93.4Very high93.7Very high12 Ų1249 Ų4912%0.12426%0.255CS..  trans-89-175.2-176.600000113.8V69 R160V69-G73 CarbonylContact O-C 3.42Å; V69-G73 VanDerWaalsContact O-C 3.26Å; V69-G73 WeakPolarHBondContact O-CA 3.31Å; V69-G73 PolarHBondContact O-N 3.41Å; G73-R160 PolarHBondContact O-NH1 3.24Å
74T95.2Very high93.6Very high35 Ų3553.8 Ų53.822%0.21528%0.279CS..  trans-125.4173.3179.665.60000110.9A76 D77 Y78 T103T74-A76 PolarHBondContact O-N 3.24Å; T74-D77 WeakPolarHBondContact CB-OD2 3.41Å; T74-D77 PolarHBondContact N-OD2 3.41Å; T74-D77 WeakPolarHBondContact O-CB 3.42Å; T74-D77 PolarHBondContact O-N 3.27Å; T74-D77 VanDerWaalsContact O-N 3.15Å; T74-D77 PolarHBondContact OG1-OD2 3.5Å; T74-Y78 PolarHBondContact O-N 2.93Å; T74-Y78 VanDerWaalsContact O-N 3.15Å; T74-T103 HydrophobicContact CG2-CG2 4.46Å
75Y96.1Very high93.5Very high12 Ų1252.5 Ų52.55%0.04727%0.274CS..Hα-helixtrans-62.9-33176.4-168.7-105.7000112.2D77 Y78 L79 K93 L96 R97 S100 L120 A121Y75-D77 VanDerWaalsContact C-N 3.33Å; Y75-Y78 HydrophobicContact CD2-CD1 4.42Å; Y75-Y78 HydrophobicContact CE2-CD1 4.08Å; Y75-Y78 PolarHBondContact O-N 3.16Å; Y75-L79 HydrophobicContact CD1-CD1 3.97Å; Y75-L79 HydrophobicContact CD1-CG 4.29Å; Y75-L79 HydrophobicContact CE1-CD1 3.76Å; Y75-L79 HydrophobicContact CE1-CD2 4.24Å; Y75-L79 HydrophobicContact CE1-CG 4.02Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 3.48Å; Y75-K93 HydrophobicContact CE2-CB 3.95Å; Y75-K93 HydrophobicContact CE2-CG 4.1Å; Y75-L96 HydrophobicContact CD2-CB 4.23Å; Y75-L96 HydrophobicContact CD2-CD2 3.99Å; Y75-L96 HydrophobicContact CD2-CG 4.15Å; Y75-R97 HydrophobicContact CD1-CG 4.15Å; Y75-R97 HydrophobicContact CD2-CG 3.84Å; Y75-R97 HydrophobicContact CE1-CG 4.44Å; Y75-R97 HydrophobicContact CE2-CG 4.18Å; Y75-R97 HydrophobicContact CG-CG 3.83Å; Y75-R97 PolarHBondContact OH-NH2 2.84Å; Y75-S100 PolarHBondContact N-OG 3.11Å; Y75-L120 WeakPolarHBondContact CD1-O 3.43Å; Y75-L120 VanDerWaalsContact CE1-O 3.24Å; Y75-L120 WeakPolarHBondContact CE1-O 3.47Å; Y75-A121 HydrophobicContact CE1-CB 4.18Å
76A95.3Very high93.4Very high48 Ų4846.9 Ų46.940%0.39726%0.256SS..Hα-helixtrans-62.8-40.3173.500000111.9T74 L79 A80T74-A76 PolarHBondContact O-N 3.24Å; A76-L79 PolarHBondContact O-N 2.91Å; A76-A80 PolarHBondContact O-N 3.39Å
77D95.4Very high93.3Very high73 Ų7352.3 Ų52.339%0.3929%0.291SS..Hα-helixtrans-65.4-40.5177.4-55.1-49.4000111.2T74 Y75 L79 A80 E81T74-D77 WeakPolarHBondContact CB-OD2 3.41Å; T74-D77 PolarHBondContact N-OD2 3.41Å; T74-D77 WeakPolarHBondContact O-CB 3.42Å; T74-D77 PolarHBondContact O-N 3.27Å; T74-D77 VanDerWaalsContact O-N 3.15Å; T74-D77 PolarHBondContact OG1-OD2 3.5Å; Y75-D77 VanDerWaalsContact C-N 3.33Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 3.24Å; D77-A80 PolarHBondContact O-N 2.96Å; D77-E81 PolarHBondContact O-N 3.3Å
78Y95.6Very high93.2Very high17 Ų1753 Ų537%0.06729%0.294CS..Hα-helixtrans-59.4-41.8172.4169-99000112.2L66 T74 Y75 E81 A82 L85 L88 L96L66-Y78 HydrophobicContact CD1-CD2 4.22Å; L66-Y78 HydrophobicContact CD1-CE2 4.35Å; T74-Y78 PolarHBondContact O-N 2.93Å; T74-Y78 VanDerWaalsContact O-N 3.15Å; Y75-Y78 HydrophobicContact CD2-CD1 4.42Å; Y75-Y78 HydrophobicContact CE2-CD1 4.08Å; Y75-Y78 PolarHBondContact O-N 3.16Å; Y78-E81 CarbonylContact O-C 3.51Å; Y78-E81 PolarHBondContact O-N 2.9Å; Y78-A82 VanDerWaalsContact O-CA 3.31Å; Y78-A82 WeakPolarHBondContact O-CA 3.4Å; Y78-A82 WeakPolarHBondContact O-CB 3.4Å; Y78-A82 PolarHBondContact O-N 3.44Å; Y78-L85 HydrophobicContact CD2-CB 4.43Å; Y78-L85 HydrophobicContact CD2-CD1 3.7Å; Y78-L85 HydrophobicContact CE2-CB 4.3Å; Y78-L85 HydrophobicContact CE2-CD1 4.38Å; Y78-L88 HydrophobicContact CD1-CD1 4.31Å; Y78-L88 HydrophobicContact CD2-CD1 3.68Å; Y78-L88 HydrophobicContact CD2-CG 4.28Å; Y78-L88 HydrophobicContact CE1-CD1 4.09Å; Y78-L88 HydrophobicContact CE2-CB 4.41Å; Y78-L88 HydrophobicContact CE2-CD1 3.42Å; Y78-L88 VanDerWaalsContact CE2-CD1 3.42Å; Y78-L88 HydrophobicContact CE2-CG 3.55Å; Y78-L88 HydrophobicContact CG-CD1 4.13Å; Y78-L88 PolarHBondContact OH-N 2.91Å; Y78-L96 HydrophobicContact CG-CD2 4.06Å
79L94.1Very high93.2Very high79 Ų7953.5 Ų53.541%0.41430%0.298SS..Hα-helixtrans-66.7-38.4177.8-69.5175.5000112.3Y75 A76 D77 E81 A82 A121Y75-L79 HydrophobicContact CD1-CD1 3.97Å; Y75-L79 HydrophobicContact CD1-CG 4.29Å; Y75-L79 HydrophobicContact CE1-CD1 3.76Å; Y75-L79 HydrophobicContact CE1-CD2 4.24Å; Y75-L79 HydrophobicContact CE1-CG 4.02Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 3.48Å; A76-L79 PolarHBondContact O-N 2.91Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 3.24Å; L79-E81 VanDerWaalsContact C-N 3.3Å; L79-E81 PolarHBondContact O-N 2.92Å; L79-A82 WeakPolarHBondContact O-CB 3.44Å; L79-A82 PolarHBondContact O-N 3.2Å; L79-A121 HydrophobicContact CD1-CB 3.62Å
80A94.1Very high93.2Very high87 Ų8758 Ų5872%0.71932%0.318SS*.Hα-helixtrans-63.8-36.7176.300000111.9A76 D77A76-A80 PolarHBondContact O-N 3.39Å; D77-A80 PolarHBondContact O-N 2.96Å
81E92.3Very high93Very high73 Ų7360.5 Ų60.534%0.34134%0.338SS..THydrogen-bonded Turntrans-102.414.8-179-63-167.5-175.200114.3D77 Y78 L79 R83 N84 L85D77-E81 PolarHBondContact O-N 3.3Å; Y78-E81 CarbonylContact O-C 3.51Å; Y78-E81 PolarHBondContact O-N 2.9Å; L79-E81 VanDerWaalsContact C-N 3.3Å; L79-E81 PolarHBondContact O-N 2.92Å; E81-R83 PolarHBondContact O-N 3.21Å; E81-N84 PolarHBondContact O-N 3.38Å; E81-L85 HydrophobicContact CB-CD1 3.84Å; E81-L85 HydrophobicContact CB-CG 4.05Å; E81-L85 PolarHBondContact O-N 2.75Å; E81-L85 VanDerWaalsContact O-N 3.12Å
82A88.4Confident93.1Very high46 Ų4660.7 Ų60.738%0.3834%0.339SS..THydrogen-bonded Turntrans-58.6-20.5-171.700000114.8Y78 L79Y78-A82 VanDerWaalsContact O-CA 3.31Å; Y78-A82 WeakPolarHBondContact O-CA 3.4Å; Y78-A82 WeakPolarHBondContact O-CB 3.4Å; Y78-A82 PolarHBondContact O-N 3.44Å; L79-A82 WeakPolarHBondContact O-CB 3.44Å; L79-A82 PolarHBondContact O-N 3.2Å
83R89.3Confident93.2Very high246 Ų24659.7 Ų59.793%0.92834%0.336SS*.THydrogen-bonded Turntrans-79.8-27175.2-63.4-176.1-177.9-174.80.9113.5E81E81-R83 PolarHBondContact O-N 3.21Å
84N90.1Very high93.2Very high108 Ų10860.7 Ų60.758%0.57834%0.338SS*.THydrogen-bonded Turntrans-97.4-18.2-175.9-61.4-25.9000112S62 E81S62-N84 WeakPolarHBondContact CB-O 3.26Å; E81-N84 PolarHBondContact O-N 3.38Å
85L91.8Very high93.2Very high11 Ų1159.4 Ų59.46%0.05833%0.33CS..SBendtrans-98.2150-178.4-63.8176.1000111.6R65 L66 V69 Y78 E81R65-L85 HydrophobicContact CB-CD2 3.69Å; L66-L85 HydrophobicContact CB-CD2 4.3Å; L66-L85 HydrophobicContact CD1-CB 4.44Å; L66-L85 HydrophobicContact CD1-CD1 4.4Å; V69-L85 HydrophobicContact CG2-CD1 4.16Å; Y78-L85 HydrophobicContact CD2-CB 4.43Å; Y78-L85 HydrophobicContact CD2-CD1 3.7Å; Y78-L85 HydrophobicContact CE2-CB 4.3Å; Y78-L85 HydrophobicContact CE2-CD1 4.38Å; E81-L85 HydrophobicContact CB-CD1 3.84Å; E81-L85 HydrophobicContact CB-CG 4.05Å; E81-L85 PolarHBondContact O-N 2.75Å; E81-L85 VanDerWaalsContact O-N 3.12Å
86P91.3Very high93.2Very high18 Ų1858.9 Ų58.912%0.11733%0.328CS..PPolyproline II helixtrans-61147.6172.2-20.233.2000111.5S62 L66 L88S62-P86 WeakPolarHBondContact O-CD 3.4Å; L66-P86 HydrophobicContact CD2-CB 4.34Å; L66-P86 HydrophobicContact CD2-CG 4.26Å; P86-L88 PolarHBondContact O-N 2.96Å
87P91.8Very high93.3Very high114 Ų11457.9 Ų57.974%0.7431%0.314SS*.PPolyproline II helixtrans-65.2133.9178.327.4-34000111
88L93.6Very high93.3Very high13 Ų1354.9 Ų54.97%0.06830%0.298CS..PPolyproline II helixtrans-92145.9177.8-68.1-178.8000112.9L66 F70 Y78 P86 Q92 K93 L96L66-L88 HydrophobicContact CD1-CD1 4.28Å; L66-L88 HydrophobicContact CD1-CD2 3.86Å; L66-L88 HydrophobicContact CD1-CG 4.24Å; L66-L88 HydrophobicContact CD2-CD2 3.7Å; L66-L88 HydrophobicContact CG-CD2 4.25Å; F70-L88 HydrophobicContact CE2-CD1 3.93Å; F70-L88 HydrophobicContact CE2-CD2 4.12Å; F70-L88 HydrophobicContact CZ-CD1 4.1Å; F70-L88 HydrophobicContact CZ-CD2 4.39Å; Y78-L88 HydrophobicContact CD1-CD1 4.31Å; Y78-L88 HydrophobicContact CD2-CD1 3.68Å; Y78-L88 HydrophobicContact CD2-CG 4.28Å; Y78-L88 HydrophobicContact CE1-CD1 4.09Å; Y78-L88 HydrophobicContact CE2-CB 4.41Å; Y78-L88 HydrophobicContact CE2-CD1 3.42Å; Y78-L88 VanDerWaalsContact CE2-CD1 3.42Å; Y78-L88 HydrophobicContact CE2-CG 3.55Å; Y78-L88 HydrophobicContact CG-CD1 4.13Å; Y78-L88 PolarHBondContact OH-N 2.91Å; P86-L88 PolarHBondContact O-N 2.96Å; L88-Q92 HydrophobicContact CB-CB 4.15Å; L88-Q92 HydrophobicContact CD2-CB 3.91Å; L88-Q92 HydrophobicContact CD2-CG 4.5Å; L88-Q92 HydrophobicContact CG-CB 4.45Å; L88-K93 HydrophobicContact CB-CG 3.78Å; L88-K93 HydrophobicContact CD1-CG 4.35Å; L88-K93 VanDerWaalsContact O-CE 3.25Å; L88-K93 WeakPolarHBondContact O-CE 3.47Å; L88-L96 HydrophobicContact CD1-CD2 4.4Å
89T94.1Very high93.3Very high55 Ų5554.1 Ų54.134%0.33729%0.294SS..PPolyproline II helixtrans-70.1161.2165.471.20000110.7E36 A91 Q92 K93E36-T89 PolarHBondContact OE1-OG1 3.26Å; T89-A91 VanDerWaalsContact C-N 3.26Å; T89-A91 PolarHBondContact O-N 3.15Å; T89-Q92 PolarHBondContact O-N 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.32Å; T89-Q92 PolarHBondContact OG1-N 3.19Å; T89-Q92 PolarHBondContact OG1-OE1 3.38Å; T89-K93 WeakPolarHBondContact O-CG 3.48Å; T89-K93 PolarHBondContact O-N 3.16Å
90E93.2Very high93.4Very high108 Ų10850.5 Ų50.551%0.50528%0.276SS..Hα-helixtrans-61.4-35.4177.2-69.9-55.5124.300112.3Q92 K93 N94E90-Q92 PolarHBondContact O-N 3.31Å; E90-K93 PolarHBondContact O-N 3.38Å; E90-K93 WeakPolarHBondContact OE1-CD 3.48Å; E90-K93 IonicContact OE1-NZ 3.86Å; E90-K93 PolarHBondContact OE1-NZ 2.96Å; E90-N94 WeakPolarHBondContact O-CB 3.49Å; E90-N94 PolarHBondContact O-N 3.48Å; E90-N94 PolarHBondContact O-OD1 3.45Å
91A92.4Very high93.4Very high52 Ų5246.6 Ų46.643%0.4324%0.243SC..Hα-helixtrans-61-46174.700000111.8E36 T89 N94 K95E36-A91 HydrophobicContact CG-CB 4.26Å; T89-A91 VanDerWaalsContact C-N 3.26Å; T89-A91 PolarHBondContact O-N 3.15Å; A91-N94 PolarHBondContact O-N 2.98Å; A91-K95 WeakPolarHBondContact O-CB 3.43Å; A91-K95 PolarHBondContact O-N 3.08Å
92Q94.1Very high93.6Very high3 Ų343.3 Ų43.31%0.01423%0.228CC..Hα-helixtrans-65.2-39.7176.4-70167-20.400112H32 L35 E36 F70 L88 T89 E90 K95 L96H32-Q92 PolarHBondContact O-NE2 3.22Å; H32-Q92 VanDerWaalsContact O-NE2 3.11Å; L35-Q92 HydrophobicContact CB-CG 4.26Å; E36-Q92 HydrophobicContact CB-CG 4.07Å; E36-Q92 HydrophobicContact CG-CG 4.48Å; F70-Q92 HydrophobicContact CZ-CB 4.19Å; F70-Q92 WeakPolarHBondContact CZ-O 3.29Å; L88-Q92 HydrophobicContact CB-CB 4.15Å; L88-Q92 HydrophobicContact CD2-CB 3.91Å; L88-Q92 HydrophobicContact CD2-CG 4.5Å; L88-Q92 HydrophobicContact CG-CB 4.45Å; T89-Q92 PolarHBondContact O-N 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.32Å; T89-Q92 PolarHBondContact OG1-N 3.19Å; T89-Q92 PolarHBondContact OG1-OE1 3.38Å; E90-Q92 PolarHBondContact O-N 3.31Å; Q92-K95 PolarHBondContact O-N 3.08Å; Q92-L96 PolarHBondContact O-N 3.39Å
93K95.1Very high93.8Very high43 Ų4342.5 Ų42.519%0.18722%0.219CC..Hα-helixtrans-61.8-46174.4-70.1174.5-168166.90111.4Y75 L88 T89 E90 K95 L96 R97Y75-K93 HydrophobicContact CE2-CB 3.95Å; Y75-K93 HydrophobicContact CE2-CG 4.1Å; L88-K93 HydrophobicContact CB-CG 3.78Å; L88-K93 HydrophobicContact CD1-CG 4.35Å; L88-K93 VanDerWaalsContact O-CE 3.25Å; L88-K93 WeakPolarHBondContact O-CE 3.47Å; T89-K93 WeakPolarHBondContact O-CG 3.48Å; T89-K93 PolarHBondContact O-N 3.16Å; E90-K93 PolarHBondContact O-N 3.38Å; E90-K93 WeakPolarHBondContact OE1-CD 3.48Å; E90-K93 IonicContact OE1-NZ 3.86Å; E90-K93 PolarHBondContact OE1-NZ 2.96Å; K93-K95 VanDerWaalsContact C-N 3.31Å; K93-K95 PolarHBondContact O-N 2.98Å; K93-L96 PolarHBondContact O-N 3.03Å; K93-R97 VanDerWaalsContact O-CG 3.32Å; K93-R97 WeakPolarHBondContact O-CG 3.43Å; K93-R97 PolarHBondContact O-N 2.78Å
94N94.9Very high94.1Very high33 Ų3332.9 Ų32.918%0.17619%0.185CC..Hα-helixtrans-61.8-41.6177.7-73.62.7000111.2E90 A91 L96 R97 H98 L131E90-N94 WeakPolarHBondContact O-CB 3.49Å; E90-N94 PolarHBondContact O-N 3.48Å; E90-N94 PolarHBondContact O-OD1 3.45Å; A91-N94 PolarHBondContact O-N 2.98Å; N94-L96 PolarHBondContact O-N 2.58Å; N94-R97 CarbonylContact O-C 3.46Å; N94-R97 WeakPolarHBondContact O-CA 3.32Å; N94-R97 WeakPolarHBondContact O-CB 3.48Å; N94-R97 PolarHBondContact O-N 3.41Å; N94-R97 VanDerWaalsContact O-N 3.15Å; N94-R97 PolarHBondContact OD1-NH1 2.72Å; N94-H98 PolarHBondContact O-CD2 2.96Å; N94-H98 VanDerWaalsContact O-CD2 3.28Å; N94-H98 VanDerWaalsContact O-CG 3.24Å; N94-H98 PolarHBondContact O-N 3.36Å; N94-L131 HydrophobicContact CB-CD2 3.73Å; N94-L131 VanDerWaalsContact CG-CD2 3.43Å
95K95.3Very high94.3Very high9 Ų927.8 Ų27.84%0.03916%0.158CC..Hα-helixtrans-60.9-44.2174.4-164.6-177.5-176.6173.90112.6V34 L35 A37 V40 Y41 F70 A91 Q92 K93 R97 H98 L99V34-K95 PolarHBondContact O-NZ 2.93Å; L35-K95 WeakPolarHBondContact O-CD 3.47Å; L35-K95 WeakPolarHBondContact O-CE 3.27Å; L35-K95 PolarHBondContact O-NZ 3.48Å; A37-K95 PolarHBondContact O-NZ 3.45Å; V40-K95 WeakPolarHBondContact O-CE 3.47Å; V40-K95 PolarHBondContact O-NZ 2.93Å; Y41-K95 HydrophobicContact CD1-CG 3.98Å; Y41-K95 HydrophobicContact CE1-CD 4.43Å; Y41-K95 HydrophobicContact CE1-CG 3.47Å; Y41-K95 VanDerWaalsContact CE1-CG 3.47Å; F70-K95 HydrophobicContact CE1-CB 4.33Å; F70-K95 HydrophobicContact CE1-CD 4.34Å; F70-K95 HydrophobicContact CE1-CG 4.47Å; A91-K95 WeakPolarHBondContact O-CB 3.43Å; A91-K95 PolarHBondContact O-N 3.08Å; Q92-K95 PolarHBondContact O-N 3.08Å; K93-K95 VanDerWaalsContact C-N 3.31Å; K93-K95 PolarHBondContact O-N 2.98Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 2.71Å; K95-H98 WeakPolarHBondContact O-CB 3.34Å; K95-H98 PolarHBondContact O-N 2.82Å; K95-L99 WeakPolarHBondContact O-CG 3.48Å; K95-L99 PolarHBondContact O-N 2.61Å
96L95.9Very high94.3Very high0 Ų031.1 Ų31.10%019%0.187CC..Hα-helixtrans-66-34.4175.3-172.260000111.9V69 F70 Y75 Y78 L88 Q92 K93 N94 L99 S100V69-L96 HydrophobicContact CG1-CD1 4.21Å; V69-L96 HydrophobicContact CG1-CD2 4Å; F70-L96 HydrophobicContact CD1-CB 4.49Å; F70-L96 HydrophobicContact CD1-CD1 4.24Å; F70-L96 HydrophobicContact CD2-CD1 4.3Å; F70-L96 HydrophobicContact CE1-CB 3.88Å; F70-L96 HydrophobicContact CE1-CD1 4.43Å; F70-L96 HydrophobicContact CE2-CB 4.39Å; F70-L96 HydrophobicContact CE2-CD1 4.48Å; F70-L96 HydrophobicContact CE2-CD2 4.27Å; F70-L96 HydrophobicContact CG-CD1 4.19Å; F70-L96 HydrophobicContact CZ-CB 3.83Å; F70-L96 HydrophobicContact CZ-CD2 4.5Å; Y75-L96 HydrophobicContact CD2-CB 4.23Å; Y75-L96 HydrophobicContact CD2-CD2 3.99Å; Y75-L96 HydrophobicContact CD2-CG 4.15Å; Y78-L96 HydrophobicContact CG-CD2 4.06Å; L88-L96 HydrophobicContact CD1-CD2 4.4Å; Q92-L96 PolarHBondContact O-N 3.39Å; K93-L96 PolarHBondContact O-N 3.03Å; N94-L96 PolarHBondContact O-N 2.58Å; L96-L99 PolarHBondContact O-N 2.82Å; L96-S100 WeakPolarHBondContact O-CB 3.19Å; L96-S100 PolarHBondContact O-N 3.15Å; L96-S100 PolarHBondContact O-OG 3.25Å
97R96.3Very high94.3Very high28 Ų2838.6 Ų38.611%0.10622%0.218CC..Hα-helixtrans-62.6-46.5170.6-72.1171.8176.9146.6-3111.1Y75 K93 N94 K95 L99 S100 V101 L120Y75-R97 HydrophobicContact CD1-CG 4.15Å; Y75-R97 HydrophobicContact CD2-CG 3.84Å; Y75-R97 HydrophobicContact CE1-CG 4.44Å; Y75-R97 HydrophobicContact CE2-CG 4.18Å; Y75-R97 HydrophobicContact CG-CG 3.83Å; Y75-R97 PolarHBondContact OH-NH2 2.84Å; K93-R97 VanDerWaalsContact O-CG 3.32Å; K93-R97 WeakPolarHBondContact O-CG 3.43Å; K93-R97 PolarHBondContact O-N 2.78Å; N94-R97 CarbonylContact O-C 3.46Å; N94-R97 WeakPolarHBondContact O-CA 3.32Å; N94-R97 WeakPolarHBondContact O-CB 3.48Å; N94-R97 PolarHBondContact O-N 3.41Å; N94-R97 VanDerWaalsContact O-N 3.15Å; N94-R97 PolarHBondContact OD1-NH1 2.72Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 2.71Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 3.46Å; R97-S100 WeakPolarHBondContact O-CA 3.35Å; R97-S100 WeakPolarHBondContact O-CB 3.47Å; R97-S100 PolarHBondContact O-N 3.02Å; R97-V101 WeakPolarHBondContact O-CG2 3.07Å; R97-V101 PolarHBondContact O-N 3Å; R97-L120 HydrophobicContact CB-CD2 3.9Å; R97-L120 HydrophobicContact CG-CB 4.22Å; R97-L120 HydrophobicContact CG-CD2 4.12Å; R97-L120 PolarHBondContact NE-O 3.37Å; R97-L120 WeakPolarHBondContact O-CD2 3.38Å
98H95.3Very high94.4Very high10 Ų1037 Ų375%0.04621%0.206CC..Hα-helixtrans-56-47.7175.3-60.2164.2000111.4Y41 N94 K95 S100 V101 V102 L131 E134 A135Y41-H98 HydrophobicContact CE1-CB 4.19Å; Y41-H98 PolarHBondContact OH-ND1 2.71Å; N94-H98 PolarHBondContact O-CD2 2.96Å; N94-H98 VanDerWaalsContact O-CD2 3.28Å; N94-H98 VanDerWaalsContact O-CG 3.24Å; N94-H98 PolarHBondContact O-N 3.36Å; K95-H98 WeakPolarHBondContact O-CB 3.34Å; K95-H98 PolarHBondContact O-N 2.82Å; H98-S100 VanDerWaalsContact C-N 3.26Å; H98-S100 PolarHBondContact O-N 3.36Å; H98-V101 WeakPolarHBondContact O-CB 3.16Å; H98-V101 PolarHBondContact O-N 2.94Å; H98-V101 VanDerWaalsContact O-N 3.13Å; H98-V102 WeakPolarHBondContact O-CG2 3.16Å; H98-V102 PolarHBondContact O-N 3.24Å; H98-L131 PolarHBondContact NE2-O 2.92Å; H98-E134 IonicContact CE1-OE2 2.93Å; H98-A135 HydrophobicContact CB-CB 4.31Å
99L95.4Very high94.4Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-62.5-32.7177-68171000112.9Y41 F43 F70 K95 L96 R97 V102 T103 R160Y41-L99 HydrophobicContact CD1-CD2 3.74Å; Y41-L99 HydrophobicContact CD1-CG 4.03Å; Y41-L99 HydrophobicContact CG-CD2 4.42Å; F43-L99 HydrophobicContact CE2-CD1 3.97Å; F70-L99 HydrophobicContact CD1-CD1 3.92Å; K95-L99 WeakPolarHBondContact O-CG 3.48Å; K95-L99 PolarHBondContact O-N 2.61Å; L96-L99 PolarHBondContact O-N 2.82Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 3.46Å; L99-V102 PolarHBondContact O-N 3.38Å; L99-T103 PolarHBondContact O-N 3.35Å; L99-T103 PolarHBondContact O-OG1 2.9Å; L99-R160 HydrophobicContact CD2-CG 4.14Å
100S95.9Very high94.5Very high4 Ų441.9 Ų41.93%0.02823%0.229CC..Hα-helixtrans-69.2-40.4174.6-56.30000111.3Y75 L96 R97 H98 T103 L104Y75-S100 PolarHBondContact N-OG 3.11Å; L96-S100 WeakPolarHBondContact O-CB 3.19Å; L96-S100 PolarHBondContact O-N 3.15Å; L96-S100 PolarHBondContact O-OG 3.25Å; R97-S100 WeakPolarHBondContact O-CA 3.35Å; R97-S100 WeakPolarHBondContact O-CB 3.47Å; R97-S100 PolarHBondContact O-N 3.02Å; H98-S100 VanDerWaalsContact C-N 3.26Å; H98-S100 PolarHBondContact O-N 3.36Å; S100-T103 WeakPolarHBondContact O-CB 3.48Å; S100-T103 PolarHBondContact O-N 2.9Å; S100-L104 WeakPolarHBondContact O-CG 3.43Å; S100-L104 PolarHBondContact O-N 3.27Å
101V95.5Very high94.6Very high5 Ų537 Ų373%0.0321%0.206CC..Hα-helixtrans-62.9-43.2172.3-177.70000111R97 H98 T103 L104 A105 L116 L120 L141 L152R97-V101 WeakPolarHBondContact O-CG2 3.07Å; R97-V101 PolarHBondContact O-N 3Å; H98-V101 WeakPolarHBondContact O-CB 3.16Å; H98-V101 PolarHBondContact O-N 2.94Å; H98-V101 VanDerWaalsContact O-N 3.13Å; V101-T103 VanDerWaalsContact C-N 3.27Å; V101-T103 PolarHBondContact O-N 3.36Å; V101-L104 PolarHBondContact O-N 3.11Å; V101-L104 VanDerWaalsContact O-N 3.15Å; V101-A105 WeakPolarHBondContact O-CB 3.4Å; V101-A105 PolarHBondContact O-N 2.87Å; V101-L116 HydrophobicContact CB-CD2 4.41Å; V101-L116 HydrophobicContact CG1-CD2 4.02Å; V101-L116 HydrophobicContact CG2-CD2 3.82Å; V101-L120 HydrophobicContact CG2-CD1 3.61Å; V101-L120 HydrophobicContact CG2-CD2 4.03Å; V101-L120 HydrophobicContact CG2-CG 4.35Å; V101-L141 HydrophobicContact CB-CD1 4.11Å; V101-L141 HydrophobicContact CG1-CD1 3.51Å; V101-L152 HydrophobicContact CG1-CD2 3.97Å
102V95.2Very high94.9Very high4 Ų436.5 Ų36.52%0.02420%0.198CC..Hα-helixtrans-56.7-43.1174.4169.90000111.2H98 L99 L104 A105 A106 V140 L141 I158H98-V102 WeakPolarHBondContact O-CG2 3.16Å; H98-V102 PolarHBondContact O-N 3.24Å; L99-V102 PolarHBondContact O-N 3.38Å; V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 2.92Å; V102-A105 PolarHBondContact O-N 2.81Å; V102-A106 PolarHBondContact O-N 2.83Å; V102-V140 HydrophobicContact CG2-CG1 3.32Å; V102-L141 HydrophobicContact CG2-CD2 3.79Å; V102-L141 HydrophobicContact CG2-CG 4.23Å; V102-I158 HydrophobicContact CG1-CG1 4.5Å; V102-I158 WeakPolarHBondContact CG1-O 3.31Å; V102-I158 HydrophobicContact CG2-CG1 4.33Å
103T94.1Very high95Very high29 Ų2936.5 Ų36.518%0.17820%0.199CC..Hα-helixtrans-64.9-38.3178.4-55.10000112.1T74 L99 S100 V101 R160T74-T103 HydrophobicContact CG2-CG2 4.46Å; L99-T103 PolarHBondContact O-N 3.35Å; L99-T103 PolarHBondContact O-OG1 2.9Å; S100-T103 WeakPolarHBondContact O-CB 3.48Å; S100-T103 PolarHBondContact O-N 2.9Å; V101-T103 VanDerWaalsContact C-N 3.27Å; V101-T103 PolarHBondContact O-N 3.36Å; T103-R160 PolarHBondContact OG1-NH1 3.37Å
104L94.9Very high95Very high43 Ų4337.9 Ų37.923%0.22522%0.218CC..Hα-helixtrans-68.4-41.3173.7-70.1168.8000111.5S100 V101 V102 A106 K107 V108 I111 V115 L116 A119S100-L104 WeakPolarHBondContact O-CG 3.43Å; S100-L104 PolarHBondContact O-N 3.27Å; V101-L104 PolarHBondContact O-N 3.11Å; V101-L104 VanDerWaalsContact O-N 3.15Å; V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 2.92Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 3Å; L104-K107 PolarHBondContact O-N 3.47Å; L104-V108 PolarHBondContact O-N 3.04Å; L104-I111 HydrophobicContact CB-CD1 3.83Å; L104-V115 HydrophobicContact CD1-CG1 4.44Å; L104-V115 HydrophobicContact CD2-CG1 4.35Å; L104-L116 HydrophobicContact CD1-CD2 3.97Å; L104-A119 HydrophobicContact CD1-CB 3.98Å
105A94.8Very high95.1Very high2 Ų239.2 Ų39.22%0.01723%0.227CC..Hα-helixtrans-64.9-30.4178.800000113.3V101 V102 K107 I111 L141 V154V101-A105 WeakPolarHBondContact O-CB 3.4Å; V101-A105 PolarHBondContact O-N 2.87Å; V102-A105 PolarHBondContact O-N 2.81Å; A105-K107 PolarHBondContact O-N 3.2Å; A105-I111 HydrophobicContact CB-CD1 4.16Å; A105-L141 HydrophobicContact CB-CD2 4.39Å; A105-V154 HydrophobicContact CB-CB 4.13Å; A105-V154 HydrophobicContact CB-CG1 3.85Å; A105-V154 HydrophobicContact CB-CG2 3.98Å
106A91.7Very high95.1Very high81 Ų8138.8 Ų38.867%0.66923%0.225SC*.Hα-helixtrans-65.2-26.4172.700000112.6V102 L104V102-A106 PolarHBondContact O-N 2.83Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 3Å
107K90.9Very high95.1Very high174 Ų17440.7 Ų40.776%0.75724%0.235SC*.Hα-helixtrans-93.5-43.7178.8-64.6-176.4179.5-179.70112.7L104 A105L104-K107 PolarHBondContact O-N 3.47Å; A105-K107 PolarHBondContact O-N 3.2Å
108V93.9Very high95.1Very high81 Ų8147.1 Ų47.149%0.49127%0.266SS..  trans-136.1124.5-173.1-175.20000110L104 C110 I111L104-V108 PolarHBondContact O-N 3.04Å; V108-C110 WeakPolarHBondContact CG1-O 3.48Å; V108-I111 WeakPolarHBondContact O-CG1 3.22Å
109K93.5Very high95.1Very high111 Ų11148 Ų4848%0.48328%0.275SS..SBendtrans-72.9-30.3-179.2-69.5-75.6175.4179.10114V154 D155K109-V154 WeakPolarHBondContact CD-O 3.5Å; K109-V154 PolarHBondContact O-N 3.1Å; K109-D155 PolarHBondContact NZ-O 3.01Å
110C95.3Very high95.1Very high59 Ų5948 Ų4840%0.39928%0.275SS..EExtended strand (participates in β ladder)trans-114.796.5178.3-60.20000110.1V108 L152V108-C110 WeakPolarHBondContact CG1-O 3.48Å; C110-L152 CarbonylContact C-O 3.6Å; C110-L152 WeakPolarHBondContact CA-O 3.07Å
111I96.9Very high95Very high5 Ų550.3 Ų50.33%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-95122-172.4-47.8170.8000109.7L104 A105 V108 V115 L116 R151 L152 V154L104-I111 HydrophobicContact CB-CD1 3.83Å; A105-I111 HydrophobicContact CB-CD1 4.16Å; V108-I111 WeakPolarHBondContact O-CG1 3.22Å; I111-V115 HydrophobicContact CG2-CB 4.31Å; I111-V115 HydrophobicContact CG2-CG1 4.38Å; I111-L116 HydrophobicContact CB-CD1 4.28Å; I111-L116 HydrophobicContact CB-CG 4.43Å; I111-L116 HydrophobicContact CD1-CD2 4.46Å; I111-L116 HydrophobicContact CG2-CD1 4.04Å; I111-L116 HydrophobicContact CG2-CD2 3.95Å; I111-L116 HydrophobicContact CG2-CG 3.67Å; I111-R151 CarbonylContact O-C 3.56Å; I111-R151 WeakPolarHBondContact O-CA 3.39Å; I111-L152 PolarHBondContact N-O 3.48Å; I111-L152 PolarHBondContact O-N 3.08Å; I111-V154 HydrophobicContact CD1-CG2 4.24Å
112P97.2Very high95Very high42 Ų4251 Ų5127%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-65.5144.3173.3-1729.8000112.1A114 V115 L116P112-A114 PolarHBondContact O-N 3.5Å; P112-V115 HydrophobicContact CB-CG2 4.27Å; P112-V115 HydrophobicContact CG-CG2 4.18Å; P112-V115 PolarHBondContact O-N 3.47Å; P112-V115 VanDerWaalsContact O-N 3.13Å; P112-L116 PolarHBondContact O-N 2.72Å
113Y96.8Very high94.9Very high4 Ų461.8 Ų61.82%0.01634%0.338CS..Hα-helixtrans-59.1-35.4177.8-76.78.8000112.8V115 L116 L117 V125 L128 Q147 Q150 R151 L152Y113-V115 VanDerWaalsContact C-N 3.29Å; Y113-V115 PolarHBondContact O-N 3.22Å; Y113-L116 HydrophobicContact CD1-CD1 4.4Å; Y113-L116 PolarHBondContact O-N 2.77Å; Y113-L116 VanDerWaalsContact O-N 3.15Å; Y113-L117 WeakPolarHBondContact O-CB 3.48Å; Y113-L117 VanDerWaalsContact O-CG 3.27Å; Y113-L117 WeakPolarHBondContact O-CG 3.23Å; Y113-L117 PolarHBondContact O-N 2.9Å; Y113-V125 HydrophobicContact CD2-CG1 3.77Å; Y113-V125 HydrophobicContact CD2-CG2 4.31Å; Y113-V125 HydrophobicContact CE2-CG1 3.56Å; Y113-L128 HydrophobicContact CD1-CD2 3.93Å; Y113-L128 HydrophobicContact CD2-CD2 4.18Å; Y113-L128 HydrophobicContact CE1-CD2 4.46Å; Y113-L128 HydrophobicContact CG-CD2 3.77Å; Y113-Q147 VanDerWaalsContact CE2-OE1 3.22Å; Y113-Q150 WeakPolarHBondContact CD1-O 3.49Å; Y113-Q150 HydrophobicContact CD2-CB 4.18Å; Y113-Q150 VanDerWaalsContact CD2-OE1 3.26Å; Y113-Q150 HydrophobicContact CG-CB 4.27Å; Y113-Q150 PolarHBondContact N-O 3.01Å; Y113-R151 WeakPolarHBondContact CE1-O 3.48Å; Y113-L152 HydrophobicContact CE1-CB 4.41Å
114A96Very high94.8Very high71 Ų7163.7 Ų63.759%0.58735%0.347SS*.Hα-helixtrans-56.7-42.917700000112.4P112 L117 E118P112-A114 PolarHBondContact O-N 3.5Å; A114-L117 PolarHBondContact O-N 3.27Å; A114-E118 WeakPolarHBondContact O-CB 3.48Å; A114-E118 PolarHBondContact O-N 3.21Å
115V96.4Very high94.9Very high61 Ų6163.3 Ų63.337%0.3735%0.347SS..Hα-helixtrans-65.8-40.9178.4178.70000110.7L104 I111 P112 Y113 A119L104-V115 HydrophobicContact CD1-CG1 4.44Å; L104-V115 HydrophobicContact CD2-CG1 4.35Å; I111-V115 HydrophobicContact CG2-CB 4.31Å; I111-V115 HydrophobicContact CG2-CG1 4.38Å; P112-V115 HydrophobicContact CB-CG2 4.27Å; P112-V115 HydrophobicContact CG-CG2 4.18Å; P112-V115 PolarHBondContact O-N 3.47Å; P112-V115 VanDerWaalsContact O-N 3.13Å; Y113-V115 VanDerWaalsContact C-N 3.29Å; Y113-V115 PolarHBondContact O-N 3.22Å; V115-A119 VanDerWaalsContact O-CB 3.23Å; V115-A119 WeakPolarHBondContact O-CB 3.46Å; V115-A119 PolarHBondContact O-N 3.48Å
116L95.4Very high94.9Very high0 Ų070.8 Ų70.80%037%0.374CS..Hα-helixtrans-67.9-43.6177.7-67.9164.3000111.8V101 L104 I111 P112 Y113 E118 L120 L128 L152V101-L116 HydrophobicContact CB-CD2 4.41Å; V101-L116 HydrophobicContact CG1-CD2 4.02Å; V101-L116 HydrophobicContact CG2-CD2 3.82Å; L104-L116 HydrophobicContact CD1-CD2 3.97Å; I111-L116 HydrophobicContact CB-CD1 4.28Å; I111-L116 HydrophobicContact CB-CG 4.43Å; I111-L116 HydrophobicContact CD1-CD2 4.46Å; I111-L116 HydrophobicContact CG2-CD1 4.04Å; I111-L116 HydrophobicContact CG2-CD2 3.95Å; I111-L116 HydrophobicContact CG2-CG 3.67Å; P112-L116 PolarHBondContact O-N 2.72Å; Y113-L116 HydrophobicContact CD1-CD1 4.4Å; Y113-L116 PolarHBondContact O-N 2.77Å; Y113-L116 VanDerWaalsContact O-N 3.15Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.07Å; L116-L120 HydrophobicContact CB-CD1 4.43Å; L116-L120 HydrophobicContact CD2-CD1 4.46Å; L116-L120 WeakPolarHBondContact O-CB 3.45Å; L116-L120 WeakPolarHBondContact O-CG 3.27Å; L116-L120 PolarHBondContact O-N 3.47Å; L116-L128 HydrophobicContact CB-CD1 3.62Å; L116-L128 HydrophobicContact CB-CD2 3.89Å; L116-L128 HydrophobicContact CB-CG 4.42Å; L116-L128 HydrophobicContact CD1-CD1 4.1Å; L116-L128 HydrophobicContact CD1-CD2 4.17Å; L116-L128 HydrophobicContact CG-CD1 4.34Å; L116-L152 HydrophobicContact CD1-CB 3.95Å; L116-L152 HydrophobicContact CD1-CD2 4.05Å
117L96Very high95Very high41 Ų4170.8 Ų70.822%0.21536%0.361CS..Hα-helixtrans-60.6-42.4178.2-71.1171.3000111.3Y113 A114 A121 L122 N124 L128Y113-L117 WeakPolarHBondContact O-CB 3.48Å; Y113-L117 VanDerWaalsContact O-CG 3.27Å; Y113-L117 WeakPolarHBondContact O-CG 3.23Å; Y113-L117 PolarHBondContact O-N 2.9Å; A114-L117 PolarHBondContact O-N 3.27Å; L117-A121 WeakPolarHBondContact O-CA 3.49Å; L117-A121 PolarHBondContact O-N 3.04Å; L117-A121 VanDerWaalsContact O-N 3.11Å; L117-L122 HydrophobicContact CD2-CB 3.76Å; L117-L122 PolarHBondContact O-N 2.99Å; L117-N124 WeakPolarHBondContact CD2-O 3.46Å; L117-L128 HydrophobicContact CD2-CB 4.1Å; L117-L128 HydrophobicContact CD2-CD2 4.28Å; L117-L128 HydrophobicContact CG-CD2 4.25Å
118E95.9Very high95.3Very high163 Ų16362.6 Ų62.676%0.76233%0.325SS*.Hα-helixtrans-68.3-53.4177.3-173.5174.8-171.500111.8A114 L116 L120 A121A114-E118 WeakPolarHBondContact O-CB 3.48Å; A114-E118 PolarHBondContact O-N 3.21Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.07Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 3.3Å; E118-A121 PolarHBondContact O-N 3.43Å
119A94.9Very high95.4Very high28 Ų2860.3 Ų60.323%0.23131%0.309CS..Hα-helixtrans-64.4-31-176.200000113.5L104 V115L104-A119 HydrophobicContact CD1-CB 3.98Å; V115-A119 VanDerWaalsContact O-CB 3.23Å; V115-A119 WeakPolarHBondContact O-CB 3.46Å; V115-A119 PolarHBondContact O-N 3.48Å
120L95.2Very high95.5Very high1 Ų157.7 Ų57.71%0.00530%0.3CS..THydrogen-bonded Turntrans-97.5-1.8-178.8-52.9178.7000113.1Y75 R97 V101 L116 E118 L122 L128Y75-L120 WeakPolarHBondContact CD1-O 3.43Å; Y75-L120 VanDerWaalsContact CE1-O 3.24Å; Y75-L120 WeakPolarHBondContact CE1-O 3.47Å; R97-L120 HydrophobicContact CB-CD2 3.9Å; R97-L120 HydrophobicContact CG-CB 4.22Å; R97-L120 HydrophobicContact CG-CD2 4.12Å; R97-L120 PolarHBondContact NE-O 3.37Å; R97-L120 WeakPolarHBondContact O-CD2 3.38Å; V101-L120 HydrophobicContact CG2-CD1 3.61Å; V101-L120 HydrophobicContact CG2-CD2 4.03Å; V101-L120 HydrophobicContact CG2-CG 4.35Å; L116-L120 HydrophobicContact CB-CD1 4.43Å; L116-L120 HydrophobicContact CD2-CD1 4.46Å; L116-L120 WeakPolarHBondContact O-CB 3.45Å; L116-L120 WeakPolarHBondContact O-CG 3.27Å; L116-L120 PolarHBondContact O-N 3.47Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 3.3Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 HydrophobicContact CB-CD1 3.81Å; L120-L122 HydrophobicContact CB-CG 3.76Å; L120-L122 HydrophobicContact CD1-CD1 3.83Å; L120-L122 HydrophobicContact CG-CD1 4.49Å; L120-L122 PolarHBondContact O-N 3.28Å; L120-L128 HydrophobicContact CD1-CD1 3.98Å
121A95.4Very high95.5Very high52 Ų5255.4 Ų55.443%0.4328%0.284SS..THydrogen-bonded Turntrans47.152.2-172.900000113Y75 L79 L117 E118Y75-A121 HydrophobicContact CE1-CB 4.18Å; L79-A121 HydrophobicContact CD1-CB 3.62Å; L117-A121 WeakPolarHBondContact O-CA 3.49Å; L117-A121 PolarHBondContact O-N 3.04Å; L117-A121 VanDerWaalsContact O-N 3.11Å; E118-A121 PolarHBondContact O-N 3.43Å
122L94.2Very high95.4Very high19 Ų1955.5 Ų55.510%0.09929%0.285CS..  trans-98148.8179.3-64.5173.1000111.2L117 L120 Q127 L128 L131L117-L122 HydrophobicContact CD2-CB 3.76Å; L117-L122 PolarHBondContact O-N 2.99Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 HydrophobicContact CB-CD1 3.81Å; L120-L122 HydrophobicContact CB-CG 3.76Å; L120-L122 HydrophobicContact CD1-CD1 3.83Å; L120-L122 HydrophobicContact CG-CD1 4.49Å; L120-L122 PolarHBondContact O-N 3.28Å; L122-Q127 HydrophobicContact CD2-CB 4.37Å; L122-L128 HydrophobicContact CD1-CB 3.93Å; L122-L128 HydrophobicContact CD1-CD1 3.94Å; L122-L131 HydrophobicContact CD1-CD1 3.63Å; L122-L131 HydrophobicContact CD2-CD1 3.65Å; L122-L131 HydrophobicContact CG-CD1 4.24Å
123R92.6Very high95.3Very high231 Ų23156.9 Ų56.987%0.87229%0.289SS*.SBendtrans-90.3-29.9-173-61.7-177.4-174.9-179.51.7113.5
124N93.9Very high95.2Very high68 Ų6861.1 Ų61.136%0.36431%0.309SS..SBendtrans-147.6162.2-174.163.850.6000111.9L117 R126 Q127 L128L117-N124 WeakPolarHBondContact CD2-O 3.46Å; N124-R126 VanDerWaalsContact C-N 3.29Å; N124-R126 PolarHBondContact O-N 3.2Å; N124-R126 PolarHBondContact OD1-N 3.42Å; N124-Q127 PolarHBondContact O-N 3.19Å; N124-Q127 WeakPolarHBondContact OD1-CB 3.36Å; N124-Q127 VanDerWaalsContact OD1-CG 3.31Å; N124-Q127 WeakPolarHBondContact OD1-CG 3.3Å; N124-Q127 PolarHBondContact OD1-N 3.28Å; N124-L128 PolarHBondContact O-N 2.94Å
125V95.1Very high95.1Very high36 Ų3657.8 Ų57.822%0.21828%0.282CS..Hα-helixtrans-63.9-34.2-179.5178.10000111.7Y113 Q127 L128 E129Y113-V125 HydrophobicContact CD2-CG1 3.77Å; Y113-V125 HydrophobicContact CD2-CG2 4.31Å; Y113-V125 HydrophobicContact CE2-CG1 3.56Å; V125-Q127 PolarHBondContact O-N 3.34Å; V125-L128 WeakPolarHBondContact O-CB 3.49Å; V125-L128 PolarHBondContact O-N 3.13Å; V125-L128 VanDerWaalsContact O-N 3.13Å; V125-E129 HydrophobicContact CG1-CG 4.05Å; V125-E129 WeakPolarHBondContact CG1-OE1 3.27Å; V125-E129 WeakPolarHBondContact O-CG 3.37Å; V125-E129 PolarHBondContact O-N 2.87Å
126R95.1Very high95Very high158 Ų15856.9 Ų56.960%0.59628%0.276SS*.Hα-helixtrans-60.2-47.2-179.4179.964.5-163.4-164.47.7112.3N124 L128 E129 D130N124-R126 VanDerWaalsContact C-N 3.29Å; N124-R126 PolarHBondContact O-N 3.2Å; N124-R126 PolarHBondContact OD1-N 3.42Å; R126-L128 VanDerWaalsContact C-N 3.27Å; R126-L128 PolarHBondContact O-N 3.44Å; R126-E129 PolarHBondContact O-N 3.04Å; R126-D130 IonicContact CZ-OD1 3.52Å; R126-D130 VanDerWaalsContact CZ-OD1 3.27Å; R126-D130 IonicContact CZ-OD2 3.27Å; R126-D130 IonicContact NE-OD1 3.41Å; R126-D130 PolarHBondContact NE-OD1 3.06Å; R126-D130 IonicContact NE-OD2 3.18Å; R126-D130 PolarHBondContact NE-OD2 2.7Å; R126-D130 IonicContact NH2-OD1 2.78Å; R126-D130 PolarHBondContact NH2-OD1 3.15Å; R126-D130 IonicContact NH2-OD2 2.82Å; R126-D130 WeakPolarHBondContact O-CB 3.36Å; R126-D130 PolarHBondContact O-N 2.9Å
127Q95.3Very high94.9Very high82 Ų8266.1 Ų66.138%0.38331%0.312SS..Hα-helixtrans-62.5-36.7176.4-73.1174.7-12.600112L122 N124 V125 L131L122-Q127 HydrophobicContact CD2-CB 4.37Å; N124-Q127 PolarHBondContact O-N 3.19Å; N124-Q127 WeakPolarHBondContact OD1-CB 3.36Å; N124-Q127 VanDerWaalsContact OD1-CG 3.31Å; N124-Q127 WeakPolarHBondContact OD1-CG 3.3Å; N124-Q127 PolarHBondContact OD1-N 3.28Å; V125-Q127 PolarHBondContact O-N 3.34Å; Q127-L131 WeakPolarHBondContact O-CB 3.48Å; Q127-L131 WeakPolarHBondContact O-CG 3.5Å; Q127-L131 PolarHBondContact O-N 3.33Å; Q127-L131 VanDerWaalsContact O-N 3.08Å
128L95.8Very high94.6Very high1 Ų166 Ų661%0.00532%0.317CS..Hα-helixtrans-64.1-49175173.263.3000111.1Y113 L116 L117 L120 L122 N124 V125 R126 L131 V132Y113-L128 HydrophobicContact CD1-CD2 3.93Å; Y113-L128 HydrophobicContact CD2-CD2 4.18Å; Y113-L128 HydrophobicContact CE1-CD2 4.46Å; Y113-L128 HydrophobicContact CG-CD2 3.77Å; L116-L128 HydrophobicContact CB-CD1 3.62Å; L116-L128 HydrophobicContact CB-CD2 3.89Å; L116-L128 HydrophobicContact CB-CG 4.42Å; L116-L128 HydrophobicContact CD1-CD1 4.1Å; L116-L128 HydrophobicContact CD1-CD2 4.17Å; L116-L128 HydrophobicContact CG-CD1 4.34Å; L117-L128 HydrophobicContact CD2-CB 4.1Å; L117-L128 HydrophobicContact CD2-CD2 4.28Å; L117-L128 HydrophobicContact CG-CD2 4.25Å; L120-L128 HydrophobicContact CD1-CD1 3.98Å; L122-L128 HydrophobicContact CD1-CB 3.93Å; L122-L128 HydrophobicContact CD1-CD1 3.94Å; N124-L128 PolarHBondContact O-N 2.94Å; V125-L128 WeakPolarHBondContact O-CB 3.49Å; V125-L128 PolarHBondContact O-N 3.13Å; V125-L128 VanDerWaalsContact O-N 3.13Å; R126-L128 VanDerWaalsContact C-N 3.27Å; R126-L128 PolarHBondContact O-N 3.44Å; L128-L131 PolarHBondContact O-N 3.25Å; L128-V132 HydrophobicContact CD1-CG2 4.14Å; L128-V132 VanDerWaalsContact O-CG2 3.31Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 2.82Å
129E95.7Very high94.3Very high33 Ų3361.6 Ų61.615%0.15430%0.299CS..Hα-helixtrans-62.3-46.1179.5-69178.417300111.5V125 R126 L131 V132 I133 L145 Q147V125-E129 HydrophobicContact CG1-CG 4.05Å; V125-E129 WeakPolarHBondContact CG1-OE1 3.27Å; V125-E129 WeakPolarHBondContact O-CG 3.37Å; V125-E129 PolarHBondContact O-N 2.87Å; R126-E129 PolarHBondContact O-N 3.04Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3.42Å; E129-V132 PolarHBondContact O-N 3.15Å; E129-I133 WeakPolarHBondContact O-CB 3.49Å; E129-I133 WeakPolarHBondContact O-CD1 3.22Å; E129-I133 WeakPolarHBondContact O-CG1 3.04Å; E129-I133 PolarHBondContact O-N 2.82Å; E129-L145 HydrophobicContact CB-CD2 4.05Å; E129-L145 HydrophobicContact CG-CD2 3.73Å; E129-Q147 PolarHBondContact OE1-NE2 3.33Å; E129-Q147 PolarHBondContact OE1-OE1 3.45Å; E129-Q147 VanDerWaalsContact OE1-OE1 3.14Å
130D96.2Very high94.2Very high56 Ų5660.3 Ų60.330%0.29929%0.288SS..Hα-helixtrans-59.7-41.5177.9-70-34.1000110.9R126 I133 E134R126-D130 IonicContact CZ-OD1 3.52Å; R126-D130 VanDerWaalsContact CZ-OD1 3.27Å; R126-D130 IonicContact CZ-OD2 3.27Å; R126-D130 IonicContact NE-OD1 3.41Å; R126-D130 PolarHBondContact NE-OD1 3.06Å; R126-D130 IonicContact NE-OD2 3.18Å; R126-D130 PolarHBondContact NE-OD2 2.7Å; R126-D130 IonicContact NH2-OD1 2.78Å; R126-D130 PolarHBondContact NH2-OD1 3.15Å; R126-D130 IonicContact NH2-OD2 2.82Å; R126-D130 WeakPolarHBondContact O-CB 3.36Å; R126-D130 PolarHBondContact O-N 2.9Å; D130-I133 PolarHBondContact O-N 2.84Å; D130-E134 WeakPolarHBondContact O-CG 3.35Å; D130-E134 PolarHBondContact O-N 2.98Å
131L95.8Very high94.2Very high12 Ų1260.5 Ų60.56%0.06329%0.289CS..Hα-helixtrans-65.5-41174.5-81.9168.9000113.5N94 H98 L122 Q127 L128 E129 I133 E134 A135N94-L131 HydrophobicContact CB-CD2 3.73Å; N94-L131 VanDerWaalsContact CG-CD2 3.43Å; H98-L131 PolarHBondContact NE2-O 2.92Å; L122-L131 HydrophobicContact CD1-CD1 3.63Å; L122-L131 HydrophobicContact CD2-CD1 3.65Å; L122-L131 HydrophobicContact CG-CD1 4.24Å; Q127-L131 WeakPolarHBondContact O-CB 3.48Å; Q127-L131 WeakPolarHBondContact O-CG 3.5Å; Q127-L131 PolarHBondContact O-N 3.33Å; Q127-L131 VanDerWaalsContact O-N 3.08Å; L128-L131 PolarHBondContact O-N 3.25Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3.42Å; L131-I133 VanDerWaalsContact C-N 3.31Å; L131-E134 PolarHBondContact O-N 3.35Å; L131-A135 WeakPolarHBondContact O-CB 3.43Å; L131-A135 PolarHBondContact O-N 3.15Å
132V95.4Very high94.1Very high6 Ų663.2 Ų63.24%0.03629%0.288CS..Hα-helixtrans-66.1-39.9176.9171.70000110.1L128 E129 A135 V136 L145 L152L128-V132 HydrophobicContact CD1-CG2 4.14Å; L128-V132 VanDerWaalsContact O-CG2 3.31Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 2.82Å; E129-V132 PolarHBondContact O-N 3.15Å; V132-A135 PolarHBondContact O-N 3.07Å; V132-V136 WeakPolarHBondContact O-CG2 3.48Å; V132-V136 PolarHBondContact O-N 3.37Å; V132-L145 HydrophobicContact CB-CD2 4.28Å; V132-L145 HydrophobicContact CG1-CD1 4.01Å; V132-L145 HydrophobicContact CG1-CD2 4.12Å; V132-L145 HydrophobicContact CG1-CG 4.19Å; V132-L152 HydrophobicContact CG1-CD1 3.74Å; V132-L152 HydrophobicContact CG1-CD2 4.18Å; V132-L152 HydrophobicContact CG2-CD2 4.04Å
133I95.3Very high94.1Very high71 Ų7163.7 Ų63.736%0.36430%0.298SS..Hα-helixtrans-60.8-47.9174.5-68.4163.5000109.8E129 D130 L131 A135 V136 Y137E129-I133 WeakPolarHBondContact O-CB 3.49Å; E129-I133 WeakPolarHBondContact O-CD1 3.22Å; E129-I133 WeakPolarHBondContact O-CG1 3.04Å; E129-I133 PolarHBondContact O-N 2.82Å; D130-I133 PolarHBondContact O-N 2.84Å; L131-I133 VanDerWaalsContact C-N 3.31Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 3.14Å; I133-V136 PolarHBondContact O-N 3.35Å; I133-V136 VanDerWaalsContact O-N 3.13Å; I133-Y137 HydrophobicContact CG2-CD2 3.7Å; I133-Y137 HydrophobicContact CG2-CE2 3.62Å; I133-Y137 WeakPolarHBondContact O-CD2 3.39Å; I133-Y137 PolarHBondContact O-N 3.16Å
134E94.4Very high94.2Very high94 Ų9455.4 Ų55.444%0.43928%0.275SS..Hα-helixtrans-56.4-43.6174.9-76.4-178.8-168.800112.3H98 D130 L131 V136 Y137 A138H98-E134 IonicContact CE1-OE2 2.93Å; D130-E134 WeakPolarHBondContact O-CG 3.35Å; D130-E134 PolarHBondContact O-N 2.98Å; L131-E134 PolarHBondContact O-N 3.35Å; E134-V136 VanDerWaalsContact C-N 3.34Å; E134-V136 PolarHBondContact O-N 2.95Å; E134-Y137 PolarHBondContact O-N 2.95Å; E134-A138 VanDerWaalsContact O-CB 3.32Å; E134-A138 WeakPolarHBondContact O-CB 3.41Å; E134-A138 PolarHBondContact O-N 2.86Å
135A93.8Very high94.2Very high1 Ų155.2 Ų55.21%0.00827%0.274CS..Hα-helixtrans-63.6-37.2177.200000112.8H98 L131 V132 I133 D139 V140 L141H98-A135 HydrophobicContact CB-CB 4.31Å; L131-A135 WeakPolarHBondContact O-CB 3.43Å; L131-A135 PolarHBondContact O-N 3.15Å; V132-A135 PolarHBondContact O-N 3.07Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 3.14Å; A135-D139 PolarHBondContact O-N 2.93Å; A135-V140 HydrophobicContact CB-CB 4.45Å; A135-V140 WeakPolarHBondContact O-CB 3.41Å; A135-V140 PolarHBondContact O-N 3.48Å; A135-L141 HydrophobicContact CB-CD1 3.87Å; A135-L141 HydrophobicContact CB-CG 4.31Å; A135-L141 PolarHBondContact O-N 3.06Å
136V94Very high94.2Very high41 Ų4155.4 Ų55.425%0.24827%0.274CS..Hα-helixtrans-69.5-42.4175.7172.80000111.1V132 I133 E134 A138 D139 L141V132-V136 WeakPolarHBondContact O-CG2 3.48Å; V132-V136 PolarHBondContact O-N 3.37Å; I133-V136 PolarHBondContact O-N 3.35Å; I133-V136 VanDerWaalsContact O-N 3.13Å; E134-V136 VanDerWaalsContact C-N 3.34Å; E134-V136 PolarHBondContact O-N 2.95Å; V136-A138 VanDerWaalsContact C-N 3.27Å; V136-A138 PolarHBondContact O-N 3.47Å; V136-D139 PolarHBondContact O-N 3.43Å; V136-L141 WeakPolarHBondContact CA-O 3.37Å; V136-L141 HydrophobicContact CG2-CB 4.28Å
137Y92.2Very high94Very high194 Ų19452.2 Ų52.276%0.76127%0.266SS*.Hα-helixtrans-65.2-31.4176.4-89-113.1000112.6I133 E134 D139I133-Y137 HydrophobicContact CG2-CD2 3.7Å; I133-Y137 HydrophobicContact CG2-CE2 3.62Å; I133-Y137 WeakPolarHBondContact O-CD2 3.39Å; I133-Y137 PolarHBondContact O-N 3.16Å; E134-Y137 PolarHBondContact O-N 2.95Å; Y137-D139 PolarHBondContact O-N 3.12Å
138A90.1Very high93.9Very high39 Ų3959.2 Ų59.232%0.32229%0.289SS..THydrogen-bonded Turntrans-82.28.6174.100000113.6Y41 E134 V136 V140Y41-A138 HydrophobicContact CE2-CB 4.32Å; E134-A138 VanDerWaalsContact O-CB 3.32Å; E134-A138 WeakPolarHBondContact O-CB 3.41Å; E134-A138 PolarHBondContact O-N 2.86Å; V136-A138 VanDerWaalsContact C-N 3.27Å; V136-A138 PolarHBondContact O-N 3.47Å; A138-V140 HydrophobicContact CB-CG2 3.93Å; A138-V140 PolarHBondContact O-N 3.33Å; A138-V140 VanDerWaalsContact O-N 3.13Å
139D91.1Very high93.9Very high71 Ų7163.6 Ų63.638%0.3831%0.312SS..THydrogen-bonded Turntrans57.721.9-178.4-68.7-35.9000115.2A135 V136 Y137 R142 I158A135-D139 PolarHBondContact O-N 2.93Å; V136-D139 PolarHBondContact O-N 3.43Å; Y137-D139 PolarHBondContact O-N 3.12Å; D139-R142 IonicContact OD1-CZ 3.75Å; D139-R142 IonicContact OD1-NH1 3.71Å; D139-R142 PolarHBondContact OD1-NH1 3.46Å; D139-R142 IonicContact OD1-NH2 4Å; D139-R142 PolarHBondContact OD1-NH2 2.74Å; D139-I158 WeakPolarHBondContact O-CG2 3.44Å
140V92.8Very high93.9Very high1 Ų165.8 Ų65.81%0.00632%0.322CS..SBendtrans-80.1-37.5178.4-179.60000110.7Y41 V102 A135 A138 I158Y41-V140 HydrophobicContact CD1-CG2 4.08Å; Y41-V140 HydrophobicContact CD2-CG2 3.69Å; Y41-V140 HydrophobicContact CE1-CG2 3.73Å; Y41-V140 HydrophobicContact CE2-CG2 3.31Å; Y41-V140 HydrophobicContact CG-CG2 4.05Å; V102-V140 HydrophobicContact CG2-CG1 3.32Å; A135-V140 HydrophobicContact CB-CB 4.45Å; A135-V140 WeakPolarHBondContact O-CB 3.41Å; A135-V140 PolarHBondContact O-N 3.48Å; A138-V140 HydrophobicContact CB-CG2 3.93Å; A138-V140 PolarHBondContact O-N 3.33Å; A138-V140 VanDerWaalsContact O-N 3.13Å; V140-I158 HydrophobicContact CB-CD1 4.27Å; V140-I158 HydrophobicContact CG1-CD1 3.79Å; V140-I158 HydrophobicContact CG1-CG1 3.87Å; V140-I158 HydrophobicContact CG2-CD1 4.29Å; V140-I158 PolarHBondContact O-N 2.95Å
141L93.6Very high93.8Very high4 Ų468.2 Ų68.22%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-129.5152.2-178.1-65.9172.7000110.7V101 V102 A105 A135 V136 V154V101-L141 HydrophobicContact CB-CD1 4.11Å; V101-L141 HydrophobicContact CG1-CD1 3.51Å; V102-L141 HydrophobicContact CG2-CD2 3.79Å; V102-L141 HydrophobicContact CG2-CG 4.23Å; A105-L141 HydrophobicContact CB-CD2 4.39Å; A135-L141 HydrophobicContact CB-CD1 3.87Å; A135-L141 HydrophobicContact CB-CG 4.31Å; A135-L141 PolarHBondContact O-N 3.06Å; V136-L141 WeakPolarHBondContact CA-O 3.37Å; V136-L141 HydrophobicContact CG2-CB 4.28Å; L141-V154 HydrophobicContact CD2-CG1 4.18Å
142R94.2Very high93.9Very high109 Ų10967.9 Ų67.941%0.41133%0.325SS..EExtended strand (participates in β ladder)trans-131.8129.8168.5-65.2-85.8-174.9-94.52.7107.1D139 D155 Y156D139-R142 IonicContact OD1-CZ 3.75Å; D139-R142 IonicContact OD1-NH1 3.71Å; D139-R142 PolarHBondContact OD1-NH1 3.46Å; D139-R142 IonicContact OD1-NH2 4Å; D139-R142 PolarHBondContact OD1-NH2 2.74Å; R142-D155 PolarHBondContact O-N 3.37Å; R142-Y156 HydrophobicContact CB-CD1 4.39Å; R142-Y156 HydrophobicContact CG-CD1 3.93Å; R142-Y156 PolarHBondContact N-O 3.25Å; R142-Y156 PolarHBondContact O-N 2.97Å; R142-Y156 VanDerWaalsContact O-N 3.11Å
143G93.9Very high93.9Very high29 Ų2971.3 Ų71.330%0.29934%0.341SS..EExtended strand (participates in β ladder)trans169-172.8-176.600000112.4E153G143-E153 CarbonylContact C-O 3.55Å; G143-E153 WeakPolarHBondContact CA-O 3.35Å
144S94Very high94Very high57 Ų5768.3 Ų68.340%0.39933%0.326SS..EExtended strand (participates in β ladder)trans-132151-179.971.80000111.8E153S144-E153 PolarHBondContact N-O 3.22Å; S144-E153 PolarHBondContact O-N 3.27Å
145L95.4Very high94Very high65 Ų6569.3 Ų69.334%0.3433%0.334SS..EExtended strand (participates in β ladder)trans-99.8119178.5-65.891.6000109E129 V132 L152E129-L145 HydrophobicContact CB-CD2 4.05Å; E129-L145 HydrophobicContact CG-CD2 3.73Å; V132-L145 HydrophobicContact CB-CD2 4.28Å; V132-L145 HydrophobicContact CG1-CD1 4.01Å; V132-L145 HydrophobicContact CG1-CD2 4.12Å; V132-L145 HydrophobicContact CG1-CG 4.19Å; L145-L152 HydrophobicContact CG-CD1 4.25Å
146D93.9Very high94Very high39 Ų3975.4 Ų75.421%0.20936%0.358CS..EExtended strand (participates in β ladder)trans-99.794.5172.8-173.9-16.1000109.9R148 N149 Q150 R151D146-R148 VanDerWaalsContact C-N 3.27Å; D146-R148 PolarHBondContact O-N 2.91Å; D146-R148 WeakPolarHBondContact OD1-CA 3.29Å; D146-R148 WeakPolarHBondContact OD1-CB 3.38Å; D146-R148 PolarHBondContact OD1-N 3.13Å; D146-N149 PolarHBondContact OD1-N 2.94Å; D146-N149 WeakPolarHBondContact OD2-CB 3.32Å; D146-N149 PolarHBondContact OD2-ND2 3.39Å; D146-Q150 WeakPolarHBondContact O-CA 3.4Å; D146-Q150 PolarHBondContact O-N 3.45Å; D146-R151 PolarHBondContact N-O 3.07Å; D146-R151 PolarHBondContact O-N 2.9Å
147Q91.5Very high93.9Very high92 Ų9274.4 Ų74.443%0.4335%0.353SS..THydrogen-bonded Turntrans-67.9-26.8179-171.666.5-45.800112.9Y113 E129 Q150Y113-Q147 VanDerWaalsContact CE2-OE1 3.22Å; E129-Q147 PolarHBondContact OE1-NE2 3.33Å; E129-Q147 PolarHBondContact OE1-OE1 3.45Å; E129-Q147 VanDerWaalsContact OE1-OE1 3.14Å; Q147-Q150 PolarHBondContact O-NE2 2.86Å
148R94.1Very high93.9Very high229 Ų22966.7 Ų66.786%0.86432%0.324SS*.THydrogen-bonded Turntrans-71.8-43.8-179.7-179.6-179.5177.7175.30.1110.7D146D146-R148 VanDerWaalsContact C-N 3.27Å; D146-R148 PolarHBondContact O-N 2.91Å; D146-R148 WeakPolarHBondContact OD1-CA 3.29Å; D146-R148 WeakPolarHBondContact OD1-CB 3.38Å; D146-R148 PolarHBondContact OD1-N 3.13Å
149N94.2Very high93.7Very high92 Ų9267.5 Ų67.549%0.49234%0.337SS..THydrogen-bonded Turntrans-92.9-0.7-179.6-65.9-49.7000113.4D146 R151D146-N149 PolarHBondContact OD1-N 2.94Å; D146-N149 WeakPolarHBondContact OD2-CB 3.32Å; D146-N149 PolarHBondContact OD2-ND2 3.39Å; N149-R151 WeakPolarHBondContact O-CG 3.43Å
150Q95.4Very high93.6Very high79 Ų7966.2 Ų66.237%0.36933%0.326SS..THydrogen-bonded Turntrans56.649.9180-63.5-73.4-61.100111.6Y113 D146 Q147Y113-Q150 WeakPolarHBondContact CD1-O 3.49Å; Y113-Q150 HydrophobicContact CD2-CB 4.18Å; Y113-Q150 VanDerWaalsContact CD2-OE1 3.26Å; Y113-Q150 HydrophobicContact CG-CB 4.27Å; Y113-Q150 PolarHBondContact N-O 3.01Å; D146-Q150 WeakPolarHBondContact O-CA 3.4Å; D146-Q150 PolarHBondContact O-N 3.45Å; Q147-Q150 PolarHBondContact O-NE2 2.86Å
151R95.9Very high93.2Very high108 Ų10867.3 Ų67.341%0.40833%0.332SS..EExtended strand (participates in β ladder)trans-137.3145.7-174.3-72169.8-168.6-86.6-1.5111.8I111 Y113 D146 N149I111-R151 CarbonylContact O-C 3.56Å; I111-R151 WeakPolarHBondContact O-CA 3.39Å; Y113-R151 WeakPolarHBondContact CE1-O 3.48Å; D146-R151 PolarHBondContact N-O 3.07Å; D146-R151 PolarHBondContact O-N 2.9Å; N149-R151 WeakPolarHBondContact O-CG 3.43Å
152L96.3Very high92.5Very high5 Ų571.2 Ų71.23%0.02635%0.352CS..EExtended strand (participates in β ladder)trans-98.9119.2166.3173.960.3000108.3V101 C110 I111 Y113 L116 V132 L145 V154V101-L152 HydrophobicContact CG1-CD2 3.97Å; C110-L152 CarbonylContact C-O 3.6Å; C110-L152 WeakPolarHBondContact CA-O 3.07Å; I111-L152 PolarHBondContact N-O 3.48Å; I111-L152 PolarHBondContact O-N 3.08Å; Y113-L152 HydrophobicContact CE1-CB 4.41Å; L116-L152 HydrophobicContact CD1-CB 3.95Å; L116-L152 HydrophobicContact CD1-CD2 4.05Å; V132-L152 HydrophobicContact CG1-CD1 3.74Å; V132-L152 HydrophobicContact CG1-CD2 4.18Å; V132-L152 HydrophobicContact CG2-CD2 4.04Å; L145-L152 HydrophobicContact CG-CD1 4.25Å; L152-V154 HydrophobicContact CD1-CG2 4.48Å; L152-V154 HydrophobicContact CD2-CG2 3.95Å; L152-V154 HydrophobicContact CG-CG2 3.76Å
153E96.3Very high91.8Very high78 Ų7869.7 Ų69.736%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-95.3116172.6-61.9-172.9173.200108.6G143 S144G143-E153 CarbonylContact C-O 3.55Å; G143-E153 WeakPolarHBondContact CA-O 3.35Å; S144-E153 PolarHBondContact N-O 3.22Å; S144-E153 PolarHBondContact O-N 3.27Å
154V96.5Very high91.4Very high7 Ų776.1 Ų76.14%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-105.7112.1-177.4-172.30000109.7A105 K109 I111 L141 L152 Y156A105-V154 HydrophobicContact CB-CB 4.13Å; A105-V154 HydrophobicContact CB-CG1 3.85Å; A105-V154 HydrophobicContact CB-CG2 3.98Å; K109-V154 WeakPolarHBondContact CD-O 3.5Å; K109-V154 PolarHBondContact O-N 3.1Å; I111-V154 HydrophobicContact CD1-CG2 4.24Å; L141-V154 HydrophobicContact CD2-CG1 4.18Å; L152-V154 HydrophobicContact CD1-CG2 4.48Å; L152-V154 HydrophobicContact CD2-CG2 3.95Å; L152-V154 HydrophobicContact CG-CG2 3.76Å; V154-Y156 WeakPolarHBondContact CG1-O 3.47Å
155D94.6Very high91.1Very high116 Ų11680 Ų8062%0.6238%0.377SS*.EExtended strand (participates in β ladder)trans-74.6-50.5174.4-60.9-39.2000109.8K109 R142K109-D155 PolarHBondContact NZ-O 3.01Å; R142-D155 PolarHBondContact O-N 3.37Å
156Y93.6Very high90.6Very high128 Ų12880.7 Ų80.750%0.50238%0.381SS..EExtended strand (participates in β ladder)trans-141.9145-176.4168.5-89.3000111.3R142 V154 I158R142-Y156 HydrophobicContact CB-CD1 4.39Å; R142-Y156 HydrophobicContact CG-CD1 3.93Å; R142-Y156 PolarHBondContact N-O 3.25Å; R142-Y156 PolarHBondContact O-N 2.97Å; R142-Y156 VanDerWaalsContact O-N 3.11Å; V154-Y156 WeakPolarHBondContact CG1-O 3.47Å; Y156-I158 HydrophobicContact CE1-CG2 4.08Å
157S93.4Very high90.5Very high20 Ų2083.5 Ų83.514%0.1440%0.396CS..EExtended strand (participates in β ladder)trans-134.9143.6172.358.70000108.2
158I91.3Very high90.5Very high33 Ų3384.3 Ų84.317%0.16940%0.403CS..PPolyproline II helixtrans-61.3154.9171.864.2170.6000110.9Y41 V102 D139 V140 Y156Y41-I158 HydrophobicContact CG-CD1 4.1Å; V102-I158 HydrophobicContact CG1-CG1 4.5Å; V102-I158 WeakPolarHBondContact CG1-O 3.31Å; V102-I158 HydrophobicContact CG2-CG1 4.33Å; D139-I158 WeakPolarHBondContact O-CG2 3.44Å; V140-I158 HydrophobicContact CB-CD1 4.27Å; V140-I158 HydrophobicContact CG1-CD1 3.79Å; V140-I158 HydrophobicContact CG1-CG1 3.87Å; V140-I158 HydrophobicContact CG2-CD1 4.29Å; V140-I158 PolarHBondContact O-N 2.95Å; Y156-I158 HydrophobicContact CE1-CG2 4.08Å
159G86.6Confident90.4Very high56 Ų5675.4 Ų75.458%0.57738%0.378SS*.PPolyproline II helixtrans-74.4128169.100000110.4
160R88.1Confident90.3Very high43 Ų4374 Ų7416%0.16237%0.37CS..PPolyproline II helixtrans-86164.3164.3-164.3-178.666.9175.71.9109.7A71 Y72 G73 L99 T103 I162A71-R160 WeakPolarHBondContact O-CD 3.34Å; A71-R160 PolarHBondContact O-NE 2.85Å; Y72-R160 VanDerWaalsContact C-NH2 3.31Å; Y72-R160 PolarHBondContact O-NH2 2.91Å; G73-R160 PolarHBondContact O-NH1 3.24Å; L99-R160 HydrophobicContact CD2-CG 4.14Å; T103-R160 PolarHBondContact OG1-NH1 3.37Å; R160-I162 WeakPolarHBondContact O-CG1 3.49Å
161D84.1Confident90.3Very high24 Ų2473 Ų7313%0.12838%0.375CS..PPolyproline II helixtrans-52.4140170.5-61.2-74000112.6V42 F43 G44 A71 Y72V42-D161 WeakPolarHBondContact CA-OD2 3.18Å; V42-D161 WeakPolarHBondContact CG1-OD1 3.34Å; F43-D161 PolarHBondContact N-OD2 3.21Å; G44-D161 WeakPolarHBondContact CA-OD1 3.12Å; G44-D161 PolarHBondContact N-OD1 2.96Å; G44-D161 PolarHBondContact N-OD2 3.03Å; A71-D161 HydrophobicContact CB-CB 4.27Å; Y72-D161 HydrophobicContact CD1-CB 4.24Å; Y72-D161 HydrophobicContact CE1-CB 3.79Å
162I79.4Confident90.3Very high87 Ų8775.4 Ų75.445%0.44638%0.384SS..  trans-118.8137.6-176.7-51.5-172.9000108Y72 R160 D166 I170Y72-I162 VanDerWaalsContact CE1-C 3.5Å; R160-I162 WeakPolarHBondContact O-CG1 3.49Å; I162-D166 HydrophobicContact CG2-CB 3.79Å; I162-I170 HydrophobicContact CD1-CD1 3.42Å; I162-I170 VanDerWaalsContact CD1-CD1 3.42Å; I162-I170 HydrophobicContact CG2-CD1 3.97Å
163Q80.5Confident90.3Very high77 Ų7779 Ų7936%0.3641%0.406SS..  trans-70.6145.1174.2-66.4-169.3-6.800110.1Y72 Q165 D166Y72-Q163 HydrophobicContact CD1-CG 3.47Å; Y72-Q163 VanDerWaalsContact CD1-CG 3.47Å; Y72-Q163 HydrophobicContact CD2-CG 4.03Å; Y72-Q163 HydrophobicContact CE1-CB 4.42Å; Y72-Q163 HydrophobicContact CE1-CG 3.63Å; Y72-Q163 HydrophobicContact CE2-CG 4.14Å; Y72-Q163 HydrophobicContact CG-CG 3.69Å; Q163-Q165 PolarHBondContact O-N 3Å; Q163-Q165 VanDerWaalsContact O-N 3.08Å; Q163-D166 PolarHBondContact O-N 2.8Å
164R83.9Confident90.3Very high164 Ų16479.8 Ų79.862%0.61941%0.413SS*.G310 helixtrans-59.3-26.9-179.2-66.8-174.5-177.3173.12.5112.3D48 D166 L167D48-R164 IonicContact OD1-NH2 2.58Å; D48-R164 PolarHBondContact OD1-NH2 3.11Å; D48-R164 IonicContact OD2-CZ 3.16Å; D48-R164 IonicContact OD2-NH2 3.11Å; D48-R164 PolarHBondContact OD2-NH2 3.36Å; R164-D166 VanDerWaalsContact C-N 3.29Å; R164-D166 PolarHBondContact O-N 3.12Å; R164-L167 HydrophobicContact CB-CD1 4.46Å; R164-L167 WeakPolarHBondContact O-CB 3.4Å; R164-L167 WeakPolarHBondContact O-CG 3.41Å; R164-L167 PolarHBondContact O-N 2.9Å
165Q87.6Confident90.3Very high138 Ų13884.9 Ų84.965%0.64544%0.436SS*.G310 helixtrans-63.4-33.6176.1-65.480.7-3.600112.5Q163Q163-Q165 PolarHBondContact O-N 3Å; Q163-Q165 VanDerWaalsContact O-N 3.08Å
166D86.4Confident90.5Very high80 Ų8086 Ų8643%0.42844%0.437SS..G310 helixtrans-86-5.7-175.6-64.1-38.9000113.3I162 Q163 R164 N168 A169 I170I162-D166 HydrophobicContact CG2-CB 3.79Å; Q163-D166 PolarHBondContact O-N 2.8Å; R164-D166 VanDerWaalsContact C-N 3.29Å; R164-D166 PolarHBondContact O-N 3.12Å; D166-N168 PolarHBondContact O-N 3.37Å; D166-A169 WeakPolarHBondContact O-CA 3.48Å; D166-A169 VanDerWaalsContact O-CB 3.32Å; D166-A169 WeakPolarHBondContact O-CB 3.41Å; D166-A169 PolarHBondContact O-N 3Å; D166-I170 PolarHBondContact O-N 3.37Å
167L90.1Very high90.7Very high98 Ų9888.5 Ų88.551%0.51345%0.446SS..Hα-helixtrans-56.9-35.8175.7-70.6175.2000112.2R164 A169 I170 A171R164-L167 HydrophobicContact CB-CD1 4.46Å; R164-L167 WeakPolarHBondContact O-CB 3.4Å; R164-L167 WeakPolarHBondContact O-CG 3.41Å; R164-L167 PolarHBondContact O-N 2.9Å; L167-A169 VanDerWaalsContact C-N 3.29Å; L167-A169 PolarHBondContact O-N 3.11Å; L167-I170 HydrophobicContact CD2-CD1 4.47Å; L167-I170 PolarHBondContact O-N 2.92Å; L167-A171 PolarHBondContact O-N 3.14Å
168N93.1Very high90.9Very high109 Ų10990.4 Ų90.458%0.58346%0.459SS*.Hα-helixtrans-68.2-28.1175.9-69.3-41.5000112.9D166 R172D166-N168 PolarHBondContact O-N 3.37Å; N168-R172 WeakPolarHBondContact O-CB 3.24Å; N168-R172 VanDerWaalsContact O-CG 3.31Å; N168-R172 WeakPolarHBondContact O-CG 3.33Å; N168-R172 PolarHBondContact O-N 3.09Å; N168-R172 PolarHBondContact O-NE 3.14Å
169A92Very high91.2Very high42 Ų4291.9 Ų91.935%0.34747%0.469SS..Hα-helixtrans-70.5-43.4174.100000110.1D166 L167 R172 T173D166-A169 WeakPolarHBondContact O-CA 3.48Å; D166-A169 VanDerWaalsContact O-CB 3.32Å; D166-A169 WeakPolarHBondContact O-CB 3.41Å; D166-A169 PolarHBondContact O-N 3Å; L167-A169 VanDerWaalsContact C-N 3.29Å; L167-A169 PolarHBondContact O-N 3.11Å; A169-R172 PolarHBondContact O-N 2.95Å; A169-T173 WeakPolarHBondContact O-CG2 3.32Å; A169-T173 PolarHBondContact O-N 2.91Å; A169-T173 PolarHBondContact O-OG1 3.12Å
170I91.7Very high91.7Very high62 Ų6290.9 Ų90.932%0.31846%0.459SS..Hα-helixtrans-60.9-50.5176.9-60.4170.2000110.8I162 D166 L167 R172 T173 L174I162-I170 HydrophobicContact CD1-CD1 3.42Å; I162-I170 VanDerWaalsContact CD1-CD1 3.42Å; I162-I170 HydrophobicContact CG2-CD1 3.97Å; D166-I170 PolarHBondContact O-N 3.37Å; L167-I170 HydrophobicContact CD2-CD1 4.47Å; L167-I170 PolarHBondContact O-N 2.92Å; I170-R172 VanDerWaalsContact C-N 3.25Å; I170-R172 PolarHBondContact O-N 3.42Å; I170-T173 WeakPolarHBondContact CA-OG1 3.42Å; I170-T173 PolarHBondContact O-N 3.4Å; I170-T173 VanDerWaalsContact O-N 3.15Å; I170-T173 PolarHBondContact O-OG1 2.84Å; I170-L174 HydrophobicContact CG2-CD1 4.07Å; I170-L174 HydrophobicContact CG2-CG 4.49Å; I170-L174 PolarHBondContact O-N 3.48Å
171A94.6Very high92.2Very high57 Ų5791.5 Ų91.547%0.47147%0.469SS..Hα-helixtrans-56.5-41.4178.300000111.8L167 L174 Q175L167-A171 PolarHBondContact O-N 3.14Å; A171-L174 PolarHBondContact O-N 2.91Å; A171-Q175 WeakPolarHBondContact O-CB 3.37Å; A171-Q175 PolarHBondContact O-N 3.11Å
172R96.9Very high92.9Very high159 Ų15996 Ų9660%0.649%0.489SS*.Hα-helixtrans-63.4-47.5175.4-80.7-178.4-79.1-177.5-2.7112.6N168 A169 I170 L174 Q175 E176N168-R172 WeakPolarHBondContact O-CB 3.24Å; N168-R172 VanDerWaalsContact O-CG 3.31Å; N168-R172 WeakPolarHBondContact O-CG 3.33Å; N168-R172 PolarHBondContact O-N 3.09Å; N168-R172 PolarHBondContact O-NE 3.14Å; A169-R172 PolarHBondContact O-N 2.95Å; I170-R172 VanDerWaalsContact C-N 3.25Å; I170-R172 PolarHBondContact O-N 3.42Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 PolarHBondContact O-N 2.98Å; R172-Q175 PolarHBondContact O-N 2.77Å; R172-Q175 VanDerWaalsContact O-N 3.16Å; R172-E176 WeakPolarHBondContact O-CG 3.45Å; R172-E176 PolarHBondContact O-N 2.86Å
173T95.3Very high93.8Very high81 Ų8196.3 Ų96.350%0.49750%0.495SS..Hα-helixtrans-62-37.7178.455.10000112.9A169 I170 W177A169-T173 WeakPolarHBondContact O-CG2 3.32Å; A169-T173 PolarHBondContact O-N 2.91Å; A169-T173 PolarHBondContact O-OG1 3.12Å; I170-T173 WeakPolarHBondContact CA-OG1 3.42Å; I170-T173 PolarHBondContact O-N 3.4Å; I170-T173 VanDerWaalsContact O-N 3.15Å; I170-T173 PolarHBondContact O-OG1 2.84Å; T173-W177 PolarHBondContact O-N 3.47Å; T173-W177 VanDerWaalsContact O-N 3.08Å
174L96.1Very high94.6Very high95 Ų9597 Ų9750%0.49751%0.505SS..Hα-helixtrans-66.1-43.6174.3-71.5172.3000111.2I170 A171 R172 W177 C178I170-L174 HydrophobicContact CG2-CD1 4.07Å; I170-L174 HydrophobicContact CG2-CG 4.49Å; I170-L174 PolarHBondContact O-N 3.48Å; A171-L174 PolarHBondContact O-N 2.91Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 PolarHBondContact O-N 2.98Å; L174-W177 PolarHBondContact O-N 3.46Å; L174-C178 PolarHBondContact O-N 2.82Å; L174-C178 PolarHBondContact O-SG 3.28Å; L174-C178 VanDerWaalsContact O-SG 3.36Å
175Q97.6Very high95.3Very high114 Ų11494.1 Ų94.153%0.53350%0.501SS..Hα-helixtrans-63.5-43.3177.6-171.561.949.100111.9A171 R172 W177 C178 V179A171-Q175 WeakPolarHBondContact O-CB 3.37Å; A171-Q175 PolarHBondContact O-N 3.11Å; R172-Q175 PolarHBondContact O-N 2.77Å; R172-Q175 VanDerWaalsContact O-N 3.16Å; Q175-W177 VanDerWaalsContact C-N 3.25Å; Q175-W177 PolarHBondContact O-N 3.25Å; Q175-C178 PolarHBondContact O-N 3Å; Q175-V179 HydrophobicContact CG-CG2 4.48Å; Q175-V179 VanDerWaalsContact O-CG2 3.31Å; Q175-V179 WeakPolarHBondContact O-CG2 3.38Å; Q175-V179 PolarHBondContact O-N 3.15Å
176E98Very high95.8Very high139 Ų13990.4 Ų90.465%0.6549%0.49SS*.Hα-helixtrans-58.2-40.6174.7-76.7174.2-17100111.3R172 G180R172-E176 WeakPolarHBondContact O-CG 3.45Å; R172-E176 PolarHBondContact O-N 2.86Å; E176-G180 PolarHBondContact O-N 3.45Å
177W97.6Very high96.4Very high180 Ų18088 Ų8868%0.68248%0.484SS*.Hα-helixtrans-68.6-43.4176.8-171.731.5000112.6T173 L174 Q175 V179 G180 C181T173-W177 PolarHBondContact O-N 3.47Å; T173-W177 VanDerWaalsContact O-N 3.08Å; L174-W177 PolarHBondContact O-N 3.46Å; Q175-W177 VanDerWaalsContact C-N 3.25Å; Q175-W177 PolarHBondContact O-N 3.25Å; W177-V179 PolarHBondContact O-N 3.26Å; W177-G180 PolarHBondContact O-N 3.13Å; W177-C181 PolarHBondContact O-N 2.96Å; W177-C181 PolarHBondContact O-SG 3.28Å; W177-C181 VanDerWaalsContact O-SG 3.39Å
178C97.6Very high96.8Very high61 Ų6187.9 Ų87.941%0.41248%0.483SS..Hα-helixtrans-57.5-49.7174.3-71.60000111.5L174 Q175 G180 C181 E182L174-C178 PolarHBondContact O-N 2.82Å; L174-C178 PolarHBondContact O-SG 3.28Å; L174-C178 VanDerWaalsContact O-SG 3.36Å; Q175-C178 PolarHBondContact O-N 3Å; C178-G180 VanDerWaalsContact C-N 3.31Å; C178-G180 PolarHBondContact O-N 2.95Å; C178-C181 WeakPolarHBondContact O-CB 3.46Å; C178-C181 PolarHBondContact O-N 3.46Å; C178-C181 VanDerWaalsContact O-N 3.16Å; C178-E182 WeakPolarHBondContact O-CG 3.43Å; C178-E182 PolarHBondContact O-N 3.23Å
179V98.2Very high97Very high64 Ų6489 Ų8939%0.38849%0.485SS..Hα-helixtrans-61.4-41.5177.5172.90000110.8Q175 W177 C181 E182 V183Q175-V179 HydrophobicContact CG-CG2 4.48Å; Q175-V179 VanDerWaalsContact O-CG2 3.31Å; Q175-V179 WeakPolarHBondContact O-CG2 3.38Å; Q175-V179 PolarHBondContact O-N 3.15Å; W177-V179 PolarHBondContact O-N 3.26Å; V179-C181 VanDerWaalsContact C-N 3.32Å; V179-C181 PolarHBondContact O-N 2.96Å; V179-E182 PolarHBondContact O-N 3.38Å; V179-V183 HydrophobicContact CG1-CG2 4.31Å; V179-V183 VanDerWaalsContact O-CG2 3.3Å; V179-V183 WeakPolarHBondContact O-CG2 3.35Å; V179-V183 PolarHBondContact O-N 2.85Å
180G98.1Very high97.3Very high34 Ų3491.5 Ų91.535%0.35149%0.489SS..Hα-helixtrans-57.6-44.2174.700000112.7E176 W177 C178 V183 V184E176-G180 PolarHBondContact O-N 3.45Å; W177-G180 PolarHBondContact O-N 3.13Å; C178-G180 VanDerWaalsContact C-N 3.31Å; C178-G180 PolarHBondContact O-N 2.95Å; G180-V183 PolarHBondContact O-N 3.45Å; G180-V184 WeakPolarHBondContact O-CG2 3.23Å; G180-V184 PolarHBondContact O-N 3.05Å; G180-V184 VanDerWaalsContact O-N 3.11Å
181C97.9Very high97.6Very high57 Ų5793.6 Ų93.639%0.38550%0.497SS..Hα-helixtrans-64.1-44.2175.2-69.60000112.2W177 C178 V179 V183 V184 L185W177-C181 PolarHBondContact O-N 2.96Å; W177-C181 PolarHBondContact O-SG 3.28Å; W177-C181 VanDerWaalsContact O-SG 3.39Å; C178-C181 WeakPolarHBondContact O-CB 3.46Å; C178-C181 PolarHBondContact O-N 3.46Å; C178-C181 VanDerWaalsContact O-N 3.16Å; V179-C181 VanDerWaalsContact C-N 3.32Å; V179-C181 PolarHBondContact O-N 2.96Å; C181-V183 VanDerWaalsContact C-N 3.35Å; C181-V183 PolarHBondContact O-N 3.49Å; C181-V184 PolarHBondContact O-N 3.24Å; C181-L185 WeakPolarHBondContact O-CB 3.48Å; C181-L185 VanDerWaalsContact O-CG 3.26Å; C181-L185 WeakPolarHBondContact O-CG 3.34Å; C181-L185 PolarHBondContact O-N 3.46Å
182E98Very high97.8Very high118 Ų11894.6 Ų94.655%0.55150%0.497SS*.Hα-helixtrans-61.5-41177.5-72.2170.3-164.600112.2C178 V179 L185 S186C178-E182 WeakPolarHBondContact O-CG 3.43Å; C178-E182 PolarHBondContact O-N 3.23Å; V179-E182 PolarHBondContact O-N 3.38Å; E182-L185 PolarHBondContact O-N 3.22Å; E182-S186 WeakPolarHBondContact O-CB 3.45Å; E182-S186 PolarHBondContact O-N 3.08Å; E182-S186 PolarHBondContact O-OG 3.31Å
183V98.4Very high97.8Very high94 Ų9490.4 Ų90.457%0.5749%0.493SS*.Hα-helixtrans-64.3-43.5176.3170.10000111.2V179 G180 C181 S186 G187V179-V183 HydrophobicContact CG1-CG2 4.31Å; V179-V183 VanDerWaalsContact O-CG2 3.3Å; V179-V183 WeakPolarHBondContact O-CG2 3.35Å; V179-V183 PolarHBondContact O-N 2.85Å; G180-V183 PolarHBondContact O-N 3.45Å; C181-V183 VanDerWaalsContact C-N 3.35Å; C181-V183 PolarHBondContact O-N 3.49Å; V183-S186 WeakPolarHBondContact CA-OG 3.44Å; V183-S186 PolarHBondContact O-OG 2.87Å; V183-S186 VanDerWaalsContact O-OG 3.06Å; V183-G187 PolarHBondContact O-N 3.41Å
184V98.4Very high98Very high92 Ų9293.1 Ų93.156%0.55849%0.494SS*.Hα-helixtrans-65.9-43.9177.4172.80000111G180 C181 G187 I188G180-V184 WeakPolarHBondContact O-CG2 3.23Å; G180-V184 PolarHBondContact O-N 3.05Å; G180-V184 VanDerWaalsContact O-N 3.11Å; C181-V184 PolarHBondContact O-N 3.24Å; V184-G187 PolarHBondContact O-N 3.46Å; V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 3.43Å
185L98.2Very high98Very high102 Ų10291.4 Ų91.453%0.53449%0.494SS..Hα-helixtrans-62.9-50.4179.1-73.7169.1000111.7C181 E182 G187 I188 E189C181-L185 WeakPolarHBondContact O-CB 3.48Å; C181-L185 VanDerWaalsContact O-CG 3.26Å; C181-L185 WeakPolarHBondContact O-CG 3.34Å; C181-L185 PolarHBondContact O-N 3.46Å; E182-L185 PolarHBondContact O-N 3.22Å; L185-G187 VanDerWaalsContact C-N 3.29Å; L185-G187 PolarHBondContact O-N 3.35Å; L185-I188 WeakPolarHBondContact O-CB 3.46Å; L185-I188 PolarHBondContact O-N 3.04Å; L185-I188 VanDerWaalsContact O-N 3.09Å; L185-E189 WeakPolarHBondContact O-CG 2.94Å; L185-E189 PolarHBondContact O-N 2.7Å
186S97.9Very high98.1Very high60 Ų6090.6 Ų90.642%0.4249%0.493SS..Hα-helixtrans-61.5-37.6176.8560000112.3E182 V183 I188 E189 E190E182-S186 WeakPolarHBondContact O-CB 3.45Å; E182-S186 PolarHBondContact O-N 3.08Å; E182-S186 PolarHBondContact O-OG 3.31Å; V183-S186 WeakPolarHBondContact CA-OG 3.44Å; V183-S186 PolarHBondContact O-OG 2.87Å; V183-S186 VanDerWaalsContact O-OG 3.06Å; S186-I188 PolarHBondContact O-N 3.1Å; S186-E189 PolarHBondContact O-N 3.4Å; S186-E190 PolarHBondContact O-N 3.17Å
187G98.2Very high98Very high29 Ų2989.6 Ų89.630%0.29949%0.488SS..Hα-helixtrans-60.6-42.8172.400000112.6V183 V184 L185 E190 Q191V183-G187 PolarHBondContact O-N 3.41Å; V184-G187 PolarHBondContact O-N 3.46Å; L185-G187 VanDerWaalsContact C-N 3.29Å; L185-G187 PolarHBondContact O-N 3.35Å; G187-E190 PolarHBondContact O-N 2.85Å; G187-Q191 WeakPolarHBondContact O-CG 3.45Å; G187-Q191 PolarHBondContact O-N 3.4Å
188I98.2Very high98Very high96 Ų9686.2 Ų86.249%0.49248%0.48SS..Hα-helixtrans-64.7-45.8175.7-68.6164.7000110.6V184 L185 S186 E190 Q191 V192V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 3.43Å; L185-I188 WeakPolarHBondContact O-CB 3.46Å; L185-I188 PolarHBondContact O-N 3.04Å; L185-I188 VanDerWaalsContact O-N 3.09Å; S186-I188 PolarHBondContact O-N 3.1Å; I188-E190 VanDerWaalsContact C-N 3.29Å; I188-E190 PolarHBondContact O-N 3.32Å; I188-Q191 PolarHBondContact O-N 3.42Å; I188-Q191 VanDerWaalsContact O-N 3.16Å; I188-V192 HydrophobicContact CG2-CG2 4.36Å; I188-V192 WeakPolarHBondContact O-CG2 3.35Å; I188-V192 PolarHBondContact O-N 3.21Å
189E98.1Very high98Very high133 Ų13389.8 Ų89.862%0.62149%0.488SS*.Hα-helixtrans-57.8-42.3177.3-71.3169.7-174.200111.7L185 S186 V192 S193L185-E189 WeakPolarHBondContact O-CG 2.94Å; L185-E189 PolarHBondContact O-N 2.7Å; S186-E189 PolarHBondContact O-N 3.4Å; E189-V192 PolarHBondContact O-N 3.43Å; E189-S193 PolarHBondContact O-N 3.24Å
190E98.2Very high98Very high94 Ų9493.6 Ų93.644%0.43950%0.502SS..Hα-helixtrans-64-44.4175.5-165.7-169.4168.200111.7S186 G187 I188 V192 S193 R194S186-E190 PolarHBondContact O-N 3.17Å; G187-E190 PolarHBondContact O-N 2.85Å; I188-E190 VanDerWaalsContact C-N 3.29Å; I188-E190 PolarHBondContact O-N 3.32Å; E190-V192 VanDerWaalsContact C-N 3.32Å; E190-V192 PolarHBondContact O-N 3.25Å; E190-S193 WeakPolarHBondContact O-CB 3.43Å; E190-S193 PolarHBondContact O-N 3.13Å; E190-R194 WeakPolarHBondContact O-CG 3.36Å; E190-R194 PolarHBondContact O-N 2.7Å; E190-R194 IonicContact OE1-CZ 2.7Å; E190-R194 IonicContact OE1-NE 2.67Å; E190-R194 PolarHBondContact OE1-NE 2.67Å; E190-R194 IonicContact OE1-NH2 3.13Å; E190-R194 PolarHBondContact OE1-NH2 3.06Å
191Q97.7Very high98Very high106 Ų10697.6 Ų97.650%0.49551%0.511SS..Hα-helixtrans-63.8-37.6177.1-66.9-47.3-51.900112.2G187 I188 R194 A195G187-Q191 WeakPolarHBondContact O-CG 3.45Å; G187-Q191 PolarHBondContact O-N 3.4Å; I188-Q191 PolarHBondContact O-N 3.42Å; I188-Q191 VanDerWaalsContact O-N 3.16Å; Q191-R194 PolarHBondContact O-N 3.06Å; Q191-A195 WeakPolarHBondContact O-CB 3.44Å; Q191-A195 PolarHBondContact O-N 2.95Å
192V98.3Very high97.9Very high78 Ų7899.5 Ų99.547%0.47352%0.515SS..Hα-helixtrans-62.8-46174.1170.30000110.6I188 E189 E190 A195 N196I188-V192 HydrophobicContact CG2-CG2 4.36Å; I188-V192 WeakPolarHBondContact O-CG2 3.35Å; I188-V192 PolarHBondContact O-N 3.21Å; E189-V192 PolarHBondContact O-N 3.43Å; E190-V192 VanDerWaalsContact C-N 3.32Å; E190-V192 PolarHBondContact O-N 3.25Å; V192-A195 PolarHBondContact O-N 3.17Å; V192-N196 PolarHBondContact O-N 3.41Å; V192-N196 PolarHBondContact O-ND2 3.37Å
193S98.3Very high97.8Very high71 Ų7197.8 Ų97.850%0.49751%0.509SS..Hα-helixtrans-59.3-48.6176.6-176.40000111.6E189 E190 A195 N196 Q197E189-S193 PolarHBondContact O-N 3.24Å; E190-S193 WeakPolarHBondContact O-CB 3.43Å; E190-S193 PolarHBondContact O-N 3.13Å; S193-A195 PolarHBondContact O-N 3.39Å; S193-N196 PolarHBondContact O-N 2.9Å; S193-Q197 WeakPolarHBondContact O-CB 3.36Å; S193-Q197 PolarHBondContact O-N 3.07Å
194R98.1Very high97.8Very high138 Ų13894.7 Ų94.752%0.52150%0.496SS..Hα-helixtrans-59.2-43.6177-72.5174176.5-1491.7112.3E190 Q191 Q197 H198E190-R194 WeakPolarHBondContact O-CG 3.36Å; E190-R194 PolarHBondContact O-N 2.7Å; E190-R194 IonicContact OE1-CZ 2.7Å; E190-R194 IonicContact OE1-NE 2.67Å; E190-R194 PolarHBondContact OE1-NE 2.67Å; E190-R194 IonicContact OE1-NH2 3.13Å; E190-R194 PolarHBondContact OE1-NH2 3.06Å; Q191-R194 PolarHBondContact O-N 3.06Å; R194-Q197 PolarHBondContact O-N 3.35Å; R194-H198 WeakPolarHBondContact O-CB 3.46Å; R194-H198 PolarHBondContact O-N 3.49Å
195A98.1Very high97.7Very high60 Ų6094.2 Ų94.250%0.49649%0.489SS..Hα-helixtrans-64-42.9178.600000112Q191 V192 S193 H198 K199Q191-A195 WeakPolarHBondContact O-CB 3.44Å; Q191-A195 PolarHBondContact O-N 2.95Å; V192-A195 PolarHBondContact O-N 3.17Å; S193-A195 PolarHBondContact O-N 3.39Å; A195-H198 PolarHBondContact O-N 3.37Å; A195-K199 WeakPolarHBondContact O-CB 3.27Å; A195-K199 PolarHBondContact O-N 3.42Å
196N98Very high97.6Very high96 Ų9695 Ų9551%0.51349%0.489SS..Hα-helixtrans-65.5-44.4176.5-74.8-31000111.8V192 S193 H198 K199 E200V192-N196 PolarHBondContact O-N 3.41Å; V192-N196 PolarHBondContact O-ND2 3.37Å; S193-N196 PolarHBondContact O-N 2.9Å; N196-H198 PolarHBondContact O-N 2.82Å; N196-K199 WeakPolarHBondContact O-CB 2.82Å; N196-K199 PolarHBondContact O-N 3.05Å; N196-E200 WeakPolarHBondContact O-CB 2.95Å; N196-E200 PolarHBondContact O-N 3.48Å
197Q97.6Very high97.5Very high119 Ų11998.2 Ų98.256%0.55650%0.497SS*.Hα-helixtrans-65-39.3178.1-171.8162.559.200112S193 R194 E200 Q201S193-Q197 WeakPolarHBondContact O-CB 3.36Å; S193-Q197 PolarHBondContact O-N 3.07Å; R194-Q197 PolarHBondContact O-N 3.35Å; Q197-E200 PolarHBondContact O-N 3.35Å; Q197-Q201 PolarHBondContact O-N 2.94Å
198H97.3Very high97.4Very high109 Ų109102.8 Ų102.851%0.50551%0.511SS..Hα-helixtrans-64.3-43.3174.1-171.170.9000111.5R194 A195 N196 E200 Q201 Q202R194-H198 WeakPolarHBondContact O-CB 3.46Å; R194-H198 PolarHBondContact O-N 3.49Å; A195-H198 PolarHBondContact O-N 3.37Å; N196-H198 PolarHBondContact O-N 2.82Å; H198-E200 VanDerWaalsContact C-N 3.33Å; H198-E200 PolarHBondContact O-N 3.25Å; H198-Q201 PolarHBondContact O-N 2.99Å; H198-Q202 WeakPolarHBondContact O-CB 3.31Å; H198-Q202 VanDerWaalsContact O-CG 3.27Å; H198-Q202 WeakPolarHBondContact O-CG 3.32Å; H198-Q202 PolarHBondContact O-N 3.37Å
199K97.6Very high97.2Very high135 Ų135103.5 Ų103.559%0.58751%0.514SS*.Hα-helixtrans-58.6-45.3174.4178.6-174.7173.8-175.30111.4A195 N196 Q202 L203A195-K199 WeakPolarHBondContact O-CB 3.27Å; A195-K199 PolarHBondContact O-N 3.42Å; N196-K199 WeakPolarHBondContact O-CB 2.82Å; N196-K199 PolarHBondContact O-N 3.05Å; K199-Q202 PolarHBondContact O-N 3.43Å; K199-L203 HydrophobicContact CG-CD1 4.11Å; K199-L203 WeakPolarHBondContact O-CB 3.25Å; K199-L203 WeakPolarHBondContact O-CG 3.36Å; K199-L203 PolarHBondContact O-N 3.35Å
200E97.6Very high97.1Very high144 Ų144102.2 Ų102.267%0.67351%0.508SS*.Hα-helixtrans-65.1-44.1179-171.4169.2-148.900112N196 Q197 H198 Q202 L203 G204N196-E200 WeakPolarHBondContact O-CB 2.95Å; N196-E200 PolarHBondContact O-N 3.48Å; Q197-E200 PolarHBondContact O-N 3.35Å; H198-E200 VanDerWaalsContact C-N 3.33Å; H198-E200 PolarHBondContact O-N 3.25Å; E200-Q202 PolarHBondContact O-N 3.15Å; E200-L203 PolarHBondContact O-N 2.93Å; E200-G204 PolarHBondContact O-N 2.87Å
201Q97Very high96.9Very high119 Ų119100.3 Ų100.356%0.55651%0.505SS*.Hα-helixtrans-58.3-46.3172.7-85.8-175.4-7.400112.2Q197 H198 L203 G204 L205Q197-Q201 PolarHBondContact O-N 2.94Å; H198-Q201 PolarHBondContact O-N 2.99Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.22Å; Q201-G204 PolarHBondContact O-N 3.32Å; Q201-L205 WeakPolarHBondContact O-CB 3.44Å; Q201-L205 WeakPolarHBondContact O-CG 3.44Å; Q201-L205 PolarHBondContact O-N 3.32Å
202Q96.2Very high96.7Very high97 Ų97100.6 Ų100.645%0.45351%0.507SS..Hα-helixtrans-64.5-39.7179.2-71.6-61.1-48.100111.9H198 K199 E200 K206H198-Q202 WeakPolarHBondContact O-CB 3.31Å; H198-Q202 VanDerWaalsContact O-CG 3.27Å; H198-Q202 WeakPolarHBondContact O-CG 3.32Å; H198-Q202 PolarHBondContact O-N 3.37Å; K199-Q202 PolarHBondContact O-N 3.43Å; E200-Q202 PolarHBondContact O-N 3.15Å; Q202-K206 VanDerWaalsContact O-CB 3.25Å; Q202-K206 WeakPolarHBondContact O-CB 3.45Å; Q202-K206 PolarHBondContact O-N 3.18Å
203L96.9Very high96.6Very high82 Ų82100 Ų10043%0.42950%0.503SS..Hα-helixtrans-63.3-44.1173.8-75.2170.4000111.6K199 E200 Q201 K206 Q207K199-L203 HydrophobicContact CG-CD1 4.11Å; K199-L203 WeakPolarHBondContact O-CB 3.25Å; K199-L203 WeakPolarHBondContact O-CG 3.36Å; K199-L203 PolarHBondContact O-N 3.35Å; E200-L203 PolarHBondContact O-N 2.93Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.22Å; L203-K206 PolarHBondContact O-N 3.5Å; L203-Q207 VanDerWaalsContact O-CG 3.31Å; L203-Q207 WeakPolarHBondContact O-CG 3.44Å; L203-Q207 PolarHBondContact O-N 3.41Å
204G97.1Very high96.3Very high28 Ų2898.6 Ų98.629%0.28950%0.496SS..Hα-helixtrans-61.8-47.3176.500000112.8E200 Q201 K206 Q207 Q208E200-G204 PolarHBondContact O-N 2.87Å; Q201-G204 PolarHBondContact O-N 3.32Å; G204-K206 VanDerWaalsContact C-N 3.34Å; G204-K206 PolarHBondContact O-N 3.41Å; G204-Q207 PolarHBondContact O-N 3.48Å; G204-Q208 WeakPolarHBondContact O-CG 3.47Å; G204-Q208 PolarHBondContact O-N 3.38Å
205L96.3Very high96Very high82 Ų8295.7 Ų95.743%0.42949%0.491SS..Hα-helixtrans-60.5-43.4175.6-73.6169.7000111.6Q201 Q207 Q208 I209Q201-L205 WeakPolarHBondContact O-CB 3.44Å; Q201-L205 WeakPolarHBondContact O-CG 3.44Å; Q201-L205 PolarHBondContact O-N 3.32Å; L205-Q207 PolarHBondContact O-N 3.32Å; L205-Q208 PolarHBondContact O-N 2.94Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å; L205-I209 PolarHBondContact O-N 3.21Å
206K96.3Very high95.7Very high120 Ų12097.8 Ų97.852%0.52249%0.493SS..Hα-helixtrans-60.3-45.6176.8-174.2-174.9175.8-161.10111.4Q202 L203 G204 I209 E210Q202-K206 VanDerWaalsContact O-CB 3.25Å; Q202-K206 WeakPolarHBondContact O-CB 3.45Å; Q202-K206 PolarHBondContact O-N 3.18Å; L203-K206 PolarHBondContact O-N 3.5Å; G204-K206 VanDerWaalsContact C-N 3.34Å; G204-K206 PolarHBondContact O-N 3.41Å; K206-I209 PolarHBondContact O-N 3Å; K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 IonicContact NZ-OE1 2.7Å; K206-E210 WeakPolarHBondContact O-CG 3.25Å; K206-E210 PolarHBondContact O-N 3.23Å
207Q96.2Very high95.2Very high127 Ų12799.8 Ų99.859%0.59350%0.497SS*.Hα-helixtrans-63.2-40.6177.5-73.4173.15.800112.2L203 G204 L205 E210 S211L203-Q207 VanDerWaalsContact O-CG 3.31Å; L203-Q207 WeakPolarHBondContact O-CG 3.44Å; L203-Q207 PolarHBondContact O-N 3.41Å; G204-Q207 PolarHBondContact O-N 3.48Å; L205-Q207 PolarHBondContact O-N 3.32Å; Q207-E210 PolarHBondContact O-N 3.49Å; Q207-S211 WeakPolarHBondContact O-CB 3.44Å; Q207-S211 PolarHBondContact O-N 2.76Å
208Q95.6Very high94.8Very high125 Ų125100.7 Ų100.758%0.58450%0.499SS*.Hα-helixtrans-60.2-49174.7-75176.80.100111.2G204 L205 E210 S211 E212G204-Q208 WeakPolarHBondContact O-CG 3.47Å; G204-Q208 PolarHBondContact O-N 3.38Å; L205-Q208 PolarHBondContact O-N 2.94Å; Q208-E210 VanDerWaalsContact C-N 3.33Å; Q208-E210 PolarHBondContact O-N 2.7Å; Q208-S211 PolarHBondContact O-N 2.93Å; Q208-S211 VanDerWaalsContact O-N 3.15Å; Q208-S211 PolarHBondContact O-OG 3.41Å; Q208-E212 WeakPolarHBondContact O-CG 3.49Å; Q208-E212 PolarHBondContact O-N 3.13Å
209I95.3Very high94.2Very high111 Ų11199.6 Ų99.657%0.56950%0.5SS*.Hα-helixtrans-58.6-45.3177-66.1164.2000110.9L205 K206 S211 E212 V213L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å; L205-I209 PolarHBondContact O-N 3.21Å; K206-I209 PolarHBondContact O-N 3Å; I209-S211 VanDerWaalsContact C-N 3.31Å; I209-S211 PolarHBondContact O-N 2.91Å; I209-E212 PolarHBondContact O-N 3.28Å; I209-V213 HydrophobicContact CG2-CG2 4.4Å; I209-V213 WeakPolarHBondContact O-CB 3.25Å; I209-V213 VanDerWaalsContact O-CG2 3.26Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.08Å
210E94.5Very high93.6Very high106 Ų10698 Ų9850%0.49550%0.497SS..Hα-helixtrans-60.6-39.9177.6-75175176.500112.1K206 Q207 Q208 A214K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 IonicContact NZ-OE1 2.7Å; K206-E210 WeakPolarHBondContact O-CG 3.25Å; K206-E210 PolarHBondContact O-N 3.23Å; Q207-E210 PolarHBondContact O-N 3.49Å; Q208-E210 VanDerWaalsContact C-N 3.33Å; Q208-E210 PolarHBondContact O-N 2.7Å; E210-A214 WeakPolarHBondContact O-CB 3.31Å; E210-A214 PolarHBondContact O-N 2.87Å
211S95Very high92.9Very high54 Ų5498.8 Ų98.838%0.37850%0.498SS..Hα-helixtrans-68.3-42.4177.475.90000112.9Q207 Q208 I209 A214 N215Q207-S211 WeakPolarHBondContact O-CB 3.44Å; Q207-S211 PolarHBondContact O-N 2.76Å; Q208-S211 PolarHBondContact O-N 2.93Å; Q208-S211 VanDerWaalsContact O-N 3.15Å; Q208-S211 PolarHBondContact O-OG 3.41Å; I209-S211 VanDerWaalsContact C-N 3.31Å; I209-S211 PolarHBondContact O-N 2.91Å; S211-A214 WeakPolarHBondContact O-CB 3.39Å; S211-A214 PolarHBondContact O-N 3.33Å; S211-N215 VanDerWaalsContact O-CG 3.29Å; S211-N215 PolarHBondContact O-N 3.48Å; S211-N215 PolarHBondContact O-ND2 3.22Å
212E94.4Very high92.1Very high112 Ų11298 Ų9852%0.52350%0.501SS..Hα-helixtrans-63.3-43.4175.8-74.3-60.8140.800111.1Q208 I209 A214 N215 L216Q208-E212 WeakPolarHBondContact O-CG 3.49Å; Q208-E212 PolarHBondContact O-N 3.13Å; I209-E212 PolarHBondContact O-N 3.28Å; E212-A214 VanDerWaalsContact C-N 3.31Å; E212-A214 PolarHBondContact O-N 3.42Å; E212-N215 PolarHBondContact O-N 3.45Å; E212-L216 WeakPolarHBondContact O-CB 3.46Å; E212-L216 WeakPolarHBondContact O-CG 3.19Å; E212-L216 PolarHBondContact O-N 3.35Å
213V94.5Very high90.9Very high64 Ų6497.3 Ų97.339%0.38850%0.504SS..Hα-helixtrans-60.8-40.7174.6170.30000111.2I209 K217I209-V213 HydrophobicContact CG2-CG2 4.4Å; I209-V213 WeakPolarHBondContact O-CB 3.25Å; I209-V213 VanDerWaalsContact O-CG2 3.26Å; I209-V213 WeakPolarHBondContact O-CG2 3.41Å; I209-V213 PolarHBondContact O-N 3.08Å; V213-K217 HydrophobicContact CG1-CD 4.21Å; V213-K217 WeakPolarHBondContact O-CB 3.39Å; V213-K217 VanDerWaalsContact O-CG 3.27Å; V213-K217 WeakPolarHBondContact O-CG 3.45Å; V213-K217 PolarHBondContact O-N 3.5Å
214A92.8Very high89.7Confident43 Ų4397.4 Ų97.436%0.35551%0.508SS..Hα-helixtrans-65.9-41.8176.700000112.2E210 S211 E212 K217 K218E210-A214 WeakPolarHBondContact O-CB 3.31Å; E210-A214 PolarHBondContact O-N 2.87Å; S211-A214 WeakPolarHBondContact O-CB 3.39Å; S211-A214 PolarHBondContact O-N 3.33Å; E212-A214 VanDerWaalsContact C-N 3.31Å; E212-A214 PolarHBondContact O-N 3.42Å; A214-K217 PolarHBondContact O-N 3.35Å; A214-K218 WeakPolarHBondContact O-CG 3.5Å; A214-K218 PolarHBondContact O-N 3.43Å
215N92.3Very high88.1Confident77 Ų7799 Ų9941%0.41252%0.519SS..Hα-helixtrans-64.6-48.3176.8-70.4-21.6000111.4S211 E212 K217 K218 T219S211-N215 VanDerWaalsContact O-CG 3.29Å; S211-N215 PolarHBondContact O-N 3.48Å; S211-N215 PolarHBondContact O-ND2 3.22Å; E212-N215 PolarHBondContact O-N 3.45Å; N215-K217 VanDerWaalsContact C-N 3.33Å; N215-K217 PolarHBondContact O-N 2.93Å; N215-K218 WeakPolarHBondContact O-CB 3.43Å; N215-K218 PolarHBondContact O-N 3.3Å; N215-K218 VanDerWaalsContact O-N 3.09Å; N215-T219 PolarHBondContact O-N 3.37Å; N215-T219 PolarHBondContact O-OG1 2.95Å; N215-T219 VanDerWaalsContact O-OG1 3.11Å
216L90.2Very high86.5Confident104 Ų10497.8 Ų97.855%0.54552%0.52SS..Hα-helixtrans-57.5-43.7175-73.4169.5000111.9E212 K218 T219 I220E212-L216 WeakPolarHBondContact O-CB 3.46Å; E212-L216 WeakPolarHBondContact O-CG 3.19Å; E212-L216 PolarHBondContact O-N 3.35Å; L216-K218 VanDerWaalsContact C-N 3.33Å; L216-K218 PolarHBondContact O-N 2.87Å; L216-T219 PolarHBondContact O-N 3.18Å; L216-I220 WeakPolarHBondContact O-CB 3.32Å; L216-I220 VanDerWaalsContact O-CG1 3.27Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 3.37Å
217K89.1Confident84.7Confident137 Ų13794.8 Ų94.860%0.59652%0.518SS*.Hα-helixtrans-60.2-40.2175.1-79.2176.2-180178.40112.6V213 A214 N215 K221V213-K217 HydrophobicContact CG1-CD 4.21Å; V213-K217 WeakPolarHBondContact O-CB 3.39Å; V213-K217 VanDerWaalsContact O-CG 3.27Å; V213-K217 WeakPolarHBondContact O-CG 3.45Å; V213-K217 PolarHBondContact O-N 3.5Å; A214-K217 PolarHBondContact O-N 3.35Å; N215-K217 VanDerWaalsContact C-N 3.33Å; N215-K217 PolarHBondContact O-N 2.93Å; K217-K221 PolarHBondContact O-N 2.96Å; K217-K221 VanDerWaalsContact O-N 3.16Å
218K88.5Confident82.9Confident138 Ų13891.7 Ų91.760%0.651%0.514SS*.Hα-helixtrans-65.7-47.7175.5-72.3175-175.3173.70111A214 N215 L216 I220 K221 V222A214-K218 WeakPolarHBondContact O-CG 3.5Å; A214-K218 PolarHBondContact O-N 3.43Å; N215-K218 WeakPolarHBondContact O-CB 3.43Å; N215-K218 PolarHBondContact O-N 3.3Å; N215-K218 VanDerWaalsContact O-N 3.09Å; L216-K218 VanDerWaalsContact C-N 3.33Å; L216-K218 PolarHBondContact O-N 2.87Å; K218-I220 PolarHBondContact O-N 3.38Å; K218-K221 WeakPolarHBondContact O-CB 3.45Å; K218-K221 PolarHBondContact O-N 3.36Å; K218-V222 WeakPolarHBondContact O-CG2 3.49Å; K218-V222 PolarHBondContact O-N 3.11Å
219T85.4Confident81.1Confident86 Ų8688.6 Ų88.653%0.52851%0.51SS..Hα-helixtrans-58.7-48.1178.6-55.80000111.1N215 L216 K221 V222 T223N215-T219 PolarHBondContact O-N 3.37Å; N215-T219 PolarHBondContact O-OG1 2.95Å; N215-T219 VanDerWaalsContact O-OG1 3.11Å; L216-T219 PolarHBondContact O-N 3.18Å; T219-K221 VanDerWaalsContact C-N 3.35Å; T219-K221 PolarHBondContact O-N 3.38Å; T219-V222 PolarHBondContact O-N 2.85Å; T219-V222 VanDerWaalsContact O-N 3.15Å; T219-T223 PolarHBondContact O-N 3.19Å; T219-T223 PolarHBondContact O-OG1 3.16Å
220I83.4Confident79.1Confident102 Ų10287.1 Ų87.152%0.52351%0.514SS..Hα-helixtrans-55.7-49.7176.9-69.5167.2000110.4L216 K218 V222 T223 T224L216-I220 WeakPolarHBondContact O-CB 3.32Å; L216-I220 VanDerWaalsContact O-CG1 3.27Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 3.37Å; K218-I220 PolarHBondContact O-N 3.38Å; I220-V222 VanDerWaalsContact C-N 3.33Å; I220-V222 PolarHBondContact O-N 2.92Å; I220-T223 WeakPolarHBondContact CA-OG1 3.46Å; I220-T223 PolarHBondContact O-N 3.35Å; I220-T223 PolarHBondContact O-OG1 3.28Å; I220-T224 HydrophobicContact CG2-CG2 4.4Å; I220-T224 PolarHBondContact O-N 3.01Å; I220-T224 PolarHBondContact O-OG1 3Å
221K83.4Confident77.2Confident160 Ų16087.9 Ų87.970%0.69653%0.526SS*.Hα-helixtrans-55.6-45.5177.5-88.6-174.5174.4-175.20112.6K217 K218 T219 T224 A225K217-K221 PolarHBondContact O-N 2.96Å; K217-K221 VanDerWaalsContact O-N 3.16Å; K218-K221 WeakPolarHBondContact O-CB 3.45Å; K218-K221 PolarHBondContact O-N 3.36Å; T219-K221 VanDerWaalsContact C-N 3.35Å; T219-K221 PolarHBondContact O-N 3.38Å; K221-T224 WeakPolarHBondContact CA-OG1 3.46Å; K221-T224 PolarHBondContact O-N 3.28Å; K221-T224 PolarHBondContact O-OG1 2.92Å; K221-A225 WeakPolarHBondContact O-CB 3.46Å; K221-A225 PolarHBondContact O-N 3.29Å
222V79.7Confident75Confident103 Ų10389.6 Ų89.662%0.62454%0.538SS*.Hα-helixtrans-65.6-45.3179173.90000111.1K218 T219 I220 A225 A226K218-V222 WeakPolarHBondContact O-CG2 3.49Å; K218-V222 PolarHBondContact O-N 3.11Å; T219-V222 PolarHBondContact O-N 2.85Å; T219-V222 VanDerWaalsContact O-N 3.15Å; I220-V222 VanDerWaalsContact C-N 3.33Å; I220-V222 PolarHBondContact O-N 2.92Å; V222-A225 PolarHBondContact O-N 3.33Å; V222-A226 WeakPolarHBondContact O-CB 3.43Å; V222-A226 PolarHBondContact O-N 2.89Å
223T72.6Confident72.5Confident82 Ų8292.9 Ų92.950%0.50355%0.554SS.*Hα-helixtrans-65-38.3176.337.60000113.1T219 I220 A225 A226 A227T219-T223 PolarHBondContact O-N 3.19Å; T219-T223 PolarHBondContact O-OG1 3.16Å; I220-T223 WeakPolarHBondContact CA-OG1 3.46Å; I220-T223 PolarHBondContact O-N 3.35Å; I220-T223 PolarHBondContact O-OG1 3.28Å; T223-A225 VanDerWaalsContact C-N 3.35Å; T223-A226 PolarHBondContact O-N 2.89Å; T223-A227 WeakPolarHBondContact O-CB 3.34Å; T223-A227 PolarHBondContact O-N 2.79Å
224T71.2Confident69.6Low84 Ų8496.8 Ų96.852%0.51557%0.573SS.*Hα-helixtrans-68.1-34.8174.644.90000112.2I220 K221 A228I220-T224 HydrophobicContact CG2-CG2 4.4Å; I220-T224 PolarHBondContact O-N 3.01Å; I220-T224 PolarHBondContact O-OG1 3Å; K221-T224 WeakPolarHBondContact CA-OG1 3.46Å; K221-T224 PolarHBondContact O-N 3.28Å; K221-T224 PolarHBondContact O-OG1 2.92Å; T224-A228 VanDerWaalsContact O-CB 3.31Å; T224-A228 WeakPolarHBondContact O-CB 3.31Å; T224-A228 PolarHBondContact O-N 2.9Å
225A63.9Low67.4Low62 Ų6299.8 Ų99.851%0.51259%0.588SS.*Hα-helixtrans-70.5-37.6174.100000112K221 V222 T223 A228 A229K221-A225 WeakPolarHBondContact O-CB 3.46Å; K221-A225 PolarHBondContact O-N 3.29Å; V222-A225 PolarHBondContact O-N 3.33Å; T223-A225 VanDerWaalsContact C-N 3.35Å; A225-A228 PolarHBondContact O-N 3.18Å; A225-A229 WeakPolarHBondContact O-CB 3.29Å; A225-A229 PolarHBondContact O-N 3.08Å
226A61.3Low64.8Low56 Ų56104.1 Ų104.146%0.46361%0.606SS.*Hα-helixtrans-68-39.4174.300000112.3V222 T223 A229 A230V222-A226 WeakPolarHBondContact O-CB 3.43Å; V222-A226 PolarHBondContact O-N 2.89Å; T223-A226 PolarHBondContact O-N 2.89Å; A226-A229 PolarHBondContact O-N 3.46Å; A226-A230 WeakPolarHBondContact O-CB 3.42Å; A226-A230 PolarHBondContact O-N 2.91Å
227A59.5Low62.3Low57 Ų57106.7 Ų106.747%0.47162%0.615SS.*Hα-helixtrans-67.1-37.6173.500000112.2T223 A230 T231T223-A227 WeakPolarHBondContact O-CB 3.34Å; T223-A227 PolarHBondContact O-N 2.79Å; A227-A230 PolarHBondContact O-N 3.12Å; A227-T231 PolarHBondContact O-N 3.3Å; A227-T231 VanDerWaalsContact O-N 3.15Å; A227-T231 PolarHBondContact O-OG1 3.34Å
228A59.1Low59.8Low62 Ų62109 Ų10951%0.51263%0.628SS.*Hα-helixtrans-66-38.8172.600000112.1T224 A225 T231 S232T224-A228 VanDerWaalsContact O-CB 3.31Å; T224-A228 WeakPolarHBondContact O-CB 3.31Å; T224-A228 PolarHBondContact O-N 2.9Å; A225-A228 PolarHBondContact O-N 3.18Å; A228-T231 PolarHBondContact O-N 3.27Å; A228-S232 PolarHBondContact O-N 2.93Å; A228-S232 PolarHBondContact O-OG 3.18Å
229A56.3Low57.4Low60 Ų60109 Ų10950%0.49663%0.634SS.*Hα-helixtrans-69.7-34.6175.700000113.1A225 A226 T231 S232A225-A229 WeakPolarHBondContact O-CB 3.29Å; A225-A229 PolarHBondContact O-N 3.08Å; A226-A229 PolarHBondContact O-N 3.46Å; A229-T231 VanDerWaalsContact C-N 3.29Å; A229-T231 PolarHBondContact O-N 2.87Å; A229-S232 WeakPolarHBondContact CA-OG 3.47Å; A229-S232 PolarHBondContact O-N 2.82Å; A229-S232 PolarHBondContact O-OG 2.92Å
230A54.4Low55Low80 Ų80110.1 Ų110.166%0.66164%0.64SS**Hα-helixtrans-71.1-22.1173.800000113.2A226 A227 S232A226-A230 WeakPolarHBondContact O-CB 3.42Å; A226-A230 PolarHBondContact O-N 2.91Å; A227-A230 PolarHBondContact O-N 3.12Å; A230-S232 VanDerWaalsContact C-N 3.33Å
231T53.8Low52.8Low123 Ų123112.7 Ų112.776%0.75565%0.65SS**THydrogen-bonded Turntrans-84.9-8.8175.6-48.70000112.2A227 A228 A229A227-T231 PolarHBondContact O-N 3.3Å; A227-T231 VanDerWaalsContact O-N 3.15Å; A227-T231 PolarHBondContact O-OG1 3.34Å; A228-T231 PolarHBondContact O-N 3.27Å; A229-T231 VanDerWaalsContact C-N 3.29Å; A229-T231 PolarHBondContact O-N 2.87Å
232S49.4Very low50.5Low90 Ų90112 Ų11263%0.62965%0.653SS**THydrogen-bonded Turntrans-96.910.8-179.245.50000115.4A228 A229 A230A228-S232 PolarHBondContact O-N 2.93Å; A228-S232 PolarHBondContact O-OG 3.18Å; A229-S232 WeakPolarHBondContact CA-OG 3.47Å; A229-S232 PolarHBondContact O-N 2.82Å; A229-S232 PolarHBondContact O-OG 2.92Å; A230-S232 VanDerWaalsContact C-N 3.33Å
233Q41.1Very low48.2Very low180 Ų180118.5 Ų118.584%0.84167%0.667SS**SBendtrans-119.188.5164.6-78.5-175.5-18.500109.4
234D33.9Very low46.2Very low147 Ų147122.8 Ų122.879%0.78668%0.681SS**  trans139.9103.7134.4-150.69.5000111.8
235P46.7Very low44.9Very low106 Ų106124.4 Ų124.469%0.68869%0.693SS**  trans-87.4135.5165.734.4-25.4000109.8
236E37.4Very low43.6Very low168 Ų168125.7 Ų125.779%0.78570%0.704SS**  trans99.9126.6158.5-60.2-164.3100.100120
237Q38.8Very low42.7Very low158 Ų158128.9 Ų128.974%0.73872%0.72SS**  trans85.996.4151.6-66.2165.731.700119
238H36.2Very low41.8Very low184 Ų184129.5 Ų129.585%0.85273%0.731SS**  -153.2129.997.3-134.3-116.2000113.2
239L37.7Very low40.7Very low140 Ų140134 Ų13473%0.73375%0.752SS**  trans-63.4172.4172.6-119.984.5000112.4
240T34.5Very low39.6Very low108 Ų108137.5 Ų137.566%0.66376%0.763SS**  trans76130.3155.346.60000116.8
241E36.9Very low38.8Very low156 Ų156140.5 Ų140.573%0.72976%0.763SS**  cis-166.5143.120.1-117.8177.3163.700110.5
242L35.8Very low37.7Very low145 Ų145145.3 Ų145.376%0.75977%0.768SS**  trans56.8116.6137.1-62.8160000120
243R32Very low37.1Very low241 Ų241149.6 Ų149.691%0.90978%0.778SS**  179.1116.488.8-169.3146.6-179.5146.8-2.7112.6
244E30Very low37.4Very low172 Ų172146.1 Ų146.180%0.80477%0.771SS**  trans-75.9180158.4-69.2-166.5119.600111.1
245P43.6Very low37.4Very low118 Ų118144.1 Ų144.177%0.76677%0.768SS**  cis-131.8-178-14.215.711000114.6
246A36.5Very low37Very low89 Ų89148.1 Ų148.174%0.73678%0.775SS**  trans-54.9-166.3175.500000116.3
247P43.4Very low37Very low123 Ų123149.2 Ų149.280%0.79978%0.777SS**  cis-137.7179.40.532.1-7.1000115.5
248G41.2Very low36.7Very low69 Ų69146.5 Ų146.571%0.71178%0.781SS**  trans-74-175.4-165.700000118
249T34.7Very low36.9Very low156 Ų156143.6 Ų143.696%0.95778%0.782SS**  trans-163.1157.8155.711.40000111
250N34.3Very low36.8Very low135 Ų135146.7 Ų146.772%0.72279%0.789SS**  trans-94.7168.4-155.8-155.1-4000112
251Q36.6Very low36.9Very low142 Ų142144.8 Ų144.866%0.66479%0.791SS**  trans72.6130156.7-72.2176.245.200117.1
252R30.7Very low37Very low225 Ų225147.4 Ų147.485%0.84980%0.8SS**  -176.2143.553.5-123.7162-169-163.7-0.2110.5
253Q36.9Very low36.9Very low180 Ų180143.7 Ų143.784%0.84180%0.796SS**  trans-69-176.7159.7-72.6-170.7-12.700111.1
254P47.2Very low37.3Very low107 Ų107140.9 Ų140.970%0.69580%0.799SS**  cis-151.9-173.118.439.4-15000119.1
255S34Very low37.6Very low104 Ų104144.6 Ų144.673%0.72781%0.805SS**  trans101.4146143.886.40000117.5
256K37.8Very low37Very low190 Ų190142.5 Ų142.583%0.82681%0.806SS**  cis-174.2158.1-10.9-116177.6-174.5175.50108
257K37.9Very low37Very low191 Ų191143.8 Ų143.883%0.8381%0.809SS**  trans80.3117.1159.3-66.9172.3-179.5-1770117
258A33.5Very low36.6Very low101 Ų101142.4 Ų142.484%0.83581%0.808SS**  cis83.3113.143.700000114.9
259S38.6Very low36.6Very low123 Ų123148.3 Ų148.386%0.8681%0.814SS**  trans-157.1130.5136.1-174.60000111.9
260K36.6Very low36.8Very low206 Ų206148 Ų14890%0.89681%0.805SS**  trans-56.8165.1167-71.1163.1166.1173.60111.2
261G35.6Very low36.8Very low67 Ų67153 Ų15369%0.69181%0.814SS**  cis161.1-177.76.900000111.6
262K40.8Very low36.9Very low211 Ų211150.9 Ų150.992%0.91782%0.815SS**  trans78.5118.1175.2-62-179.6174.3179.50115.3
263G34Very low37.4Very low67 Ų67149.7 Ų149.769%0.69182%0.816SS**  cis88.493.212.400000112.3
264L38.6Very low37.5Very low182 Ų182146.4 Ų146.495%0.95381%0.813SS**  trans-157.6122.4148.9-108.4130.3000110.1
265R36.8Very low37.2Very low250 Ų250152.6 Ų152.694%0.94384%0.84SS**  trans-126.6142178.9-159.6-176.4-165.7-118.64.2106
266G32Very low37.3Very low75 Ų75155.1 Ų155.177%0.77385%0.846SS**  trans126.7135.2169.800000111.5
267S36.6Very low37.3Very low115 Ų115153.2 Ų153.280%0.80485%0.847SS**  cis-164.4126.312.9-1680000108.4
268A34.7Very low37.3Very low94 Ų94151.1 Ų151.178%0.77785%0.848SS**  trans-91.9118.3167.700000108
269K41.6Very low37.5Very low193 Ų193154.1 Ų154.184%0.83985%0.848SS**  trans-88.7107.6171.9-94.8-179.4176.5175.70109.3
270I37.3Very low37.4Very low150 Ų150156 Ų15677%0.76985%0.848SS**  trans-88.3130.8158.6-69160000106.2
271W35.5Very low37.5Very low239 Ų239152.7 Ų152.791%0.90584%0.844SS**  trans-129.5117163.3-145.2-37000108.7
272S37.4Very low37.6Very low98 Ų98158.8 Ų158.869%0.68586%0.855SS**  trans-100.7146.4168.3-68.20000110.3
273K41Very low37.4Very low201 Ų201154.8 Ų154.887%0.87485%0.851SS**  trans-43.8155.4-175.7-67.1172.9168.4179.50118.3
274S40.4Very low37.7Very low111 Ų111162.1 Ų162.178%0.77686%0.864SS**  175121.3112.2-90.50000112.5
275N40.1Very low37.6Very low237 Ų237160.3 Ų160.3100%1.26786%0.856SS**  -179.30106.2-1119.4000110

Retrieved 275 of 275 residues in 73.3 ms (Link to these results)

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