A0A087XBM5_POEFO Loading...

Actin-related protein 10

Part of the dynactin complex that activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB , UniProt , Accession A0A087XBM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 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
1M38.7Very low46.7Very low226 Ų226103.8 Ų103.8100%1.11367%0.667SS**  01350-75.5177.3-176.900107.6I3M1-I3 PolarHBondContact O-N 2.94Å
2P41.3Very low48Very low85 Ų85103.5 Ų103.555%0.55265%0.651SS**  trans-59.513816925.8-29.8000108.5F4P2-F4 PolarHBondContact O-N 3.44Å
3I52Low50.2Low158 Ų158102.8 Ų102.881%0.8163%0.632SS**THydrogen-bonded Turntrans-61.6-0.4-171.6-67.7163.4000113.2M1M1-I3 PolarHBondContact O-N 2.94Å
4F53.4Low52.7Low56 Ų5698.2 Ų98.225%0.24660%0.604CS.*THydrogen-bonded Turntrans-1216.2-163.4-53.2-58000115.5P2 G6 L81P2-F4 PolarHBondContact O-N 3.44Å; F4-G6 VanDerWaalsContact C-N 3.29Å; F4-G6 PolarHBondContact O-N 3.01Å; F4-L81 HydrophobicContact CD2-CB 4.43Å; F4-L81 HydrophobicContact CE2-CB 3.9Å; F4-L81 HydrophobicContact CE2-CD1 3.86Å; F4-L81 HydrophobicContact CE2-CG 4.49Å; F4-L81 HydrophobicContact CZ-CD1 4.1Å
5D47.9Very low55.1Low88 Ų8892.1 Ų92.147%0.47157%0.567SS.*  trans-74.489.7166.8-91.9-19.9000109.1R87D5-R87 IonicContact OD1-CZ 2.7Å; D5-R87 IonicContact OD1-NH2 3.31Å; D5-R87 PolarHBondContact OD1-NH2 2.84Å
6G47.9Very low57.5Low49 Ų4986.3 Ų86.351%0.50553%0.531SS..  trans-56.8138.6156.700000108.9F4 G8F4-G6 VanDerWaalsContact C-N 3.29Å; F4-G6 PolarHBondContact O-N 3.01Å; G6-G8 PolarHBondContact O-N 3.45Å
7L46.4Very low59.6Low186 Ų18681.2 Ų81.297%0.97450%0.5SS*.  trans-61.482.4176.3-77.9150.9000110.3S9L7-S9 PolarHBondContact O-N 2.65Å
8G45.1Very low61.6Low36 Ų3676.8 Ų76.837%0.37147%0.473SS..  trans-67.6118165.900000109G6 G10G6-G8 PolarHBondContact O-N 3.45Å; G8-G10 PolarHBondContact O-N 3.34Å; G8-G10 VanDerWaalsContact O-N 3.13Å
9S41.7Very low63.3Low109 Ų10973.7 Ų73.776%0.76245%0.453SS*.THydrogen-bonded Turntrans-65.2111.2169.2-170.60000108.3L7 Q366L7-S9 PolarHBondContact O-N 2.65Å; S9-Q366 PolarHBondContact O-NE2 3.42Å
10G47.8Very low64.8Low69 Ų6971.4 Ų71.471%0.71144%0.437SS*.THydrogen-bonded Turntrans119.45173.200000117.4G8 E12G8-G10 PolarHBondContact O-N 3.34Å; G8-G10 VanDerWaalsContact O-N 3.13Å; G10-E12 PolarHBondContact O-N 3.15Å
11G51Low65.9Low80 Ų8068.9 Ų68.983%0.82543%0.426SS*.SBendtrans77.5-1.8173.700000115.8
12E62.8Low68.2Low100 Ų10059.1 Ų59.147%0.46738%0.381SS..PPolyproline II helixtrans-86.9137169.1-68.7-163.5149.400111.3G10 R88G10-E12 PolarHBondContact O-N 3.15Å; E12-R88 IonicContact OE1-NH2 2.78Å; E12-R88 PolarHBondContact OE1-NH2 2.76Å; E12-R88 IonicContact OE2-NH2 3.66Å
13K76.1Confident70.5Confident95 Ų9555.9 Ų55.941%0.41336%0.361SS..PPolyproline II helixtrans-72135.8178.2-71.5175.6174.91690110.3A15 D86 R87K13-A15 PolarHBondContact O-N 2.95Å; K13-D86 HydrophobicContact CD-CB 3.76Å; K13-D86 IonicContact NZ-OD1 3.29Å; K13-D86 IonicContact NZ-OD2 2.76Å; K13-D86 PolarHBondContact NZ-OD2 2.75Å; K13-R87 HydrophobicContact CB-CG 3.78Å; K13-R87 HydrophobicContact CD-CG 4.31Å
14T85.1Confident72.4Confident38 Ų3852 Ų5223%0.23334%0.337CS..PPolyproline II helixtrans-53.7135.4176.854.30000112R87T14-R87 WeakPolarHBondContact O-CD 3.45Å; T14-R87 PolarHBondContact O-NH1 2.72Å; T14-R87 PolarHBondContact OG1-NH1 3.11Å
15A89.4Confident74.3Confident6 Ų649.3 Ų49.35%0.0533%0.326CS..PPolyproline II helixtrans-69.1155.7177.800000111.4K13 A30 R88 L369K13-A15 PolarHBondContact O-N 2.95Å; A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 WeakPolarHBondContact O-CB 3.36Å; A15-A30 PolarHBondContact O-N 3.3Å; A15-R88 WeakPolarHBondContact CA-O 3.38Å; A15-R88 HydrophobicContact CB-CB 4.37Å; A15-L369 HydrophobicContact CB-CD1 3.8Å
16I92.7Very high76.6Confident0 Ų045.6 Ų45.60%031%0.305CS..EExtended strand (participates in β ladder)trans-98.9135.1178-64.8169.2000108.5I18 F29 Y76 L80 V82 R87 R88 V89 V90I16-I18 HydrophobicContact CG2-CD1 4.24Å; I16-I18 HydrophobicContact CG2-CG1 3.91Å; I16-F29 HydrophobicContact CG1-CD1 4.35Å; I16-F29 HydrophobicContact CG1-CE1 4.25Å; I16-Y76 HydrophobicContact CD1-CD1 4.24Å; I16-Y76 HydrophobicContact CD1-CE1 3.28Å; I16-L80 HydrophobicContact CD1-CD1 4.15Å; I16-L80 HydrophobicContact CG1-CD1 4.41Å; I16-L80 HydrophobicContact CG2-CD1 3.44Å; I16-L80 VanDerWaalsContact CG2-CD1 3.44Å; I16-V82 HydrophobicContact CD1-CG2 3.75Å; I16-R87 HydrophobicContact CD1-CB 4.02Å; I16-R87 HydrophobicContact CG1-CB 4.25Å; I16-R88 PolarHBondContact N-O 3.42Å; I16-V89 CarbonylContact O-C 3.54Å; I16-V89 WeakPolarHBondContact O-CA 3.34Å; I16-V90 PolarHBondContact O-N 3.48Å
17V94.7Very high78.8Confident0 Ų043.3 Ų43.30%028%0.281CS..EExtended strand (participates in β ladder)trans-113.6122.9-179.9-174.60000108.8C27 G28 A30 V90 I92 W356 A360V17-C27 WeakPolarHBondContact O-CA 3.48Å; V17-G28 PolarHBondContact N-O 2.79Å; V17-G28 PolarHBondContact O-N 3.11Å; V17-A30 HydrophobicContact CG2-CB 4.09Å; V17-V90 WeakPolarHBondContact CA-O 3.28Å; V17-V90 HydrophobicContact CG2-CB 4.43Å; V17-I92 HydrophobicContact CG1-CD1 3.63Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; V17-W356 HydrophobicContact CB-CZ2 4.1Å; V17-W356 HydrophobicContact CG1-CG 4.41Å; V17-W356 PolarHBondContact O-NE1 2.82Å; V17-W356 VanDerWaalsContact O-NE1 3.14Å; V17-A360 HydrophobicContact CG2-CB 4.23Å
18I95.2Very high81Confident1 Ų134.4 Ų34.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-124.4121.6-179.4-51.7178.4000108.3I16 L20 T25 L75 Y76 V89 V90 I91 I92 F109I16-I18 HydrophobicContact CG2-CD1 4.24Å; I16-I18 HydrophobicContact CG2-CG1 3.91Å; I18-L20 HydrophobicContact CG2-CD2 3.93Å; I18-L20 HydrophobicContact CG2-CG 3.91Å; I18-T25 HydrophobicContact CG2-CG2 4.09Å; I18-L75 HydrophobicContact CD1-CD1 4.42Å; I18-L75 HydrophobicContact CD1-CD2 4.09Å; I18-L75 HydrophobicContact CG1-CD2 4.46Å; I18-L75 HydrophobicContact CG2-CD1 4.04Å; I18-Y76 HydrophobicContact CD1-CE2 4.39Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.28Å; I18-V90 PolarHBondContact N-O 3.19Å; I18-I91 CarbonylContact O-C 3.6Å; I18-I91 WeakPolarHBondContact O-CA 3.27Å; I18-I92 PolarHBondContact O-N 3.23Å; I18-F109 HydrophobicContact CD1-CE1 4.29Å; I18-F109 HydrophobicContact CD1-CZ 3.89Å
19D94.5Very high83.2Confident18 Ų1832.9 Ų32.910%0.09622%0.218CC..EExtended strand (participates in β ladder)trans-108.3106.2171.2173.19.9000107.9T25 K26 I92 W356D19-T25 CarbonylContact O-C 3.57Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.47Å; D19-T25 WeakPolarHBondContact O-CG2 3.43Å; D19-K26 HydrophobicContact CB-CB 4.16Å; D19-K26 PolarHBondContact N-O 3.44Å; D19-K26 PolarHBondContact O-N 2.9Å; D19-K26 IonicContact OD2-NZ 2.81Å; D19-K26 PolarHBondContact OD2-NZ 2.88Å; D19-I92 HydrophobicContact CB-CB 4.14Å; D19-I92 HydrophobicContact CB-CD1 4.01Å; D19-W356 HydrophobicContact CB-CB 4.33Å
20L91.5Very high85.6Confident27 Ų2728.1 Ų28.114%0.14119%0.185CC..EExtended strand (participates in β ladder)trans-91.599.3-177.8-69.8171.3000109.9I18 T25 F71 I91 F101 L105I18-L20 HydrophobicContact CG2-CD2 3.93Å; I18-L20 HydrophobicContact CG2-CG 3.91Å; L20-T25 HydrophobicContact CD2-CG2 3.82Å; L20-F71 HydrophobicContact CD2-CD1 4.37Å; L20-F71 HydrophobicContact CD2-CE1 3.78Å; L20-I91 HydrophobicContact CD1-CG2 4.35Å; L20-F101 HydrophobicContact CD1-CE1 4.41Å; L20-F101 HydrophobicContact CD1-CZ 4.5Å; L20-L105 HydrophobicContact CD1-CD1 3.76Å; L20-L105 HydrophobicContact CD1-CD2 3.63Å; L20-L105 HydrophobicContact CD1-CG 4.37Å
21G88Confident87.4Confident19 Ų1927.5 Ų27.520%0.19618%0.179CC..  trans-97.9161.1172.400000112.9A23 Y24 S41 V55G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 3.04Å; G21-Y24 VanDerWaalsContact CA-O 3.28Å; G21-Y24 WeakPolarHBondContact CA-O 3.48Å; G21-Y24 PolarHBondContact N-O 2.96Å; G21-S41 VanDerWaalsContact O-CB 3.23Å; G21-S41 WeakPolarHBondContact O-CB 3.49Å; G21-S41 PolarHBondContact O-OG 2.68Å; G21-V55 WeakPolarHBondContact O-CG2 3.43Å
22A87.6Confident89.2Confident21 Ų2126 Ų2617%0.17415%0.15CC..SBendtrans-66-31.3177.100000114Y143 T144A22-Y143 HydrophobicContact CB-CD1 4.15Å; A22-T144 WeakPolarHBondContact CB-OG1 3.44Å
23A89.1Confident90.4Very high17 Ų1727.6 Ų27.614%0.1417%0.167CC..SBendtrans-102.3-46.7177.600000112.7G21 P40 S41 Y143G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 3.04Å; A23-P40 WeakPolarHBondContact O-CA 3.46Å; A23-S41 PolarHBondContact O-N 3.43Å; A23-Y143 HydrophobicContact CB-CD1 3.95Å; A23-Y143 HydrophobicContact CB-CD2 3.92Å; A23-Y143 HydrophobicContact CB-CE1 4.45Å; A23-Y143 HydrophobicContact CB-CE2 4.47Å; A23-Y143 HydrophobicContact CB-CG 3.64Å
24Y92.4Very high91Very high77 Ų7724.4 Ų24.430%0.30216%0.161SC..EExtended strand (participates in β ladder)trans-130.2139-176.5-70.1-85000111.3G21 I38 I39 E208G21-Y24 VanDerWaalsContact CA-O 3.28Å; G21-Y24 WeakPolarHBondContact CA-O 3.48Å; G21-Y24 PolarHBondContact N-O 2.96Å; Y24-I38 HydrophobicContact CD1-CG2 4.02Å; Y24-I38 HydrophobicContact CG-CG2 4.37Å; Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.19Å; Y24-E208 WeakPolarHBondContact CE2-OE1 3.5Å; Y24-E208 WeakPolarHBondContact CE2-OE2 3.5Å; Y24-E208 PolarHBondContact OH-OE2 2.95Å
25T94.3Very high91.4Very high0 Ų023.8 Ų23.80%016%0.158CC..EExtended strand (participates in β ladder)trans-105.3132.6169.8-65.90000109.5I18 D19 L20 I39 S41 F71 L75I18-T25 HydrophobicContact CG2-CG2 4.09Å; D19-T25 CarbonylContact O-C 3.57Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.47Å; D19-T25 WeakPolarHBondContact O-CG2 3.43Å; L20-T25 HydrophobicContact CD2-CG2 3.82Å; T25-I39 HydrophobicContact CG2-CG1 4.49Å; T25-I39 PolarHBondContact N-O 3.06Å; T25-I39 PolarHBondContact O-N 3.25Å; T25-S41 PolarHBondContact N-OG 2.65Å; T25-S41 VanDerWaalsContact N-OG 3.12Å; T25-S41 PolarHBondContact OG1-OG 2.81Å; T25-F71 HydrophobicContact CG2-CE1 3.91Å; T25-F71 HydrophobicContact CG2-CZ 3.94Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.44Å; T25-L75 HydrophobicContact CG2-CD1 3.96Å
26K94.6Very high91.5Very high10 Ų1027.7 Ų27.74%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-110.2133.1176.9-54.5165.1-167.380.30108.6D19 P35 I38 N352 W356D19-K26 HydrophobicContact CB-CB 4.16Å; D19-K26 PolarHBondContact N-O 3.44Å; D19-K26 PolarHBondContact O-N 2.9Å; D19-K26 IonicContact OD2-NZ 2.81Å; D19-K26 PolarHBondContact OD2-NZ 2.88Å; K26-P35 HydrophobicContact CB-CB 4.08Å; K26-P35 HydrophobicContact CB-CG 4.41Å; K26-I38 HydrophobicContact CG-CG1 4.12Å; K26-I38 HydrophobicContact CG-CG2 4.08Å; K26-N352 VanDerWaalsContact CE-CG 3.42Å; K26-N352 WeakPolarHBondContact CE-O 3.5Å; K26-N352 WeakPolarHBondContact CE-OD1 3.33Å; K26-N352 PolarHBondContact NZ-OD1 3.06Å; K26-W356 HydrophobicContact CB-CB 4.38Å; K26-W356 HydrophobicContact CB-CG 4.11Å; K26-W356 HydrophobicContact CD-CB 4.25Å
27C94.1Very high91.5Very high0 Ų031.4 Ų31.40%019%0.187CC..EExtended strand (participates in β ladder)trans-139.9150.8179.268.80000112.5V17 R36 F37 L75 L80V17-C27 WeakPolarHBondContact O-CA 3.48Å; C27-R36 PolarHBondContact O-N 3.4Å; C27-F37 PolarHBondContact N-O 3.17Å; C27-F37 PolarHBondContact O-N 3.27Å; C27-F37 VanDerWaalsContact O-N 3.12Å; C27-L75 HydrophobicContact CB-CD1 4.09Å; C27-L75 HydrophobicContact CB-CD2 4.05Å; C27-L75 HydrophobicContact CB-CG 4.18Å; C27-L80 HydrophobicContact CB-CD2 4.36Å
28G93.4Very high91.5Very high0 Ų035.2 Ų35.20%021%0.207CC..EExtended strand (participates in β ladder)trans175.2-159.5177.400000111.1V17V17-G28 PolarHBondContact N-O 2.79Å; V17-G28 PolarHBondContact O-N 3.11Å
29F91.9Very high91.4Very high3 Ų335.9 Ų35.91%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-107.1149.8-177.4-61.3-91000111.7I16 E32 R36 L80 V82I16-F29 HydrophobicContact CG1-CD1 4.35Å; I16-F29 HydrophobicContact CG1-CE1 4.25Å; F29-E32 HydrophobicContact CB-CG 4.13Å; F29-E32 PolarHBondContact N-OE2 2.8Å; F29-E32 VanDerWaalsContact N-OE2 3.07Å; F29-E32 PolarHBondContact O-N 2.79Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.41Å; F29-L80 HydrophobicContact CE2-CD2 4.19Å; F29-L80 HydrophobicContact CZ-CD2 4.42Å; F29-V82 HydrophobicContact CE1-CG1 4.08Å; F29-V82 HydrophobicContact CE1-CG2 4.31Å; F29-V82 HydrophobicContact CZ-CG1 3.86Å; F29-V82 HydrophobicContact CZ-CG2 4.3Å
30A90.6Very high91.2Very high9 Ų938 Ų387%0.07423%0.225CC..THydrogen-bonded Turntrans-61.7141.8170.500000110.8A15 V17 E32 G363A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 WeakPolarHBondContact O-CB 3.36Å; A15-A30 PolarHBondContact O-N 3.3Å; V17-A30 HydrophobicContact CG2-CB 4.09Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-G363 VanDerWaalsContact CB-C 3.49Å
31G86.3Confident91.2Very high56 Ų5636.8 Ų36.858%0.57722%0.219SC*.THydrogen-bonded Turntrans84.6-5.8-176.400000115.3A360G31-A360 PolarHBondContact N-O 2.97Å
32E89.4Confident91.3Very high49 Ų4938.1 Ų38.123%0.22922%0.22CC..  trans-81.2148.6173.2-63-176.3146.400111.6F29 A30 G34 R36 W356F29-E32 HydrophobicContact CB-CG 4.13Å; F29-E32 PolarHBondContact N-OE2 2.8Å; F29-E32 VanDerWaalsContact N-OE2 3.07Å; F29-E32 PolarHBondContact O-N 2.79Å; A30-E32 VanDerWaalsContact C-N 3.32Å; E32-G34 PolarHBondContact O-N 3.06Å; E32-R36 IonicContact OE1-CZ 3.35Å; E32-R36 IonicContact OE1-NE 3.53Å; E32-R36 PolarHBondContact OE1-NE 2.87Å; E32-R36 IonicContact OE1-NH2 2.82Å; E32-R36 PolarHBondContact OE1-NH2 2.72Å; E32-R36 VanDerWaalsContact OE2-CG 3.26Å; E32-R36 WeakPolarHBondContact OE2-CG 3.4Å; E32-R36 IonicContact OE2-NE 3.48Å; E32-R36 PolarHBondContact OE2-NE 2.73Å; E32-W356 HydrophobicContact CB-CH2 4.22Å
33T86.9Confident91.2Very high134 Ų13437.3 Ų37.382%0.82221%0.213SC*.SBendtrans-74.9-8.8-177.754.90000113.9
34G90.1Very high91Very high28 Ų2844.4 Ų44.429%0.28924%0.236SC..SBendtrans-169.9161.8179.500000111.6E32 W356E32-G34 PolarHBondContact O-N 3.06Å; G34-W356 VanDerWaalsContact C-CH2 3.42Å; G34-W356 VanDerWaalsContact CA-CZ3 3.47Å; G34-W356 VanDerWaalsContact O-CH2 3.25Å; G34-W356 WeakPolarHBondContact O-CH2 3.49Å; G34-W356 WeakPolarHBondContact O-CZ3 3.28Å
35P93.1Very high90.3Very high25 Ų2544.3 Ų44.316%0.16224%0.237CC..  trans-65.9141.1-17926.9-32.8000110.1K26 I38 C353 W356K26-P35 HydrophobicContact CB-CB 4.08Å; K26-P35 HydrophobicContact CB-CG 4.41Å; P35-I38 HydrophobicContact CB-CG1 4.45Å; P35-I38 HydrophobicContact CG-CD1 4.07Å; P35-I38 HydrophobicContact CG-CG1 4Å; P35-C353 HydrophobicContact CG-CB 4.45Å; P35-W356 HydrophobicContact CB-CD2 3.69Å; P35-W356 HydrophobicContact CB-CE3 4Å; P35-W356 HydrophobicContact CB-CG 4.14Å; P35-W356 HydrophobicContact CB-CH2 4.42Å; P35-W356 HydrophobicContact CB-CZ2 4.13Å; P35-W356 HydrophobicContact CB-CZ3 4.38Å; P35-W356 VanDerWaalsContact CD-CE3 3.48Å; P35-W356 HydrophobicContact CG-CD2 4.23Å; P35-W356 HydrophobicContact CG-CE3 4.24Å
36R90.8Very high89.4Confident87 Ų8750.6 Ų50.633%0.32828%0.278SS..SBendtrans-70.8-40175.5-69-167.1176.1-172.53.2112C27 F29 E32C27-R36 PolarHBondContact O-N 3.4Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.41Å; E32-R36 IonicContact OE1-CZ 3.35Å; E32-R36 IonicContact OE1-NE 3.53Å; E32-R36 PolarHBondContact OE1-NE 2.87Å; E32-R36 IonicContact OE1-NH2 2.82Å; E32-R36 PolarHBondContact OE1-NH2 2.72Å; E32-R36 VanDerWaalsContact OE2-CG 3.26Å; E32-R36 WeakPolarHBondContact OE2-CG 3.4Å; E32-R36 IonicContact OE2-NE 3.48Å; E32-R36 PolarHBondContact OE2-NE 2.73Å
37F93.5Very high88.4Confident78 Ų7854.3 Ų54.334%0.34232%0.319SS..EExtended strand (participates in β ladder)trans-134.1135.4-177.1-56.9-79.4000110.4C27 I39 H79C27-F37 PolarHBondContact N-O 3.17Å; C27-F37 PolarHBondContact O-N 3.27Å; C27-F37 VanDerWaalsContact O-N 3.12Å; F37-I39 HydrophobicContact CB-CG2 4.36Å; F37-H79 HydrophobicContact CB-CB 4.42Å; F37-H79 AromaticContact CD1-ND1 3.78Å; F37-H79 HydrophobicContact CD2-CB 3.72Å; F37-H79 HydrophobicContact CE2-CB 4.09Å; F37-H79 WeakPolarHBondContact CE2-O 3.46Å; F37-H79 HydrophobicContact CG-CB 4Å; F37-H79 AromaticContact CG-ND1 3.84Å
38I93.6Very high87.6Confident81 Ų8159.5 Ų59.542%0.41534%0.343SS..EExtended strand (participates in β ladder)trans-117.9112.7168.9-52-176.7000105.1Y24 K26 P35Y24-I38 HydrophobicContact CD1-CG2 4.02Å; Y24-I38 HydrophobicContact CG-CG2 4.37Å; K26-I38 HydrophobicContact CG-CG1 4.12Å; K26-I38 HydrophobicContact CG-CG2 4.08Å; P35-I38 HydrophobicContact CB-CG1 4.45Å; P35-I38 HydrophobicContact CG-CD1 4.07Å; P35-I38 HydrophobicContact CG-CG1 4Å
39I93.1Very high86.4Confident15 Ų1569.6 Ų69.68%0.07739%0.39CS..EExtended strand (participates in β ladder)trans-118.3147-175.761.3176000109.7Y24 T25 F37 F71 H79Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.19Å; T25-I39 HydrophobicContact CG2-CG1 4.49Å; T25-I39 PolarHBondContact N-O 3.06Å; T25-I39 PolarHBondContact O-N 3.25Å; F37-I39 HydrophobicContact CB-CG2 4.36Å; I39-F71 HydrophobicContact CD1-CE2 3.85Å; I39-F71 HydrophobicContact CD1-CZ 3.75Å; I39-F71 HydrophobicContact CG1-CE2 4.5Å; I39-F71 HydrophobicContact CG1-CZ 4.23Å; I39-H79 VanDerWaalsContact CG2-CE1 3.48Å; I39-H79 WeakPolarHBondContact CG2-CE1 3.42Å
40P91.3Very high85.5Confident63 Ų6377.4 Ų77.441%0.40943%0.427SS..EExtended strand (participates in β ladder)trans-61.2140170.526.7-33.3000109.5A23 E42A23-P40 WeakPolarHBondContact O-CA 3.46Å; P40-E42 HydrophobicContact CB-CG 4.32Å; P40-E42 PolarHBondContact O-N 3.24Å
41S90.4Very high85Confident0 Ų078.1 Ų78.10%043%0.433CS..SBendtrans-78.551.6179.4-65.50000111.3G21 A23 T25 V54G21-S41 VanDerWaalsContact O-CB 3.23Å; G21-S41 WeakPolarHBondContact O-CB 3.49Å; G21-S41 PolarHBondContact O-OG 2.68Å; A23-S41 PolarHBondContact O-N 3.43Å; T25-S41 PolarHBondContact N-OG 2.65Å; T25-S41 VanDerWaalsContact N-OG 3.12Å; T25-S41 PolarHBondContact OG1-OG 2.81Å; S41-V54 WeakPolarHBondContact O-CB 3.33Å; S41-V54 WeakPolarHBondContact O-CG2 3.27Å; S41-V54 PolarHBondContact O-N 3.11Å
42E89.9Confident84.9Confident48 Ų4877.1 Ų77.122%0.22442%0.415CS..EExtended strand (participates in β ladder)trans-138.4147.1-172.6-48.3-172.4171.300111.1P40 A51 T52 K53P40-E42 HydrophobicContact CB-CG 4.32Å; P40-E42 PolarHBondContact O-N 3.24Å; E42-A51 HydrophobicContact CB-CB 4Å; E42-A51 WeakPolarHBondContact OE2-CB 3.42Å; E42-T52 CarbonylContact C-O 3.59Å; E42-T52 WeakPolarHBondContact CA-O 2.78Å; E42-K53 HydrophobicContact CG-CG 4.36Å
43I87.4Confident84.7Confident3 Ų377.5 Ų77.52%0.01542%0.416CS..EExtended strand (participates in β ladder)trans-117128176.3-52.5176.7000108.4K45 T52 V54 I67 E70 F71 I74I43-K45 HydrophobicContact CG2-CG 4.43Å; I43-T52 PolarHBondContact N-O 3.02Å; I43-T52 PolarHBondContact O-N 3.4Å; I43-V54 HydrophobicContact CD1-CG2 4.04Å; I43-V54 HydrophobicContact CG1-CG2 3.65Å; I43-I67 HydrophobicContact CD1-CG2 3.79Å; I43-I67 WeakPolarHBondContact CD1-O 3.29Å; I43-E70 HydrophobicContact CD1-CB 4.07Å; I43-E70 HydrophobicContact CD1-CG 4.25Å; I43-E70 HydrophobicContact CG2-CG 4.06Å; I43-E70 WeakPolarHBondContact CG2-OE1 3.32Å; I43-F71 HydrophobicContact CD1-CB 3.81Å; I43-F71 HydrophobicContact CG1-CB 4.23Å; I43-F71 HydrophobicContact CG1-CD2 4.17Å; I43-I74 HydrophobicContact CG2-CD1 4.47Å
44R84Confident84.6Confident166 Ų16671.1 Ų71.163%0.62638%0.377SS*.  trans-100.2104.8171.5-65.8-175.4-178.5-172.50.9108.7A51 E205R44-A51 HydrophobicContact CG-CB 3.84Å; R44-E205 IonicContact CZ-OE1 3.84Å; R44-E205 IonicContact NH2-OE1 3.53Å; R44-E205 PolarHBondContact NH2-OE1 3.38Å; R44-E205 IonicContact NH2-OE2 2.96Å; R44-E205 PolarHBondContact NH2-OE2 2.95Å
45K78.1Confident84.2Confident75 Ų7570.6 Ų70.633%0.32637%0.368SS..  trans-77139.9174.8-72.2-178.6179.1174.80110.2I43 G47 Q48 E70I43-K45 HydrophobicContact CG2-CG 4.43Å; K45-G47 PolarHBondContact O-N 3.28Å; K45-G47 VanDerWaalsContact O-N 3.13Å; K45-Q48 PolarHBondContact O-N 2.96Å; K45-Q48 VanDerWaalsContact O-N 3.12Å; K45-E70 VanDerWaalsContact CE-OE2 3.27Å; K45-E70 WeakPolarHBondContact CE-OE2 3.28Å
46P75.4Confident83.7Confident133 Ų13372.4 Ų72.486%0.86438%0.375SS*.THydrogen-bonded Turntrans-60.5119.417624.6-31.9000109.7
47G73.1Confident83.1Confident87 Ų8772.6 Ų72.690%0.89738%0.376SS*.THydrogen-bonded Turntrans100.4-7.9-17900000115.8K45K45-G47 PolarHBondContact O-N 3.28Å; K45-G47 VanDerWaalsContact O-N 3.13Å
48Q77.8Confident82.5Confident109 Ų10976.9 Ų76.951%0.50940%0.403SS..  trans-100.5129.9169.4-75.9-179-27.600110.5K45K45-Q48 PolarHBondContact O-N 2.96Å; K45-Q48 VanDerWaalsContact O-N 3.12Å
49Q67Low82.1Confident213 Ų21374.5 Ų74.5100%0.99539%0.39SS*.SBendtrans-74.2-28.5176.2-74.3-175.9-13.600112.5
50Q73.4Confident81.9Confident167 Ų16778.1 Ų78.178%0.7841%0.41SS*.SBendtrans-100.5133.4-178.6-161.2166.528.200111.1
51A80.9Confident81.7Confident24 Ų2477.9 Ų77.920%0.19841%0.407CS..PPolyproline II helixtrans-70.6136.517500000110.3E42 R44E42-A51 HydrophobicContact CB-CB 4Å; E42-A51 WeakPolarHBondContact OE2-CB 3.42Å; R44-A51 HydrophobicContact CG-CB 3.84Å
52T83Confident81.7Confident34 Ų3484.8 Ų84.821%0.20944%0.44CS..EExtended strand (participates in β ladder)trans-90.8121.9176.2-57.90000109.2E42 I43 I67E42-T52 CarbonylContact C-O 3.59Å; E42-T52 WeakPolarHBondContact CA-O 2.78Å; I43-T52 PolarHBondContact N-O 3.02Å; I43-T52 PolarHBondContact O-N 3.4Å; T52-I67 HydrophobicContact CG2-CD1 4.17Å
53K86.5Confident81.6Confident57 Ų5787.7 Ų87.725%0.24845%0.453CS..EExtended strand (participates in β ladder)trans-66.8136.5175.3-65-175.4177.51730110.7E42 Q56 E204E42-K53 HydrophobicContact CG-CG 4.36Å; K53-Q56 WeakPolarHBondContact O-CG 3.47Å; K53-Q56 PolarHBondContact O-NE2 3.11Å; K53-E204 IonicContact NZ-OE1 3.21Å; K53-E204 PolarHBondContact NZ-OE1 2.88Å; K53-E204 IonicContact NZ-OE2 3.73Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å
54V84.8Confident81.7Confident0 Ų087.6 Ų87.60%045%0.453CS..SBendtrans-77.5-44.5-175.31760000111.8S41 I43 Q56 I67 L68 F71S41-V54 WeakPolarHBondContact O-CB 3.33Å; S41-V54 WeakPolarHBondContact O-CG2 3.27Å; S41-V54 PolarHBondContact O-N 3.11Å; I43-V54 HydrophobicContact CD1-CG2 4.04Å; I43-V54 HydrophobicContact CG1-CG2 3.65Å; V54-Q56 PolarHBondContact O-N 3.26Å; V54-I67 HydrophobicContact CB-CG2 4.42Å; V54-I67 HydrophobicContact CG1-CG2 4.32Å; V54-I67 HydrophobicContact CG2-CG2 4.46Å; V54-L68 HydrophobicContact CG1-CD2 3.8Å; V54-F71 HydrophobicContact CB-CG 4.36Å; V54-F71 HydrophobicContact CG1-CB 4Å; V54-F71 HydrophobicContact CG1-CD1 3.78Å; V54-F71 HydrophobicContact CG1-CD2 4.46Å; V54-F71 HydrophobicContact CG1-CE1 4.34Å; V54-F71 HydrophobicContact CG1-CG 3.83Å; V54-F71 HydrophobicContact CG2-CB 3.98Å; V54-F71 HydrophobicContact CG2-CD1 4.27Å; V54-F71 HydrophobicContact CG2-CD2 3.46Å; V54-F71 VanDerWaalsContact CG2-CD2 3.46Å; V54-F71 HydrophobicContact CG2-CE2 3.93Å; V54-F71 HydrophobicContact CG2-CG 3.64Å; V54-F71 HydrophobicContact CG2-CZ 4.49Å
55V81.8Confident82.1Confident17 Ų1782.6 Ų82.610%0.10343%0.434CS..  trans-87.897.6-176.3-175.30000108.6G21 Y57 F101G21-V55 WeakPolarHBondContact O-CG2 3.43Å; V55-Y57 HydrophobicContact CG1-CE1 3.71Å; V55-Y57 HydrophobicContact CG1-CE2 4.46Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.31Å; V55-F101 HydrophobicContact CG1-CE2 4.31Å; V55-F101 HydrophobicContact CG1-CZ 4.33Å; V55-F101 HydrophobicContact CG2-CZ 4.3Å
56Q82.3Confident82.8Confident64 Ų6481.4 Ų81.430%0.29944%0.439SS..  trans-129.2138.2175.9-56.8-172.716.400109.6K53 V54 I59K53-Q56 WeakPolarHBondContact O-CG 3.47Å; K53-Q56 PolarHBondContact O-NE2 3.11Å; V54-Q56 PolarHBondContact O-N 3.26Å; Q56-I59 HydrophobicContact CB-CG2 4.24Å
57Y78.8Confident83.5Confident90 Ų9075.2 Ų75.235%0.35340%0.398SS..SBendtrans-103.4-24.8-171.8-57.3-53.4000114.1V55 P98 F101V55-Y57 HydrophobicContact CG1-CE1 3.71Å; V55-Y57 HydrophobicContact CG1-CE2 4.46Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.31Å; Y57-P98 HydrophobicContact CD1-CG 3.63Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 3.93Å; Y57-F101 HydrophobicContact CD1-CB 4.44Å
58N79.5Confident84.4Confident169 Ų16971.1 Ų71.190%0.90436%0.355SS*.SBendtrans-114.756.2-174-64-16.3000111.6
59I85.2Confident85.2Confident30 Ų3069.8 Ų69.815%0.15435%0.348CS..SBendtrans-129.9163.2-176-169.4166.1000110.5Q56 E63 L64 I67Q56-I59 HydrophobicContact CB-CG2 4.24Å; I59-E63 HydrophobicContact CD1-CB 4.14Å; I59-E63 VanDerWaalsContact CD1-CD 3.48Å; I59-E63 HydrophobicContact CD1-CG 3.67Å; I59-E63 HydrophobicContact CG1-CB 4.11Å; I59-E63 HydrophobicContact CG1-CG 4.15Å; I59-E63 WeakPolarHBondContact CG1-OE2 3.39Å; I59-L64 HydrophobicContact CG2-CB 3.76Å; I59-L64 HydrophobicContact CG2-CD1 4.12Å; I59-L64 HydrophobicContact CG2-CD2 4.33Å; I59-L64 HydrophobicContact CG2-CG 4.28Å; I59-I67 HydrophobicContact CD1-CD1 4.02Å
60N89.8Confident86.4Confident92 Ų9262.6 Ų62.649%0.49232%0.315SS..  trans-65.4144.2174.7-171.317.3000111.6E62 E63 L64N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.44Å; N60-E63 HydrophobicContact CB-CB 4.43Å; N60-E63 PolarHBondContact O-N 3.02Å; N60-L64 WeakPolarHBondContact O-CB 3.07Å; N60-L64 PolarHBondContact O-N 3.42Å
61T87.6Confident87.4Confident58 Ų5854.9 Ų54.936%0.35628%0.278SS..Hα-helixtrans-53.1-45.1179.551.20000113.5Y65 H100T61-Y65 VanDerWaalsContact O-CB 3.25Å; T61-Y65 WeakPolarHBondContact O-CB 3.34Å; T61-Y65 PolarHBondContact O-N 2.84Å; T61-H100 WeakPolarHBondContact CG2-CE1 3.08Å
62E89.4Confident88Confident145 Ų14553.9 Ų53.968%0.67827%0.27SS*.Hα-helixtrans-69.9-38.8-175.6-63.4-176.4170.500111.9N60 Y65 A66N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.44Å; E62-Y65 PolarHBondContact O-N 2.89Å; E62-A66 PolarHBondContact O-N 3.43Å
63E88.9Confident88.5Confident109 Ų10956.8 Ų56.851%0.50928%0.281SS..Hα-helixtrans-69.5-45177.8-171.7174.2-171.500110.8I59 N60 Y65 A66 I67I59-E63 HydrophobicContact CD1-CB 4.14Å; I59-E63 VanDerWaalsContact CD1-CD 3.48Å; I59-E63 HydrophobicContact CD1-CG 3.67Å; I59-E63 HydrophobicContact CG1-CB 4.11Å; I59-E63 HydrophobicContact CG1-CG 4.15Å; I59-E63 WeakPolarHBondContact CG1-OE2 3.39Å; N60-E63 HydrophobicContact CB-CB 4.43Å; N60-E63 PolarHBondContact O-N 3.02Å; E63-Y65 VanDerWaalsContact C-N 3.29Å; E63-Y65 PolarHBondContact O-N 3.43Å; E63-A66 PolarHBondContact O-N 3.3Å; E63-I67 HydrophobicContact CG-CD1 4.09Å; E63-I67 VanDerWaalsContact O-CG1 3.32Å; E63-I67 WeakPolarHBondContact O-CG1 3.35Å; E63-I67 PolarHBondContact O-N 3.27Å
64L89.1Confident88.7Confident1 Ų156.6 Ų56.61%0.00528%0.282CS..Hα-helixtrans-58.5-42.6172.9-175.758.6000111.7I59 N60 A66 I67 L68 F101 T104I59-L64 HydrophobicContact CG2-CB 3.76Å; I59-L64 HydrophobicContact CG2-CD1 4.12Å; I59-L64 HydrophobicContact CG2-CD2 4.33Å; I59-L64 HydrophobicContact CG2-CG 4.28Å; N60-L64 WeakPolarHBondContact O-CB 3.07Å; N60-L64 PolarHBondContact O-N 3.42Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.66Å; L64-I67 PolarHBondContact O-N 2.91Å; L64-L68 HydrophobicContact CD1-CD1 4.02Å; L64-L68 HydrophobicContact CD1-CG 4.09Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.37Å; L64-L68 WeakPolarHBondContact O-CB 3.14Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.27Å; L64-F101 HydrophobicContact CD1-CD2 4.07Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.05Å; L64-T104 HydrophobicContact CB-CG2 4.18Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.88Å
65Y92.1Very high89.1Confident60 Ų6056.6 Ų56.624%0.23528%0.282CS..Hα-helixtrans-61.1-43.4177.1-177.1-88.8000111.7T61 E62 E63 K69 T104 K107 V108T61-Y65 VanDerWaalsContact O-CB 3.25Å; T61-Y65 WeakPolarHBondContact O-CB 3.34Å; T61-Y65 PolarHBondContact O-N 2.84Å; E62-Y65 PolarHBondContact O-N 2.89Å; E63-Y65 VanDerWaalsContact C-N 3.29Å; E63-Y65 PolarHBondContact O-N 3.43Å; Y65-K69 HydrophobicContact CE1-CD 4.45Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3.38Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; Y65-K107 HydrophobicContact CD2-CB 4.33Å; Y65-K107 HydrophobicContact CE2-CB 4.07Å; Y65-V108 HydrophobicContact CD2-CG2 3.35Å; Y65-V108 HydrophobicContact CE2-CB 4.23Å; Y65-V108 HydrophobicContact CE2-CG2 3.45Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.45Å; Y65-V108 HydrophobicContact CG-CG2 4.01Å
66A91.9Very high89.5Confident51 Ų5155.8 Ų55.842%0.42128%0.277SS..Hα-helixtrans-64.6-45.4177.600000112E62 E63 L64 K69 E70E62-A66 PolarHBondContact O-N 3.43Å; E63-A66 PolarHBondContact O-N 3.3Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.66Å; A66-K69 PolarHBondContact O-N 3.25Å; A66-E70 PolarHBondContact O-N 3.24Å
67I91.6Very high89.9Confident3 Ų358.2 Ų58.22%0.01529%0.287CS..Hα-helixtrans-61.4-50.4177.8-68.1168000110.5I43 T52 V54 I59 E63 L64 K69 E70 F71I43-I67 HydrophobicContact CD1-CG2 3.79Å; I43-I67 WeakPolarHBondContact CD1-O 3.29Å; T52-I67 HydrophobicContact CG2-CD1 4.17Å; V54-I67 HydrophobicContact CB-CG2 4.42Å; V54-I67 HydrophobicContact CG1-CG2 4.32Å; V54-I67 HydrophobicContact CG2-CG2 4.46Å; I59-I67 HydrophobicContact CD1-CD1 4.02Å; E63-I67 HydrophobicContact CG-CD1 4.09Å; E63-I67 VanDerWaalsContact O-CG1 3.32Å; E63-I67 WeakPolarHBondContact O-CG1 3.35Å; E63-I67 PolarHBondContact O-N 3.27Å; L64-I67 PolarHBondContact O-N 2.91Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.98Å; I67-E70 PolarHBondContact O-N 3.38Å; I67-F71 WeakPolarHBondContact O-CB 3.31Å; I67-F71 PolarHBondContact O-N 3.08Å
68L92.3Very high90.4Very high0 Ų063 Ų630%030%0.304CS..Hα-helixtrans-63.2-39179.5-73.5175.3000112.1V54 L64 F71 I72 F101 T104 L105 V108V54-L68 HydrophobicContact CG1-CD2 3.8Å; L64-L68 HydrophobicContact CD1-CD1 4.02Å; L64-L68 HydrophobicContact CD1-CG 4.09Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.37Å; L64-L68 WeakPolarHBondContact O-CB 3.14Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.27Å; L68-F71 PolarHBondContact O-N 3.3Å; L68-I72 WeakPolarHBondContact O-CB 3.29Å; L68-I72 WeakPolarHBondContact O-CD1 3.43Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 3.5Å; L68-F101 HydrophobicContact CD1-CE2 4.24Å; L68-F101 HydrophobicContact CD2-CE2 4.05Å; L68-F101 HydrophobicContact CD2-CZ 4.01Å; L68-T104 HydrophobicContact CD1-CG2 4.15Å; L68-L105 HydrophobicContact CD1-CB 4.27Å; L68-L105 HydrophobicContact CD1-CD1 4Å; L68-L105 HydrophobicContact CD2-CD1 3.88Å; L68-L105 HydrophobicContact CG-CD1 4.43Å; L68-V108 HydrophobicContact CB-CG2 4.02Å
69K93.9Very high90.8Very high81 Ų8156.7 Ų56.735%0.35227%0.269SS..Hα-helixtrans-60.3-48.2175.1169.9174.3172.3173.70111.6Y65 A66 I67 H73 V108 Q112Y65-K69 HydrophobicContact CE1-CD 4.45Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3.38Å; A66-K69 PolarHBondContact O-N 3.25Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.98Å; K69-H73 VanDerWaalsContact O-CB 3.26Å; K69-H73 WeakPolarHBondContact O-CB 2.97Å; K69-H73 PolarHBondContact O-N 3.41Å; K69-V108 HydrophobicContact CB-CG1 4.31Å; K69-Q112 HydrophobicContact CD-CG 3.89Å; K69-Q112 VanDerWaalsContact CE-OE1 3.31Å; K69-Q112 HydrophobicContact CG-CG 4.06Å
70E92.6Very high91Very high63 Ų6355.3 Ų55.329%0.29426%0.262SS..Hα-helixtrans-63.7-44.6179.3-174.4174-179.900111I43 K45 A66 I67 H73 I74I43-E70 HydrophobicContact CD1-CB 4.07Å; I43-E70 HydrophobicContact CD1-CG 4.25Å; I43-E70 HydrophobicContact CG2-CG 4.06Å; I43-E70 WeakPolarHBondContact CG2-OE1 3.32Å; K45-E70 VanDerWaalsContact CE-OE2 3.27Å; K45-E70 WeakPolarHBondContact CE-OE2 3.28Å; A66-E70 PolarHBondContact O-N 3.24Å; I67-E70 PolarHBondContact O-N 3.38Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 3.15Å; E70-I74 HydrophobicContact CG-CD1 4.44Å; E70-I74 WeakPolarHBondContact O-CG1 3.44Å; E70-I74 PolarHBondContact O-N 3.2Å
71F93.3Very high91Very high4 Ų455.6 Ų55.62%0.01826%0.263CS..Hα-helixtrans-62.9-48.5178.2-173.9-114000113L20 T25 I39 I43 V54 I67 L68 H73 I74 L75L20-F71 HydrophobicContact CD2-CD1 4.37Å; L20-F71 HydrophobicContact CD2-CE1 3.78Å; T25-F71 HydrophobicContact CG2-CE1 3.91Å; T25-F71 HydrophobicContact CG2-CZ 3.94Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.44Å; I39-F71 HydrophobicContact CD1-CE2 3.85Å; I39-F71 HydrophobicContact CD1-CZ 3.75Å; I39-F71 HydrophobicContact CG1-CE2 4.5Å; I39-F71 HydrophobicContact CG1-CZ 4.23Å; I43-F71 HydrophobicContact CD1-CB 3.81Å; I43-F71 HydrophobicContact CG1-CB 4.23Å; I43-F71 HydrophobicContact CG1-CD2 4.17Å; V54-F71 HydrophobicContact CB-CG 4.36Å; V54-F71 HydrophobicContact CG1-CB 4Å; V54-F71 HydrophobicContact CG1-CD1 3.78Å; V54-F71 HydrophobicContact CG1-CD2 4.46Å; V54-F71 HydrophobicContact CG1-CE1 4.34Å; V54-F71 HydrophobicContact CG1-CG 3.83Å; V54-F71 HydrophobicContact CG2-CB 3.98Å; V54-F71 HydrophobicContact CG2-CD1 4.27Å; V54-F71 HydrophobicContact CG2-CD2 3.46Å; V54-F71 VanDerWaalsContact CG2-CD2 3.46Å; V54-F71 HydrophobicContact CG2-CE2 3.93Å; V54-F71 HydrophobicContact CG2-CG 3.64Å; V54-F71 HydrophobicContact CG2-CZ 4.49Å; I67-F71 WeakPolarHBondContact O-CB 3.31Å; I67-F71 PolarHBondContact O-N 3.08Å; L68-F71 PolarHBondContact O-N 3.3Å; F71-H73 VanDerWaalsContact C-N 3.27Å; F71-H73 PolarHBondContact O-N 2.81Å; F71-I74 PolarHBondContact O-N 3.18Å; F71-L75 HydrophobicContact CE1-CD1 4.28Å; F71-L75 WeakPolarHBondContact O-CB 3.29Å; F71-L75 PolarHBondContact O-N 3.01Å
72I93.4Very high91.1Very high3 Ų353.8 Ų53.82%0.01525%0.252CS..Hα-helixtrans-65-36178.9-67.5167.1000110.1L68 I74 L75 Y76 L105 V108 F109 F113L68-I72 WeakPolarHBondContact O-CB 3.29Å; L68-I72 WeakPolarHBondContact O-CD1 3.43Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 3.5Å; I72-I74 PolarHBondContact O-N 2.99Å; I72-L75 PolarHBondContact O-N 2.87Å; I72-Y76 HydrophobicContact CG2-CD2 3.54Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 WeakPolarHBondContact O-CD2 3.03Å; I72-Y76 PolarHBondContact O-N 3.48Å; I72-L105 HydrophobicContact CD1-CD1 3.97Å; I72-V108 HydrophobicContact CD1-CB 4.4Å; I72-V108 HydrophobicContact CD1-CG1 3.7Å; I72-F109 HydrophobicContact CD1-CD2 4.33Å; I72-F109 HydrophobicContact CD1-CE1 4.13Å; I72-F109 HydrophobicContact CD1-CE2 3.74Å; I72-F109 HydrophobicContact CD1-CZ 3.64Å; I72-F109 HydrophobicContact CG1-CZ 4.2Å; I72-F109 HydrophobicContact CG2-CE1 4.03Å; I72-F109 HydrophobicContact CG2-CZ 4.38Å; I72-F113 HydrophobicContact CB-CE2 3.7Å; I72-F113 HydrophobicContact CB-CZ 3.93Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.23Å; I72-F113 HydrophobicContact CG2-CE2 3.36Å; I72-F113 HydrophobicContact CG2-CG 4.42Å; I72-F113 HydrophobicContact CG2-CZ 3.59Å
73H93.1Very high91.1Very high95 Ų9550.5 Ų50.544%0.4424%0.239SC..Hα-helixtrans-59.5-47.5173.8-172.985.6000111.2K69 E70 F71 L75 Y76 F77 F113K69-H73 VanDerWaalsContact O-CB 3.26Å; K69-H73 WeakPolarHBondContact O-CB 2.97Å; K69-H73 PolarHBondContact O-N 3.41Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 3.15Å; F71-H73 VanDerWaalsContact C-N 3.27Å; F71-H73 PolarHBondContact O-N 2.81Å; H73-L75 VanDerWaalsContact C-N 3.33Å; H73-L75 PolarHBondContact O-N 3.19Å; H73-Y76 PolarHBondContact O-N 3.27Å; H73-F77 AromaticContact CE1-CD2 3.26Å; H73-F77 WeakPolarHBondContact CE1-CD2 3.38Å; H73-F77 AromaticContact CE1-CE2 3.37Å; H73-F77 WeakPolarHBondContact CE1-CE2 3.23Å; H73-F77 AromaticContact CE1-CG 3.99Å; H73-F77 AromaticContact CG-CD2 3.76Å; H73-F77 AromaticContact ND1-CD2 3.28Å; H73-F77 VanDerWaalsContact ND1-CD2 3.28Å; H73-F77 WeakPolarHBondContact ND1-CD2 3.39Å; H73-F77 AromaticContact ND1-CE2 3.3Å; H73-F77 VanDerWaalsContact ND1-CE2 3.3Å; H73-F77 WeakPolarHBondContact ND1-CE2 3.13Å; H73-F77 AromaticContact NE2-CD2 3.74Å; H73-F77 WeakPolarHBondContact O-CB 3.28Å; H73-F77 VanDerWaalsContact O-CD2 3.31Å; H73-F77 WeakPolarHBondContact O-CD2 3.3Å; H73-F77 PolarHBondContact O-N 2.99Å; H73-F113 HydrophobicContact CB-CZ 4.18Å
74I91.8Very high91.1Very high53 Ų5345.5 Ų45.527%0.27222%0.216SC..Hα-helixtrans-59.6-45174.8-65.5165.6000110.6I43 E70 F71 I72 Y76 R78I43-I74 HydrophobicContact CG2-CD1 4.47Å; E70-I74 HydrophobicContact CG-CD1 4.44Å; E70-I74 WeakPolarHBondContact O-CG1 3.44Å; E70-I74 PolarHBondContact O-N 3.2Å; F71-I74 PolarHBondContact O-N 3.18Å; I72-I74 PolarHBondContact O-N 2.99Å; I74-Y76 PolarHBondContact O-N 3.39Å; I74-R78 HydrophobicContact CG2-CB 4.18Å; I74-R78 WeakPolarHBondContact O-CA 3.17Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 3.08Å
75L92.3Very high91.1Very high1 Ų151.6 Ų51.61%0.00524%0.239CC..Iπ-helixtrans-58.5-47.8-179.3-167.6154.5000112I18 T25 C27 F71 I72 H73 H79 L80I18-L75 HydrophobicContact CD1-CD1 4.42Å; I18-L75 HydrophobicContact CD1-CD2 4.09Å; I18-L75 HydrophobicContact CG1-CD2 4.46Å; I18-L75 HydrophobicContact CG2-CD1 4.04Å; T25-L75 HydrophobicContact CG2-CD1 3.96Å; C27-L75 HydrophobicContact CB-CD1 4.09Å; C27-L75 HydrophobicContact CB-CD2 4.05Å; C27-L75 HydrophobicContact CB-CG 4.18Å; F71-L75 HydrophobicContact CE1-CD1 4.28Å; F71-L75 WeakPolarHBondContact O-CB 3.29Å; F71-L75 PolarHBondContact O-N 3.01Å; I72-L75 PolarHBondContact O-N 2.87Å; H73-L75 VanDerWaalsContact C-N 3.33Å; H73-L75 PolarHBondContact O-N 3.19Å; L75-H79 WeakPolarHBondContact O-CB 3.31Å; L75-H79 PolarHBondContact O-N 3.33Å; L75-L80 HydrophobicContact CD2-CD1 3.39Å; L75-L80 HydrophobicContact CD2-CG 3.9Å; L75-L80 PolarHBondContact O-N 3.41Å
76Y91.4Very high90.9Very high0 Ų052.5 Ų52.50%025%0.248CC..Iπ-helixtrans-73.9-47.9-179.7-85-90000113.4I16 I18 I72 H73 I74 L80 L81 V82 P84 V89 F109I16-Y76 HydrophobicContact CD1-CD1 4.24Å; I16-Y76 HydrophobicContact CD1-CE1 3.28Å; I18-Y76 HydrophobicContact CD1-CE2 4.39Å; I72-Y76 HydrophobicContact CG2-CD2 3.54Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 WeakPolarHBondContact O-CD2 3.03Å; I72-Y76 PolarHBondContact O-N 3.48Å; H73-Y76 PolarHBondContact O-N 3.27Å; I74-Y76 PolarHBondContact O-N 3.39Å; Y76-L80 HydrophobicContact CD1-CD1 4.38Å; Y76-L80 HydrophobicContact CE1-CD1 4.38Å; Y76-L81 WeakPolarHBondContact O-CA 3.28Å; Y76-L81 PolarHBondContact O-N 3.28Å; Y76-V82 HydrophobicContact CD1-CG2 4.17Å; Y76-V82 HydrophobicContact CE1-CG2 4.41Å; Y76-P84 HydrophobicContact CD1-CB 3.79Å; Y76-P84 HydrophobicContact CD1-CG 4.16Å; Y76-P84 HydrophobicContact CE1-CB 3.51Å; Y76-P84 HydrophobicContact CE1-CG 4.38Å; Y76-P84 HydrophobicContact CE2-CB 4.38Å; Y76-P84 HydrophobicContact CG-CB 4.3Å; Y76-P84 HydrophobicContact CG-CG 4.42Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.27Å; Y76-F109 HydrophobicContact CE2-CE1 4.1Å
77F90.6Very high90.7Very high114 Ų11450.7 Ų50.750%0.523%0.23SC..Iπ-helixtrans-87.2-26.1-169.7-71.1-81.3000113.9H73 L81H73-F77 AromaticContact CE1-CD2 3.26Å; H73-F77 WeakPolarHBondContact CE1-CD2 3.38Å; H73-F77 AromaticContact CE1-CE2 3.37Å; H73-F77 WeakPolarHBondContact CE1-CE2 3.23Å; H73-F77 AromaticContact CE1-CG 3.99Å; H73-F77 AromaticContact CG-CD2 3.76Å; H73-F77 AromaticContact ND1-CD2 3.28Å; H73-F77 VanDerWaalsContact ND1-CD2 3.28Å; H73-F77 WeakPolarHBondContact ND1-CD2 3.39Å; H73-F77 AromaticContact ND1-CE2 3.3Å; H73-F77 VanDerWaalsContact ND1-CE2 3.3Å; H73-F77 WeakPolarHBondContact ND1-CE2 3.13Å; H73-F77 AromaticContact NE2-CD2 3.74Å; H73-F77 WeakPolarHBondContact O-CB 3.28Å; H73-F77 VanDerWaalsContact O-CD2 3.31Å; H73-F77 WeakPolarHBondContact O-CD2 3.3Å; H73-F77 PolarHBondContact O-N 2.99Å; F77-L81 VanDerWaalsContact O-CD2 3.24Å; F77-L81 WeakPolarHBondContact O-CD2 3.47Å
78R89.3Confident90.6Very high192 Ų19253.7 Ų53.773%0.72524%0.241SC*.Iπ-helixtrans-96-38.4177.9-169.4177.8178160.4-1.9112.6I74I74-R78 HydrophobicContact CG2-CB 4.18Å; I74-R78 WeakPolarHBondContact O-CA 3.17Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 3.08Å
79H88.4Confident90.5Very high35 Ų3553.8 Ų53.816%0.16224%0.242CC..Iπ-helixtrans-102-61.9-172.8-62.1-77.9000112.4F37 I39 L75 L81F37-H79 HydrophobicContact CB-CB 4.42Å; F37-H79 AromaticContact CD1-ND1 3.78Å; F37-H79 HydrophobicContact CD2-CB 3.72Å; F37-H79 HydrophobicContact CE2-CB 4.09Å; F37-H79 WeakPolarHBondContact CE2-O 3.46Å; F37-H79 HydrophobicContact CG-CB 4Å; F37-H79 AromaticContact CG-ND1 3.84Å; I39-H79 VanDerWaalsContact CG2-CE1 3.48Å; I39-H79 WeakPolarHBondContact CG2-CE1 3.42Å; L75-H79 WeakPolarHBondContact O-CB 3.31Å; L75-H79 PolarHBondContact O-N 3.33Å; H79-L81 PolarHBondContact O-N 3.07Å
80L88.8Confident90.5Very high1 Ų149.9 Ų49.91%0.00523%0.225CC..Iπ-helixtrans-75.2-25.5-173.2-61.7178.5000113.7I16 C27 F29 L75 Y76 V82I16-L80 HydrophobicContact CD1-CD1 4.15Å; I16-L80 HydrophobicContact CG1-CD1 4.41Å; I16-L80 HydrophobicContact CG2-CD1 3.44Å; I16-L80 VanDerWaalsContact CG2-CD1 3.44Å; C27-L80 HydrophobicContact CB-CD2 4.36Å; F29-L80 HydrophobicContact CE2-CD2 4.19Å; F29-L80 HydrophobicContact CZ-CD2 4.42Å; L75-L80 HydrophobicContact CD2-CD1 3.39Å; L75-L80 HydrophobicContact CD2-CG 3.9Å; L75-L80 PolarHBondContact O-N 3.41Å; Y76-L80 HydrophobicContact CD1-CD1 4.38Å; Y76-L80 HydrophobicContact CE1-CD1 4.38Å; L80-V82 HydrophobicContact CB-CG2 3.81Å; L80-V82 WeakPolarHBondContact O-CG1 3.4Å; L80-V82 PolarHBondContact O-N 3.42Å
81L89.9Confident90.6Very high99 Ų9947 Ų4752%0.51821%0.211SC..  trans54.336.1179.3-57.5173.2000113.4F4 Y76 F77 H79F4-L81 HydrophobicContact CD2-CB 4.43Å; F4-L81 HydrophobicContact CE2-CB 3.9Å; F4-L81 HydrophobicContact CE2-CD1 3.86Å; F4-L81 HydrophobicContact CE2-CG 4.49Å; F4-L81 HydrophobicContact CZ-CD1 4.1Å; Y76-L81 WeakPolarHBondContact O-CA 3.28Å; Y76-L81 PolarHBondContact O-N 3.28Å; F77-L81 VanDerWaalsContact O-CD2 3.24Å; F77-L81 WeakPolarHBondContact O-CD2 3.47Å; H79-L81 PolarHBondContact O-N 3.07Å
82V88.9Confident90.5Very high19 Ų1946.8 Ų46.812%0.11521%0.21CC..SBendtrans-131.2154.1-179.1-66.40000111.5I16 F29 Y76 L80 P84I16-V82 HydrophobicContact CD1-CG2 3.75Å; F29-V82 HydrophobicContact CE1-CG1 4.08Å; F29-V82 HydrophobicContact CE1-CG2 4.31Å; F29-V82 HydrophobicContact CZ-CG1 3.86Å; F29-V82 HydrophobicContact CZ-CG2 4.3Å; Y76-V82 HydrophobicContact CD1-CG2 4.17Å; Y76-V82 HydrophobicContact CE1-CG2 4.41Å; L80-V82 HydrophobicContact CB-CG2 3.81Å; L80-V82 WeakPolarHBondContact O-CG1 3.4Å; L80-V82 PolarHBondContact O-N 3.42Å; V82-P84 WeakPolarHBondContact O-CD 3.24Å
83N90Very high90.4Very high77 Ų7747.4 Ų47.441%0.41221%0.213SC..  trans-76.2124.1174.4-171-8.3000110.4R85 D86N83-R85 VanDerWaalsContact C-N 3.26Å; N83-R85 PolarHBondContact O-N 2.98Å; N83-R85 PolarHBondContact OD1-N 3.19Å; N83-D86 PolarHBondContact O-N 2.93Å
84P88.6Confident90.1Very high4 Ų444.5 Ų44.53%0.02620%0.203CC..G310 helixtrans-62.3-27.6177.719.2-29.8000114.4Y76 V82 D86 F113 V115Y76-P84 HydrophobicContact CD1-CB 3.79Å; Y76-P84 HydrophobicContact CD1-CG 4.16Å; Y76-P84 HydrophobicContact CE1-CB 3.51Å; Y76-P84 HydrophobicContact CE1-CG 4.38Å; Y76-P84 HydrophobicContact CE2-CB 4.38Å; Y76-P84 HydrophobicContact CG-CB 4.3Å; Y76-P84 HydrophobicContact CG-CG 4.42Å; V82-P84 WeakPolarHBondContact O-CD 3.24Å; P84-D86 PolarHBondContact O-N 3.35Å; P84-F113 HydrophobicContact CB-CB 4.03Å; P84-F113 HydrophobicContact CB-CD1 4.35Å; P84-F113 HydrophobicContact CG-CB 4.11Å; P84-F113 HydrophobicContact CG-CD1 3.73Å; P84-F113 HydrophobicContact CG-CG 4.34Å; P84-V115 HydrophobicContact CB-CG1 4.09Å
85R89.2Confident89.7Confident129 Ų12943.2 Ų43.249%0.48720%0.197SC..G310 helixtrans-66.9-21.1-177.9-69.3-177.3174.1173.8-5.2114.1N83 F113 E114 P116N83-R85 VanDerWaalsContact C-N 3.26Å; N83-R85 PolarHBondContact O-N 2.98Å; N83-R85 PolarHBondContact OD1-N 3.19Å; R85-F113 VanDerWaalsContact CG-O 3.29Å; R85-F113 WeakPolarHBondContact CG-O 3.45Å; R85-E114 HydrophobicContact CG-CB 4.13Å; R85-E114 IonicContact CZ-OE1 3.62Å; R85-E114 IonicContact CZ-OE2 3.97Å; R85-E114 VanDerWaalsContact CZ-OE2 3.31Å; R85-E114 IonicContact NE-OE1 2.67Å; R85-E114 IonicContact NE-OE2 3.54Å; R85-E114 PolarHBondContact NE-OE2 3.04Å; R85-E114 IonicContact NH2-OE1 2.69Å; R85-E114 PolarHBondContact NH2-OE1 3.38Å; R85-E114 IonicContact NH2-OE2 3.89Å; R85-E114 PolarHBondContact NH2-OE2 2.92Å; R85-P116 VanDerWaalsContact O-CG 3.29Å; R85-P116 WeakPolarHBondContact O-CG 3.33Å
86D87.8Confident89.4Confident78 Ų7845.8 Ų45.842%0.41721%0.21SC..G310 helixtrans-92.3-13.9-170.1-74.8-5.9000113.6K13 N83 P84K13-D86 HydrophobicContact CD-CB 3.76Å; K13-D86 IonicContact NZ-OD1 3.29Å; K13-D86 IonicContact NZ-OD2 2.76Å; K13-D86 PolarHBondContact NZ-OD2 2.75Å; N83-D86 PolarHBondContact O-N 2.93Å; P84-D86 PolarHBondContact O-N 3.35Å
87R87.1Confident89.1Confident14 Ų1446.5 Ų46.55%0.05322%0.215CC..SBendtrans-134.9142.7-166.4-68.2176.3-173.5-90.1-1.3111.1D5 K13 T14 I16 P116D5-R87 IonicContact OD1-CZ 2.7Å; D5-R87 IonicContact OD1-NH2 3.31Å; D5-R87 PolarHBondContact OD1-NH2 2.84Å; K13-R87 HydrophobicContact CB-CG 3.78Å; K13-R87 HydrophobicContact CD-CG 4.31Å; T14-R87 WeakPolarHBondContact O-CD 3.45Å; T14-R87 PolarHBondContact O-NH1 2.72Å; T14-R87 PolarHBondContact OG1-NH1 3.11Å; I16-R87 HydrophobicContact CD1-CB 4.02Å; I16-R87 HydrophobicContact CG1-CB 4.25Å; R87-P116 VanDerWaalsContact O-CD 3.28Å; R87-P116 WeakPolarHBondContact O-CD 3.34Å
88R89.4Confident88.9Confident65 Ų6543.4 Ų43.425%0.24521%0.206CC..  trans-73.2154.4173.1-56179.1-169.7167.713.9110.1E12 A15 I16 S117E12-R88 IonicContact OE1-NH2 2.78Å; E12-R88 PolarHBondContact OE1-NH2 2.76Å; E12-R88 IonicContact OE2-NH2 3.66Å; A15-R88 WeakPolarHBondContact CA-O 3.38Å; A15-R88 HydrophobicContact CB-CB 4.37Å; I16-R88 PolarHBondContact N-O 3.42Å; R88-S117 WeakPolarHBondContact CD-OG 3.45Å; R88-S117 VanDerWaalsContact CG-OG 3.28Å; R88-S117 WeakPolarHBondContact CG-OG 3.38Å
89V91.9Very high88.7Confident2 Ų236.5 Ų36.51%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-121.4129.7-177.4-171.50000110.6I16 I18 Y76 I91 F109 V115 S117 V118 L119I16-V89 CarbonylContact O-C 3.54Å; I16-V89 WeakPolarHBondContact O-CA 3.34Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.28Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.27Å; V89-I91 HydrophobicContact CG1-CD1 4.48Å; V89-I91 HydrophobicContact CG1-CG1 3.87Å; V89-F109 HydrophobicContact CG1-CE1 4.2Å; V89-F109 HydrophobicContact CG1-CZ 4.3Å; V89-F109 HydrophobicContact CG2-CE1 4.42Å; V89-V115 HydrophobicContact CG2-CB 4.31Å; V89-V115 HydrophobicContact CG2-CG1 4.02Å; V89-S117 PolarHBondContact N-O 3.29Å; V89-V118 WeakPolarHBondContact O-CA 3.47Å; V89-L119 PolarHBondContact O-N 3.07Å
90V93.1Very high88.6Confident0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-105.9118.5169.6-175.20000107.8I16 V17 I18 L119 A121 L369I16-V90 PolarHBondContact O-N 3.48Å; V17-V90 WeakPolarHBondContact CA-O 3.28Å; V17-V90 HydrophobicContact CG2-CB 4.43Å; I18-V90 PolarHBondContact N-O 3.19Å; V90-L119 HydrophobicContact CG1-CD2 4.05Å; V90-L119 HydrophobicContact CG2-CD2 4.25Å; V90-A121 HydrophobicContact CG1-CB 4.32Å; V90-L369 HydrophobicContact CG2-CD2 3.66Å
91I93.7Very high88.6Confident1 Ų138.4 Ų38.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-107.2119.4179.2-55.2174.7000107.1I18 L20 V89 L105 F109 V118 L119 F120 A121I18-I91 CarbonylContact O-C 3.6Å; I18-I91 WeakPolarHBondContact O-CA 3.27Å; L20-I91 HydrophobicContact CD1-CG2 4.35Å; V89-I91 HydrophobicContact CG1-CD1 4.48Å; V89-I91 HydrophobicContact CG1-CG1 3.87Å; I91-L105 HydrophobicContact CD1-CD2 3.75Å; I91-L105 HydrophobicContact CD1-CG 4.35Å; I91-L105 HydrophobicContact CG2-CD2 3.93Å; I91-F109 HydrophobicContact CD1-CD2 3.67Å; I91-F109 HydrophobicContact CD1-CE2 3.33Å; I91-F109 HydrophobicContact CD1-CZ 4.09Å; I91-F109 HydrophobicContact CG1-CE2 4.28Å; I91-V118 HydrophobicContact CD1-CG1 3.53Å; I91-V118 HydrophobicContact CG1-CG1 4.19Å; I91-L119 PolarHBondContact N-O 3.22Å; I91-F120 HydrophobicContact CB-CD1 4.11Å; I91-F120 HydrophobicContact CB-CE1 4.13Å; I91-F120 HydrophobicContact CD1-CE1 3.87Å; I91-F120 HydrophobicContact CD1-CZ 3.91Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.04Å; I91-F120 WeakPolarHBondContact O-CA 3.33Å; I91-A121 PolarHBondContact O-N 3.21Å
92I92.9Very high88.6Confident0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-89120.8173.1-60.1154.4000107V17 I18 D19 A121 A355 W356V17-I92 HydrophobicContact CG1-CD1 3.63Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; I18-I92 PolarHBondContact O-N 3.23Å; D19-I92 HydrophobicContact CB-CB 4.14Å; D19-I92 HydrophobicContact CB-CD1 4.01Å; I92-A121 WeakPolarHBondContact CA-O 3.06Å; I92-A355 WeakPolarHBondContact CD1-O 3.41Å; I92-A355 HydrophobicContact CG2-CB 4.29Å; I92-W356 VanDerWaalsContact CD1-CA 3.46Å; I92-W356 HydrophobicContact CD1-CB 4.38Å
93E89.4Confident88.6Confident16 Ų1635.9 Ų35.98%0.07518%0.18CC..EExtended strand (participates in β ladder)trans-123.2155.3177.466177.3177.800110.9R102 F120 A121 P122 S123E93-R102 IonicContact OE1-NH1 3.31Å; E93-F120 HydrophobicContact CG-CB 4.49Å; E93-F120 HydrophobicContact CG-CD1 4.25Å; E93-F120 WeakPolarHBondContact OE1-CB 3.44Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.36Å; E93-A121 PolarHBondContact N-O 2.85Å; E93-P122 WeakPolarHBondContact O-CA 3.24Å; E93-S123 PolarHBondContact O-N 2.73Å
94S87.6Confident88.6Confident34 Ų3432.4 Ų32.424%0.23816%0.162CC..  trans-73.2147.4163.7-175.60000109.4L96 C97 L147S94-L96 PolarHBondContact O-N 3.22Å; S94-C97 WeakPolarHBondContact O-CB 3.2Å; S94-C97 PolarHBondContact O-N 3.15Å; S94-C97 VanDerWaalsContact O-N 3.1Å; S94-L147 WeakPolarHBondContact OG-CD2 3.39Å
95I84.5Confident88.8Confident27 Ų2732.3 Ų32.314%0.13816%0.161CC..THydrogen-bonded Turntrans-63.5-30.8-177.6-67.5163.2000111.7C97 P122 L149 L158I95-C97 PolarHBondContact O-N 3.23Å; I95-P122 HydrophobicContact CD1-CB 4.04Å; I95-P122 HydrophobicContact CG1-CB 3.58Å; I95-L149 HydrophobicContact CD1-CD1 4.1Å; I95-L149 HydrophobicContact CD1-CD2 3.12Å; I95-L149 HydrophobicContact CD1-CG 4.14Å; I95-L158 HydrophobicContact CG2-CD2 3.8Å
96L84.6Confident88.9Confident54 Ų5426.2 Ų26.228%0.28314%0.138SC..THydrogen-bonded Turntrans-85.97.8-179.5-55179.5000113S94 P98 L147 W161 A163S94-L96 PolarHBondContact O-N 3.22Å; L96-P98 WeakPolarHBondContact O-CD 3.24Å; L96-L147 HydrophobicContact CD1-CD1 3.75Å; L96-L147 HydrophobicContact CD1-CD2 3.95Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.41Å; L96-L147 HydrophobicContact CG-CD2 4.03Å; L96-W161 HydrophobicContact CD1-CD2 4.49Å; L96-W161 HydrophobicContact CD1-CE3 3.55Å; L96-W161 HydrophobicContact CD1-CH2 4.04Å; L96-W161 HydrophobicContact CD1-CZ3 3.28Å; L96-W161 HydrophobicContact CD2-CD2 3.93Å; L96-W161 HydrophobicContact CD2-CE3 3.8Å; L96-W161 HydrophobicContact CD2-CH2 3.96Å; L96-W161 HydrophobicContact CD2-CZ2 4.11Å; L96-W161 HydrophobicContact CD2-CZ3 3.82Å; L96-W161 HydrophobicContact CG-CE3 4.24Å; L96-W161 HydrophobicContact CG-CZ3 4.19Å; L96-A163 HydrophobicContact CD1-CB 4.1Å
97C84.9Confident89Confident16 Ų1625.3 Ų25.311%0.10813%0.131CC..  trans-61.9128.2178.4-1750000110.2S94 I95 S99 F101S94-C97 WeakPolarHBondContact O-CB 3.2Å; S94-C97 PolarHBondContact O-N 3.15Å; S94-C97 VanDerWaalsContact O-N 3.1Å; I95-C97 PolarHBondContact O-N 3.23Å; C97-S99 PolarHBondContact O-N 3.29Å; C97-F101 VanDerWaalsContact SG-CD1 3.53Å
98P86.9Confident89.3Confident48 Ų4824.7 Ų24.731%0.31213%0.128SC..  trans-57.1135.5-179.5-27.936000112.7Y57 L96 H100 F101 R102Y57-P98 HydrophobicContact CD1-CG 3.63Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 3.93Å; L96-P98 WeakPolarHBondContact O-CD 3.24Å; P98-H100 PolarHBondContact O-N 2.88Å; P98-H100 VanDerWaalsContact O-N 3.1Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 2.91Å; P98-R102 PolarHBondContact O-N 3.42Å
99S85.4Confident89.5Confident47 Ų4721.6 Ų21.633%0.32912%0.117SC..Hα-helixtrans-57-32179.5-40.70000112.1C97 F101 R102 E103 D387C97-S99 PolarHBondContact O-N 3.29Å; S99-F101 PolarHBondContact O-N 3.44Å; S99-R102 PolarHBondContact O-N 2.97Å; S99-E103 WeakPolarHBondContact O-CB 3.26Å; S99-E103 WeakPolarHBondContact O-CG 3.33Å; S99-E103 PolarHBondContact O-N 2.87Å; S99-D387 WeakPolarHBondContact CB-OD2 3.45Å; S99-D387 PolarHBondContact OG-OD2 2.66Å
100H87Confident89.6Confident69 Ų6921.8 Ų21.832%0.31912%0.117SC..Hα-helixtrans-57.9-45.2174.1179.889.9000113.4T61 P98 T104T61-H100 WeakPolarHBondContact CG2-CE1 3.08Å; P98-H100 PolarHBondContact O-N 2.88Å; P98-H100 VanDerWaalsContact O-N 3.1Å; H100-T104 WeakPolarHBondContact O-CB 3.25Å; H100-T104 PolarHBondContact O-N 3.4Å; H100-T104 VanDerWaalsContact O-N 3.09Å; H100-T104 PolarHBondContact O-OG1 3.44Å
101F88.8Confident89.5Confident8 Ų830.1 Ų30.14%0.03515%0.149CC..Hα-helixtrans-65.8-45.9178.7-179.1-93.4000110L20 V55 Y57 L64 L68 C97 P98 S99 E103 T104 L105L20-F101 HydrophobicContact CD1-CE1 4.41Å; L20-F101 HydrophobicContact CD1-CZ 4.5Å; V55-F101 HydrophobicContact CG1-CE2 4.31Å; V55-F101 HydrophobicContact CG1-CZ 4.33Å; V55-F101 HydrophobicContact CG2-CZ 4.3Å; Y57-F101 HydrophobicContact CD1-CB 4.44Å; L64-F101 HydrophobicContact CD1-CD2 4.07Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.05Å; L68-F101 HydrophobicContact CD1-CE2 4.24Å; L68-F101 HydrophobicContact CD2-CE2 4.05Å; L68-F101 HydrophobicContact CD2-CZ 4.01Å; C97-F101 VanDerWaalsContact SG-CD1 3.53Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 2.91Å; S99-F101 PolarHBondContact O-N 3.44Å; F101-E103 PolarHBondContact O-N 3.38Å; F101-T104 PolarHBondContact O-N 2.85Å; F101-L105 HydrophobicContact CE1-CD2 4.37Å; F101-L105 WeakPolarHBondContact O-CB 3.48Å; F101-L105 PolarHBondContact O-N 3.22Å
102R88.8Confident89.4Confident9 Ų933.6 Ų33.63%0.03417%0.165CC..Hα-helixtrans-61.4-43.9178.4-168.5-177.356.1-132.8-29.7112.8E93 P98 S99 T104 L105 T106 F120 D387E93-R102 IonicContact OE1-NH1 3.31Å; P98-R102 PolarHBondContact O-N 3.42Å; S99-R102 PolarHBondContact O-N 2.97Å; R102-T104 VanDerWaalsContact C-N 3.34Å; R102-T104 PolarHBondContact O-N 3.08Å; R102-L105 PolarHBondContact O-N 3.07Å; R102-T106 WeakPolarHBondContact O-CB 3.03Å; R102-T106 PolarHBondContact O-N 3.34Å; R102-T106 PolarHBondContact O-OG1 3.2Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.35Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 4.05Å; R102-F120 HydrophobicContact CG-CG 4.24Å; R102-F120 HydrophobicContact CG-CZ 3.59Å; R102-D387 IonicContact CZ-OD1 3.81Å; R102-D387 IonicContact CZ-OD2 3.82Å; R102-D387 IonicContact NH1-OD1 2.68Å; R102-D387 PolarHBondContact NH1-OD1 3.45Å; R102-D387 IonicContact NH1-OD2 3.11Å; R102-D387 IonicContact NH2-OD1 3.74Å; R102-D387 PolarHBondContact NH2-OD1 3.21Å; R102-D387 IonicContact NH2-OD2 4Å; R102-D387 PolarHBondContact NH2-OD2 3.31Å
103E88.6Confident89.3Confident56 Ų5634.1 Ų34.126%0.26217%0.167SC..Hα-helixtrans-61.8-41.8175.6-77.1-173.9-179.200112S99 F101 T106 K107 R384S99-E103 WeakPolarHBondContact O-CB 3.26Å; S99-E103 WeakPolarHBondContact O-CG 3.33Å; S99-E103 PolarHBondContact O-N 2.87Å; F101-E103 PolarHBondContact O-N 3.38Å; E103-T106 WeakPolarHBondContact O-CB 3.06Å; E103-T106 PolarHBondContact O-N 3.1Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.31Å; E103-K107 PolarHBondContact O-N 3.15Å; E103-R384 IonicContact OE1-CZ 3.25Å; E103-R384 IonicContact OE1-NE 2.73Å
104T90.8Very high89.5Confident3 Ų336.7 Ų36.72%0.01818%0.179CC..Hα-helixtrans-68.4-43.4179.6-54.60000111.1L64 Y65 L68 H100 F101 R102 T106 K107 V108L64-T104 HydrophobicContact CB-CG2 4.18Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.88Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; L68-T104 HydrophobicContact CD1-CG2 4.15Å; H100-T104 WeakPolarHBondContact O-CB 3.25Å; H100-T104 PolarHBondContact O-N 3.4Å; H100-T104 VanDerWaalsContact O-N 3.09Å; H100-T104 PolarHBondContact O-OG1 3.44Å; F101-T104 PolarHBondContact O-N 2.85Å; R102-T104 VanDerWaalsContact C-N 3.34Å; R102-T104 PolarHBondContact O-N 3.08Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 2.94Å; T104-K107 WeakPolarHBondContact O-CB 3.49Å; T104-K107 PolarHBondContact O-N 3.48Å; T104-V108 WeakPolarHBondContact O-CG2 3.49Å; T104-V108 PolarHBondContact O-N 3.31Å
105L91.7Very high89.7Confident2 Ų235.1 Ų35.11%0.0117%0.168CC..Hα-helixtrans-58.4-44.5174.7-168.972.5000111.5L20 L68 I72 I91 F101 R102 K107 V108 F109 F120L20-L105 HydrophobicContact CD1-CD1 3.76Å; L20-L105 HydrophobicContact CD1-CD2 3.63Å; L20-L105 HydrophobicContact CD1-CG 4.37Å; L68-L105 HydrophobicContact CD1-CB 4.27Å; L68-L105 HydrophobicContact CD1-CD1 4Å; L68-L105 HydrophobicContact CD2-CD1 3.88Å; L68-L105 HydrophobicContact CG-CD1 4.43Å; I72-L105 HydrophobicContact CD1-CD1 3.97Å; I91-L105 HydrophobicContact CD1-CD2 3.75Å; I91-L105 HydrophobicContact CD1-CG 4.35Å; I91-L105 HydrophobicContact CG2-CD2 3.93Å; F101-L105 HydrophobicContact CE1-CD2 4.37Å; F101-L105 WeakPolarHBondContact O-CB 3.48Å; F101-L105 PolarHBondContact O-N 3.22Å; R102-L105 PolarHBondContact O-N 3.07Å; L105-K107 PolarHBondContact O-N 3.42Å; L105-V108 WeakPolarHBondContact O-CB 3.48Å; L105-V108 PolarHBondContact O-N 3.47Å; L105-F109 HydrophobicContact CD1-CD2 4.37Å; L105-F109 HydrophobicContact CD1-CE2 3.81Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.69Å; L105-F109 VanDerWaalsContact O-CD2 3.25Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.9Å; L105-F120 HydrophobicContact CD2-CE1 3.94Å; L105-F120 HydrophobicContact CD2-CZ 4.37Å
106T91.3Very high89.9Confident1 Ų136.3 Ų36.31%0.00618%0.178CC..Hα-helixtrans-59.9-46.1176-600000112.2R102 E103 T104 V108 F109 F110 F120 Y379 I385R102-T106 WeakPolarHBondContact O-CB 3.03Å; R102-T106 PolarHBondContact O-N 3.34Å; R102-T106 PolarHBondContact O-OG1 3.2Å; E103-T106 WeakPolarHBondContact O-CB 3.06Å; E103-T106 PolarHBondContact O-N 3.1Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 2.94Å; T106-V108 VanDerWaalsContact C-N 3.27Å; T106-V108 PolarHBondContact O-N 3.48Å; T106-F109 PolarHBondContact O-N 3.39Å; T106-F110 HydrophobicContact CG2-CD2 3.53Å; T106-F110 HydrophobicContact CG2-CE2 3.68Å; T106-F110 PolarHBondContact O-N 3.42Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.36Å; T106-Y379 HydrophobicContact CG2-CD2 3.78Å; T106-Y379 HydrophobicContact CG2-CE2 3.49Å; T106-Y379 VanDerWaalsContact CG2-CE2 3.49Å; T106-Y379 HydrophobicContact CG2-CG 4.42Å; T106-I385 HydrophobicContact CG2-CD1 3.27Å; T106-I385 HydrophobicContact CG2-CG1 3.79Å; T106-I385 WeakPolarHBondContact OG1-CD1 3.46Å
107K91.4Very high90.2Very high60 Ų6034 Ų3426%0.26117%0.166SC..Hα-helixtrans-57.5-42.6176.2-74.4168.4-173.1168.40110.9Y65 E103 T104 L105 R111 Y379Y65-K107 HydrophobicContact CD2-CB 4.33Å; Y65-K107 HydrophobicContact CE2-CB 4.07Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.31Å; E103-K107 PolarHBondContact O-N 3.15Å; T104-K107 WeakPolarHBondContact O-CB 3.49Å; T104-K107 PolarHBondContact O-N 3.48Å; L105-K107 PolarHBondContact O-N 3.42Å; K107-R111 WeakPolarHBondContact O-CB 3.48Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 3.34Å; K107-Y379 WeakPolarHBondContact CG-OH 3.39Å
108V93.5Very high90.4Very high0 Ų033.2 Ų33.20%016%0.161CC..Iπ-helixtrans-62.4-49.6177.9175.50000110.6Y65 L68 K69 I72 T104 L105 T106 F110 Q112 F113Y65-V108 HydrophobicContact CD2-CG2 3.35Å; Y65-V108 HydrophobicContact CE2-CB 4.23Å; Y65-V108 HydrophobicContact CE2-CG2 3.45Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.45Å; Y65-V108 HydrophobicContact CG-CG2 4.01Å; L68-V108 HydrophobicContact CB-CG2 4.02Å; K69-V108 HydrophobicContact CB-CG1 4.31Å; I72-V108 HydrophobicContact CD1-CB 4.4Å; I72-V108 HydrophobicContact CD1-CG1 3.7Å; T104-V108 WeakPolarHBondContact O-CG2 3.49Å; T104-V108 PolarHBondContact O-N 3.31Å; L105-V108 WeakPolarHBondContact O-CB 3.48Å; L105-V108 PolarHBondContact O-N 3.47Å; T106-V108 VanDerWaalsContact C-N 3.27Å; T106-V108 PolarHBondContact O-N 3.48Å; V108-F110 PolarHBondContact O-N 3.42Å; V108-Q112 VanDerWaalsContact O-CB 3.27Å; V108-Q112 WeakPolarHBondContact O-CB 3.44Å; V108-Q112 PolarHBondContact O-N 3.38Å; V108-F113 HydrophobicContact CG1-CD2 3.81Å; V108-F113 HydrophobicContact CG1-CE2 3.57Å; V108-F113 PolarHBondContact O-N 3.35Å
109F93.4Very high90.6Very high1 Ų131.5 Ų31.50%0.00415%0.149CC..Iπ-helixtrans-62.1-45.6-178.9-83-64.9000113.5I18 I72 Y76 V89 I91 L105 T106 F113 E114 V115 V118I18-F109 HydrophobicContact CD1-CE1 4.29Å; I18-F109 HydrophobicContact CD1-CZ 3.89Å; I72-F109 HydrophobicContact CD1-CD2 4.33Å; I72-F109 HydrophobicContact CD1-CE1 4.13Å; I72-F109 HydrophobicContact CD1-CE2 3.74Å; I72-F109 HydrophobicContact CD1-CZ 3.64Å; I72-F109 HydrophobicContact CG1-CZ 4.2Å; I72-F109 HydrophobicContact CG2-CE1 4.03Å; I72-F109 HydrophobicContact CG2-CZ 4.38Å; Y76-F109 HydrophobicContact CE2-CE1 4.1Å; V89-F109 HydrophobicContact CG1-CE1 4.2Å; V89-F109 HydrophobicContact CG1-CZ 4.3Å; V89-F109 HydrophobicContact CG2-CE1 4.42Å; I91-F109 HydrophobicContact CD1-CD2 3.67Å; I91-F109 HydrophobicContact CD1-CE2 3.33Å; I91-F109 HydrophobicContact CD1-CZ 4.09Å; I91-F109 HydrophobicContact CG1-CE2 4.28Å; L105-F109 HydrophobicContact CD1-CD2 4.37Å; L105-F109 HydrophobicContact CD1-CE2 3.81Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.69Å; L105-F109 VanDerWaalsContact O-CD2 3.25Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.9Å; T106-F109 PolarHBondContact O-N 3.39Å; F109-F113 CarbonylContact O-C 3.59Å; F109-E114 PolarHBondContact O-N 2.82Å; F109-V115 HydrophobicContact CB-CG2 3.84Å; F109-V115 HydrophobicContact CD1-CG1 3.95Å; F109-V115 HydrophobicContact CD1-CG2 4.44Å; F109-V115 PolarHBondContact O-N 3.23Å; F109-V118 HydrophobicContact CB-CG2 3.99Å; F109-V118 HydrophobicContact CG-CG2 4.43Å
110F93.2Very high90.8Very high6 Ų630.4 Ų30.43%0.02614%0.138CC..Iπ-helixtrans-82-41.4-178-70.9-50.5000114.2T106 V108 E114 V115 V118 R376 Y379 I385T106-F110 HydrophobicContact CG2-CD2 3.53Å; T106-F110 HydrophobicContact CG2-CE2 3.68Å; T106-F110 PolarHBondContact O-N 3.42Å; V108-F110 PolarHBondContact O-N 3.42Å; F110-E114 WeakPolarHBondContact O-CA 3.44Å; F110-E114 PolarHBondContact O-N 3.38Å; F110-V115 HydrophobicContact CD1-CG2 3.93Å; F110-V115 HydrophobicContact CE1-CG2 4Å; F110-V118 HydrophobicContact CE1-CG2 3.95Å; F110-V118 HydrophobicContact CE2-CG2 4.24Å; F110-V118 HydrophobicContact CZ-CB 4.05Å; F110-V118 HydrophobicContact CZ-CG2 3.75Å; F110-R376 HydrophobicContact CD1-CB 3.7Å; F110-R376 HydrophobicContact CD1-CG 3.76Å; F110-R376 VanDerWaalsContact CE1-CA 3.49Å; F110-R376 HydrophobicContact CE1-CB 3.77Å; F110-R376 HydrophobicContact CE1-CG 4.35Å; F110-R376 HydrophobicContact CG-CG 4.37Å; F110-Y379 HydrophobicContact CB-CD1 3.92Å; F110-Y379 HydrophobicContact CB-CE1 4.23Å; F110-Y379 AromaticContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD1 3.41Å; F110-Y379 VanDerWaalsContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD2 4Å; F110-Y379 HydrophobicContact CD2-CE1 4.01Å; F110-Y379 AromaticContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CD2-CG 3.4Å; F110-Y379 VanDerWaalsContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CE2-CD1 4.18Å; F110-Y379 HydrophobicContact CE2-CD2 4.11Å; F110-Y379 AromaticContact CE2-CG 3.68Å; F110-Y379 HydrophobicContact CE2-CG 3.68Å; F110-Y379 AromaticContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CG 4.28Å; F110-I385 HydrophobicContact CE2-CD1 4.21Å
111R90.9Very high90.9Very high174 Ų17427.2 Ų27.266%0.65712%0.124SC*.Iπ-helixtrans-83-39.6-175.3-61.7-173.2173.5-173.1-2.7113.3K107K107-R111 WeakPolarHBondContact O-CB 3.48Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 3.34Å
112Q92Very high91Very high75 Ų7527.2 Ų27.235%0.3512%0.124SC..Iπ-helixtrans-92.1-43.1-175.3-177.464.151.400112.3K69 V108K69-Q112 HydrophobicContact CD-CG 3.89Å; K69-Q112 VanDerWaalsContact CE-OE1 3.31Å; K69-Q112 HydrophobicContact CG-CG 4.06Å; V108-Q112 VanDerWaalsContact O-CB 3.27Å; V108-Q112 WeakPolarHBondContact O-CB 3.44Å; V108-Q112 PolarHBondContact O-N 3.38Å
113F90.9Very high91.2Very high11 Ų1127.1 Ų27.15%0.04813%0.125CC..SBendtrans-102.4-10.5-173.8-65.7-74.6000113.6I72 H73 P84 R85 V108 F109 V115I72-F113 HydrophobicContact CB-CE2 3.7Å; I72-F113 HydrophobicContact CB-CZ 3.93Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.23Å; I72-F113 HydrophobicContact CG2-CE2 3.36Å; I72-F113 HydrophobicContact CG2-CG 4.42Å; I72-F113 HydrophobicContact CG2-CZ 3.59Å; H73-F113 HydrophobicContact CB-CZ 4.18Å; P84-F113 HydrophobicContact CB-CB 4.03Å; P84-F113 HydrophobicContact CB-CD1 4.35Å; P84-F113 HydrophobicContact CG-CB 4.11Å; P84-F113 HydrophobicContact CG-CD1 3.73Å; P84-F113 HydrophobicContact CG-CG 4.34Å; R85-F113 VanDerWaalsContact CG-O 3.29Å; R85-F113 WeakPolarHBondContact CG-O 3.45Å; V108-F113 HydrophobicContact CG1-CD2 3.81Å; V108-F113 HydrophobicContact CG1-CE2 3.57Å; V108-F113 PolarHBondContact O-N 3.35Å; F109-F113 CarbonylContact O-C 3.59Å; F113-V115 VanDerWaalsContact C-N 3.25Å; F113-V115 HydrophobicContact CB-CG1 4.15Å; F113-V115 PolarHBondContact O-N 3Å
114E92.5Very high91.4Very high70 Ų7024.4 Ų24.433%0.32711%0.113SC..  trans50.842.8177-67.3170.1-138.700113.3R85 F109 F110 R376R85-E114 HydrophobicContact CG-CB 4.13Å; R85-E114 IonicContact CZ-OE1 3.62Å; R85-E114 IonicContact CZ-OE2 3.97Å; R85-E114 VanDerWaalsContact CZ-OE2 3.31Å; R85-E114 IonicContact NE-OE1 2.67Å; R85-E114 IonicContact NE-OE2 3.54Å; R85-E114 PolarHBondContact NE-OE2 3.04Å; R85-E114 IonicContact NH2-OE1 2.69Å; R85-E114 PolarHBondContact NH2-OE1 3.38Å; R85-E114 IonicContact NH2-OE2 3.89Å; R85-E114 PolarHBondContact NH2-OE2 2.92Å; F109-E114 PolarHBondContact O-N 2.82Å; F110-E114 WeakPolarHBondContact O-CA 3.44Å; F110-E114 PolarHBondContact O-N 3.38Å; E114-R376 IonicContact OE2-NH1 3.38Å
115V92.1Very high91.4Very high0 Ų025.3 Ų25.30%012%0.117CC..  trans-65.5148.2179.3-57.30000111.6P84 V89 F109 F110 F113 V118P84-V115 HydrophobicContact CB-CG1 4.09Å; V89-V115 HydrophobicContact CG2-CB 4.31Å; V89-V115 HydrophobicContact CG2-CG1 4.02Å; F109-V115 HydrophobicContact CB-CG2 3.84Å; F109-V115 HydrophobicContact CD1-CG1 3.95Å; F109-V115 HydrophobicContact CD1-CG2 4.44Å; F109-V115 PolarHBondContact O-N 3.23Å; F110-V115 HydrophobicContact CD1-CG2 3.93Å; F110-V115 HydrophobicContact CE1-CG2 4Å; F113-V115 VanDerWaalsContact C-N 3.25Å; F113-V115 HydrophobicContact CB-CG1 4.15Å; F113-V115 PolarHBondContact O-N 3Å; V115-V118 HydrophobicContact CG2-CG2 3.51Å
116P90Very high91.4Very high52 Ų5225.2 Ų25.234%0.33812%0.117SC..SBendtrans-64.6-47.7-178.4-22.633.4000113.7R85 R87 R376R85-P116 VanDerWaalsContact O-CG 3.29Å; R85-P116 WeakPolarHBondContact O-CG 3.33Å; R87-P116 VanDerWaalsContact O-CD 3.28Å; R87-P116 WeakPolarHBondContact O-CD 3.34Å; P116-R376 PolarHBondContact O-N 2.81Å; P116-R376 VanDerWaalsContact O-N 3.08Å
117S89.2Confident91.4Very high5 Ų525.2 Ų25.24%0.03512%0.116CC..EExtended strand (participates in β ladder)trans-151.5153.6177.871.50000112R88 V89 S373 V374R88-S117 WeakPolarHBondContact CD-OG 3.45Å; R88-S117 VanDerWaalsContact CG-OG 3.28Å; R88-S117 WeakPolarHBondContact CG-OG 3.38Å; V89-S117 PolarHBondContact N-O 3.29Å; S117-S373 WeakPolarHBondContact CB-OG 3.23Å; S117-S373 PolarHBondContact OG-OG 2.76Å; S117-S373 VanDerWaalsContact OG-OG 3.1Å; S117-V374 CarbonylContact C-O 3.44Å; S117-V374 VanDerWaalsContact CA-O 3.23Å; S117-V374 WeakPolarHBondContact CA-O 3.15Å; S117-V374 WeakPolarHBondContact CB-O 3.44Å
118V90.8Very high91.5Very high0 Ų022.3 Ų22.30%010%0.104CC..EExtended strand (participates in β ladder)trans-125.7134.4177.8-179.40000108.8V89 I91 F109 F110 V115 F120 V374V89-V118 WeakPolarHBondContact O-CA 3.47Å; I91-V118 HydrophobicContact CD1-CG1 3.53Å; I91-V118 HydrophobicContact CG1-CG1 4.19Å; F109-V118 HydrophobicContact CB-CG2 3.99Å; F109-V118 HydrophobicContact CG-CG2 4.43Å; F110-V118 HydrophobicContact CE1-CG2 3.95Å; F110-V118 HydrophobicContact CE2-CG2 4.24Å; F110-V118 HydrophobicContact CZ-CB 4.05Å; F110-V118 HydrophobicContact CZ-CG2 3.75Å; V115-V118 HydrophobicContact CG2-CG2 3.51Å; V118-F120 HydrophobicContact CG1-CD2 4.06Å; V118-F120 HydrophobicContact CG1-CE2 3.49Å; V118-F120 VanDerWaalsContact CG1-CE2 3.49Å; V118-F120 HydrophobicContact CG1-CZ 3.88Å; V118-V374 PolarHBondContact N-O 2.95Å; V118-V374 PolarHBondContact O-N 3.4Å
119L89.7Confident91.3Very high13 Ų1325.2 Ų25.27%0.06812%0.118CC..EExtended strand (participates in β ladder)trans-120129.7172.3172.769.1000109.4V89 V90 I91 F362 L369 R372V89-L119 PolarHBondContact O-N 3.07Å; V90-L119 HydrophobicContact CG1-CD2 4.05Å; V90-L119 HydrophobicContact CG2-CD2 4.25Å; I91-L119 PolarHBondContact N-O 3.22Å; L119-F362 HydrophobicContact CD2-CD1 3.6Å; L119-F362 HydrophobicContact CD2-CE1 3.44Å; L119-F362 VanDerWaalsContact CD2-CE1 3.44Å; L119-L369 HydrophobicContact CD2-CD2 3.76Å; L119-R372 HydrophobicContact CD1-CB 4.34Å
120F90.1Very high91.2Very high24 Ų2426 Ų2611%0.10512%0.123CC..EExtended strand (participates in β ladder)trans-98.8116.2170.1-70.6-84.1000109.5I91 E93 R102 L105 T106 V118 I385I91-F120 HydrophobicContact CB-CD1 4.11Å; I91-F120 HydrophobicContact CB-CE1 4.13Å; I91-F120 HydrophobicContact CD1-CE1 3.87Å; I91-F120 HydrophobicContact CD1-CZ 3.91Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.04Å; I91-F120 WeakPolarHBondContact O-CA 3.33Å; E93-F120 HydrophobicContact CG-CB 4.49Å; E93-F120 HydrophobicContact CG-CD1 4.25Å; E93-F120 WeakPolarHBondContact OE1-CB 3.44Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.36Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.35Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 4.05Å; R102-F120 HydrophobicContact CG-CG 4.24Å; R102-F120 HydrophobicContact CG-CZ 3.59Å; L105-F120 HydrophobicContact CD2-CE1 3.94Å; L105-F120 HydrophobicContact CD2-CZ 4.37Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.36Å; V118-F120 HydrophobicContact CG1-CD2 4.06Å; V118-F120 HydrophobicContact CG1-CE2 3.49Å; V118-F120 VanDerWaalsContact CG1-CE2 3.49Å; V118-F120 HydrophobicContact CG1-CZ 3.88Å; F120-I385 HydrophobicContact CD2-CD1 4.14Å; F120-I385 HydrophobicContact CD2-CG2 4.11Å; F120-I385 HydrophobicContact CE2-CD1 3.53Å; F120-I385 HydrophobicContact CE2-CG2 4.32Å
121A89.1Confident91Very high2 Ų227.9 Ų27.92%0.01713%0.133CC..EExtended strand (participates in β ladder)trans-115.7128.7-177.200000110.4V90 I91 I92 E93 S123 M126V90-A121 HydrophobicContact CG1-CB 4.32Å; I91-A121 PolarHBondContact O-N 3.21Å; I92-A121 WeakPolarHBondContact CA-O 3.06Å; E93-A121 PolarHBondContact N-O 2.85Å; A121-S123 PolarHBondContact O-N 2.87Å; A121-M126 HydrophobicContact CB-CE 4.03Å; A121-M126 HydrophobicContact CB-CG 3.89Å; A121-M126 HydrophobicContact CB-SD 3.77Å
122P90.6Very high90.9Very high7 Ų722.7 Ų22.75%0.04513%0.133CC..EExtended strand (participates in β ladder)trans-72.9130.1-179.524.5-27.7000111.4E93 I95 H124 L125 M126 W388E93-P122 WeakPolarHBondContact O-CA 3.24Å; I95-P122 HydrophobicContact CD1-CB 4.04Å; I95-P122 HydrophobicContact CG1-CB 3.58Å; P122-H124 VanDerWaalsContact C-N 3.32Å; P122-H124 PolarHBondContact O-N 3.24Å; P122-L125 HydrophobicContact CG-CB 3.82Å; P122-L125 HydrophobicContact CG-CD2 4.16Å; P122-L125 PolarHBondContact O-N 3.38Å; P122-L125 VanDerWaalsContact O-N 3.14Å; P122-M126 WeakPolarHBondContact O-CG 3.25Å; P122-M126 PolarHBondContact O-N 3.18Å; P122-M126 VanDerWaalsContact O-N 3.12Å; P122-W388 HydrophobicContact CG-CH2 4.47Å; P122-W388 HydrophobicContact CG-CZ2 4.04Å
123S92.8Very high90.8Very high7 Ų721 Ų215%0.04913%0.126CC..Hα-helixtrans-48.1-48-177.81750000113.5E93 A121 L125 M126 A127 A355E93-S123 PolarHBondContact O-N 2.73Å; A121-S123 PolarHBondContact O-N 2.87Å; S123-L125 PolarHBondContact O-N 3.25Å; S123-M126 WeakPolarHBondContact O-CB 3.32Å; S123-M126 PolarHBondContact O-N 2.96Å; S123-A127 PolarHBondContact O-N 3.33Å; S123-A355 VanDerWaalsContact OG-CB 3.27Å; S123-A355 WeakPolarHBondContact OG-CB 3.36Å
124H92.6Very high90.9Very high0 Ų024.4 Ų24.40%015%0.145CC..Hα-helixtrans-63-42-176.8-58.372.7000112.3P122 A127 V128 V138 D140 L147 L149 I151P122-H124 VanDerWaalsContact C-N 3.32Å; P122-H124 PolarHBondContact O-N 3.24Å; H124-A127 PolarHBondContact O-N 3.07Å; H124-V128 PolarHBondContact O-N 3.3Å; H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.16Å; H124-D140 WeakPolarHBondContact NE2-CB 3.45Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.35Å; H124-L149 HydrophobicContact CB-CB 4.21Å; H124-L149 HydrophobicContact CB-CD2 3.62Å; H124-I151 VanDerWaalsContact C-CD1 3.47Å; H124-I151 HydrophobicContact CB-CD1 3.97Å; H124-I151 WeakPolarHBondContact O-CD1 3.33Å
125L90.9Very high90.9Very high21 Ų2121.4 Ų21.411%0.1113%0.132CC..Hα-helixtrans-66.9-43177.6-17562.8000110.6P122 S123 A127 V128 M129 I151 C154P122-L125 HydrophobicContact CG-CB 3.82Å; P122-L125 HydrophobicContact CG-CD2 4.16Å; P122-L125 PolarHBondContact O-N 3.38Å; P122-L125 VanDerWaalsContact O-N 3.14Å; S123-L125 PolarHBondContact O-N 3.25Å; L125-A127 VanDerWaalsContact C-N 3.28Å; L125-A127 PolarHBondContact O-N 3.32Å; L125-V128 PolarHBondContact O-N 3.07Å; L125-M129 VanDerWaalsContact O-CG 3.31Å; L125-M129 WeakPolarHBondContact O-CG 3.44Å; L125-M129 PolarHBondContact O-N 2.87Å; L125-M129 VanDerWaalsContact O-N 3.1Å; L125-I151 HydrophobicContact CB-CD1 4.43Å; L125-I151 HydrophobicContact CD1-CD1 4.47Å; L125-I151 HydrophobicContact CD1-CG2 4.25Å; L125-C154 WeakPolarHBondContact CD1-O 3.43Å
126M91.8Very high91Very high1 Ų121.4 Ų21.41%0.00513%0.132CC..Hα-helixtrans-60.1-41.1177.1-64.1-55.1100.200111A121 P122 S123 V128 M129 T130 A355 G358 F362A121-M126 HydrophobicContact CB-CE 4.03Å; A121-M126 HydrophobicContact CB-CG 3.89Å; A121-M126 HydrophobicContact CB-SD 3.77Å; P122-M126 WeakPolarHBondContact O-CG 3.25Å; P122-M126 PolarHBondContact O-N 3.18Å; P122-M126 VanDerWaalsContact O-N 3.12Å; S123-M126 WeakPolarHBondContact O-CB 3.32Å; S123-M126 PolarHBondContact O-N 2.96Å; M126-V128 PolarHBondContact O-N 3.12Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 2.79Å; M126-T130 PolarHBondContact O-N 3.3Å; M126-A355 WeakPolarHBondContact CB-O 3.49Å; M126-G358 WeakPolarHBondContact O-CA 3.24Å; M126-F362 HydrophobicContact CE-CB 4.48Å; M126-F362 HydrophobicContact CE-CD1 4.46Å; M126-F362 HydrophobicContact CE-CD2 3.81Å; M126-F362 HydrophobicContact CE-CE2 4.03Å; M126-F362 HydrophobicContact CE-CG 4.01Å; M126-F362 HydrophobicContact CE-CZ 4.42Å; M126-F362 HydrophobicContact SD-CB 3.64Å; M126-F362 HydrophobicContact SD-CD1 4.31Å; M126-F362 HydrophobicContact SD-CD2 4.1Å; M126-F362 HydrophobicContact SD-CG 3.78Å
127A92.7Very high91.2Very high0 Ų019 Ų190%012%0.116CC..Hα-helixtrans-60.5-43.3176.800000113S123 H124 L125 M129 T130 V138 I307 T354S123-A127 PolarHBondContact O-N 3.33Å; H124-A127 PolarHBondContact O-N 3.07Å; L125-A127 VanDerWaalsContact C-N 3.28Å; L125-A127 PolarHBondContact O-N 3.32Å; A127-M129 VanDerWaalsContact C-N 3.33Å; A127-M129 PolarHBondContact O-N 3.35Å; A127-T130 WeakPolarHBondContact O-CB 3.07Å; A127-T130 PolarHBondContact O-N 3.46Å; A127-T130 PolarHBondContact O-OG1 3.48Å; A127-V138 HydrophobicContact CB-CG1 4.37Å; A127-I307 HydrophobicContact CB-CD1 3.71Å; A127-I307 HydrophobicContact CB-CG2 3.85Å; A127-T354 HydrophobicContact CB-CG2 4.02Å
128V92.4Very high91.5Very high0 Ų018.7 Ų18.70%011%0.114CC..Hα-helixtrans-63.2-39.7177.3172.10000111.9H124 L125 M126 T130 L131 G132 I133 A136 V138 I151H124-V128 PolarHBondContact O-N 3.3Å; L125-V128 PolarHBondContact O-N 3.07Å; M126-V128 PolarHBondContact O-N 3.12Å; V128-T130 PolarHBondContact O-N 2.84Å; V128-L131 PolarHBondContact O-N 2.95Å; V128-G132 PolarHBondContact O-N 2.73Å; V128-I133 HydrophobicContact CG1-CG1 3.98Å; V128-I133 WeakPolarHBondContact CG1-O 3.42Å; V128-A136 HydrophobicContact CG2-CB 3.91Å; V128-V138 HydrophobicContact CG2-CG2 3.31Å; V128-I151 HydrophobicContact CB-CD1 4.31Å; V128-I151 HydrophobicContact CG2-CB 4.46Å; V128-I151 HydrophobicContact CG2-CD1 3.56Å
129M89.4Confident91.6Very high61 Ų6118.7 Ų18.730%0.311%0.114SC..Hα-helixtrans-59.8-28.2177.7-67.8-64.4-65.900112.8L125 M126 A127 L131 G132L125-M129 VanDerWaalsContact O-CG 3.31Å; L125-M129 WeakPolarHBondContact O-CG 3.44Å; L125-M129 PolarHBondContact O-N 2.87Å; L125-M129 VanDerWaalsContact O-N 3.1Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 2.79Å; A127-M129 VanDerWaalsContact C-N 3.33Å; A127-M129 PolarHBondContact O-N 3.35Å; M129-L131 VanDerWaalsContact C-N 3.27Å; M129-L131 PolarHBondContact O-N 2.68Å; M129-G132 PolarHBondContact O-N 3.06Å
130T91.3Very high91.9Very high17 Ų1719.4 Ų19.410%0.10412%0.118CC..Hα-helixtrans-66.9-28.5176.769.90000113.7M126 A127 V128 T354 L357 G358 I361M126-T130 PolarHBondContact O-N 3.3Å; A127-T130 WeakPolarHBondContact O-CB 3.07Å; A127-T130 PolarHBondContact O-N 3.46Å; A127-T130 PolarHBondContact O-OG1 3.48Å; V128-T130 PolarHBondContact O-N 2.84Å; T130-T354 HydrophobicContact CG2-CG2 4.13Å; T130-T354 WeakPolarHBondContact CG2-O 3.44Å; T130-L357 HydrophobicContact CG2-CB 4.13Å; T130-L357 HydrophobicContact CG2-CD2 4.21Å; T130-L357 HydrophobicContact CG2-CG 4.05Å; T130-G358 VanDerWaalsContact CG2-CA 3.48Å; T130-G358 VanDerWaalsContact CG2-N 3.32Å; T130-I361 HydrophobicContact CG2-CD1 4.42Å
131L89.6Confident92Very high46 Ų4618.3 Ų18.324%0.24111%0.114CC..Hα-helixtrans-91-15-178.5-73.7170.9000112.6V128 M129 I133 V305 H345V128-L131 PolarHBondContact O-N 2.95Å; M129-L131 VanDerWaalsContact C-N 3.27Å; M129-L131 PolarHBondContact O-N 2.68Å; L131-I133 HydrophobicContact CB-CD1 4.11Å; L131-I133 HydrophobicContact CB-CG1 4.02Å; L131-I133 HydrophobicContact CB-CG2 4.46Å; L131-I133 HydrophobicContact CD1-CD1 3.97Å; L131-I133 PolarHBondContact O-N 3.25Å; L131-V305 HydrophobicContact CD1-CB 4.37Å; L131-V305 HydrophobicContact CD1-CG1 3.94Å; L131-V305 HydrophobicContact CD1-CG2 3.44Å; L131-V305 VanDerWaalsContact CD1-CG2 3.44Å; L131-H345 HydrophobicContact CD1-CB 3.96Å; L131-H345 HydrophobicContact CD2-CB 4.46Å
132G88.2Confident92.1Very high64 Ų6419.1 Ų19.166%0.6612%0.122SC*.THydrogen-bonded Turntrans66.924.5-177.200000113.8V128 M129V128-G132 PolarHBondContact O-N 2.73Å; M129-G132 PolarHBondContact O-N 3.06Å
133I91.2Very high92.2Very high39 Ų3920.5 Ų20.520%0.213%0.126CC..  trans-102.3144.5174.663.8-173.6000109.5V128 L131 A136 N303 V305V128-I133 HydrophobicContact CG1-CG1 3.98Å; V128-I133 WeakPolarHBondContact CG1-O 3.42Å; L131-I133 HydrophobicContact CB-CD1 4.11Å; L131-I133 HydrophobicContact CB-CG1 4.02Å; L131-I133 HydrophobicContact CB-CG2 4.46Å; L131-I133 HydrophobicContact CD1-CD1 3.97Å; L131-I133 PolarHBondContact O-N 3.25Å; I133-A136 HydrophobicContact CD1-CB 3.68Å; I133-A136 HydrophobicContact CG1-CB 4.23Å; I133-N303 HydrophobicContact CD1-CB 4.45Å; I133-V305 HydrophobicContact CD1-CG2 4.15Å
134N91.4Very high92.1Very high84 Ų8422.9 Ų22.945%0.44914%0.141SC..SBendtrans-84.3-30.2-178.3-671.2000113.1E153 C154N134-E153 PolarHBondContact ND2-OE2 3.05Å; N134-E153 VanDerWaalsContact ND2-OE2 3.16Å; N134-E153 PolarHBondContact O-N 2.63Å; N134-C154 PolarHBondContact O-N 3.23Å
135S93.3Very high92Very high6 Ų625.9 Ų25.94%0.04216%0.155CC..  trans-131.6120.9-170.3-63.10000110.1I151 E153 N303S135-I151 CarbonylContact C-O 3.54Å; S135-I151 VanDerWaalsContact CA-O 3.25Å; S135-I151 WeakPolarHBondContact CA-O 3.48Å; S135-E153 PolarHBondContact OG-N 3.07Å; S135-N303 WeakPolarHBondContact O-CB 3.28Å; S135-N303 PolarHBondContact O-ND2 2.82Å
136A94.5Very high92.1Very high0 Ų024.9 Ų24.90%015%0.15CC..EExtended strand (participates in β ladder)trans-157.1147.5-178.500000111.8V128 I133 I151 N303 V305V128-A136 HydrophobicContact CG2-CB 3.91Å; I133-A136 HydrophobicContact CD1-CB 3.68Å; I133-A136 HydrophobicContact CG1-CB 4.23Å; A136-I151 PolarHBondContact N-O 3.22Å; A136-I151 PolarHBondContact O-N 3.34Å; A136-N303 CarbonylContact C-O 3.55Å; A136-N303 VanDerWaalsContact CA-O 3.29Å; A136-N303 WeakPolarHBondContact CA-O 3.42Å; A136-N303 HydrophobicContact CB-CB 4.2Å; A136-V305 HydrophobicContact CB-CG2 3.94Å
137L94.1Very high92.2Very high1 Ų125.1 Ų25.11%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-86.4117.4164.1-17466.6000108.5V148 P150 I284 L288 L300 N303 L304 V305L137-V148 HydrophobicContact CD1-CG1 3.59Å; L137-V148 HydrophobicContact CD2-CG1 4.42Å; L137-V148 HydrophobicContact CG-CG1 4.07Å; L137-P150 HydrophobicContact CD1-CB 3.73Å; L137-P150 HydrophobicContact CD1-CG 4.34Å; L137-I284 HydrophobicContact CD2-CB 4.28Å; L137-I284 HydrophobicContact CD2-CG2 3.37Å; L137-L288 HydrophobicContact CD1-CD2 4.38Å; L137-L288 HydrophobicContact CD2-CD1 3.83Å; L137-L288 HydrophobicContact CD2-CD2 4.01Å; L137-L288 HydrophobicContact CD2-CG 3.79Å; L137-L300 HydrophobicContact CB-CB 4.41Å; L137-N303 PolarHBondContact N-O 3.2Å; L137-L304 HydrophobicContact CB-CD1 4.19Å; L137-L304 HydrophobicContact CD2-CD1 4.05Å; L137-L304 HydrophobicContact CG-CD1 4.15Å; L137-V305 PolarHBondContact O-N 2.69Å
138V94.8Very high92.3Very high0 Ų025.1 Ų25.10%015%0.151CC..EExtended strand (participates in β ladder)trans-104.7132.2179.4-173.50000109.7H124 A127 V128 V148 L149 I151 V305 I307H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.16Å; A127-V138 HydrophobicContact CB-CG1 4.37Å; V128-V138 HydrophobicContact CG2-CG2 3.31Å; V138-V148 WeakPolarHBondContact O-CA 3.47Å; V138-L149 PolarHBondContact N-O 2.92Å; V138-L149 PolarHBondContact O-N 3.24Å; V138-I151 HydrophobicContact CG2-CD1 3.91Å; V138-V305 CarbonylContact C-O 3.57Å; V138-V305 WeakPolarHBondContact CA-O 3.5Å; V138-V305 HydrophobicContact CG2-CB 4.32Å; V138-I307 HydrophobicContact CG1-CD1 3.78Å; V138-I307 HydrophobicContact CG1-CG1 4.1Å
139M94.3Very high92.4Very high0 Ų025.2 Ų25.20%015%0.151CC..EExtended strand (participates in β ladder)trans-119.6115.5175.4177.9-161-172.400109C141 T146 L147 V148 V280 I284 V305 V306 I307 L320M139-C141 WeakPolarHBondContact CE-SG 3.36Å; M139-T146 HydrophobicContact CE-CG2 3.81Å; M139-T146 HydrophobicContact CG-CG2 4.26Å; M139-L147 CarbonylContact C-O 3.55Å; M139-L147 WeakPolarHBondContact CA-O 3.46Å; M139-V148 HydrophobicContact CB-CG2 4.06Å; M139-V148 HydrophobicContact CG-CG2 3.85Å; M139-V280 HydrophobicContact CE-CB 4.32Å; M139-V280 HydrophobicContact CE-CG1 2.95Å; M139-I284 HydrophobicContact CE-CD1 4.43Å; M139-I284 HydrophobicContact SD-CD1 3.75Å; M139-I284 HydrophobicContact SD-CG1 4.24Å; M139-V305 PolarHBondContact N-O 2.68Å; M139-V306 HydrophobicContact SD-CG1 4.2Å; M139-V306 HydrophobicContact SD-CG2 4.28Å; M139-I307 PolarHBondContact O-N 3.39Å; M139-L320 HydrophobicContact CE-CD1 4.38Å; M139-L320 HydrophobicContact CE-CD2 4.34Å; M139-L320 HydrophobicContact SD-CD2 3.76Å
140D94.4Very high92.6Very high28 Ų2822.3 Ų22.315%0.1514%0.137CC..EExtended strand (participates in β ladder)trans-102.6106.3176.9-170.1-0.5000110.7H124 G142 T146 L147 I307 G308H124-D140 WeakPolarHBondContact NE2-CB 3.45Å; D140-G142 PolarHBondContact O-N 2.56Å; D140-T146 CarbonylContact O-C 3.57Å; D140-T146 VanDerWaalsContact O-CA 3.26Å; D140-T146 WeakPolarHBondContact O-CA 3.36Å; D140-L147 PolarHBondContact N-O 3.12Å; D140-L147 PolarHBondContact O-N 2.9Å; D140-I307 HydrophobicContact CB-CD1 3.93Å; D140-I307 HydrophobicContact CB-CG1 3.66Å; D140-G308 WeakPolarHBondContact OD1-CA 3.44Å
141C93.5Very high92.7Very high1 Ų121.5 Ų21.51%0.00713%0.132CC..EExtended strand (participates in β ladder)trans-91.784.3175.7-57.40000110.2M139 I307 G308 G309 T310M139-C141 WeakPolarHBondContact CE-SG 3.36Å; C141-I307 PolarHBondContact N-O 3.5Å; C141-G308 CarbonylContact O-C 3.53Å; C141-G308 WeakPolarHBondContact O-CA 3.48Å; C141-G309 PolarHBondContact O-N 2.96Å; C141-T310 PolarHBondContact O-N 3.14Å; C141-T310 PolarHBondContact O-OG1 3.25Å
142G91.6Very high92.9Very high19 Ų1923.1 Ų23.120%0.19614%0.136CC..  trans-82.5-165.7-176.200000115D140 E145 G168 T310D140-G142 PolarHBondContact O-N 2.56Å; G142-E145 WeakPolarHBondContact CA-O 3.14Å; G142-E145 PolarHBondContact N-O 3.3Å; G142-G168 PolarHBondContact O-N 3.38Å; G142-G168 VanDerWaalsContact O-N 3.13Å; G142-T310 PolarHBondContact O-OG1 2.95Å
143Y91.3Very high93Very high35 Ų3524.8 Ų24.814%0.13713%0.126CC..SBendtrans-79.2-50174.6-175.7-116000111.9A22 A23 G167 G168 K169 H172 E204A22-Y143 HydrophobicContact CB-CD1 4.15Å; A23-Y143 HydrophobicContact CB-CD1 3.95Å; A23-Y143 HydrophobicContact CB-CD2 3.92Å; A23-Y143 HydrophobicContact CB-CE1 4.45Å; A23-Y143 HydrophobicContact CB-CE2 4.47Å; A23-Y143 HydrophobicContact CB-CG 3.64Å; Y143-G167 CarbonylContact O-C 3.56Å; Y143-G168 PolarHBondContact O-N 3.42Å; Y143-K169 HydrophobicContact CD1-CB 4.42Å; Y143-K169 HydrophobicContact CE1-CB 4.18Å; Y143-K169 HydrophobicContact CE2-CB 4.35Å; Y143-K169 WeakPolarHBondContact O-CB 3.4Å; Y143-K169 PolarHBondContact O-N 3.36Å; Y143-H172 AromaticContact CE2-CE1 3.61Å; Y143-H172 AromaticContact CE2-ND1 3.61Å; Y143-H172 AromaticContact CZ-ND1 3.91Å; Y143-H172 PolarHBondContact OH-ND1 2.81Å; Y143-E204 PolarHBondContact OH-OE2 2.83Å; Y143-E204 VanDerWaalsContact OH-OE2 3.07Å
144T90Very high92.7Very high57 Ų5725.3 Ų25.335%0.3513%0.133SC..SBendtrans-81.6-41.5-175.6-53.10000112.3A22A22-T144 WeakPolarHBondContact CB-OG1 3.44Å
145E91.5Very high92.5Very high63 Ų6325.6 Ų25.629%0.29414%0.138SC..  trans-148.5160.8-170.963.8-171.7168.900110.7G142 L164G142-E145 WeakPolarHBondContact CA-O 3.14Å; G142-E145 PolarHBondContact N-O 3.3Å; E145-L164 CarbonylContact C-O 3.56Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.48Å; E145-L164 WeakPolarHBondContact CB-O 3.28Å
146T93.4Very high92.4Very high1 Ų126.4 Ų26.41%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-105.3122.9164.5-66.50000108.3M139 D140 A163 L164 L166 V280 L283M139-T146 HydrophobicContact CE-CG2 3.81Å; M139-T146 HydrophobicContact CG-CG2 4.26Å; D140-T146 CarbonylContact O-C 3.57Å; D140-T146 VanDerWaalsContact O-CA 3.26Å; D140-T146 WeakPolarHBondContact O-CA 3.36Å; T146-A163 VanDerWaalsContact O-CA 3.32Å; T146-A163 WeakPolarHBondContact O-CA 3.19Å; T146-L164 PolarHBondContact N-O 3.17Å; T146-L164 PolarHBondContact O-N 3.02Å; T146-L166 VanDerWaalsContact CB-O 3.31Å; T146-L166 WeakPolarHBondContact CB-O 3.31Å; T146-L166 PolarHBondContact N-O 2.91Å; T146-L166 PolarHBondContact OG1-O 3.39Å; T146-V280 HydrophobicContact CG2-CG1 4.46Å; T146-L283 HydrophobicContact CG2-CD2 4.03Å
147L93.9Very high92.2Very high5 Ų528 Ų283%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-115.8133.3-177.9175.655.6000109.6S94 L96 H124 M139 D140 W161 E162 A163S94-L147 WeakPolarHBondContact OG-CD2 3.39Å; L96-L147 HydrophobicContact CD1-CD1 3.75Å; L96-L147 HydrophobicContact CD1-CD2 3.95Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.41Å; L96-L147 HydrophobicContact CG-CD2 4.03Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.35Å; M139-L147 CarbonylContact C-O 3.55Å; M139-L147 WeakPolarHBondContact CA-O 3.46Å; D140-L147 PolarHBondContact N-O 3.12Å; D140-L147 PolarHBondContact O-N 2.9Å; L147-W161 HydrophobicContact CD1-CB 4.5Å; L147-W161 HydrophobicContact CD1-CE3 3.93Å; L147-E162 WeakPolarHBondContact CD1-O 3.4Å; L147-A163 HydrophobicContact CD1-CB 4.04Å
148V94.5Very high91.9Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-112.6128.8170.81740000108.7L137 V138 M139 W161 E162 L283 I284 A287L137-V148 HydrophobicContact CD1-CG1 3.59Å; L137-V148 HydrophobicContact CD2-CG1 4.42Å; L137-V148 HydrophobicContact CG-CG1 4.07Å; V138-V148 WeakPolarHBondContact O-CA 3.47Å; M139-V148 HydrophobicContact CB-CG2 4.06Å; M139-V148 HydrophobicContact CG-CG2 3.85Å; V148-W161 WeakPolarHBondContact O-CA 3.34Å; V148-E162 PolarHBondContact N-O 3.18Å; V148-E162 PolarHBondContact O-N 2.87Å; V148-E162 VanDerWaalsContact O-N 3.17Å; V148-L283 HydrophobicContact CB-CD2 4.34Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.28Å; V148-L283 HydrophobicContact CG2-CD2 3.67Å; V148-L283 HydrophobicContact CG2-CG 3.79Å; V148-I284 HydrophobicContact CG2-CG1 4.12Å; V148-A287 HydrophobicContact CG1-CB 3.77Å
149L93.4Very high91.5Very high2 Ų235.8 Ų35.81%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-135120175-173.381.9000111I95 H124 V138 I151 P156 W161I95-L149 HydrophobicContact CD1-CD1 4.1Å; I95-L149 HydrophobicContact CD1-CD2 3.12Å; I95-L149 HydrophobicContact CD1-CG 4.14Å; H124-L149 HydrophobicContact CB-CB 4.21Å; H124-L149 HydrophobicContact CB-CD2 3.62Å; V138-L149 PolarHBondContact N-O 2.92Å; V138-L149 PolarHBondContact O-N 3.24Å; L149-I151 HydrophobicContact CD2-CD1 4.47Å; L149-I151 HydrophobicContact CD2-CG1 4.17Å; L149-P156 HydrophobicContact CD1-CB 4.49Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.33Å; L149-W161 HydrophobicContact CD1-CB 4Å
150P94.4Very high91.2Very high0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans-77.3134.4169.426.5-28.4000112L137 I157 A160 L300L137-P150 HydrophobicContact CD1-CB 3.73Å; L137-P150 HydrophobicContact CD1-CG 4.34Å; P150-I157 HydrophobicContact CB-CD1 4.49Å; P150-I157 HydrophobicContact CG-CB 4.17Å; P150-I157 PolarHBondContact O-N 3.46Å; P150-A160 WeakPolarHBondContact CD-O 3.49Å; P150-A160 HydrophobicContact CG-CB 3.46Å; P150-A160 VanDerWaalsContact CG-CB 3.46Å; P150-L300 HydrophobicContact CB-CD1 3.73Å; P150-L300 HydrophobicContact CB-CD2 4.12Å
151I93.4Very high91.1Very high0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-119.6126.8174.8-63.7165.2000107.9H124 L125 V128 S135 A136 V138 L149 P156 L300H124-I151 VanDerWaalsContact C-CD1 3.47Å; H124-I151 HydrophobicContact CB-CD1 3.97Å; H124-I151 WeakPolarHBondContact O-CD1 3.33Å; L125-I151 HydrophobicContact CB-CD1 4.43Å; L125-I151 HydrophobicContact CD1-CD1 4.47Å; L125-I151 HydrophobicContact CD1-CG2 4.25Å; V128-I151 HydrophobicContact CB-CD1 4.31Å; V128-I151 HydrophobicContact CG2-CB 4.46Å; V128-I151 HydrophobicContact CG2-CD1 3.56Å; S135-I151 CarbonylContact C-O 3.54Å; S135-I151 VanDerWaalsContact CA-O 3.25Å; S135-I151 WeakPolarHBondContact CA-O 3.48Å; A136-I151 PolarHBondContact N-O 3.22Å; A136-I151 PolarHBondContact O-N 3.34Å; V138-I151 HydrophobicContact CG2-CD1 3.91Å; L149-I151 HydrophobicContact CD2-CD1 4.47Å; L149-I151 HydrophobicContact CD2-CG1 4.17Å; I151-P156 HydrophobicContact CG1-CB 4.39Å; I151-L300 VanDerWaalsContact O-CD2 3.24Å; I151-L300 WeakPolarHBondContact O-CD2 3.25Å
152Y92.9Very high91Very high80 Ų8041.5 Ų41.531%0.31422%0.219SC..EExtended strand (participates in β ladder)trans-127.9127.1178.4-174.3-97.7000109.4C154 T155 T296Y152-C154 VanDerWaalsContact C-N 3.27Å; Y152-C154 PolarHBondContact O-N 3.45Å; Y152-T155 PolarHBondContact N-O 3.48Å; Y152-T155 WeakPolarHBondContact O-CB 3.46Å; Y152-T155 PolarHBondContact O-N 2.9Å; Y152-T155 VanDerWaalsContact O-O 3.13Å; Y152-T296 HydrophobicContact CD1-CG2 4.17Å; Y152-T296 HydrophobicContact CD2-CG2 3.83Å; Y152-T296 HydrophobicContact CE1-CG2 4.36Å; Y152-T296 HydrophobicContact CE2-CG2 4.03Å; Y152-T296 HydrophobicContact CG-CG2 3.9Å
153E90.9Very high91Very high99 Ų9941.9 Ų41.946%0.46322%0.22SC..THydrogen-bonded Turntrans46.750.1-175.6-62.7-58.815100112.8N134 S135 T155N134-E153 PolarHBondContact ND2-OE2 3.05Å; N134-E153 VanDerWaalsContact ND2-OE2 3.16Å; N134-E153 PolarHBondContact O-N 2.63Å; S135-E153 PolarHBondContact OG-N 3.07Å; E153-T155 PolarHBondContact O-N 2.81Å; E153-T155 PolarHBondContact O-OG1 3.03Å
154C85.8Confident91Very high50 Ų5041 Ų4134%0.33822%0.218SC..THydrogen-bonded Turntrans60.313.6-178.7-59.70000115.1L125 N134 Y152L125-C154 WeakPolarHBondContact CD1-O 3.43Å; N134-C154 PolarHBondContact O-N 3.23Å; Y152-C154 VanDerWaalsContact C-N 3.27Å; Y152-C154 PolarHBondContact O-N 3.45Å
155T87.7Confident91.1Very high91 Ų9143.2 Ų43.256%0.55823%0.233SC*.EExtended strand (participates in β ladder)trans-113.1124.1176.3-55.50000109.9Y152 E153 I157Y152-T155 PolarHBondContact N-O 3.48Å; Y152-T155 WeakPolarHBondContact O-CB 3.46Å; Y152-T155 PolarHBondContact O-N 2.9Å; Y152-T155 VanDerWaalsContact O-O 3.13Å; E153-T155 PolarHBondContact O-N 2.81Å; E153-T155 PolarHBondContact O-OG1 3.03Å; T155-I157 PolarHBondContact O-N 3.17Å
156P90.1Very high91Very high22 Ų2241.4 Ų41.414%0.14323%0.225CC..EExtended strand (participates in β ladder)trans-69.9130.6175.329.6-33.5000110L149 I151 L158L149-P156 HydrophobicContact CD1-CB 4.49Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.33Å; I151-P156 HydrophobicContact CG1-CB 4.39Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 HydrophobicContact CB-CD2 4.47Å; P156-L158 PolarHBondContact O-N 3.44Å
157I90.1Very high90.7Very high33 Ų3341.3 Ų41.317%0.16923%0.225CC..  trans-82.584.1173.1-52.3174.3000106.8P150 T155 P159 A160 T296 L300P150-I157 HydrophobicContact CB-CD1 4.49Å; P150-I157 HydrophobicContact CG-CB 4.17Å; P150-I157 PolarHBondContact O-N 3.46Å; T155-I157 PolarHBondContact O-N 3.17Å; I157-P159 VanDerWaalsContact C-CD 3.43Å; I157-P159 VanDerWaalsContact C-N 3.33Å; I157-A160 HydrophobicContact CB-CB 4.03Å; I157-A160 HydrophobicContact CG2-CB 3.56Å; I157-A160 WeakPolarHBondContact O-CA 3.23Å; I157-A160 WeakPolarHBondContact O-CB 3.39Å; I157-A160 PolarHBondContact O-N 3.13Å; I157-T296 HydrophobicContact CD1-CG2 4.37Å; I157-L300 HydrophobicContact CD1-CD1 4.49Å
158L87.4Confident90.6Very high63 Ų6341.2 Ų41.233%0.3323%0.225SC..G310 helixtrans-55.8-37.1-176.5-69.4177.1000114I95 P156 A160I95-L158 HydrophobicContact CG2-CD2 3.8Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 HydrophobicContact CB-CD2 4.47Å; P156-L158 PolarHBondContact O-N 3.44Å; L158-A160 PolarHBondContact O-N 3.37Å; L158-A160 VanDerWaalsContact O-N 3.14Å
159P87.4Confident90.4Very high103 Ų10347 Ų4767%0.66925%0.25SS*.G310 helixtrans-71.8-1176.5-1932.9000114.4I157 Q291I157-P159 VanDerWaalsContact C-CD 3.43Å; I157-P159 VanDerWaalsContact C-N 3.33Å; P159-Q291 VanDerWaalsContact C-OE1 3.25Å; P159-Q291 PolarHBondContact O-OE1 3.14Å
160A88.6Confident90.3Very high0 Ų048 Ų480%026%0.258CS..G310 helixtrans-110.618.9-175.800000114.3P150 I157 L158 Q291P150-A160 WeakPolarHBondContact CD-O 3.49Å; P150-A160 HydrophobicContact CG-CB 3.46Å; P150-A160 VanDerWaalsContact CG-CB 3.46Å; I157-A160 HydrophobicContact CB-CB 4.03Å; I157-A160 HydrophobicContact CG2-CB 3.56Å; I157-A160 WeakPolarHBondContact O-CA 3.23Å; I157-A160 WeakPolarHBondContact O-CB 3.39Å; I157-A160 PolarHBondContact O-N 3.13Å; L158-A160 PolarHBondContact O-N 3.37Å; L158-A160 VanDerWaalsContact O-N 3.14Å; A160-Q291 VanDerWaalsContact CA-CB 3.44Å; A160-Q291 HydrophobicContact CB-CB 3.67Å
161W90.6Very high90.2Very high112 Ų11248 Ų4842%0.42426%0.258SS..  trans-83.6144.7178.376.7-69000111.7L96 L147 V148 L149 A163 Q291L96-W161 HydrophobicContact CD1-CD2 4.49Å; L96-W161 HydrophobicContact CD1-CE3 3.55Å; L96-W161 HydrophobicContact CD1-CH2 4.04Å; L96-W161 HydrophobicContact CD1-CZ3 3.28Å; L96-W161 HydrophobicContact CD2-CD2 3.93Å; L96-W161 HydrophobicContact CD2-CE3 3.8Å; L96-W161 HydrophobicContact CD2-CH2 3.96Å; L96-W161 HydrophobicContact CD2-CZ2 4.11Å; L96-W161 HydrophobicContact CD2-CZ3 3.82Å; L96-W161 HydrophobicContact CG-CE3 4.24Å; L96-W161 HydrophobicContact CG-CZ3 4.19Å; L147-W161 HydrophobicContact CD1-CB 4.5Å; L147-W161 HydrophobicContact CD1-CE3 3.93Å; V148-W161 WeakPolarHBondContact O-CA 3.34Å; L149-W161 HydrophobicContact CD1-CB 4Å; W161-A163 HydrophobicContact CE3-CB 4.05Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å; W161-Q291 PolarHBondContact O-NE2 3.12Å; W161-Q291 PolarHBondContact O-OE1 3.23Å; W161-Q291 VanDerWaalsContact O-OE1 3.1Å
162E91.8Very high90Very high37 Ų3748.4 Ų48.417%0.17326%0.26CS..EExtended strand (participates in β ladder)trans-139139.3172.3-68.2-80-174.400108.7L147 V148 L283 A287 Q291L147-E162 WeakPolarHBondContact CD1-O 3.4Å; V148-E162 PolarHBondContact N-O 3.18Å; V148-E162 PolarHBondContact O-N 2.87Å; V148-E162 VanDerWaalsContact O-N 3.17Å; E162-L283 HydrophobicContact CB-CD1 3.39Å; E162-L283 HydrophobicContact CB-CG 3.95Å; E162-L283 HydrophobicContact CG-CD1 4.42Å; E162-A287 HydrophobicContact CB-CB 4.37Å; E162-A287 HydrophobicContact CG-CB 3.94Å; E162-Q291 PolarHBondContact OE1-NE2 3.42Å
163A92.1Very high89.9Confident27 Ų2752 Ų5222%0.22328%0.277CS..EExtended strand (participates in β ladder)trans-135.7145.8179.700000111.8L96 T146 L147 W161L96-A163 HydrophobicContact CD1-CB 4.1Å; T146-A163 VanDerWaalsContact O-CA 3.32Å; T146-A163 WeakPolarHBondContact O-CA 3.19Å; L147-A163 HydrophobicContact CD1-CB 4.04Å; W161-A163 HydrophobicContact CE3-CB 4.05Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å
164L92.2Very high89.8Confident16 Ų1650.7 Ų50.78%0.08427%0.271CS..EExtended strand (participates in β ladder)trans-127.9141.9172.2-66.7172.5000110.2E145 T146 L166 K278 S279 L283E145-L164 CarbonylContact C-O 3.56Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.48Å; E145-L164 WeakPolarHBondContact CB-O 3.28Å; T146-L164 PolarHBondContact N-O 3.17Å; T146-L164 PolarHBondContact O-N 3.02Å; L164-L166 HydrophobicContact CB-CB 4.3Å; L164-L166 HydrophobicContact CB-CD1 4.41Å; L164-L166 HydrophobicContact CB-CG 4.34Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å; L164-L166 PolarHBondContact O-N 3.11Å; L164-K278 HydrophobicContact CD1-CB 4.46Å; L164-K278 HydrophobicContact CD2-CB 4.17Å; L164-K278 HydrophobicContact CD2-CD 4Å; L164-S279 WeakPolarHBondContact CD1-O 3.4Å; L164-L283 HydrophobicContact CD1-CB 4.18Å; L164-L283 HydrophobicContact CD1-CD1 3.86Å; L164-L283 HydrophobicContact CD1-CD2 4.18Å; L164-L283 HydrophobicContact CD1-CG 4.33Å; L164-L283 HydrophobicContact CD2-CD1 4.43Å; L164-L283 HydrophobicContact CG-CD1 3.69Å; L164-L283 HydrophobicContact CG-CD2 4.13Å; L164-L283 HydrophobicContact CG-CG 4.44Å
165P90.9Very high89.9Confident104 Ų10448.4 Ų48.468%0.67526%0.256SS*.SBendtrans-74.431.3173.335.1-37.1000112.4
166L89.3Confident89.9Confident24 Ų2446 Ų4613%0.12624%0.24CC..  trans-100.4111.5174.7-68174.4000107.7T146 L164 A170 L270 V280T146-L166 VanDerWaalsContact CB-O 3.31Å; T146-L166 WeakPolarHBondContact CB-O 3.31Å; T146-L166 PolarHBondContact N-O 2.91Å; T146-L166 PolarHBondContact OG1-O 3.39Å; L164-L166 HydrophobicContact CB-CB 4.3Å; L164-L166 HydrophobicContact CB-CD1 4.41Å; L164-L166 HydrophobicContact CB-CG 4.34Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å; L164-L166 PolarHBondContact O-N 3.11Å; L166-A170 HydrophobicContact CD2-CB 4.45Å; L166-L270 HydrophobicContact CB-CD2 4.35Å; L166-V280 HydrophobicContact CB-CG2 4.23Å; L166-V280 HydrophobicContact CD1-CG2 4.26Å
167G88.4Confident89.8Confident0 Ų046.5 Ų46.50%025%0.248CC..SBendtrans-164-160.5-179.200000110.9Y143 K169 A170 I171Y143-G167 CarbonylContact O-C 3.56Å; G167-K169 PolarHBondContact O-N 3.02Å; G167-A170 PolarHBondContact O-N 3Å; G167-I171 PolarHBondContact O-N 3.42Å
168G90.4Very high89.5Confident2 Ų246.6 Ų46.62%0.02125%0.247CC..Hα-helixtrans-56.4-34.5178.600000114.3G142 Y143 I171 H172G142-G168 PolarHBondContact O-N 3.38Å; G142-G168 VanDerWaalsContact O-N 3.13Å; Y143-G168 PolarHBondContact O-N 3.42Å; G168-I171 WeakPolarHBondContact O-CB 3.21Å; G168-I171 PolarHBondContact O-N 3.43Å; G168-H172 PolarHBondContact O-CD2 2.93Å; G168-H172 VanDerWaalsContact O-CG 3.26Å; G168-H172 PolarHBondContact O-N 3.4Å
169K90.9Very high89.3Confident123 Ų12343.6 Ų43.654%0.53523%0.232SC..Hα-helixtrans-68-39.4178.8-173.7179.9-179.6-177.40112.4Y143 G167 H172 K173Y143-K169 HydrophobicContact CD1-CB 4.42Å; Y143-K169 HydrophobicContact CE1-CB 4.18Å; Y143-K169 HydrophobicContact CE2-CB 4.35Å; Y143-K169 WeakPolarHBondContact O-CB 3.4Å; Y143-K169 PolarHBondContact O-N 3.36Å; G167-K169 PolarHBondContact O-N 3.02Å; K169-H172 PolarHBondContact O-N 3.04Å; K169-K173 PolarHBondContact O-N 3.46Å
170A91.4Very high89Confident22 Ų2241.6 Ų41.618%0.18222%0.217CC..Hα-helixtrans-64.5-45.3175.900000110.3L166 G167 H172 K173 E174 I269L166-A170 HydrophobicContact CD2-CB 4.45Å; G167-A170 PolarHBondContact O-N 3Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 2.66Å; A170-K173 PolarHBondContact O-N 3.2Å; A170-E174 WeakPolarHBondContact O-CG 3.37Å; A170-E174 PolarHBondContact O-N 3.13Å; A170-I269 HydrophobicContact CB-CD1 4.43Å
171I91.4Very high88.6Confident0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-57.1-46.7173.7-67.1168.4000111.4G167 G168 K173 E174 L175 K211 V266 M267 I269 L270 T310G167-I171 PolarHBondContact O-N 3.42Å; G168-I171 WeakPolarHBondContact O-CB 3.21Å; G168-I171 PolarHBondContact O-N 3.43Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 3.03Å; I171-E174 PolarHBondContact O-N 3.2Å; I171-L175 VanDerWaalsContact O-CB 3.23Å; I171-L175 WeakPolarHBondContact O-CB 3.27Å; I171-L175 PolarHBondContact O-N 2.95Å; I171-K211 HydrophobicContact CG2-CD 3.93Å; I171-K211 HydrophobicContact CG2-CG 4.14Å; I171-V266 HydrophobicContact CG2-CG1 3.82Å; I171-M267 HydrophobicContact CD1-CE 4.29Å; I171-M267 HydrophobicContact CD1-SD 4.2Å; I171-M267 HydrophobicContact CG2-CE 3.6Å; I171-I269 HydrophobicContact CG1-CD1 4.07Å; I171-L270 HydrophobicContact CD1-CD1 4.01Å; I171-L270 HydrophobicContact CD1-CD2 4.34Å; I171-L270 HydrophobicContact CD1-CG 4.41Å; I171-L270 HydrophobicContact CG1-CD2 4.47Å; I171-T310 HydrophobicContact CD1-CG2 3.71Å
172H91Very high87.7Confident9 Ų946.3 Ų46.34%0.04224%0.244CC..Hα-helixtrans-62.1-40179.2-73.6-165.4000111.9Y143 G168 K169 A170 N176 V207 K211Y143-H172 AromaticContact CE2-CE1 3.61Å; Y143-H172 AromaticContact CE2-ND1 3.61Å; Y143-H172 AromaticContact CZ-ND1 3.91Å; Y143-H172 PolarHBondContact OH-ND1 2.81Å; G168-H172 PolarHBondContact O-CD2 2.93Å; G168-H172 VanDerWaalsContact O-CG 3.26Å; G168-H172 PolarHBondContact O-N 3.4Å; K169-H172 PolarHBondContact O-N 3.04Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 2.66Å; H172-N176 VanDerWaalsContact O-CB 3.31Å; H172-N176 WeakPolarHBondContact O-CB 3.39Å; H172-N176 PolarHBondContact O-N 2.95Å; H172-N176 PolarHBondContact O-ND2 3.47Å; H172-V207 HydrophobicContact CB-CG1 4.13Å; H172-K211 PolarHBondContact NE2-NZ 3.19Å
173K89.9Confident86.6Confident155 Ų15544.7 Ų44.767%0.67424%0.237SC*.Hα-helixtrans-64.1-46.6178.2-173.4-172.1174.6-1630111.4K169 A170 I171 N176 G177K169-K173 PolarHBondContact O-N 3.46Å; A170-K173 PolarHBondContact O-N 3.2Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 3.03Å; K173-N176 PolarHBondContact O-N 3.36Å; K173-G177 PolarHBondContact O-N 3.39Å
174E88.6Confident85.6Confident72 Ų7245.8 Ų45.834%0.33624%0.241SC..Hα-helixtrans-67.8-44.1179.6-70.2-63.3133.600111.8A170 I171 N176 G177 F178 I269A170-E174 WeakPolarHBondContact O-CG 3.37Å; A170-E174 PolarHBondContact O-N 3.13Å; I171-E174 PolarHBondContact O-N 3.2Å; E174-N176 VanDerWaalsContact C-N 3.29Å; E174-N176 PolarHBondContact O-N 3.5Å; E174-G177 PolarHBondContact O-N 3.02Å; E174-G177 VanDerWaalsContact O-N 3.08Å; E174-F178 HydrophobicContact CB-CE2 4.42Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 PolarHBondContact O-N 2.82Å; E174-I269 HydrophobicContact CB-CD1 3.99Å; E174-I269 HydrophobicContact CG-CD1 3.61Å; E174-I269 HydrophobicContact CG-CG2 4.09Å
175L88.7Confident84.7Confident1 Ų145.1 Ų45.11%0.00524%0.238CC..Hα-helixtrans-59-43.8175.3-175.458.6000110.6I171 G177 F178 L179 V207 I210 K211 I262 V266I171-L175 VanDerWaalsContact O-CB 3.23Å; I171-L175 WeakPolarHBondContact O-CB 3.27Å; I171-L175 PolarHBondContact O-N 2.95Å; L175-G177 VanDerWaalsContact C-N 3.34Å; L175-G177 PolarHBondContact O-N 2.85Å; L175-F178 PolarHBondContact O-N 2.92Å; L175-L179 HydrophobicContact CD1-CD1 4.21Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CG-CD1 3.91Å; L175-L179 HydrophobicContact CG-CG 4.28Å; L175-L179 VanDerWaalsContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 WeakPolarHBondContact O-CG 3.26Å; L175-L179 PolarHBondContact O-N 2.95Å; L175-V207 HydrophobicContact CB-CG1 4.32Å; L175-V207 HydrophobicContact CD2-CG1 3.75Å; L175-V207 HydrophobicContact CG-CG1 4.21Å; L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4.05Å; L175-K211 HydrophobicContact CD2-CB 4.23Å; L175-I262 HydrophobicContact CD1-CG2 3.97Å; L175-V266 HydrophobicContact CB-CG1 4.14Å; L175-V266 HydrophobicContact CB-CG2 4.25Å; L175-V266 HydrophobicContact CD1-CG2 3.9Å
176N87.7Confident83.5Confident42 Ų4242 Ų4223%0.22522%0.216CC..Hα-helixtrans-61.4-40.3173.8-82.7-26000113H172 K173 E174 V180 V207H172-N176 VanDerWaalsContact O-CB 3.31Å; H172-N176 WeakPolarHBondContact O-CB 3.39Å; H172-N176 PolarHBondContact O-N 2.95Å; H172-N176 PolarHBondContact O-ND2 3.47Å; K173-N176 PolarHBondContact O-N 3.36Å; E174-N176 VanDerWaalsContact C-N 3.29Å; E174-N176 PolarHBondContact O-N 3.5Å; N176-V180 VanDerWaalsContact O-CG2 3.27Å; N176-V180 WeakPolarHBondContact O-CG2 3.31Å; N176-V180 PolarHBondContact O-N 3.46Å; N176-V180 VanDerWaalsContact O-N 3.07Å; N176-V207 WeakPolarHBondContact OD1-CG2 3.39Å
177G86.6Confident82.5Confident31 Ų3142.3 Ų42.332%0.3222%0.218SC..Hα-helixtrans-58.4-53.8174.500000111.9K173 E174 L175 L179 V180 E181K173-G177 PolarHBondContact O-N 3.39Å; E174-G177 PolarHBondContact O-N 3.02Å; E174-G177 VanDerWaalsContact O-N 3.08Å; L175-G177 VanDerWaalsContact C-N 3.34Å; L175-G177 PolarHBondContact O-N 2.85Å; G177-L179 PolarHBondContact O-N 3.28Å; G177-V180 PolarHBondContact O-N 2.91Å; G177-E181 WeakPolarHBondContact O-CG 3.33Å; G177-E181 PolarHBondContact O-N 3.39Å; G177-E181 VanDerWaalsContact O-N 3.1Å
178F84.8Confident81.1Confident35 Ų3549.3 Ų49.315%0.15426%0.256CS..Hα-helixtrans-65.9-36.1-179.9-69.1-57.2000113.5E174 L175 V180 E181 Q182 I262 V266E174-F178 HydrophobicContact CB-CE2 4.42Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 PolarHBondContact O-N 2.82Å; L175-F178 PolarHBondContact O-N 2.92Å; F178-V180 VanDerWaalsContact C-N 3.3Å; F178-V180 PolarHBondContact O-N 3.47Å; F178-E181 PolarHBondContact O-N 2.92Å; F178-Q182 PolarHBondContact O-N 3.47Å; F178-I262 HydrophobicContact CB-CB 4.48Å; F178-I262 HydrophobicContact CB-CD1 4.44Å; F178-I262 HydrophobicContact CB-CG1 4.2Å; F178-I262 HydrophobicContact CB-CG2 3.61Å; F178-I262 HydrophobicContact CD2-CG2 4.44Å; F178-I262 HydrophobicContact CG-CG2 4.26Å; F178-V266 HydrophobicContact CD2-CG2 3.51Å; F178-V266 HydrophobicContact CE2-CG2 4.02Å
179L82.6Confident79.5Confident0 Ų055.4 Ų55.40%029%0.293CS..Hα-helixtrans-64-37.6176-73.6175.8000111.5L175 G177 C183 V195 I202 I210 L256L175-L179 HydrophobicContact CD1-CD1 4.21Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CG-CD1 3.91Å; L175-L179 HydrophobicContact CG-CG 4.28Å; L175-L179 VanDerWaalsContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 WeakPolarHBondContact O-CG 3.26Å; L175-L179 PolarHBondContact O-N 2.95Å; G177-L179 PolarHBondContact O-N 3.28Å; L179-C183 HydrophobicContact CD2-CB 4.04Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.3Å; L179-V195 WeakPolarHBondContact O-CG2 3.38Å; L179-I202 HydrophobicContact CB-CD1 3.96Å; L179-I202 HydrophobicContact CD1-CD1 3.77Å; L179-I202 HydrophobicContact CG-CD1 4.47Å; L179-I210 HydrophobicContact CD1-CD1 4.11Å; L179-L256 HydrophobicContact CD2-CD2 4.03Å
180V80.9Confident78Confident61 Ų6152.4 Ų52.437%0.3729%0.285SS..Hα-helixtrans-69.9-37.5176.8169.60000111.7N176 G177 F178 P196N176-V180 VanDerWaalsContact O-CG2 3.27Å; N176-V180 WeakPolarHBondContact O-CG2 3.31Å; N176-V180 PolarHBondContact O-N 3.46Å; N176-V180 VanDerWaalsContact O-N 3.07Å; G177-V180 PolarHBondContact O-N 2.91Å; F178-V180 VanDerWaalsContact C-N 3.3Å; F178-V180 PolarHBondContact O-N 3.47Å; V180-P196 HydrophobicContact CG1-CB 4.13Å; V180-P196 HydrophobicContact CG1-CG 4.06Å; V180-P196 VanDerWaalsContact O-CD 3.3Å; V180-P196 WeakPolarHBondContact O-CD 3.46Å
181E79.7Confident76.1Confident145 Ų14557 Ų5768%0.67831%0.31SS*.Hα-helixtrans-81.6-42.2-174.9-70.8177.1-17700114.2G177 F178G177-E181 WeakPolarHBondContact O-CG 3.33Å; G177-E181 PolarHBondContact O-N 3.39Å; G177-E181 VanDerWaalsContact O-N 3.1Å; F178-E181 PolarHBondContact O-N 2.92Å
182Q73Confident74.5Confident66 Ų6659 Ų5931%0.30833%0.331SS..Hα-helixtrans-119.7-8.7-162.1-64.5174.719.500113.9F178 Q259 I262F178-Q182 PolarHBondContact O-N 3.47Å; Q182-Q259 PolarHBondContact O-NE2 3.27Å; Q182-I262 HydrophobicContact CB-CD1 3.92Å; Q182-I262 HydrophobicContact CB-CG1 4.46Å
183C67.8Low73.1Confident3 Ų362.3 Ų62.32%0.0235%0.347CS..  trans-94.1137.8-173.8-158.80000112.2L179 V195 L256 H257L179-C183 HydrophobicContact CD2-CB 4.04Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.3Å; C183-V195 HydrophobicContact CB-CG2 3.89Å; C183-L256 WeakPolarHBondContact SG-CD2 3.43Å; C183-L256 WeakPolarHBondContact SG-CG 3.45Å; C183-H257 PolarHBondContact SG-O 3.26Å
184T71.1Confident71.6Confident51 Ų5158.3 Ų58.331%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-104.2134.8174.950.40000109.9H257T184-H257 PolarHBondContact O-N 3.35Å
185V73.2Confident70Confident2 Ų255 Ų551%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-103.8127173.6-175.40000108.3Q193 V195 I198 K254V185-Q193 PolarHBondContact N-O 2.96Å; V185-Q193 PolarHBondContact O-N 3.12Å; V185-Q193 VanDerWaalsContact O-N 3.11Å; V185-V195 HydrophobicContact CG2-CB 4.37Å; V185-V195 HydrophobicContact CG2-CG2 3.55Å; V185-I198 HydrophobicContact CB-CD1 4.35Å; V185-I198 HydrophobicContact CG1-CD1 4.41Å; V185-K254 HydrophobicContact CG1-CB 4.24Å
186D66.7Low68.4Low39 Ų3958.3 Ų58.321%0.20935%0.345CS..EExtended strand (participates in β ladder)trans-98.8130.5170.9-76.27.2000108.9T191 G192 K254 I255 H257D186-T191 WeakPolarHBondContact OD1-CA 2.92Å; D186-G192 PolarHBondContact OD1-N 2.9Å; D186-K254 WeakPolarHBondContact O-CA 3.35Å; D186-I255 PolarHBondContact N-O 2.84Å; D186-I255 PolarHBondContact O-N 2.83Å; D186-H257 IonicContact OD1-CD2 3.34Å; D186-H257 IonicContact OD2-CD2 3.62Å; D186-H257 IonicContact OD2-NE2 3.45Å; D186-H257 PolarHBondContact OD2-NE2 3.06Å; D186-H257 VanDerWaalsContact OD2-NE2 3.15Å
187T67.1Low66.7Low29 Ų2960.5 Ų60.518%0.17837%0.369CS..EExtended strand (participates in β ladder)trans-113.8152.9169.8490000108T189 T190 K254T187-T189 PolarHBondContact O-N 3.25Å; T187-T190 PolarHBondContact N-O 3.38Å; T187-T190 CarbonylContact O-C 3.48Å; T187-T190 PolarHBondContact O-N 2.82Å; T187-T190 PolarHBondContact OG1-N 2.98Å; T187-T190 PolarHBondContact OG1-O 3.13Å; T187-T190 PolarHBondContact OG1-OG1 2.75Å; T187-K254 HydrophobicContact CG2-CG 4.23Å
188D59.8Low65.3Low147 Ų14761.7 Ų61.779%0.78637%0.367SS*.THydrogen-bonded Turntrans-50.1-22-178.7-73.7-21.7000114.8
189T57.7Low64.1Low130 Ų13061.9 Ų61.980%0.79837%0.369SS*.THydrogen-bonded Turntrans-105.6-16.7179.648.70000115.3T187T187-T189 PolarHBondContact O-N 3.25Å
190T58.1Low63.1Low61 Ų6164.7 Ų64.737%0.37440%0.398SS..EExtended strand (participates in β ladder)trans-153.3119.4-174.323.30000111.6T187T187-T190 PolarHBondContact N-O 3.38Å; T187-T190 CarbonylContact O-C 3.48Å; T187-T190 PolarHBondContact O-N 2.82Å; T187-T190 PolarHBondContact OG1-N 2.98Å; T187-T190 PolarHBondContact OG1-O 3.13Å; T187-T190 PolarHBondContact OG1-OG1 2.75Å
191T52.9Low62.5Low117 Ų11767.4 Ų67.472%0.71842%0.415SS*.EExtended strand (participates in β ladder)trans-87136.4173.552.30000110.9D186D186-T191 WeakPolarHBondContact OD1-CA 2.92Å
192G57.6Low62.3Low43 Ų4360.8 Ų60.844%0.44339%0.385SS..EExtended strand (participates in β ladder)trans89.233.1166.500000116.6D186D186-G192 PolarHBondContact OD1-N 2.9Å
193Q60.3Low62.8Low78 Ų7861 Ų6136%0.36439%0.392SS..EExtended strand (participates in β ladder)trans-89.1137174.2-69-173.7-14.100111.5V185 I198V185-Q193 PolarHBondContact N-O 2.96Å; V185-Q193 PolarHBondContact O-N 3.12Å; V185-Q193 VanDerWaalsContact O-N 3.11Å; Q193-I198 HydrophobicContact CB-CD1 3.81Å
194S58Low63.5Low71 Ų7165 Ų6550%0.49741%0.41SS..EExtended strand (participates in β ladder)trans-68.5134.8177.7-52.60000111.5A197S194-A197 PolarHBondContact O-N 3.43Å; S194-A197 VanDerWaalsContact O-N 3.11Å
195V56.8Low64.1Low3 Ų367.6 Ų67.62%0.01842%0.419CS..G310 helixtrans-42.6-45.3177.9175.20000115.4L179 C183 V185 A197 I198 I199 I202 L256L179-V195 WeakPolarHBondContact O-CG2 3.38Å; C183-V195 HydrophobicContact CB-CG2 3.89Å; V185-V195 HydrophobicContact CG2-CB 4.37Å; V185-V195 HydrophobicContact CG2-CG2 3.55Å; V195-A197 PolarHBondContact O-N 2.91Å; V195-A197 VanDerWaalsContact O-N 3.15Å; V195-I198 PolarHBondContact O-N 3.22Å; V195-I199 PolarHBondContact O-N 3.43Å; V195-I202 HydrophobicContact CG1-CD1 4.07Å; V195-I202 HydrophobicContact CG1-CG1 4.28Å; V195-L256 HydrophobicContact CG2-CD1 4.48Å
196P55.3Low64.8Low71 Ų7168.6 Ų68.646%0.46143%0.425SS..G310 helixtrans-63.5-21.5-17617.9-29.7000114.5V180V180-P196 HydrophobicContact CG1-CB 4.13Å; V180-P196 HydrophobicContact CG1-CG 4.06Å; V180-P196 VanDerWaalsContact O-CD 3.3Å; V180-P196 WeakPolarHBondContact O-CD 3.46Å
197A51.5Low65.8Low88 Ų8866.7 Ų66.773%0.72742%0.415SS*.G310 helixtrans-77.6-20.4-179.500000113.6S194 V195S194-A197 PolarHBondContact O-N 3.43Å; S194-A197 VanDerWaalsContact O-N 3.11Å; V195-A197 PolarHBondContact O-N 2.91Å; V195-A197 VanDerWaalsContact O-N 3.15Å
198I55.8Low66.9Low55 Ų5567.5 Ų67.528%0.28242%0.416SS..THydrogen-bonded Turntrans-116.8-40.4-169-54175.6000112.7V185 Q193 V195V185-I198 HydrophobicContact CB-CD1 4.35Å; V185-I198 HydrophobicContact CG1-CD1 4.41Å; Q193-I198 HydrophobicContact CB-CD1 3.81Å; V195-I198 PolarHBondContact O-N 3.22Å
199I59.5Low68.3Low39 Ų3963.3 Ų63.320%0.239%0.394CS..THydrogen-bonded Turntrans-111.8-19.3-164-62.4172.9000112.7V195 T201 I202 L250V195-I199 PolarHBondContact O-N 3.43Å; I199-T201 PolarHBondContact O-N 2.86Å; I199-I202 HydrophobicContact CG2-CG1 4.26Å; I199-L250 HydrophobicContact CD1-CD1 4.48Å; I199-L250 HydrophobicContact CD1-CD2 4.3Å
200G63.1Low69.8Low59 Ų5957.1 Ų57.161%0.60836%0.356SS*.SBendtrans67.4-60.6179.300000113.6
201T68Low71.3Confident118 Ų11855.5 Ų55.572%0.72434%0.344SS*.SBendtrans-146.5126173.6-57.10000109.7I199I199-T201 PolarHBondContact O-N 2.86Å
202I75.8Confident73Confident7 Ų753.4 Ų53.44%0.03634%0.338CS..  trans-72134.7176.9-56.4173.9000108.7L179 V195 I199 T206 V207 L256L179-I202 HydrophobicContact CB-CD1 3.96Å; L179-I202 HydrophobicContact CD1-CD1 3.77Å; L179-I202 HydrophobicContact CG-CD1 4.47Å; V195-I202 HydrophobicContact CG1-CD1 4.07Å; V195-I202 HydrophobicContact CG1-CG1 4.28Å; I199-I202 HydrophobicContact CG2-CG1 4.26Å; I202-T206 HydrophobicContact CG2-CG2 4.07Å; I202-V207 HydrophobicContact CB-CG2 4.2Å; I202-V207 HydrophobicContact CG2-CG2 3.82Å; I202-L256 HydrophobicContact CD1-CD1 4.38Å
203P82.8Confident74.4Confident71 Ų7158 Ų5846%0.46134%0.342SS..  trans-58141.9175.8-22.232.1000112.4E205 T206 V207P203-E205 PolarHBondContact O-N 3.13Å; P203-T206 PolarHBondContact O-N 3.17Å; P203-T206 VanDerWaalsContact O-N 3.11Å; P203-V207 WeakPolarHBondContact O-CG2 3.34Å; P203-V207 PolarHBondContact O-N 2.76Å
204E82.6Confident75.6Confident85 Ų8554.4 Ų54.440%0.39733%0.326SS..Hα-helixtrans-58.4-32.1178.6-71.4-168.2-158.700112.7K53 Y143 V207 E208K53-E204 IonicContact NZ-OE1 3.21Å; K53-E204 PolarHBondContact NZ-OE1 2.88Å; K53-E204 IonicContact NZ-OE2 3.73Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å; Y143-E204 PolarHBondContact OH-OE2 2.83Å; Y143-E204 VanDerWaalsContact OH-OE2 3.07Å; E204-V207 PolarHBondContact O-N 2.8Å; E204-E208 WeakPolarHBondContact O-CB 3.29Å; E204-E208 PolarHBondContact O-N 2.96Å
205E84.8Confident76.9Confident106 Ų10651.2 Ų51.250%0.49530%0.303SS..Hα-helixtrans-62.1-42.6177.1-64-179.1-179.400111.9R44 P203 E208 D209R44-E205 IonicContact CZ-OE1 3.84Å; R44-E205 IonicContact NH2-OE1 3.53Å; R44-E205 PolarHBondContact NH2-OE1 3.38Å; R44-E205 IonicContact NH2-OE2 2.96Å; R44-E205 PolarHBondContact NH2-OE2 2.95Å; P203-E205 PolarHBondContact O-N 3.13Å; E205-E208 PolarHBondContact O-N 3.35Å; E205-D209 PolarHBondContact O-N 2.84Å; E205-D209 VanDerWaalsContact O-N 3.07Å
206T86.9Confident78.4Confident23 Ų2353.3 Ų53.314%0.14131%0.312CS..Hα-helixtrans-68.1-41.3177.8-480000111.1I202 P203 E208 D209 I210 Y248 L250I202-T206 HydrophobicContact CG2-CG2 4.07Å; P203-T206 PolarHBondContact O-N 3.17Å; P203-T206 VanDerWaalsContact O-N 3.11Å; T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 PolarHBondContact O-N 2.87Å; T206-D209 PolarHBondContact O-N 2.8Å; T206-I210 HydrophobicContact CG2-CD1 4.09Å; T206-I210 VanDerWaalsContact O-CG1 3.27Å; T206-I210 WeakPolarHBondContact O-CG1 3.42Å; T206-I210 PolarHBondContact O-N 3.07Å; T206-Y248 HydrophobicContact CG2-CE1 3.62Å; T206-L250 HydrophobicContact CG2-CD1 4.17Å; T206-L250 HydrophobicContact CG2-CG 4.19Å
207V88.4Confident80Confident0 Ų050.4 Ų50.40%029%0.293CS..Hα-helixtrans-62.4-40.1177.5179.50000110.7H172 L175 N176 I202 P203 E204 K211H172-V207 HydrophobicContact CB-CG1 4.13Å; L175-V207 HydrophobicContact CB-CG1 4.32Å; L175-V207 HydrophobicContact CD2-CG1 3.75Å; L175-V207 HydrophobicContact CG-CG1 4.21Å; N176-V207 WeakPolarHBondContact OD1-CG2 3.39Å; I202-V207 HydrophobicContact CB-CG2 4.2Å; I202-V207 HydrophobicContact CG2-CG2 3.82Å; P203-V207 WeakPolarHBondContact O-CG2 3.34Å; P203-V207 PolarHBondContact O-N 2.76Å; E204-V207 PolarHBondContact O-N 2.8Å; V207-K211 VanDerWaalsContact O-CB 3.31Å; V207-K211 WeakPolarHBondContact O-CB 3.45Å; V207-K211 PolarHBondContact O-N 3.14Å
208E88.6Confident81.8Confident45 Ų4546.4 Ų46.421%0.2126%0.26CS..Hα-helixtrans-64.3-42.1175.4174.2146.5-123.100112.3Y24 E204 E205 T206 K211 A212Y24-E208 WeakPolarHBondContact CE2-OE1 3.5Å; Y24-E208 WeakPolarHBondContact CE2-OE2 3.5Å; Y24-E208 PolarHBondContact OH-OE2 2.95Å; E204-E208 WeakPolarHBondContact O-CB 3.29Å; E204-E208 PolarHBondContact O-N 2.96Å; E205-E208 PolarHBondContact O-N 3.35Å; T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 PolarHBondContact O-N 2.87Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.93Å; E208-K211 IonicContact OE1-NZ 2.9Å; E208-K211 PolarHBondContact OE1-NZ 3.12Å; E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 2.77Å
209D89.8Confident83.5Confident60 Ų6048.2 Ų48.232%0.32127%0.27SS..Hα-helixtrans-68-41.1178.5-167.113.8000111.8E205 T206 K211 A212 R213 Y248E205-D209 PolarHBondContact O-N 2.84Å; E205-D209 VanDerWaalsContact O-N 3.07Å; T206-D209 PolarHBondContact O-N 2.8Å; D209-K211 VanDerWaalsContact C-N 3.34Å; D209-K211 PolarHBondContact O-N 2.64Å; D209-A212 PolarHBondContact O-N 2.85Å; D209-R213 VanDerWaalsContact CG-NE 3.27Å; D209-R213 WeakPolarHBondContact O-CB 3.33Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 2.83Å; D209-R213 WeakPolarHBondContact OD1-CD 3.37Å; D209-R213 IonicContact OD1-CZ 3.76Å; D209-R213 IonicContact OD1-NE 3.92Å; D209-R213 PolarHBondContact OD1-NE 3.14Å; D209-R213 IonicContact OD1-NH2 3.69Å; D209-R213 IonicContact OD2-CZ 2.65Å; D209-R213 IonicContact OD2-NE 2.68Å; D209-R213 PolarHBondContact OD2-NE 2.9Å; D209-R213 IonicContact OD2-NH2 3.15Å; D209-R213 PolarHBondContact OD2-NH2 3.14Å; D209-Y248 HydrophobicContact CB-CE2 4.49Å; D209-Y248 PolarHBondContact OD2-OH 2.69Å
210I88.8Confident84.9Confident0 Ų047.9 Ų47.90%027%0.268CS..Hα-helixtrans-57.4-48.1170.5-67.5166.2000110.1L175 L179 T206 A212 R213 T214 Y248 V258L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4.05Å; L179-I210 HydrophobicContact CD1-CD1 4.11Å; T206-I210 HydrophobicContact CG2-CD1 4.09Å; T206-I210 VanDerWaalsContact O-CG1 3.27Å; T206-I210 WeakPolarHBondContact O-CG1 3.42Å; T206-I210 PolarHBondContact O-N 3.07Å; I210-A212 VanDerWaalsContact C-N 3.34Å; I210-A212 PolarHBondContact O-N 2.91Å; I210-R213 PolarHBondContact O-N 3.45Å; I210-T214 HydrophobicContact CG2-CG2 4.25Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.23Å; I210-T214 WeakPolarHBondContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CG2 3.31Å; I210-T214 PolarHBondContact O-N 3.5Å; I210-T214 PolarHBondContact O-OG1 2.99Å; I210-Y248 HydrophobicContact CB-CE2 4.42Å; I210-Y248 HydrophobicContact CD1-CD1 4.27Å; I210-Y248 HydrophobicContact CD1-CE1 4.38Å; I210-Y248 HydrophobicContact CD1-CG 4.39Å; I210-Y248 HydrophobicContact CG1-CD1 4.07Å; I210-Y248 HydrophobicContact CG1-CD2 3.55Å; I210-Y248 HydrophobicContact CG1-CE1 4.08Å; I210-Y248 HydrophobicContact CG1-CE2 3.47Å; I210-Y248 VanDerWaalsContact CG1-CE2 3.47Å; I210-Y248 HydrophobicContact CG1-CG 3.84Å; I210-V258 HydrophobicContact CG2-CG2 4.39Å
211K90.1Very high86.1Confident27 Ų2752.7 Ų52.712%0.11728%0.275CS..Hα-helixtrans-58.4-45.4177.9173.6-163.171-166.60111.4I171 H172 L175 V207 E208 D209 C215 M267I171-K211 HydrophobicContact CG2-CD 3.93Å; I171-K211 HydrophobicContact CG2-CG 4.14Å; H172-K211 PolarHBondContact NE2-NZ 3.19Å; L175-K211 HydrophobicContact CD2-CB 4.23Å; V207-K211 VanDerWaalsContact O-CB 3.31Å; V207-K211 WeakPolarHBondContact O-CB 3.45Å; V207-K211 PolarHBondContact O-N 3.14Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.93Å; E208-K211 IonicContact OE1-NZ 2.9Å; E208-K211 PolarHBondContact OE1-NZ 3.12Å; D209-K211 VanDerWaalsContact C-N 3.34Å; D209-K211 PolarHBondContact O-N 2.64Å; K211-C215 WeakPolarHBondContact O-CB 3.39Å; K211-C215 PolarHBondContact O-N 3.17Å; K211-M267 HydrophobicContact CG-CE 4.24Å
212A89.1Confident86.9Confident72 Ų7250.2 Ų50.260%0.59525%0.252SS*.Hα-helixtrans-70.1-37-177.100000113.1E208 D209 I210E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 2.77Å; D209-A212 PolarHBondContact O-N 2.85Å; I210-A212 VanDerWaalsContact C-N 3.34Å; I210-A212 PolarHBondContact O-N 2.91Å
213R87.4Confident87.4Confident139 Ų13949.9 Ų49.953%0.52525%0.251SS..Hα-helixtrans-88.4-36.7-176.5-68.3-165.3-86.6158.4-14.2113.7D209 I210 Y248D209-R213 VanDerWaalsContact CG-NE 3.27Å; D209-R213 WeakPolarHBondContact O-CB 3.33Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 2.83Å; D209-R213 WeakPolarHBondContact OD1-CD 3.37Å; D209-R213 IonicContact OD1-CZ 3.76Å; D209-R213 IonicContact OD1-NE 3.92Å; D209-R213 PolarHBondContact OD1-NE 3.14Å; D209-R213 IonicContact OD1-NH2 3.69Å; D209-R213 IonicContact OD2-CZ 2.65Å; D209-R213 IonicContact OD2-NE 2.68Å; D209-R213 PolarHBondContact OD2-NE 2.9Å; D209-R213 IonicContact OD2-NH2 3.15Å; D209-R213 PolarHBondContact OD2-NH2 3.14Å; I210-R213 PolarHBondContact O-N 3.45Å; R213-Y248 PolarHBondContact NH2-OH 3.36Å
214T84.3Confident87.6Confident4 Ų449.4 Ų49.43%0.02524%0.244CC..Hα-helixtrans-105.1-38.6-168.174.30000112.5I210 V246 R263I210-T214 HydrophobicContact CG2-CG2 4.25Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.23Å; I210-T214 WeakPolarHBondContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CG2 3.31Å; I210-T214 PolarHBondContact O-N 3.5Å; I210-T214 PolarHBondContact O-OG1 2.99Å; T214-V246 HydrophobicContact CG2-CG1 4.1Å; T214-R263 PolarHBondContact O-NE 3.43Å; T214-R263 PolarHBondContact O-NH2 3.18Å
215C86.2Confident87.7Confident4 Ų450.7 Ų50.73%0.02725%0.249CC..  trans-76.1143.5-171.4-61.60000112.4K211 M267K211-C215 WeakPolarHBondContact O-CB 3.39Å; K211-C215 PolarHBondContact O-N 3.17Å; C215-M267 HydrophobicContact CB-CE 3.38Å; C215-M267 HydrophobicContact CB-CG 4.26Å; C215-M267 HydrophobicContact CB-SD 4.49Å
216F88.1Confident87.6Confident47 Ų4745.9 Ų45.921%0.20623%0.226CC..  trans-141.4155.4172.666-88.5000110P243 D264 M267 P314F216-P243 HydrophobicContact CE1-CB 3.95Å; F216-P243 HydrophobicContact CE1-CG 4Å; F216-P243 HydrophobicContact CZ-CB 3.77Å; F216-P243 HydrophobicContact CZ-CG 3.89Å; F216-D264 VanDerWaalsContact CE1-OD1 3.28Å; F216-D264 WeakPolarHBondContact CE1-OD1 3.26Å; F216-D264 VanDerWaalsContact CE2-OD1 3.29Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.28Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.46Å; F216-M267 WeakPolarHBondContact O-CG 3.32Å; F216-P314 HydrophobicContact CB-CG 3.87Å
217V89.3Confident87.4Confident9 Ų946.3 Ų46.36%0.05523%0.227CC..PPolyproline II helixtrans-87.4124.8179.7-176.10000109.1F271 L313 P314 F316 R319V217-F271 HydrophobicContact CG1-CE2 3.8Å; V217-F271 HydrophobicContact CG1-CZ 4.45Å; V217-L313 HydrophobicContact CG2-CB 3.91Å; V217-L313 HydrophobicContact CG2-CD1 4.39Å; V217-P314 WeakPolarHBondContact CB-O 3.16Å; V217-P314 PolarHBondContact N-O 3.41Å; V217-F316 HydrophobicContact CG2-CB 4.02Å; V217-F316 HydrophobicContact CG2-CD2 4.2Å; V217-R319 HydrophobicContact CG1-CB 3.54Å; V217-R319 HydrophobicContact CG1-CG 3.7Å
218S89.1Confident87.2Confident4 Ų451.7 Ų51.73%0.02825%0.251CS..PPolyproline II helixtrans-74.7150.9176.6-77.70000112.3R319S218-R319 VanDerWaalsContact O-CD 3.28Å; S218-R319 WeakPolarHBondContact O-CD 3.47Å; S218-R319 PolarHBondContact O-NH1 3.2Å
219D90.5Very high86.7Confident93 Ų9350.9 Ų50.950%0.49725%0.253SS..PPolyproline II helixtrans-64.4157.8172.7-69.9-41.2000112.6Q221 R222 G223 H318D219-Q221 PolarHBondContact O-N 3.44Å; D219-R222 PolarHBondContact O-N 3.07Å; D219-R222 VanDerWaalsContact O-N 3.08Å; D219-G223 PolarHBondContact O-N 3.35Å; D219-H318 IonicContact OD1-CE1 3.7Å; D219-H318 IonicContact OD1-ND1 3.33Å; D219-H318 PolarHBondContact OD1-ND1 2.95Å
220L89Confident86.1Confident32 Ų3252 Ų5217%0.16826%0.255CS..Hα-helixtrans-51.9-51-178177.666.3000113.1R222 G223 L224 A322 E323 L326L220-R222 PolarHBondContact O-N 3.47Å; L220-G223 PolarHBondContact O-N 3.47Å; L220-L224 HydrophobicContact CD1-CD1 4.44Å; L220-L224 HydrophobicContact CD1-CG 4.45Å; L220-L224 HydrophobicContact CG-CD1 4.35Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.34Å; L220-A322 HydrophobicContact CB-CB 4.08Å; L220-A322 HydrophobicContact CD2-CB 4.11Å; L220-E323 VanDerWaalsContact CD1-CD 3.44Å; L220-E323 WeakPolarHBondContact CD1-OE1 3.46Å; L220-E323 WeakPolarHBondContact CD1-OE2 3.42Å; L220-L326 HydrophobicContact CD1-CD2 4.07Å; L220-L326 HydrophobicContact CD2-CB 4.33Å; L220-L326 HydrophobicContact CD2-CD2 4.27Å
221Q88.1Confident85.3Confident161 Ų16158.7 Ų58.775%0.75228%0.284SS*.Hα-helixtrans-61.9-34.3-178.5-67.5-179.4-18.900112.5D219 K225D219-Q221 PolarHBondContact O-N 3.44Å; Q221-K225 WeakPolarHBondContact O-CG 3.26Å; Q221-K225 PolarHBondContact O-N 2.94Å
222R86.1Confident84.4Confident65 Ų6560.6 Ų60.625%0.24530%0.296CS..Hα-helixtrans-74.8-42177.3-171.3177.9-174.4167.41.5110.7D219 L220 L224 K225 I226 P240 A241 P243 D264D219-R222 PolarHBondContact O-N 3.07Å; D219-R222 VanDerWaalsContact O-N 3.08Å; L220-R222 PolarHBondContact O-N 3.47Å; R222-L224 PolarHBondContact O-N 3.09Å; R222-K225 PolarHBondContact O-N 2.87Å; R222-I226 HydrophobicContact CG-CD1 4.03Å; R222-I226 VanDerWaalsContact O-CG1 3.29Å; R222-I226 WeakPolarHBondContact O-CG1 3.48Å; R222-I226 PolarHBondContact O-N 3.02Å; R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.07Å; R222-A241 PolarHBondContact NH2-O 3.3Å; R222-P243 VanDerWaalsContact NH2-CD 3.31Å; R222-D264 IonicContact CZ-OD2 2.69Å; R222-D264 IonicContact NE-OD2 2.7Å; R222-D264 PolarHBondContact NE-OD2 3.03Å; R222-D264 IonicContact NH1-OD2 3.88Å; R222-D264 IonicContact NH2-OD2 3.5Å; R222-D264 PolarHBondContact NH2-OD2 2.92Å
223G85.3Confident82.8Confident0 Ų065.4 Ų65.40%031%0.31CS..Hα-helixtrans-56.3-48175.300000112.1D219 L220 K225 I226 Q227 E268D219-G223 PolarHBondContact O-N 3.35Å; L220-G223 PolarHBondContact O-N 3.47Å; G223-K225 PolarHBondContact O-N 3.06Å; G223-I226 WeakPolarHBondContact O-CB 3.21Å; G223-I226 PolarHBondContact O-N 2.79Å; G223-Q227 WeakPolarHBondContact O-CG 3.18Å; G223-Q227 PolarHBondContact O-N 3.22Å; G223-E268 VanDerWaalsContact CA-OE2 3.31Å; G223-E268 WeakPolarHBondContact CA-OE2 3.27Å
224L86.3Confident81.1Confident62 Ų6265.4 Ų65.433%0.32532%0.321SS..Hα-helixtrans-58.1-44.8176.9-68.5172.4000112.5L220 R222 I226 Q227 E228L220-L224 HydrophobicContact CD1-CD1 4.44Å; L220-L224 HydrophobicContact CD1-CG 4.45Å; L220-L224 HydrophobicContact CG-CD1 4.35Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.34Å; R222-L224 PolarHBondContact O-N 3.09Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.25Å; L224-Q227 PolarHBondContact O-N 3.42Å; L224-E228 WeakPolarHBondContact O-CG 3.36Å; L224-E228 PolarHBondContact O-N 3.21Å
225K86Confident79.8Confident112 Ų11268.7 Ų68.749%0.48736%0.355SS..Hα-helixtrans-63.6-35.8175.6-69.7178.5179.6-1740112.8Q221 R222 G223 A229 P240Q221-K225 WeakPolarHBondContact O-CG 3.26Å; Q221-K225 PolarHBondContact O-N 2.94Å; R222-K225 PolarHBondContact O-N 2.87Å; G223-K225 PolarHBondContact O-N 3.06Å; K225-A229 VanDerWaalsContact O-CB 3.29Å; K225-A229 WeakPolarHBondContact O-CB 3.37Å; K225-A229 PolarHBondContact O-N 3.13Å; K225-P240 HydrophobicContact CB-CG 4.19Å
226I83.2Confident78.5Confident4 Ų473.9 Ų73.92%0.02139%0.387CS..Hα-helixtrans-67.3-43175.9-68.1164.5000110.1R222 G223 L224 A229 K230 P240 D264 E268R222-I226 HydrophobicContact CG-CD1 4.03Å; R222-I226 VanDerWaalsContact O-CG1 3.29Å; R222-I226 WeakPolarHBondContact O-CG1 3.48Å; R222-I226 PolarHBondContact O-N 3.02Å; G223-I226 WeakPolarHBondContact O-CB 3.21Å; G223-I226 PolarHBondContact O-N 2.79Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.25Å; I226-A229 PolarHBondContact O-N 3.17Å; I226-K230 WeakPolarHBondContact O-CG 3.45Å; I226-K230 PolarHBondContact O-N 3.46Å; I226-P240 HydrophobicContact CG1-CG 4.1Å; I226-D264 HydrophobicContact CD1-CB 4.03Å; I226-E268 HydrophobicContact CG2-CG 4.37Å
227Q82.8Confident77.2Confident33 Ų3373.3 Ų73.315%0.15439%0.391CS..Hα-helixtrans-62-48.7175.8-68.3176.7200110.7G223 L224 A229 K230 F231 E268G223-Q227 WeakPolarHBondContact O-CG 3.18Å; G223-Q227 PolarHBondContact O-N 3.22Å; L224-Q227 PolarHBondContact O-N 3.42Å; Q227-A229 VanDerWaalsContact C-N 3.3Å; Q227-A229 PolarHBondContact O-N 3.18Å; Q227-K230 WeakPolarHBondContact O-CB 3.39Å; Q227-K230 PolarHBondContact O-N 3.26Å; Q227-F231 WeakPolarHBondContact O-CD2 3.35Å; Q227-F231 PolarHBondContact O-N 3.24Å; Q227-E268 HydrophobicContact CG-CG 4.02Å; Q227-E268 PolarHBondContact NE2-OE1 2.94Å
228E82.3Confident76Confident112 Ų11281.5 Ų81.552%0.52343%0.428SS..Hα-helixtrans-54.9-47.1174-72.6171.6-178.600111L224 K230 F231 N232L224-E228 WeakPolarHBondContact O-CG 3.36Å; L224-E228 PolarHBondContact O-N 3.21Å; E228-K230 VanDerWaalsContact C-N 3.3Å; E228-K230 PolarHBondContact O-N 3.1Å; E228-F231 PolarHBondContact O-N 3.22Å; E228-N232 WeakPolarHBondContact O-CB 3.45Å; E228-N232 PolarHBondContact O-N 3.39Å; E228-N232 PolarHBondContact O-ND2 3.39Å
229A79.9Confident74.9Confident29 Ų2986.8 Ų86.824%0.2445%0.448CS..Hα-helixtrans-63.1-30.9177.800000113.8K225 I226 Q227K225-A229 VanDerWaalsContact O-CB 3.29Å; K225-A229 WeakPolarHBondContact O-CB 3.37Å; K225-A229 PolarHBondContact O-N 3.13Å; I226-A229 PolarHBondContact O-N 3.17Å; Q227-A229 VanDerWaalsContact C-N 3.3Å; Q227-A229 PolarHBondContact O-N 3.18Å
230K77.1Confident74Confident82 Ų8283.7 Ų83.736%0.35743%0.433SS..Hα-helixtrans-69.3-38.4175.3-75.9-175.2-176.4-175.50112.4I226 Q227 E228 E272I226-K230 WeakPolarHBondContact O-CG 3.45Å; I226-K230 PolarHBondContact O-N 3.46Å; Q227-K230 WeakPolarHBondContact O-CB 3.39Å; Q227-K230 PolarHBondContact O-N 3.26Å; E228-K230 VanDerWaalsContact C-N 3.3Å; E228-K230 PolarHBondContact O-N 3.1Å; K230-E272 IonicContact NZ-OE2 3.66Å; K230-E272 PolarHBondContact NZ-OE2 3.43Å
231F71Confident73.3Confident141 Ų14186.1 Ų86.162%0.61846%0.457SS*.Hα-helixtrans-95.1-5.4-173.6-68.2-71.6000114.4Q227 E228 L233 E272Q227-F231 WeakPolarHBondContact O-CD2 3.35Å; Q227-F231 PolarHBondContact O-N 3.24Å; E228-F231 PolarHBondContact O-N 3.22Å; F231-L233 PolarHBondContact O-N 3.36Å; F231-E272 WeakPolarHBondContact CE2-OE1 3.42Å; F231-E272 WeakPolarHBondContact CZ-OE1 3.44Å
232N70.6Confident72.6Confident68 Ų6882.3 Ų82.336%0.36445%0.447SS..  trans-79.2109179.7-83.9-42.9000112.4E228 A237E228-N232 WeakPolarHBondContact O-CB 3.45Å; E228-N232 PolarHBondContact O-N 3.39Å; E228-N232 PolarHBondContact O-ND2 3.39Å; N232-A237 HydrophobicContact CB-CB 4.48Å; N232-A237 WeakPolarHBondContact ND2-CB 3.41Å
233L55.8Low72.2Confident172 Ų17279.9 Ų79.990%0.90144%0.439SS*.SBendtrans-76.8-22.4168.8-76.9114.5000113.2F231F231-L233 PolarHBondContact O-N 3.36Å
234D52.7Low72.1Confident140 Ų14084.7 Ų84.775%0.74947%0.47SS*.SBendtrans-92.50.9-169.5-68.6-31.5000114.6T236D234-T236 PolarHBondContact O-N 2.92Å
235G57.7Low72.1Confident72 Ų7286.6 Ų86.674%0.74248%0.481SS*.SBendtrans68.212.3173.500000116.2
236T58.8Low72Confident113 Ų11383.6 Ų83.669%0.69347%0.472SS*.  trans-89.7-17.6-174.148.90000114.9D234D234-T236 PolarHBondContact O-N 2.92Å
237A60.4Low72.1Confident35 Ų3587.7 Ų87.729%0.28949%0.494SS..SBendtrans-91.4116.7176.400000111.7N232 R239N232-A237 HydrophobicContact CB-CB 4.48Å; N232-A237 WeakPolarHBondContact ND2-CB 3.41Å; A237-R239 PolarHBondContact O-N 3.01Å
238E62.6Low72.1Confident181 Ų18186.7 Ų86.785%0.84649%0.489SS*.PPolyproline II helixtrans-71.1122.6171.4-69.1-176.616800110.1
239R67.1Low72.2Confident115 Ų11584.6 Ų84.643%0.43449%0.485SS..PPolyproline II helixtrans-59.8132.2169.3-164.8173.1-173.7163.20.3107.8A237 S261 S265A237-R239 PolarHBondContact O-N 3.01Å; R239-S261 PolarHBondContact NH2-O 3.21Å; R239-S265 PolarHBondContact NH2-OG 3.08Å
240P71.8Confident72Confident29 Ų2984.6 Ų84.619%0.18848%0.481CS..PPolyproline II helixtrans-57.3150.9175.722.1-30.9000110R222 K225 I226 P242R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.07Å; K225-P240 HydrophobicContact CB-CG 4.19Å; I226-P240 HydrophobicContact CG1-CG 4.1Å; P240-P242 VanDerWaalsContact O-N 3.16Å
241A73.4Confident71.8Confident82 Ų8286.7 Ų86.768%0.67850%0.496SS*.PPolyproline II helixtrans-47.6124.7-179.400000110.3R222R222-A241 PolarHBondContact NH2-O 3.3Å
242P73.9Confident71.5Confident81 Ų8183.4 Ų83.453%0.52650%0.501SS..PPolyproline II helixtrans-65.3149.8-178.126.8-33000109.4P240P240-P242 VanDerWaalsContact O-N 3.16Å
243P77.8Confident71.6Confident14 Ų1486.8 Ų86.89%0.09152%0.515CS..PPolyproline II helixtrans-67.8167.2170.432.9-29.8000109.3F216 R222 D245 G260 D264F216-P243 HydrophobicContact CE1-CB 3.95Å; F216-P243 HydrophobicContact CE1-CG 4Å; F216-P243 HydrophobicContact CZ-CB 3.77Å; F216-P243 HydrophobicContact CZ-CG 3.89Å; R222-P243 VanDerWaalsContact NH2-CD 3.31Å; P243-D245 PolarHBondContact O-N 2.89Å; P243-G260 VanDerWaalsContact CD-C 3.45Å; P243-G260 WeakPolarHBondContact CD-O 3.46Å; P243-G260 WeakPolarHBondContact CG-O 3.31Å; P243-G260 WeakPolarHBondContact O-CA 3.44Å; P243-D264 WeakPolarHBondContact CD-OD2 3.43Å; P243-D264 WeakPolarHBondContact CG-OD2 3.27Å
244P83.8Confident72.6Confident101 Ų10181.5 Ų81.566%0.65649%0.485SS*.PPolyproline II helixtrans-60.1141.3179.724.9-34.8000111.3R263P244-R263 PolarHBondContact O-NH1 3.36Å
245D85Confident74.1Confident103 Ų10378.4 Ų78.455%0.55147%0.468SS*.PPolyproline II helixtrans-66.4148.8170.7-56.9-34.7000109.7P243 V258 Q259 G260P243-D245 PolarHBondContact O-N 2.89Å; D245-V258 WeakPolarHBondContact CA-O 3.03Å; D245-Q259 VanDerWaalsContact OD1-CA 3.27Å; D245-Q259 WeakPolarHBondContact OD1-CA 3.38Å; D245-G260 PolarHBondContact OD1-N 2.6Å
246V84.7Confident75.2Confident49 Ų4975 Ų7530%0.29743%0.432SS..EExtended strand (participates in β ladder)trans-130.7129.9-178.31750000110T214 V258T214-V246 HydrophobicContact CG2-CG1 4.1Å; V246-V258 PolarHBondContact N-O 3.21Å; V246-V258 WeakPolarHBondContact O-CA 3.44Å; V246-V258 WeakPolarHBondContact O-CB 3.43Å; V246-V258 PolarHBondContact O-N 3.29Å
247D84.8Confident76.4Confident90 Ų9071.7 Ų71.748%0.48141%0.409SS..EExtended strand (participates in β ladder)trans-89.3123178.9-57.8-11000109.2I255 H257D247-I255 HydrophobicContact CB-CG2 3.81Å; D247-H257 IonicContact OD1-CE1 3.92Å; D247-H257 PolarHBondContact OD1-CE1 3.36Å; D247-H257 IonicContact OD1-CG 2.9Å; D247-H257 IonicContact OD1-ND1 2.75Å; D247-H257 PolarHBondContact OD1-ND1 2.84Å; D247-H257 IonicContact OD2-CE1 2.63Å; D247-H257 PolarHBondContact OD2-CE1 2.99Å; D247-H257 IonicContact OD2-ND1 3.02Å
248Y83.9Confident77.5Confident12 Ų1270 Ų705%0.04740%0.395CS..EExtended strand (participates in β ladder)trans-109.4116.2-178.9-176.5-84.2000110.1T206 D209 I210 R213 L250 L256T206-Y248 HydrophobicContact CG2-CE1 3.62Å; D209-Y248 HydrophobicContact CB-CE2 4.49Å; D209-Y248 PolarHBondContact OD2-OH 2.69Å; I210-Y248 HydrophobicContact CB-CE2 4.42Å; I210-Y248 HydrophobicContact CD1-CD1 4.27Å; I210-Y248 HydrophobicContact CD1-CE1 4.38Å; I210-Y248 HydrophobicContact CD1-CG 4.39Å; I210-Y248 HydrophobicContact CG1-CD1 4.07Å; I210-Y248 HydrophobicContact CG1-CD2 3.55Å; I210-Y248 HydrophobicContact CG1-CE1 4.08Å; I210-Y248 HydrophobicContact CG1-CE2 3.47Å; I210-Y248 VanDerWaalsContact CG1-CE2 3.47Å; I210-Y248 HydrophobicContact CG1-CG 3.84Å; R213-Y248 PolarHBondContact NH2-OH 3.36Å; Y248-L250 PolarHBondContact O-N 2.86Å; Y248-L256 PolarHBondContact N-O 3.42Å; Y248-L256 WeakPolarHBondContact O-CB 3.36Å; Y248-L256 PolarHBondContact O-N 3.4Å
249P84.3Confident78.4Confident68 Ų6864.9 Ų64.944%0.44237%0.371SS..EExtended strand (participates in β ladder)trans-76.5121.9174.829.8-31.9000109.9
250L75.6Confident79.2Confident28 Ų2859.4 Ų59.415%0.14735%0.35CS..SBendtrans-84.4-58.3-176.4-143.8123.2000111.6I199 T206 Y248 K254 L256I199-L250 HydrophobicContact CD1-CD1 4.48Å; I199-L250 HydrophobicContact CD1-CD2 4.3Å; T206-L250 HydrophobicContact CG2-CD1 4.17Å; T206-L250 HydrophobicContact CG2-CG 4.19Å; Y248-L250 PolarHBondContact O-N 2.86Å; L250-K254 HydrophobicContact CB-CB 4.29Å; L250-K254 PolarHBondContact N-O 2.92Å; L250-L256 HydrophobicContact CD1-CB 4.29Å; L250-L256 HydrophobicContact CD1-CD1 3.77Å
251D71.6Confident79.8Confident127 Ų12759 Ų5968%0.67935%0.348SS*.SBendtrans-136.627.6-178.4-69.9-44.6000112.3E253D251-E253 PolarHBondContact O-N 2.77Å
252G65.5Low80.3Confident71 Ų7155.1 Ų55.173%0.73232%0.316SS*.SBendtrans78.6-26.7-179.100000115.2
253E71.9Confident80.7Confident139 Ų13952.6 Ų52.665%0.6530%0.296SS*.SBendtrans-103.3-12.3176.8-62.8-179.3172.900113.6D251D251-E253 PolarHBondContact O-N 2.77Å
254K78.3Confident80.9Confident61 Ų6152.2 Ų52.227%0.26529%0.294SS..EExtended strand (participates in β ladder)trans-123.8124.8-178.1-61.9178.2-171.4169.30109.7V185 D186 T187 L250V185-K254 HydrophobicContact CG1-CB 4.24Å; D186-K254 WeakPolarHBondContact O-CA 3.35Å; T187-K254 HydrophobicContact CG2-CG 4.23Å; L250-K254 HydrophobicContact CB-CB 4.29Å; L250-K254 PolarHBondContact N-O 2.92Å
255I82.5Confident81Confident75 Ų7547.7 Ų47.739%0.38526%0.264SS..EExtended strand (participates in β ladder)trans-108127.2174.8-59.6175.4000108D186 D247D186-I255 PolarHBondContact N-O 2.84Å; D186-I255 PolarHBondContact O-N 2.83Å; D247-I255 HydrophobicContact CB-CG2 3.81Å
256L81.9Confident81.1Confident0 Ų042.8 Ų42.80%024%0.238CC..EExtended strand (participates in β ladder)trans-104.3115.6179.4-177148.2000108.3L179 C183 V195 I202 Y248 L250 V258L179-L256 HydrophobicContact CD2-CD2 4.03Å; C183-L256 WeakPolarHBondContact SG-CD2 3.43Å; C183-L256 WeakPolarHBondContact SG-CG 3.45Å; V195-L256 HydrophobicContact CG2-CD1 4.48Å; I202-L256 HydrophobicContact CD1-CD1 4.38Å; Y248-L256 PolarHBondContact N-O 3.42Å; Y248-L256 WeakPolarHBondContact O-CB 3.36Å; Y248-L256 PolarHBondContact O-N 3.4Å; L250-L256 HydrophobicContact CD1-CB 4.29Å; L250-L256 HydrophobicContact CD1-CD1 3.77Å; L256-V258 HydrophobicContact CD2-CB 4.43Å; L256-V258 HydrophobicContact CD2-CG2 3.24Å; L256-V258 PolarHBondContact O-N 3.06Å
257H83.4Confident81.3Confident44 Ų4440.5 Ų40.520%0.20422%0.224CC..EExtended strand (participates in β ladder)trans-86.597.1-178.6-69.1-72.6000110.4C183 T184 D186 D247 Q259C183-H257 PolarHBondContact SG-O 3.26Å; T184-H257 PolarHBondContact O-N 3.35Å; D186-H257 IonicContact OD1-CD2 3.34Å; D186-H257 IonicContact OD2-CD2 3.62Å; D186-H257 IonicContact OD2-NE2 3.45Å; D186-H257 PolarHBondContact OD2-NE2 3.06Å; D186-H257 VanDerWaalsContact OD2-NE2 3.15Å; D247-H257 IonicContact OD1-CE1 3.92Å; D247-H257 PolarHBondContact OD1-CE1 3.36Å; D247-H257 IonicContact OD1-CG 2.9Å; D247-H257 IonicContact OD1-ND1 2.75Å; D247-H257 PolarHBondContact OD1-ND1 2.84Å; D247-H257 IonicContact OD2-CE1 2.63Å; D247-H257 PolarHBondContact OD2-CE1 2.99Å; D247-H257 IonicContact OD2-ND1 3.02Å; H257-Q259 PolarHBondContact O-N 3.48Å
258V82.9Confident81.5Confident0 Ų036.3 Ų36.30%020%0.201CC..EExtended strand (participates in β ladder)trans-81.1113.1178.5-172.70000109.4I210 D245 V246 L256 R263I210-V258 HydrophobicContact CG2-CG2 4.39Å; D245-V258 WeakPolarHBondContact CA-O 3.03Å; V246-V258 PolarHBondContact N-O 3.21Å; V246-V258 WeakPolarHBondContact O-CA 3.44Å; V246-V258 WeakPolarHBondContact O-CB 3.43Å; V246-V258 PolarHBondContact O-N 3.29Å; L256-V258 HydrophobicContact CD2-CB 4.43Å; L256-V258 HydrophobicContact CD2-CG2 3.24Å; L256-V258 PolarHBondContact O-N 3.06Å; V258-R263 HydrophobicContact CG1-CG 3.88Å
259Q83.4Confident81.8Confident73 Ų7336.6 Ų36.634%0.34120%0.204SC..  trans-65.9141.8175.3-64.6-175.77.300111.8Q182 D245 H257 S261 I262Q182-Q259 PolarHBondContact O-NE2 3.27Å; D245-Q259 VanDerWaalsContact OD1-CA 3.27Å; D245-Q259 WeakPolarHBondContact OD1-CA 3.38Å; H257-Q259 PolarHBondContact O-N 3.48Å; Q259-S261 PolarHBondContact O-N 3.11Å; Q259-I262 HydrophobicContact CB-CD1 4.06Å; Q259-I262 HydrophobicContact CB-CG1 4.19Å; Q259-I262 WeakPolarHBondContact O-CB 3.5Å; Q259-I262 PolarHBondContact O-N 3.24Å; Q259-I262 VanDerWaalsContact O-N 3.11Å
260G83.2Confident82Confident0 Ų033.5 Ų33.50%018%0.183CC..Hα-helixtrans-57-37.6175.800000113.2P243 D245 I262 R263 D264P243-G260 VanDerWaalsContact CD-C 3.45Å; P243-G260 WeakPolarHBondContact CD-O 3.46Å; P243-G260 WeakPolarHBondContact CG-O 3.31Å; P243-G260 WeakPolarHBondContact O-CA 3.44Å; D245-G260 PolarHBondContact OD1-N 2.6Å; G260-I262 PolarHBondContact O-N 2.88Å; G260-R263 PolarHBondContact O-N 3.17Å; G260-D264 PolarHBondContact O-N 2.77Å
261S83.4Confident82.7Confident21 Ų2132.1 Ų32.115%0.14718%0.176CC..Hα-helixtrans-55.5-36.4176.7-75.40000113.5R239 Q259 S265R239-S261 PolarHBondContact NH2-O 3.21Å; Q259-S261 PolarHBondContact O-N 3.11Å; S261-S265 WeakPolarHBondContact O-CB 3.34Å; S261-S265 PolarHBondContact O-N 2.77Å; S261-S265 PolarHBondContact O-OG 3.15Å
262I84Confident83.4Confident1 Ų127.7 Ų27.71%0.00515%0.152CC..Hα-helixtrans-70.1-43.9-179.5-60.5170.7000109.9L175 F178 Q182 Q259 G260 D264 S265 V266L175-I262 HydrophobicContact CD1-CG2 3.97Å; F178-I262 HydrophobicContact CB-CB 4.48Å; F178-I262 HydrophobicContact CB-CD1 4.44Å; F178-I262 HydrophobicContact CB-CG1 4.2Å; F178-I262 HydrophobicContact CB-CG2 3.61Å; F178-I262 HydrophobicContact CD2-CG2 4.44Å; F178-I262 HydrophobicContact CG-CG2 4.26Å; Q182-I262 HydrophobicContact CB-CD1 3.92Å; Q182-I262 HydrophobicContact CB-CG1 4.46Å; Q259-I262 HydrophobicContact CB-CD1 4.06Å; Q259-I262 HydrophobicContact CB-CG1 4.19Å; Q259-I262 WeakPolarHBondContact O-CB 3.5Å; Q259-I262 PolarHBondContact O-N 3.24Å; Q259-I262 VanDerWaalsContact O-N 3.11Å; G260-I262 PolarHBondContact O-N 2.88Å; I262-D264 PolarHBondContact O-N 2.95Å; I262-S265 PolarHBondContact O-N 3.5Å; I262-V266 HydrophobicContact CG2-CG2 3.84Å; I262-V266 WeakPolarHBondContact O-CB 3.32Å; I262-V266 WeakPolarHBondContact O-CG2 3.37Å; I262-V266 PolarHBondContact O-N 3.41Å
263R82.9Confident84.1Confident28 Ų2827.1 Ų27.111%0.10613%0.13CC..Hα-helixtrans-59.5-36.7-175.2-62.8167.657.1-163.74112.3T214 P244 V258 G260T214-R263 PolarHBondContact O-NE 3.43Å; T214-R263 PolarHBondContact O-NH2 3.18Å; P244-R263 PolarHBondContact O-NH1 3.36Å; V258-R263 HydrophobicContact CG1-CG 3.88Å; G260-R263 PolarHBondContact O-N 3.17Å
264D82.5Confident84.4Confident6 Ų624.8 Ų24.83%0.03212%0.122CC..Hα-helixtrans-79.6-45.7177.1-67.3-5.3000111.9F216 R222 I226 P243 G260 I262 V266 M267 E268F216-D264 VanDerWaalsContact CE1-OD1 3.28Å; F216-D264 WeakPolarHBondContact CE1-OD1 3.26Å; F216-D264 VanDerWaalsContact CE2-OD1 3.29Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.28Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.46Å; R222-D264 IonicContact CZ-OD2 2.69Å; R222-D264 IonicContact NE-OD2 2.7Å; R222-D264 PolarHBondContact NE-OD2 3.03Å; R222-D264 IonicContact NH1-OD2 3.88Å; R222-D264 IonicContact NH2-OD2 3.5Å; R222-D264 PolarHBondContact NH2-OD2 2.92Å; I226-D264 HydrophobicContact CD1-CB 4.03Å; P243-D264 WeakPolarHBondContact CD-OD2 3.43Å; P243-D264 WeakPolarHBondContact CG-OD2 3.27Å; G260-D264 PolarHBondContact O-N 2.77Å; I262-D264 PolarHBondContact O-N 2.95Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.04Å; D264-M267 PolarHBondContact O-N 3.26Å; D264-E268 PolarHBondContact O-N 3.19Å
265S84.7Confident84.4Confident5 Ų530.5 Ų30.54%0.03516%0.155CC..Hα-helixtrans-68.7-31.6-173.7-73.10000113.6R239 S261 I262 M267 E268R239-S265 PolarHBondContact NH2-OG 3.08Å; S261-S265 WeakPolarHBondContact O-CB 3.34Å; S261-S265 PolarHBondContact O-N 2.77Å; S261-S265 PolarHBondContact O-OG 3.15Å; I262-S265 PolarHBondContact O-N 3.5Å; S265-M267 VanDerWaalsContact C-N 3.31Å; S265-M267 PolarHBondContact O-N 2.97Å; S265-E268 PolarHBondContact O-N 2.7Å
266V88.7Confident84.1Confident0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-63.6-37.9176.7171.10000111.4I171 L175 F178 I262 D264 E268 I269I171-V266 HydrophobicContact CG2-CG1 3.82Å; L175-V266 HydrophobicContact CB-CG1 4.14Å; L175-V266 HydrophobicContact CB-CG2 4.25Å; L175-V266 HydrophobicContact CD1-CG2 3.9Å; F178-V266 HydrophobicContact CD2-CG2 3.51Å; F178-V266 HydrophobicContact CE2-CG2 4.02Å; I262-V266 HydrophobicContact CG2-CG2 3.84Å; I262-V266 WeakPolarHBondContact O-CB 3.32Å; I262-V266 WeakPolarHBondContact O-CG2 3.37Å; I262-V266 PolarHBondContact O-N 3.41Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.04Å; V266-E268 VanDerWaalsContact C-N 3.31Å; V266-I269 WeakPolarHBondContact O-CD1 3.46Å; V266-I269 VanDerWaalsContact O-CG1 3.24Å; V266-I269 WeakPolarHBondContact O-CG1 3.4Å
267M88.2Confident84Confident2 Ų237.7 Ų37.71%0.0119%0.187CC..Hα-helixtrans-78.9-19.2-178.1-67.1-57.814400112.9I171 K211 C215 F216 D264 S265 I269 L270 L313I171-M267 HydrophobicContact CD1-CE 4.29Å; I171-M267 HydrophobicContact CD1-SD 4.2Å; I171-M267 HydrophobicContact CG2-CE 3.6Å; K211-M267 HydrophobicContact CG-CE 4.24Å; C215-M267 HydrophobicContact CB-CE 3.38Å; C215-M267 HydrophobicContact CB-CG 4.26Å; C215-M267 HydrophobicContact CB-SD 4.49Å; F216-M267 WeakPolarHBondContact O-CG 3.32Å; D264-M267 PolarHBondContact O-N 3.26Å; S265-M267 VanDerWaalsContact C-N 3.31Å; S265-M267 PolarHBondContact O-N 2.97Å; M267-I269 PolarHBondContact O-N 3.05Å; M267-L270 PolarHBondContact O-N 2.95Å; M267-L313 HydrophobicContact CE-CD1 4.16Å; M267-L313 HydrophobicContact SD-CD1 3.5Å; M267-L313 VanDerWaalsContact SD-CD1 3.5Å
268E89.4Confident84.1Confident1 Ų138.9 Ų38.91%0.00519%0.192CC..Hα-helixtrans-67.6-26.4-179.2-163.654.4-145.700112.4G223 I226 Q227 D264 S265 V266 L270 F271 E272 R319G223-E268 VanDerWaalsContact CA-OE2 3.31Å; G223-E268 WeakPolarHBondContact CA-OE2 3.27Å; I226-E268 HydrophobicContact CG2-CG 4.37Å; Q227-E268 HydrophobicContact CG-CG 4.02Å; Q227-E268 PolarHBondContact NE2-OE1 2.94Å; D264-E268 PolarHBondContact O-N 3.19Å; S265-E268 PolarHBondContact O-N 2.7Å; V266-E268 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 3.44Å; E268-F271 CarbonylContact O-C 3.51Å; E268-F271 PolarHBondContact O-N 3.4Å; E268-E272 WeakPolarHBondContact O-CB 3.42Å; E268-E272 PolarHBondContact O-N 3.32Å; E268-R319 IonicContact OE1-CZ 2.79Å; E268-R319 IonicContact OE1-NH1 3.39Å; E268-R319 IonicContact OE1-NH2 3.76Å; E268-R319 PolarHBondContact OE1-NH2 3.37Å; E268-R319 IonicContact OE2-CZ 3.74Å; E268-R319 IonicContact OE2-NH1 3.28Å; E268-R319 PolarHBondContact OE2-NH1 3.4Å; E268-R319 IonicContact OE2-NH2 2.68Å; E268-R319 PolarHBondContact OE2-NH2 2.97Å
269I88.8Confident84.5Confident19 Ų1938.9 Ų38.910%0.09719%0.192CC..THydrogen-bonded Turntrans-57.9-22.8178.776.6-175.1000113.5A170 I171 E174 V266 M267A170-I269 HydrophobicContact CB-CD1 4.43Å; I171-I269 HydrophobicContact CG1-CD1 4.07Å; E174-I269 HydrophobicContact CB-CD1 3.99Å; E174-I269 HydrophobicContact CG-CD1 3.61Å; E174-I269 HydrophobicContact CG-CG2 4.09Å; V266-I269 WeakPolarHBondContact O-CD1 3.46Å; V266-I269 VanDerWaalsContact O-CG1 3.24Å; V266-I269 WeakPolarHBondContact O-CG1 3.4Å; M267-I269 PolarHBondContact O-N 3.05Å
270L89.4Confident84.9Confident2 Ų235.4 Ų35.41%0.0118%0.176CC..THydrogen-bonded Turntrans-76.3-28.6178.7-67.3173.8000112.1L166 I171 M267 E268 V280 T310 F316L166-L270 HydrophobicContact CB-CD2 4.35Å; I171-L270 HydrophobicContact CD1-CD1 4.01Å; I171-L270 HydrophobicContact CD1-CD2 4.34Å; I171-L270 HydrophobicContact CD1-CG 4.41Å; I171-L270 HydrophobicContact CG1-CD2 4.47Å; M267-L270 PolarHBondContact O-N 2.95Å; E268-L270 PolarHBondContact O-N 3.44Å; L270-V280 HydrophobicContact CB-CG2 4.15Å; L270-V280 HydrophobicContact CD2-CG2 4.16Å; L270-V280 VanDerWaalsContact O-CB 3.23Å; L270-V280 WeakPolarHBondContact O-CB 3.25Å; L270-V280 WeakPolarHBondContact O-CG2 3.24Å; L270-V280 PolarHBondContact O-N 3.49Å; L270-V280 VanDerWaalsContact O-N 3.13Å; L270-T310 HydrophobicContact CD1-CG2 4Å; L270-F316 HydrophobicContact CD1-CE2 4.17Å
271F89.9Confident85.3Confident0 Ų035.4 Ų35.40%018%0.176CC..THydrogen-bonded Turntrans-112.5-11.3-173.7-60.5-77.4000112.8V217 E268 Q273 F316 R319 L320 E323V217-F271 HydrophobicContact CG1-CE2 3.8Å; V217-F271 HydrophobicContact CG1-CZ 4.45Å; E268-F271 CarbonylContact O-C 3.51Å; E268-F271 PolarHBondContact O-N 3.4Å; F271-Q273 PolarHBondContact O-N 3.2Å; F271-F316 HydrophobicContact CE2-CD2 4.33Å; F271-F316 HydrophobicContact CE2-CE2 4.25Å; F271-F316 AromaticContact CZ-CD2 3.95Å; F271-F316 HydrophobicContact CZ-CD2 3.95Å; F271-F316 AromaticContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CZ 4.43Å; F271-R319 HydrophobicContact CD1-CG 4.15Å; F271-R319 HydrophobicContact CD2-CG 3.91Å; F271-R319 HydrophobicContact CE1-CG 3.93Å; F271-R319 HydrophobicContact CE2-CB 4.47Å; F271-R319 HydrophobicContact CE2-CG 3.68Å; F271-R319 HydrophobicContact CG-CG 4.14Å; F271-R319 HydrophobicContact CZ-CB 4.24Å; F271-R319 HydrophobicContact CZ-CG 3.69Å; F271-L320 HydrophobicContact CE1-CB 4.26Å; F271-L320 HydrophobicContact CE1-CD1 4.15Å; F271-E323 HydrophobicContact CD1-CB 4.44Å; F271-E323 HydrophobicContact CD1-CG 4.24Å
272E86.5Confident85.7Confident34 Ų3434.6 Ų34.616%0.15917%0.17CC..SBendtrans-59131.1168.4-169162.1-175.700109.5K230 F231 E268K230-E272 IonicContact NZ-OE2 3.66Å; K230-E272 PolarHBondContact NZ-OE2 3.43Å; F231-E272 WeakPolarHBondContact CE2-OE1 3.42Å; F231-E272 WeakPolarHBondContact CZ-OE1 3.44Å; E268-E272 WeakPolarHBondContact O-CB 3.42Å; E268-E272 PolarHBondContact O-N 3.32Å
273Q81Confident86Confident58 Ų5834.8 Ų34.827%0.27117%0.171SC..PPolyproline II helixtrans-85.2116.1174.8-81.8164.155.300107.8F271F271-Q273 PolarHBondContact O-N 3.2Å
274D76.6Confident86.4Confident90 Ų9033.5 Ų33.548%0.48117%0.166SC..PPolyproline II helixtrans-61.3173.2172.7-74.9-19.3000111.1E276 E277 K278D274-E276 PolarHBondContact O-N 3.03Å; D274-E277 WeakPolarHBondContact O-CA 3.47Å; D274-E277 PolarHBondContact O-N 3.4Å; D274-K278 PolarHBondContact N-O 2.96Å; D274-K278 VanDerWaalsContact N-O 3.11Å
275N78.1Confident86.8Confident181 Ų18133.2 Ų33.297%0.96816%0.164SC*.THydrogen-bonded Turntrans-53.8-19.6172.5-67.5-23.2000113.6
276E77.4Confident87.1Confident133 Ų13333.3 Ų33.362%0.62116%0.164SC*.THydrogen-bonded Turntrans-93.39175.1-59.9-171.1175.500113.9D274 K278D274-E276 PolarHBondContact O-N 3.03Å; E276-K278 HydrophobicContact CB-CD 4.07Å; E276-K278 HydrophobicContact CB-CG 4.15Å; E276-K278 PolarHBondContact O-N 3.32Å; E276-K278 WeakPolarHBondContact OE2-CD 3.33Å; E276-K278 VanDerWaalsContact OE2-CE 3.28Å; E276-K278 WeakPolarHBondContact OE2-CE 3.33Å; E276-K278 IonicContact OE2-NZ 2.85Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å
277E80.4Confident87.1Confident93 Ų9333.3 Ų33.344%0.43516%0.164SC..  trans57.125.4-172.2-53.3-177.6152.700114D274 T282 K332D274-E277 WeakPolarHBondContact O-CA 3.47Å; D274-E277 PolarHBondContact O-N 3.4Å; E277-T282 WeakPolarHBondContact O-CG2 3.29Å; E277-T282 PolarHBondContact O-OG1 2.78Å; E277-K332 IonicContact OE2-NZ 3.22Å; E277-K332 PolarHBondContact OE2-NZ 2.75Å
278K85.7Confident87.1Confident69 Ų6933.2 Ų33.230%0.316%0.164SC..  trans-93.7134.7-180-71.6175.2-179.5168.30110.2L164 D274 E276 T282L164-K278 HydrophobicContact CD1-CB 4.46Å; L164-K278 HydrophobicContact CD2-CB 4.17Å; L164-K278 HydrophobicContact CD2-CD 4Å; D274-K278 PolarHBondContact N-O 2.96Å; D274-K278 VanDerWaalsContact N-O 3.11Å; E276-K278 HydrophobicContact CB-CD 4.07Å; E276-K278 HydrophobicContact CB-CG 4.15Å; E276-K278 PolarHBondContact O-N 3.32Å; E276-K278 WeakPolarHBondContact OE2-CD 3.33Å; E276-K278 VanDerWaalsContact OE2-CE 3.28Å; E276-K278 WeakPolarHBondContact OE2-CE 3.33Å; E276-K278 IonicContact OE2-NZ 2.85Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å; K278-T282 WeakPolarHBondContact CA-OG1 3.29Å
279S90.6Very high86.9Confident0 Ų034.2 Ų34.20%017%0.17CC..  trans-153.8167.8178.566.90000107.3L164 A281 T282 L283L164-S279 WeakPolarHBondContact CD1-O 3.4Å; S279-A281 PolarHBondContact O-N 2.9Å; S279-A281 PolarHBondContact OG-N 3.25Å; S279-T282 PolarHBondContact N-OG1 3.46Å; S279-T282 PolarHBondContact O-N 2.89Å; S279-T282 PolarHBondContact O-OG1 3.23Å; S279-T282 PolarHBondContact OG-N 2.86Å; S279-T282 PolarHBondContact OG-OG1 3.45Å; S279-L283 PolarHBondContact O-N 2.84Å
280V91.2Very high86.6Confident1 Ų138.9 Ų38.91%0.00619%0.19CC..Hα-helixtrans-58.7-33.9176.51720000112M139 T146 L166 L270 L283 F316 L320M139-V280 HydrophobicContact CE-CB 4.32Å; M139-V280 HydrophobicContact CE-CG1 2.95Å; T146-V280 HydrophobicContact CG2-CG1 4.46Å; L166-V280 HydrophobicContact CB-CG2 4.23Å; L166-V280 HydrophobicContact CD1-CG2 4.26Å; L270-V280 HydrophobicContact CB-CG2 4.15Å; L270-V280 HydrophobicContact CD2-CG2 4.16Å; L270-V280 VanDerWaalsContact O-CB 3.23Å; L270-V280 WeakPolarHBondContact O-CB 3.25Å; L270-V280 WeakPolarHBondContact O-CG2 3.24Å; L270-V280 PolarHBondContact O-N 3.49Å; L270-V280 VanDerWaalsContact O-N 3.13Å; V280-L283 WeakPolarHBondContact O-CB 3.39Å; V280-F316 HydrophobicContact CG1-CZ 4.34Å; V280-L320 HydrophobicContact CG1-CD1 4.4Å
281A91.8Very high86.3Confident0 Ų041.8 Ų41.80%020%0.203CC..Hα-helixtrans-79.1-39.1178.400000113.1S279 L283 I284 L320 E323 I324 L327S279-A281 PolarHBondContact O-N 2.9Å; S279-A281 PolarHBondContact OG-N 3.25Å; A281-L283 PolarHBondContact O-N 3.26Å; A281-I284 PolarHBondContact O-N 3.37Å; A281-L320 HydrophobicContact CB-CD1 4.06Å; A281-E323 HydrophobicContact CB-CB 3.82Å; A281-E323 HydrophobicContact CB-CG 3.69Å; A281-I324 HydrophobicContact CB-CG1 4.3Å; A281-L327 HydrophobicContact CB-CD1 3.63Å
282T91.3Very high86.2Confident3 Ų341.9 Ų41.92%0.01820%0.204CC..Hα-helixtrans-66.9-25.3175.7460000112E277 K278 S279 I284 L285 D286 L327E277-T282 WeakPolarHBondContact O-CG2 3.29Å; E277-T282 PolarHBondContact O-OG1 2.78Å; K278-T282 WeakPolarHBondContact CA-OG1 3.29Å; S279-T282 PolarHBondContact N-OG1 3.46Å; S279-T282 PolarHBondContact O-N 2.89Å; S279-T282 PolarHBondContact O-OG1 3.23Å; S279-T282 PolarHBondContact OG-N 2.86Å; S279-T282 PolarHBondContact OG-OG1 3.45Å; T282-I284 VanDerWaalsContact C-N 3.34Å; T282-I284 PolarHBondContact O-N 3.37Å; T282-L285 PolarHBondContact O-N 3.41Å; T282-D286 WeakPolarHBondContact O-CB 3.47Å; T282-D286 PolarHBondContact O-N 3.49Å; T282-L327 HydrophobicContact CG2-CD1 3.52Å; T282-L327 HydrophobicContact CG2-CD2 3.78Å; T282-L327 HydrophobicContact CG2-CG 4.26Å
283L91.8Very high86.3Confident6 Ų643.7 Ų43.73%0.03122%0.219CC..Hα-helixtrans-57.2-44.6175.9-16264.5000113.3T146 V148 E162 L164 S279 V280 A281 D286 A287T146-L283 HydrophobicContact CG2-CD2 4.03Å; V148-L283 HydrophobicContact CB-CD2 4.34Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.28Å; V148-L283 HydrophobicContact CG2-CD2 3.67Å; V148-L283 HydrophobicContact CG2-CG 3.79Å; E162-L283 HydrophobicContact CB-CD1 3.39Å; E162-L283 HydrophobicContact CB-CG 3.95Å; E162-L283 HydrophobicContact CG-CD1 4.42Å; L164-L283 HydrophobicContact CD1-CB 4.18Å; L164-L283 HydrophobicContact CD1-CD1 3.86Å; L164-L283 HydrophobicContact CD1-CD2 4.18Å; L164-L283 HydrophobicContact CD1-CG 4.33Å; L164-L283 HydrophobicContact CD2-CD1 4.43Å; L164-L283 HydrophobicContact CG-CD1 3.69Å; L164-L283 HydrophobicContact CG-CD2 4.13Å; L164-L283 HydrophobicContact CG-CG 4.44Å; S279-L283 PolarHBondContact O-N 2.84Å; V280-L283 WeakPolarHBondContact O-CB 3.39Å; A281-L283 PolarHBondContact O-N 3.26Å; L283-D286 PolarHBondContact O-N 3.48Å; L283-A287 WeakPolarHBondContact O-CB 3.2Å; L283-A287 PolarHBondContact O-N 3.27Å
284I91.6Very high86.6Confident0 Ų047.2 Ų47.20%024%0.238CC..Hα-helixtrans-61.2-46.8177.1-67166000110.1L137 M139 V148 A281 T282 L288 L304 L320 I324L137-I284 HydrophobicContact CD2-CB 4.28Å; L137-I284 HydrophobicContact CD2-CG2 3.37Å; M139-I284 HydrophobicContact CE-CD1 4.43Å; M139-I284 HydrophobicContact SD-CD1 3.75Å; M139-I284 HydrophobicContact SD-CG1 4.24Å; V148-I284 HydrophobicContact CG2-CG1 4.12Å; A281-I284 PolarHBondContact O-N 3.37Å; T282-I284 VanDerWaalsContact C-N 3.34Å; T282-I284 PolarHBondContact O-N 3.37Å; I284-L288 HydrophobicContact CG2-CD1 4.31Å; I284-L288 WeakPolarHBondContact O-CG 3.28Å; I284-L288 PolarHBondContact O-N 2.8Å; I284-L304 HydrophobicContact CD1-CD1 4.29Å; I284-L304 HydrophobicContact CD1-CD2 4.17Å; I284-L304 HydrophobicContact CG2-CD1 4.44Å; I284-L320 HydrophobicContact CD1-CD1 4.08Å; I284-L320 HydrophobicContact CD1-CD2 4.32Å; I284-L320 HydrophobicContact CD1-CG 4.48Å; I284-I324 HydrophobicContact CD1-CD1 3.66Å; I284-I324 HydrophobicContact CD1-CG1 4.4Å
285L90.1Very high87.2Confident0 Ų049.5 Ų49.50%025%0.25CS..Hα-helixtrans-69.5-39.3-177.4-63.9177.1000111.8T282 L288 V289 I324 L327 V328 Y333 L337 F342T282-L285 PolarHBondContact O-N 3.41Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-V289 VanDerWaalsContact O-CB 3.29Å; L285-V289 WeakPolarHBondContact O-CB 3.41Å; L285-V289 WeakPolarHBondContact O-CG2 3.42Å; L285-V289 PolarHBondContact O-N 3.48Å; L285-I324 HydrophobicContact CD2-CG2 4.35Å; L285-L327 HydrophobicContact CD1-CB 3.37Å; L285-L327 HydrophobicContact CD1-CD1 4.12Å; L285-L327 HydrophobicContact CD1-CG 4.39Å; L285-V328 HydrophobicContact CD1-CG2 4.26Å; L285-V328 HydrophobicContact CD2-CG2 3.72Å; L285-Y333 HydrophobicContact CB-CD1 3.9Å; L285-Y333 HydrophobicContact CB-CE1 3.63Å; L285-Y333 HydrophobicContact CD1-CD1 4.38Å; L285-Y333 HydrophobicContact CD1-CD2 4.13Å; L285-Y333 HydrophobicContact CD1-CE1 4.45Å; L285-Y333 HydrophobicContact CD1-CE2 4.2Å; L285-Y333 HydrophobicContact CD1-CG 4.22Å; L285-L337 HydrophobicContact CD2-CD1 4.04Å; L285-F342 HydrophobicContact CD2-CE1 4.21Å; L285-F342 HydrophobicContact CD2-CE2 4.49Å; L285-F342 HydrophobicContact CD2-CZ 3.69Å
286D89.9Confident87.8Confident7 Ų741.5 Ų41.54%0.03721%0.208CC..Hα-helixtrans-66.3-43179-79.3-1.5000111.3T282 L283 L288 V289 K290 Y333T282-D286 WeakPolarHBondContact O-CB 3.47Å; T282-D286 PolarHBondContact O-N 3.49Å; L283-D286 PolarHBondContact O-N 3.48Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.46Å; D286-V289 PolarHBondContact O-N 2.9Å; D286-K290 HydrophobicContact CB-CD 4.16Å; D286-K290 VanDerWaalsContact CG-CE 3.41Å; D286-K290 VanDerWaalsContact O-CB 3.28Å; D286-K290 WeakPolarHBondContact O-CB 3.25Å; D286-K290 PolarHBondContact O-N 3.22Å; D286-K290 IonicContact OD1-NZ 3.92Å; D286-K290 WeakPolarHBondContact OD2-CE 3.29Å; D286-K290 IonicContact OD2-NZ 3.27Å; D286-K290 PolarHBondContact OD2-NZ 3.08Å; D286-Y333 WeakPolarHBondContact OD1-CE1 3.29Å; D286-Y333 PolarHBondContact OD1-OH 3.27Å
287A89.4Confident88.3Confident0 Ų037.2 Ų37.20%019%0.186CC..Iπ-helixtrans-57.9-43.4173.600000111.7V148 E162 L283 C292V148-A287 HydrophobicContact CG1-CB 3.77Å; E162-A287 HydrophobicContact CB-CB 4.37Å; E162-A287 HydrophobicContact CG-CB 3.94Å; L283-A287 WeakPolarHBondContact O-CB 3.2Å; L283-A287 PolarHBondContact O-N 3.27Å; A287-C292 PolarHBondContact O-N 2.85Å; A287-C292 PolarHBondContact O-SG 2.93Å
288L87.9Confident88.7Confident0 Ų038.7 Ų38.70%019%0.191CC..Iπ-helixtrans-70-43.9178.5-72174000113.4L137 I284 L285 D286 C292 R297 L300 F342L137-L288 HydrophobicContact CD1-CD2 4.38Å; L137-L288 HydrophobicContact CD2-CD1 3.83Å; L137-L288 HydrophobicContact CD2-CD2 4.01Å; L137-L288 HydrophobicContact CD2-CG 3.79Å; I284-L288 HydrophobicContact CG2-CD1 4.31Å; I284-L288 WeakPolarHBondContact O-CG 3.28Å; I284-L288 PolarHBondContact O-N 2.8Å; L285-L288 PolarHBondContact O-N 3.38Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.46Å; L288-C292 WeakPolarHBondContact O-CB 3.49Å; L288-R297 PolarHBondContact O-NE 2.82Å; L288-L300 HydrophobicContact CD2-CB 3.6Å; L288-L300 HydrophobicContact CD2-CD1 4.11Å; L288-F342 HydrophobicContact CD1-CE1 3.86Å; L288-F342 HydrophobicContact CD1-CZ 4.37Å
289V85.9Confident89Confident23 Ų2337.8 Ų37.814%0.13919%0.191CC..Iπ-helixtrans-86.1-43.3-169.4168.40000112.4L285 D286 R297 Y333 V336 L337L285-V289 VanDerWaalsContact O-CB 3.29Å; L285-V289 WeakPolarHBondContact O-CB 3.41Å; L285-V289 WeakPolarHBondContact O-CG2 3.42Å; L285-V289 PolarHBondContact O-N 3.48Å; D286-V289 PolarHBondContact O-N 2.9Å; V289-R297 PolarHBondContact O-NH2 3.28Å; V289-Y333 HydrophobicContact CB-CD1 4.49Å; V289-Y333 HydrophobicContact CG2-CD1 4.04Å; V289-V336 HydrophobicContact CG1-CB 4.1Å; V289-V336 HydrophobicContact CG1-CG1 3.82Å; V289-V336 HydrophobicContact CG1-CG2 4.31Å; V289-V336 HydrophobicContact CG2-CG1 4.44Å; V289-L337 HydrophobicContact CG2-CD1 4.14Å; V289-L337 HydrophobicContact CG2-CD2 3.72Å; V289-L337 HydrophobicContact CG2-CG 3.79Å
290K83Confident89Confident116 Ų11637.8 Ų37.850%0.50419%0.191SC..Iπ-helixtrans-80.2-41.8-174.4-61.7178.2-171.1164.40111.7D286D286-K290 HydrophobicContact CB-CD 4.16Å; D286-K290 VanDerWaalsContact CG-CE 3.41Å; D286-K290 VanDerWaalsContact O-CB 3.28Å; D286-K290 WeakPolarHBondContact O-CB 3.25Å; D286-K290 PolarHBondContact O-N 3.22Å; D286-K290 IonicContact OD1-NZ 3.92Å; D286-K290 WeakPolarHBondContact OD2-CE 3.29Å; D286-K290 IonicContact OD2-NZ 3.27Å; D286-K290 PolarHBondContact OD2-NZ 3.08Å
291Q83.4Confident88.9Confident63 Ų6337.9 Ų37.929%0.29419%0.192SC..Iπ-helixtrans-114.2-26.5-163.3-49.2-170.98.300113.8P159 A160 W161 E162P159-Q291 VanDerWaalsContact C-OE1 3.25Å; P159-Q291 PolarHBondContact O-OE1 3.14Å; A160-Q291 VanDerWaalsContact CA-CB 3.44Å; A160-Q291 HydrophobicContact CB-CB 3.67Å; W161-Q291 PolarHBondContact O-NE2 3.12Å; W161-Q291 PolarHBondContact O-OE1 3.23Å; W161-Q291 VanDerWaalsContact O-OE1 3.1Å; E162-Q291 PolarHBondContact OE1-NE2 3.42Å
292C87.1Confident88.8Confident2 Ų240.3 Ų40.31%0.01420%0.203CC..SBendtrans-80.2140179.3-64.70000113.4A287 L288 R297 L300A287-C292 PolarHBondContact O-N 2.85Å; A287-C292 PolarHBondContact O-SG 2.93Å; L288-C292 WeakPolarHBondContact O-CB 3.49Å; C292-R297 HydrophobicContact CB-CG 4.19Å; C292-R297 VanDerWaalsContact O-CZ 3.31Å; C292-R297 PolarHBondContact O-NE 2.92Å; C292-R297 PolarHBondContact O-NH2 2.86Å; C292-L300 HydrophobicContact CB-CD1 4.42Å
293P89Confident88.9Confident72 Ų7241.9 Ų41.947%0.46821%0.211SC..  trans-61.7149.7170.4-2131.9000113.1D295 T296 R297P293-D295 VanDerWaalsContact C-N 3.31Å; P293-D295 PolarHBondContact O-N 2.85Å; P293-T296 HydrophobicContact CB-CG2 4.43Å; P293-T296 PolarHBondContact O-N 3.17Å; P293-T296 VanDerWaalsContact O-N 3.13Å; P293-T296 PolarHBondContact O-OG1 3.37Å; P293-R297 WeakPolarHBondContact O-CG 3.21Å; P293-R297 PolarHBondContact O-N 3.16Å
294I86.8Confident89Confident132 Ų13241.6 Ų41.668%0.67721%0.21SC*.Hα-helixtrans-54.3-43.5-172.7-60.4171.3000112.4T296 R297I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 2.85Å; I294-R297 PolarHBondContact O-N 2.84Å
295D89.3Confident89.1Confident139 Ų13941.6 Ų41.674%0.74321%0.21SC*.Hα-helixtrans-66.4-32.3-175.6-57.9-39.2000112.9P293P293-D295 VanDerWaalsContact C-N 3.31Å; P293-D295 PolarHBondContact O-N 2.85Å
296T89.7Confident89.3Confident12 Ų1241.8 Ų41.87%0.07421%0.211CC..Hα-helixtrans-77.9-26.7-176.865.30000112.8Y152 I157 P293 I294 K298 V299 L300Y152-T296 HydrophobicContact CD1-CG2 4.17Å; Y152-T296 HydrophobicContact CD2-CG2 3.83Å; Y152-T296 HydrophobicContact CE1-CG2 4.36Å; Y152-T296 HydrophobicContact CE2-CG2 4.03Å; Y152-T296 HydrophobicContact CG-CG2 3.9Å; I157-T296 HydrophobicContact CD1-CG2 4.37Å; P293-T296 HydrophobicContact CB-CG2 4.43Å; P293-T296 PolarHBondContact O-N 3.17Å; P293-T296 VanDerWaalsContact O-N 3.13Å; P293-T296 PolarHBondContact O-OG1 3.37Å; I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 2.85Å; T296-K298 VanDerWaalsContact C-N 3.33Å; T296-K298 PolarHBondContact O-N 2.92Å; T296-V299 PolarHBondContact O-N 3.04Å; T296-L300 VanDerWaalsContact O-CG 3.29Å; T296-L300 WeakPolarHBondContact O-CG 3.32Å; T296-L300 PolarHBondContact O-N 3.22Å
297R89.2Confident89.5Confident43 Ų4341.5 Ų41.516%0.16221%0.209CC..Hα-helixtrans-58.7-40-169.6-69.7172.2-169.8-175-6113.4L288 V289 C292 P293 I294 S301L288-R297 PolarHBondContact O-NE 2.82Å; V289-R297 PolarHBondContact O-NH2 3.28Å; C292-R297 HydrophobicContact CB-CG 4.19Å; C292-R297 VanDerWaalsContact O-CZ 3.31Å; C292-R297 PolarHBondContact O-NE 2.92Å; C292-R297 PolarHBondContact O-NH2 2.86Å; P293-R297 WeakPolarHBondContact O-CG 3.21Å; P293-R297 PolarHBondContact O-N 3.16Å; I294-R297 PolarHBondContact O-N 2.84Å; R297-S301 WeakPolarHBondContact O-CB 3.33Å; R297-S301 PolarHBondContact O-N 3.04Å; R297-S301 PolarHBondContact O-OG 3.24Å
298K88.9Confident89.6Confident125 Ų12541.7 Ų41.754%0.54321%0.212SC..Hα-helixtrans-65.2-46.4-179-177.2-174.1175.1-171.30111.6T296 S301 E302T296-K298 VanDerWaalsContact C-N 3.33Å; T296-K298 PolarHBondContact O-N 2.92Å; K298-S301 PolarHBondContact O-OG 3.39Å; K298-S301 VanDerWaalsContact O-OG 3.08Å; K298-E302 VanDerWaalsContact CE-OE1 3.23Å; K298-E302 WeakPolarHBondContact CE-OE1 3.34Å; K298-E302 WeakPolarHBondContact O-CG 3.32Å; K298-E302 PolarHBondContact O-N 2.84Å
299V90.8Very high89.6Confident50 Ų5043.3 Ų43.330%0.30323%0.228SC..Hα-helixtrans-68-40.8-178.3-177.20000110.2T296 E302 N303T296-V299 PolarHBondContact O-N 3.04Å; V299-E302 PolarHBondContact O-N 3.49Å; V299-N303 PolarHBondContact O-N 3.23Å
300L90.8Very high89.9Confident0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-68.5-36.2179-66.4172.2000112.8L137 P150 I151 I157 L288 C292 T296 N303L137-L300 HydrophobicContact CB-CB 4.41Å; P150-L300 HydrophobicContact CB-CD1 3.73Å; P150-L300 HydrophobicContact CB-CD2 4.12Å; I151-L300 VanDerWaalsContact O-CD2 3.24Å; I151-L300 WeakPolarHBondContact O-CD2 3.25Å; I157-L300 HydrophobicContact CD1-CD1 4.49Å; L288-L300 HydrophobicContact CD2-CB 3.6Å; L288-L300 HydrophobicContact CD2-CD1 4.11Å; C292-L300 HydrophobicContact CB-CD1 4.42Å; T296-L300 VanDerWaalsContact O-CG 3.29Å; T296-L300 WeakPolarHBondContact O-CG 3.32Å; T296-L300 PolarHBondContact O-N 3.22Å; L300-N303 CarbonylContact O-C 3.48Å; L300-N303 PolarHBondContact O-N 3.39Å
301S88.4Confident90.3Very high2 Ų237.5 Ų37.51%0.01420%0.203CC..Hα-helixtrans-71.6-35.617764.70000112.5R297 K298 N303 N341 F342R297-S301 WeakPolarHBondContact O-CB 3.33Å; R297-S301 PolarHBondContact O-N 3.04Å; R297-S301 PolarHBondContact O-OG 3.24Å; K298-S301 PolarHBondContact O-OG 3.39Å; K298-S301 VanDerWaalsContact O-OG 3.08Å; S301-N303 VanDerWaalsContact C-N 3.25Å; S301-N303 PolarHBondContact O-N 3.33Å; S301-N341 CarbonylContact C-O 3.47Å; S301-F342 WeakPolarHBondContact O-CA 3.33Å
302E90.8Very high90.6Very high52 Ų5239.1 Ų39.124%0.24321%0.212CC..Hα-helixtrans-68.9-24.3175.2-73.5176.6-168.100112.8K298 V299 R343K298-E302 VanDerWaalsContact CE-OE1 3.23Å; K298-E302 WeakPolarHBondContact CE-OE1 3.34Å; K298-E302 WeakPolarHBondContact O-CG 3.32Å; K298-E302 PolarHBondContact O-N 2.84Å; V299-E302 PolarHBondContact O-N 3.49Å; E302-R343 WeakPolarHBondContact O-CB 3.36Å
303N92.8Very high90.8Very high35 Ų3540 Ų4019%0.18722%0.216CC..  trans-120.379.4-176.8-64.4-26.8000111.4I133 S135 A136 L137 V299 L300 S301 H345I133-N303 HydrophobicContact CD1-CB 4.45Å; S135-N303 WeakPolarHBondContact O-CB 3.28Å; S135-N303 PolarHBondContact O-ND2 2.82Å; A136-N303 CarbonylContact C-O 3.55Å; A136-N303 VanDerWaalsContact CA-O 3.29Å; A136-N303 WeakPolarHBondContact CA-O 3.42Å; A136-N303 HydrophobicContact CB-CB 4.2Å; L137-N303 PolarHBondContact N-O 3.2Å; V299-N303 PolarHBondContact O-N 3.23Å; L300-N303 CarbonylContact O-C 3.48Å; L300-N303 PolarHBondContact O-N 3.39Å; S301-N303 VanDerWaalsContact C-N 3.25Å; S301-N303 PolarHBondContact O-N 3.33Å; N303-H345 PolarHBondContact OD1-NE2 3.21Å
304L93.7Very high90.9Very high0 Ų040.2 Ų40.20%022%0.218CC..EExtended strand (participates in β ladder)trans-93.7130.1173.1-17959.8000110.5L137 I284 V306 I324 R343 I344 H345L137-L304 HydrophobicContact CB-CD1 4.19Å; L137-L304 HydrophobicContact CD2-CD1 4.05Å; L137-L304 HydrophobicContact CG-CD1 4.15Å; I284-L304 HydrophobicContact CD1-CD1 4.29Å; I284-L304 HydrophobicContact CD1-CD2 4.17Å; I284-L304 HydrophobicContact CG2-CD1 4.44Å; L304-V306 HydrophobicContact CG-CG2 4.29Å; L304-I324 HydrophobicContact CD2-CD1 3.93Å; L304-R343 WeakPolarHBondContact CB-O 3.23Å; L304-R343 PolarHBondContact N-O 2.97Å; L304-I344 HydrophobicContact CB-CG1 4.36Å; L304-I344 HydrophobicContact CD2-CD1 4.42Å; L304-I344 HydrophobicContact CD2-CG1 3.92Å; L304-I344 HydrophobicContact CG-CG1 4.26Å; L304-I344 WeakPolarHBondContact O-CA 3.36Å; L304-H345 PolarHBondContact O-N 2.91Å
305V94.8Very high91Very high0 Ų035.9 Ų35.90%021%0.205CC..EExtended strand (participates in β ladder)trans-122124.5176.7-177.30000108.5L131 I133 A136 L137 V138 M139 I307L131-V305 HydrophobicContact CD1-CB 4.37Å; L131-V305 HydrophobicContact CD1-CG1 3.94Å; L131-V305 HydrophobicContact CD1-CG2 3.44Å; L131-V305 VanDerWaalsContact CD1-CG2 3.44Å; I133-V305 HydrophobicContact CD1-CG2 4.15Å; A136-V305 HydrophobicContact CB-CG2 3.94Å; L137-V305 PolarHBondContact O-N 2.69Å; V138-V305 CarbonylContact C-O 3.57Å; V138-V305 WeakPolarHBondContact CA-O 3.5Å; V138-V305 HydrophobicContact CG2-CB 4.32Å; M139-V305 PolarHBondContact N-O 2.68Å; V305-I307 HydrophobicContact CG1-CG2 4.04Å
306V94.6Very high91.2Very high4 Ų429.4 Ų29.42%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-111.6121-179.9-175.30000108.6M139 L304 A311 F316 L317 L320 I344M139-V306 HydrophobicContact SD-CG1 4.2Å; M139-V306 HydrophobicContact SD-CG2 4.28Å; L304-V306 HydrophobicContact CG-CG2 4.29Å; V306-A311 HydrophobicContact CG1-CB 3.66Å; V306-F316 HydrophobicContact CG1-CE1 4.02Å; V306-L317 HydrophobicContact CB-CD2 3.95Å; V306-L317 HydrophobicContact CG1-CD2 4.04Å; V306-L317 HydrophobicContact CG2-CD2 4.14Å; V306-L320 HydrophobicContact CG2-CD2 3.92Å; V306-I344 HydrophobicContact CG2-CG2 4.34Å
307I93.8Very high91.3Very high1 Ų131.9 Ų31.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-124.6173.717869.2178.7000110.7A127 V138 M139 D140 C141 V305 T354A127-I307 HydrophobicContact CB-CD1 3.71Å; A127-I307 HydrophobicContact CB-CG2 3.85Å; V138-I307 HydrophobicContact CG1-CD1 3.78Å; V138-I307 HydrophobicContact CG1-CG1 4.1Å; M139-I307 PolarHBondContact O-N 3.39Å; D140-I307 HydrophobicContact CB-CD1 3.93Å; D140-I307 HydrophobicContact CB-CG1 3.66Å; C141-I307 PolarHBondContact N-O 3.5Å; V305-I307 HydrophobicContact CG1-CG2 4.04Å; I307-T354 HydrophobicContact CG2-CG2 3.92Å
308G90.6Very high91.5Very high5 Ų535.5 Ų35.55%0.05220%0.202CC..SBendtrans107.2170175.300000113.9D140 C141 P351 N352D140-G308 WeakPolarHBondContact OD1-CA 3.44Å; C141-G308 CarbonylContact O-C 3.53Å; C141-G308 WeakPolarHBondContact O-CA 3.48Å; G308-P351 PolarHBondContact N-O 3.22Å; G308-P351 VanDerWaalsContact N-O 3.13Å; G308-N352 PolarHBondContact O-N 3.02Å
309G89.1Confident91.7Very high34 Ų3429.6 Ų29.635%0.35118%0.176SC..SBendtrans-71.5-40.3-176.600000112.9C141 A311 M312C141-G309 PolarHBondContact O-N 2.96Å; G309-A311 VanDerWaalsContact C-N 3.27Å; G309-A311 PolarHBondContact O-N 3.49Å; G309-M312 WeakPolarHBondContact O-CB 3.42Å; G309-M312 PolarHBondContact O-N 2.98Å
310T91.1Very high91.8Very high12 Ų1227.2 Ų27.27%0.07416%0.162CC..G310 helixtrans-69.1-28.6-177.1-50.20000111.8C141 G142 I171 L270 M312 L313C141-T310 PolarHBondContact O-N 3.14Å; C141-T310 PolarHBondContact O-OG1 3.25Å; G142-T310 PolarHBondContact O-OG1 2.95Å; I171-T310 HydrophobicContact CD1-CG2 3.71Å; L270-T310 HydrophobicContact CD1-CG2 4Å; T310-M312 PolarHBondContact O-N 3.32Å; T310-M312 VanDerWaalsContact O-N 3.15Å; T310-L313 HydrophobicContact CG2-CD1 3.88Å; T310-L313 WeakPolarHBondContact O-CB 3.48Å; T310-L313 WeakPolarHBondContact O-CD1 3.44Å; T310-L313 VanDerWaalsContact O-CG 3.28Å; T310-L313 WeakPolarHBondContact O-CG 3.44Å; T310-L313 PolarHBondContact O-N 3.18Å
311A90.9Very high91.9Very high5 Ų528.7 Ų28.74%0.04117%0.169CC..G310 helixtrans-67.2-11.2176.100000114V306 G309 L313 F316 P351V306-A311 HydrophobicContact CG1-CB 3.66Å; G309-A311 VanDerWaalsContact C-N 3.27Å; G309-A311 PolarHBondContact O-N 3.49Å; A311-L313 PolarHBondContact O-N 3.36Å; A311-F316 HydrophobicContact CB-CD1 4.07Å; A311-F316 HydrophobicContact CB-CE1 4.07Å; A311-P351 HydrophobicContact CB-CB 4.26Å
312M90.9Very high92.1Very high96 Ų9629.5 Ų29.547%0.47318%0.176SC..G310 helixtrans-77.3-8.8175.1-65.5-172.960.200113.5G309 T310 K350 P351 N352G309-M312 WeakPolarHBondContact O-CB 3.42Å; G309-M312 PolarHBondContact O-N 2.98Å; T310-M312 PolarHBondContact O-N 3.32Å; T310-M312 VanDerWaalsContact O-N 3.15Å; M312-K350 HydrophobicContact CE-CB 4.32Å; M312-P351 HydrophobicContact CG-CB 4.25Å; M312-P351 HydrophobicContact CG-CG 4.36Å; M312-N352 HydrophobicContact CG-CB 4.35Å; M312-N352 HydrophobicContact SD-CB 3.39Å; M312-N352 WeakPolarHBondContact SD-CB 3.18Å
313L90.6Very high92.1Very high21 Ų2127.1 Ų27.111%0.1117%0.165CC..SBendtrans-61.9140.2178.8-70.7168.4000111.4V217 M267 T310 A311 G315 F316V217-L313 HydrophobicContact CG2-CB 3.91Å; V217-L313 HydrophobicContact CG2-CD1 4.39Å; M267-L313 HydrophobicContact CE-CD1 4.16Å; M267-L313 HydrophobicContact SD-CD1 3.5Å; M267-L313 VanDerWaalsContact SD-CD1 3.5Å; T310-L313 HydrophobicContact CG2-CD1 3.88Å; T310-L313 WeakPolarHBondContact O-CB 3.48Å; T310-L313 WeakPolarHBondContact O-CD1 3.44Å; T310-L313 VanDerWaalsContact O-CG 3.28Å; T310-L313 WeakPolarHBondContact O-CG 3.44Å; T310-L313 PolarHBondContact O-N 3.18Å; A311-L313 PolarHBondContact O-N 3.36Å; L313-G315 PolarHBondContact O-N 3.23Å; L313-F316 HydrophobicContact CB-CB 4.32Å; L313-F316 WeakPolarHBondContact O-CB 3.5Å; L313-F316 PolarHBondContact O-N 2.94Å
314P90.4Very high92.1Very high76 Ų7625.5 Ų25.549%0.49416%0.156SC..THydrogen-bonded Turntrans-66131.2-179.227.8-33.1000110.2F216 V217 F316F216-P314 HydrophobicContact CB-CG 3.87Å; V217-P314 WeakPolarHBondContact CB-O 3.16Å; V217-P314 PolarHBondContact N-O 3.41Å; P314-F316 VanDerWaalsContact C-N 3.33Å; P314-F316 PolarHBondContact O-N 3.4Å
315G89.5Confident92Very high41 Ų4132.1 Ų32.142%0.42318%0.182SC..THydrogen-bonded Turntrans85.5-7.1-179.600000115.5L313 L317 H318 R319L313-G315 PolarHBondContact O-N 3.23Å; G315-L317 PolarHBondContact O-N 3.02Å; G315-H318 PolarHBondContact O-N 3.28Å; G315-R319 PolarHBondContact O-N 3.4Å; G315-R319 VanDerWaalsContact O-N 3.08Å
316F92.8Very high91.8Very high3 Ų335.1 Ų35.11%0.01320%0.197CC..Hα-helixtrans-57.5-48.6-174.3-176.5-96.3000113.5V217 L270 F271 V280 V306 A311 L313 P314 H318 R319 L320V217-F316 HydrophobicContact CG2-CB 4.02Å; V217-F316 HydrophobicContact CG2-CD2 4.2Å; L270-F316 HydrophobicContact CD1-CE2 4.17Å; F271-F316 HydrophobicContact CE2-CD2 4.33Å; F271-F316 HydrophobicContact CE2-CE2 4.25Å; F271-F316 AromaticContact CZ-CD2 3.95Å; F271-F316 HydrophobicContact CZ-CD2 3.95Å; F271-F316 AromaticContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CZ 4.43Å; V280-F316 HydrophobicContact CG1-CZ 4.34Å; V306-F316 HydrophobicContact CG1-CE1 4.02Å; A311-F316 HydrophobicContact CB-CD1 4.07Å; A311-F316 HydrophobicContact CB-CE1 4.07Å; L313-F316 HydrophobicContact CB-CB 4.32Å; L313-F316 WeakPolarHBondContact O-CB 3.5Å; L313-F316 PolarHBondContact O-N 2.94Å; P314-F316 VanDerWaalsContact C-N 3.33Å; P314-F316 PolarHBondContact O-N 3.4Å; F316-H318 PolarHBondContact O-N 2.96Å; F316-R319 PolarHBondContact O-N 2.89Å; F316-L320 HydrophobicContact CE1-CD2 4.08Å; F316-L320 WeakPolarHBondContact O-CB 3.46Å; F316-L320 PolarHBondContact O-N 2.9Å
317L92.6Very high91.5Very high65 Ų6535 Ų3534%0.3420%0.196SC..Hα-helixtrans-64.7-38.2-177.6-61.8178.6000112.8V306 G315 L321 I344V306-L317 HydrophobicContact CB-CD2 3.95Å; V306-L317 HydrophobicContact CG1-CD2 4.04Å; V306-L317 HydrophobicContact CG2-CD2 4.14Å; G315-L317 PolarHBondContact O-N 3.02Å; L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 PolarHBondContact O-N 3.02Å; L317-I344 HydrophobicContact CD2-CG2 4.49Å
318H92.6Very high91.3Very high119 Ų11935 Ų3555%0.55120%0.197SC*.Hα-helixtrans-67.2-46.6178.6-177.7-106.4000110.7D219 G315 F316 L321 A322D219-H318 IonicContact OD1-CE1 3.7Å; D219-H318 IonicContact OD1-ND1 3.33Å; D219-H318 PolarHBondContact OD1-ND1 2.95Å; G315-H318 PolarHBondContact O-N 3.28Å; F316-H318 PolarHBondContact O-N 2.96Å; H318-L321 PolarHBondContact O-N 3.27Å; H318-A322 WeakPolarHBondContact O-CB 3.28Å; H318-A322 PolarHBondContact O-N 3.07Å
319R93.1Very high91.2Very high1 Ų141.4 Ų41.40%0.00423%0.225CC..Hα-helixtrans-60.1-48.9176.3177.157.5-178.1-79.1-1111.4V217 S218 E268 F271 G315 F316 L321 A322 E323V217-R319 HydrophobicContact CG1-CB 3.54Å; V217-R319 HydrophobicContact CG1-CG 3.7Å; S218-R319 VanDerWaalsContact O-CD 3.28Å; S218-R319 WeakPolarHBondContact O-CD 3.47Å; S218-R319 PolarHBondContact O-NH1 3.2Å; E268-R319 IonicContact OE1-CZ 2.79Å; E268-R319 IonicContact OE1-NH1 3.39Å; E268-R319 IonicContact OE1-NH2 3.76Å; E268-R319 PolarHBondContact OE1-NH2 3.37Å; E268-R319 IonicContact OE2-CZ 3.74Å; E268-R319 IonicContact OE2-NH1 3.28Å; E268-R319 PolarHBondContact OE2-NH1 3.4Å; E268-R319 IonicContact OE2-NH2 2.68Å; E268-R319 PolarHBondContact OE2-NH2 2.97Å; F271-R319 HydrophobicContact CD1-CG 4.15Å; F271-R319 HydrophobicContact CD2-CG 3.91Å; F271-R319 HydrophobicContact CE1-CG 3.93Å; F271-R319 HydrophobicContact CE2-CB 4.47Å; F271-R319 HydrophobicContact CE2-CG 3.68Å; F271-R319 HydrophobicContact CG-CG 4.14Å; F271-R319 HydrophobicContact CZ-CB 4.24Å; F271-R319 HydrophobicContact CZ-CG 3.69Å; G315-R319 PolarHBondContact O-N 3.4Å; G315-R319 VanDerWaalsContact O-N 3.08Å; F316-R319 PolarHBondContact O-N 2.89Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.1Å; R319-A322 PolarHBondContact O-N 3.25Å; R319-E323 IonicContact CZ-OE2 2.65Å; R319-E323 IonicContact NE-OE2 3Å; R319-E323 PolarHBondContact NE-OE2 3.27Å; R319-E323 IonicContact NH2-OE2 3.24Å; R319-E323 PolarHBondContact NH2-OE2 3.26Å; R319-E323 WeakPolarHBondContact O-CB 3.35Å; R319-E323 PolarHBondContact O-N 3.45Å
320L93.5Very high91.1Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-57-46.3178.6-179.664.6000111.8M139 F271 V280 A281 I284 V306 F316 A322 E323 I324M139-L320 HydrophobicContact CE-CD1 4.38Å; M139-L320 HydrophobicContact CE-CD2 4.34Å; M139-L320 HydrophobicContact SD-CD2 3.76Å; F271-L320 HydrophobicContact CE1-CB 4.26Å; F271-L320 HydrophobicContact CE1-CD1 4.15Å; V280-L320 HydrophobicContact CG1-CD1 4.4Å; A281-L320 HydrophobicContact CB-CD1 4.06Å; I284-L320 HydrophobicContact CD1-CD1 4.08Å; I284-L320 HydrophobicContact CD1-CD2 4.32Å; I284-L320 HydrophobicContact CD1-CG 4.48Å; V306-L320 HydrophobicContact CG2-CD2 3.92Å; F316-L320 HydrophobicContact CE1-CD2 4.08Å; F316-L320 WeakPolarHBondContact O-CB 3.46Å; F316-L320 PolarHBondContact O-N 2.9Å; L320-A322 PolarHBondContact O-N 2.78Å; L320-E323 PolarHBondContact O-N 2.86Å; L320-I324 HydrophobicContact CD1-CD1 4.19Å; L320-I324 HydrophobicContact CD1-CG1 4.46Å; L320-I324 HydrophobicContact CG-CD1 3.96Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.28Å; L320-I324 PolarHBondContact O-N 2.76Å
321L92.9Very high90.7Very high30 Ų3047.1 Ų47.116%0.15725%0.249CC..Hα-helixtrans-66.6-38.4-179.9-172.862.3000112.5L317 H318 R319 R325 F342 I344L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 PolarHBondContact O-N 3.02Å; H318-L321 PolarHBondContact O-N 3.27Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.1Å; L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.36Å; L321-R325 PolarHBondContact O-N 3.4Å; L321-R325 VanDerWaalsContact O-N 3.12Å; L321-F342 HydrophobicContact CD1-CB 4.08Å; L321-I344 HydrophobicContact CB-CD1 4.12Å; L321-I344 HydrophobicContact CD1-CD1 4.27Å
322A92.8Very high90.4Very high20 Ų2051.4 Ų51.417%0.16527%0.267CS..Hα-helixtrans-65-42.6175.300000111.6L220 H318 R319 L320 R325 L326L220-A322 HydrophobicContact CB-CB 4.08Å; L220-A322 HydrophobicContact CD2-CB 4.11Å; H318-A322 WeakPolarHBondContact O-CB 3.28Å; H318-A322 PolarHBondContact O-N 3.07Å; R319-A322 PolarHBondContact O-N 3.25Å; L320-A322 PolarHBondContact O-N 2.78Å; A322-R325 PolarHBondContact O-N 2.87Å; A322-L326 PolarHBondContact O-N 2.91Å
323E92Very high90.1Very high2 Ų247 Ų471%0.00925%0.245CC..Hα-helixtrans-63.6-44.7177.5-151.673-130.500111.3L220 F271 A281 R319 L320 R325 L326 L327L220-E323 VanDerWaalsContact CD1-CD 3.44Å; L220-E323 WeakPolarHBondContact CD1-OE1 3.46Å; L220-E323 WeakPolarHBondContact CD1-OE2 3.42Å; F271-E323 HydrophobicContact CD1-CB 4.44Å; F271-E323 HydrophobicContact CD1-CG 4.24Å; A281-E323 HydrophobicContact CB-CB 3.82Å; A281-E323 HydrophobicContact CB-CG 3.69Å; R319-E323 IonicContact CZ-OE2 2.65Å; R319-E323 IonicContact NE-OE2 3Å; R319-E323 PolarHBondContact NE-OE2 3.27Å; R319-E323 IonicContact NH2-OE2 3.24Å; R319-E323 PolarHBondContact NH2-OE2 3.26Å; R319-E323 WeakPolarHBondContact O-CB 3.35Å; R319-E323 PolarHBondContact O-N 3.45Å; L320-E323 PolarHBondContact O-N 2.86Å; E323-R325 VanDerWaalsContact C-N 3.32Å; E323-R325 PolarHBondContact O-N 2.94Å; E323-L326 PolarHBondContact O-N 2.79Å; E323-L327 HydrophobicContact CG-CD1 4.34Å; E323-L327 WeakPolarHBondContact O-CB 3.27Å; E323-L327 VanDerWaalsContact O-CG 3.25Å; E323-L327 WeakPolarHBondContact O-CG 3.47Å; E323-L327 PolarHBondContact O-N 3.27Å
324I91.7Very high89.7Confident0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-58.7-45175.7-69.4165.7000110.5A281 I284 L285 L304 L320 L326 L327 V328 F342A281-I324 HydrophobicContact CB-CG1 4.3Å; I284-I324 HydrophobicContact CD1-CD1 3.66Å; I284-I324 HydrophobicContact CD1-CG1 4.4Å; L285-I324 HydrophobicContact CD2-CG2 4.35Å; L304-I324 HydrophobicContact CD2-CD1 3.93Å; L320-I324 HydrophobicContact CD1-CD1 4.19Å; L320-I324 HydrophobicContact CD1-CG1 4.46Å; L320-I324 HydrophobicContact CG-CD1 3.96Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.28Å; L320-I324 PolarHBondContact O-N 2.76Å; I324-L326 PolarHBondContact O-N 3.47Å; I324-L327 PolarHBondContact O-N 2.84Å; I324-V328 HydrophobicContact CG2-CG2 4.08Å; I324-V328 WeakPolarHBondContact O-CB 3.25Å; I324-V328 WeakPolarHBondContact O-CG2 3.49Å; I324-V328 PolarHBondContact O-N 2.94Å; I324-F342 HydrophobicContact CG2-CB 4.41Å; I324-F342 HydrophobicContact CG2-CD1 3.93Å; I324-F342 HydrophobicContact CG2-CD2 3.72Å; I324-F342 HydrophobicContact CG2-CE1 4.07Å; I324-F342 HydrophobicContact CG2-CE2 3.91Å; I324-F342 HydrophobicContact CG2-CG 3.74Å; I324-F342 HydrophobicContact CG2-CZ 4.07Å
325R91Very high89.3Confident140 Ų14050.8 Ų50.853%0.52826%0.264SS..Hα-helixtrans-61-44.6179.3-73.7169.3-179.5169.80.6111.9L321 A322 E323 V328L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.36Å; L321-R325 PolarHBondContact O-N 3.4Å; L321-R325 VanDerWaalsContact O-N 3.12Å; A322-R325 PolarHBondContact O-N 2.87Å; E323-R325 VanDerWaalsContact C-N 3.32Å; E323-R325 PolarHBondContact O-N 2.94Å; R325-V328 PolarHBondContact O-N 3.1Å
326L90.6Very high88.9Confident63 Ų6351.8 Ų51.833%0.3326%0.262SS..Hα-helixtrans-61.4-45.4175.7-178.968.6000111.5L220 A322 E323 I324 V328 E329L220-L326 HydrophobicContact CD1-CD2 4.07Å; L220-L326 HydrophobicContact CD2-CB 4.33Å; L220-L326 HydrophobicContact CD2-CD2 4.27Å; A322-L326 PolarHBondContact O-N 2.91Å; E323-L326 PolarHBondContact O-N 2.79Å; I324-L326 PolarHBondContact O-N 3.47Å; L326-V328 PolarHBondContact O-N 2.62Å; L326-E329 PolarHBondContact O-N 2.94Å
327L89.2Confident88.1Confident0 Ų052.1 Ų52.10%026%0.264CS..Hα-helixtrans-67.6-35-178.4-70.6170.2000112.8A281 T282 L285 E323 I324 E329 K330 Y333A281-L327 HydrophobicContact CB-CD1 3.63Å; T282-L327 HydrophobicContact CG2-CD1 3.52Å; T282-L327 HydrophobicContact CG2-CD2 3.78Å; T282-L327 HydrophobicContact CG2-CG 4.26Å; L285-L327 HydrophobicContact CD1-CB 3.37Å; L285-L327 HydrophobicContact CD1-CD1 4.12Å; L285-L327 HydrophobicContact CD1-CG 4.39Å; E323-L327 HydrophobicContact CG-CD1 4.34Å; E323-L327 WeakPolarHBondContact O-CB 3.27Å; E323-L327 VanDerWaalsContact O-CG 3.25Å; E323-L327 WeakPolarHBondContact O-CG 3.47Å; E323-L327 PolarHBondContact O-N 3.27Å; I324-L327 PolarHBondContact O-N 2.84Å; L327-E329 PolarHBondContact O-N 3.05Å; L327-K330 HydrophobicContact CD2-CD 3.98Å; L327-K330 WeakPolarHBondContact O-CB 3.49Å; L327-K330 PolarHBondContact O-N 2.92Å; L327-Y333 VanDerWaalsContact O-CD2 3.25Å; L327-Y333 WeakPolarHBondContact O-CD2 3.48Å
328V89.3Confident86.9Confident3 Ų354.4 Ų54.42%0.01829%0.292CS..Hα-helixtrans-64.5-23.8177.3169.80000112.2L285 I324 R325 L326 L337 K340 F342L285-V328 HydrophobicContact CD1-CG2 4.26Å; L285-V328 HydrophobicContact CD2-CG2 3.72Å; I324-V328 HydrophobicContact CG2-CG2 4.08Å; I324-V328 WeakPolarHBondContact O-CB 3.25Å; I324-V328 WeakPolarHBondContact O-CG2 3.49Å; I324-V328 PolarHBondContact O-N 2.94Å; R325-V328 PolarHBondContact O-N 3.1Å; L326-V328 PolarHBondContact O-N 2.62Å; V328-L337 HydrophobicContact CG2-CD1 4.26Å; V328-K340 HydrophobicContact CG1-CB 4.03Å; V328-K340 HydrophobicContact CG1-CD 3.88Å; V328-K340 HydrophobicContact CG1-CG 3.66Å; V328-F342 HydrophobicContact CG2-CD2 4.28Å; V328-F342 HydrophobicContact CG2-CE2 3.43Å; V328-F342 VanDerWaalsContact CG2-CE2 3.43Å; V328-F342 HydrophobicContact CG2-CZ 3.94Å
329E88.3Confident85.9Confident138 Ų13849.9 Ų49.965%0.64527%0.274SS*.Hα-helixtrans-77.5-19.4174.5-66.8176.6-17800113.1L326 L327L326-E329 PolarHBondContact O-N 2.94Å; L327-E329 PolarHBondContact O-N 3.05Å
330K87.1Confident84.9Confident69 Ų6955.2 Ų55.230%0.330%0.297SS..SBendtrans-63.1142.4176.6-67.4-173.1173.3-174.60110.6L327 K332 Y333 S334L327-K330 HydrophobicContact CD2-CD 3.98Å; L327-K330 WeakPolarHBondContact O-CB 3.49Å; L327-K330 PolarHBondContact O-N 2.92Å; K330-K332 PolarHBondContact O-N 2.69Å; K330-Y333 HydrophobicContact CB-CD2 4.32Å; K330-Y333 PolarHBondContact O-N 3.37Å; K330-S334 PolarHBondContact O-N 3.23Å
331P83.5Confident84.5Confident98 Ų9859.7 Ų59.764%0.63632%0.321SS*.Hα-helixtrans-59.1-27.9-174.422.8-34.1000113.7Y333 S334 N335P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 PolarHBondContact O-N 3.2Å; P331-S334 WeakPolarHBondContact CA-OG 3.37Å; P331-N335 PolarHBondContact O-ND2 2.7Å
332K83.7Confident84.3Confident95 Ų9559 Ų5941%0.41332%0.317SS..Hα-helixtrans-58.1-36.3175.5-171.7179.3-175.6-178.80112.6E277 K330E277-K332 IonicContact OE2-NZ 3.22Å; E277-K332 PolarHBondContact OE2-NZ 2.75Å; K330-K332 PolarHBondContact O-N 2.69Å
333Y84.6Confident84.2Confident4 Ų465.3 Ų65.32%0.01634%0.336CS..Hα-helixtrans-106.7-33.9-174.6-59.4-69.4000112.3L285 D286 V289 L327 K330 P331 N335 V336 L337L285-Y333 HydrophobicContact CB-CD1 3.9Å; L285-Y333 HydrophobicContact CB-CE1 3.63Å; L285-Y333 HydrophobicContact CD1-CD1 4.38Å; L285-Y333 HydrophobicContact CD1-CD2 4.13Å; L285-Y333 HydrophobicContact CD1-CE1 4.45Å; L285-Y333 HydrophobicContact CD1-CE2 4.2Å; L285-Y333 HydrophobicContact CD1-CG 4.22Å; D286-Y333 WeakPolarHBondContact OD1-CE1 3.29Å; D286-Y333 PolarHBondContact OD1-OH 3.27Å; V289-Y333 HydrophobicContact CB-CD1 4.49Å; V289-Y333 HydrophobicContact CG2-CD1 4.04Å; L327-Y333 VanDerWaalsContact O-CD2 3.25Å; L327-Y333 WeakPolarHBondContact O-CD2 3.48Å; K330-Y333 HydrophobicContact CB-CD2 4.32Å; K330-Y333 PolarHBondContact O-N 3.37Å; P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 PolarHBondContact O-N 3.2Å; Y333-N335 VanDerWaalsContact C-N 3.27Å; Y333-N335 PolarHBondContact O-N 2.9Å; Y333-V336 PolarHBondContact O-N 3.36Å; Y333-V336 VanDerWaalsContact O-N 3.14Å; Y333-L337 PolarHBondContact O-N 3.13Å
334S81.8Confident84.2Confident36 Ų3667.1 Ų67.125%0.25235%0.346SS..Hα-helixtrans-60.2-34.3-17767.80000113.7K330 P331 V336K330-S334 PolarHBondContact O-N 3.23Å; P331-S334 WeakPolarHBondContact CA-OG 3.37Å; S334-V336 VanDerWaalsContact C-N 3.3Å
335N81.9Confident84.1Confident139 Ų13970.1 Ų70.174%0.74336%0.36SS*.THydrogen-bonded Turntrans-77.2-19.8-177.2-65.5-14.5000112.6P331 Y333P331-N335 PolarHBondContact O-ND2 2.7Å; Y333-N335 VanDerWaalsContact C-N 3.27Å; Y333-N335 PolarHBondContact O-N 2.9Å
336V81.1Confident84Confident63 Ų6368 Ų6838%0.38237%0.366SS..THydrogen-bonded Turntrans-106.7-32.1-172.7-172.90000112V289 Y333 S334 A338V289-V336 HydrophobicContact CG1-CB 4.1Å; V289-V336 HydrophobicContact CG1-CG1 3.82Å; V289-V336 HydrophobicContact CG1-CG2 4.31Å; V289-V336 HydrophobicContact CG2-CG1 4.44Å; Y333-V336 PolarHBondContact O-N 3.36Å; Y333-V336 VanDerWaalsContact O-N 3.14Å; S334-V336 VanDerWaalsContact C-N 3.3Å; V336-A338 PolarHBondContact O-N 3.21Å
337L77.4Confident84Confident10 Ų1066 Ų665%0.05236%0.357CS..  trans-89.7106.5-179.4-67172.3000111L285 V289 V328 Y333 F342L285-L337 HydrophobicContact CD2-CD1 4.04Å; V289-L337 HydrophobicContact CG2-CD1 4.14Å; V289-L337 HydrophobicContact CG2-CD2 3.72Å; V289-L337 HydrophobicContact CG2-CG 3.79Å; V328-L337 HydrophobicContact CG2-CD1 4.26Å; Y333-L337 PolarHBondContact O-N 3.13Å; L337-F342 HydrophobicContact CD1-CZ 4.5Å
338A68.1Low83.9Confident113 Ų11370.7 Ų70.793%0.93439%0.387SS*.SBendtrans-70.6-28.517600000113.5V336V336-A338 PolarHBondContact O-N 3.21Å
339S70.3Confident84Confident24 Ų2471.6 Ų71.617%0.16840%0.395CS..  trans-118.3128.8178.4-176.50000110.4
340K73.1Confident84.1Confident113 Ų11371.9 Ų71.949%0.49139%0.394SS..  trans-101.610179.8-58.1-172.4176.1-173.90113.2V328 F342V328-K340 HydrophobicContact CG1-CB 4.03Å; V328-K340 HydrophobicContact CG1-CD 3.88Å; V328-K340 HydrophobicContact CG1-CG 3.66Å; K340-F342 PolarHBondContact O-N 2.85Å
341N84.5Confident84.3Confident94 Ų9470 Ų7050%0.50339%0.389SS..  trans-89.896.1-174.3-69.1-17.1000110.7S301S301-N341 CarbonylContact C-O 3.47Å
342F87.8Confident84.7Confident15 Ų1567.1 Ų67.17%0.06637%0.368CS..  trans-94.1120171.6-67.1-93.3000110.3L285 L288 S301 L321 I324 V328 L337 K340L285-F342 HydrophobicContact CD2-CE1 4.21Å; L285-F342 HydrophobicContact CD2-CE2 4.49Å; L285-F342 HydrophobicContact CD2-CZ 3.69Å; L288-F342 HydrophobicContact CD1-CE1 3.86Å; L288-F342 HydrophobicContact CD1-CZ 4.37Å; S301-F342 WeakPolarHBondContact O-CA 3.33Å; L321-F342 HydrophobicContact CD1-CB 4.08Å; I324-F342 HydrophobicContact CG2-CB 4.41Å; I324-F342 HydrophobicContact CG2-CD1 3.93Å; I324-F342 HydrophobicContact CG2-CD2 3.72Å; I324-F342 HydrophobicContact CG2-CE1 4.07Å; I324-F342 HydrophobicContact CG2-CE2 3.91Å; I324-F342 HydrophobicContact CG2-CG 3.74Å; I324-F342 HydrophobicContact CG2-CZ 4.07Å; V328-F342 HydrophobicContact CG2-CD2 4.28Å; V328-F342 HydrophobicContact CG2-CE2 3.43Å; V328-F342 VanDerWaalsContact CG2-CE2 3.43Å; V328-F342 HydrophobicContact CG2-CZ 3.94Å; L337-F342 HydrophobicContact CD1-CZ 4.5Å; K340-F342 PolarHBondContact O-N 2.85Å
343R90.6Very high85.1Confident152 Ų15263.5 Ų63.557%0.57436%0.355SS*.  trans-119.3130.7173.5-49.2176.5175.5170.3-0.5109.5E302 L304E302-R343 WeakPolarHBondContact O-CB 3.36Å; L304-R343 WeakPolarHBondContact CB-O 3.23Å; L304-R343 PolarHBondContact N-O 2.97Å
344I92.5Very high85.6Confident41 Ų4163.3 Ų63.321%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-96.3117.4177.8-61172.8000108.1L304 V306 L317 L321L304-I344 HydrophobicContact CB-CG1 4.36Å; L304-I344 HydrophobicContact CD2-CD1 4.42Å; L304-I344 HydrophobicContact CD2-CG1 3.92Å; L304-I344 HydrophobicContact CG-CG1 4.26Å; L304-I344 WeakPolarHBondContact O-CA 3.36Å; V306-I344 HydrophobicContact CG2-CG2 4.34Å; L317-I344 HydrophobicContact CD2-CG2 4.49Å; L321-I344 HydrophobicContact CB-CD1 4.12Å; L321-I344 HydrophobicContact CD1-CD1 4.27Å
345H90.8Very high86.1Confident63 Ų6362 Ų6229%0.29235%0.345SS..EExtended strand (participates in β ladder)trans-86.7126.6173.2-64.6-77.4000109.5L131 N303 L304L131-H345 HydrophobicContact CD1-CB 3.96Å; L131-H345 HydrophobicContact CD2-CB 4.46Å; N303-H345 PolarHBondContact OD1-NE2 3.21Å; L304-H345 PolarHBondContact O-N 2.91Å
346S88.8Confident86.7Confident94 Ų9455.3 Ų55.366%0.65731%0.31SS*.PPolyproline II helixtrans-85.9123.3178.2-64.80000109.9
347P89.1Confident87.3Confident22 Ų2253.2 Ų53.214%0.14330%0.296CS..PPolyproline II helixtrans-67.7158.7176.227.6-32.9000112A349 T354P347-A349 VanDerWaalsContact C-N 3.31Å; P347-A349 PolarHBondContact O-N 3.27Å; P347-T354 HydrophobicContact CB-CG2 3.53Å; P347-T354 HydrophobicContact CG-CG2 4Å; P347-T354 WeakPolarHBondContact CG-OG1 3.47Å
348P88.8Confident88Confident98 Ų9852.7 Ų52.764%0.63629%0.293SS*.SBendtrans-67.8-29.7179.426-34000113L357P348-L357 HydrophobicContact CG-CD2 3.88Å
349A89.6Confident89.1Confident23 Ų2347.3 Ų47.319%0.1925%0.249CC..SBendtrans-94.5168.5174.500000112P347 C353 L357P347-A349 VanDerWaalsContact C-N 3.31Å; P347-A349 PolarHBondContact O-N 3.27Å; A349-C353 HydrophobicContact CB-CB 4.47Å; A349-L357 HydrophobicContact CB-CB 4.38Å; A349-L357 HydrophobicContact CB-CD2 3.72Å
350K91.6Very high90.2Very high144 Ų14446.2 Ų46.263%0.62624%0.241SC*.  trans-59.2142.8169.3-64.2-63.5-174.1-179.70110.1M312 N352 C353 T354M312-K350 HydrophobicContact CE-CB 4.32Å; K350-N352 PolarHBondContact O-N 2.78Å; K350-C353 PolarHBondContact O-N 3.33Å; K350-T354 PolarHBondContact O-N 2.98Å; K350-T354 PolarHBondContact O-OG1 3.25Å
351P91Very high91Very high28 Ų2843.9 Ų43.918%0.18223%0.234CC..G310 helixtrans-49.8-36.4-175.7-3135.4000115.4G308 A311 M312 C353 T354G308-P351 PolarHBondContact N-O 3.22Å; G308-P351 VanDerWaalsContact N-O 3.13Å; A311-P351 HydrophobicContact CB-CB 4.26Å; M312-P351 HydrophobicContact CG-CB 4.25Å; M312-P351 HydrophobicContact CG-CG 4.36Å; P351-C353 VanDerWaalsContact C-N 3.35Å; P351-C353 PolarHBondContact O-N 3.07Å; P351-T354 WeakPolarHBondContact CA-OG1 3.33Å; P351-T354 PolarHBondContact O-OG1 3.45Å
352N91.8Very high91.1Very high39 Ų3940.1 Ų40.121%0.20921%0.213CC..G310 helixtrans-67.1-31.9177-175.226.7000113.1K26 G308 M312 K350K26-N352 VanDerWaalsContact CE-CG 3.42Å; K26-N352 WeakPolarHBondContact CE-O 3.5Å; K26-N352 WeakPolarHBondContact CE-OD1 3.33Å; K26-N352 PolarHBondContact NZ-OD1 3.06Å; G308-N352 PolarHBondContact O-N 3.02Å; M312-N352 HydrophobicContact CG-CB 4.35Å; M312-N352 HydrophobicContact SD-CB 3.39Å; M312-N352 WeakPolarHBondContact SD-CB 3.18Å; K350-N352 PolarHBondContact O-N 2.78Å
353C92.9Very high91Very high19 Ų1939.7 Ų39.713%0.12821%0.212CC..G310 helixtrans-97-3-177-63.10000113.6P35 A349 K350 P351 A355 W356 L357P35-C353 HydrophobicContact CG-CB 4.45Å; A349-C353 HydrophobicContact CB-CB 4.47Å; K350-C353 PolarHBondContact O-N 3.33Å; P351-C353 VanDerWaalsContact C-N 3.35Å; P351-C353 PolarHBondContact O-N 3.07Å; C353-A355 PolarHBondContact O-N 3.49Å; C353-W356 PolarHBondContact O-N 3.48Å; C353-L357 PolarHBondContact O-N 3.19Å
354T93.5Very high90.8Very high0 Ų034.8 Ų34.80%020%0.204CC..Hα-helixtrans-61.6-43.3-175.2-55.10000112.4A127 T130 I307 P347 K350 P351 W356 L357 G358A127-T354 HydrophobicContact CB-CG2 4.02Å; T130-T354 HydrophobicContact CG2-CG2 4.13Å; T130-T354 WeakPolarHBondContact CG2-O 3.44Å; I307-T354 HydrophobicContact CG2-CG2 3.92Å; P347-T354 HydrophobicContact CB-CG2 3.53Å; P347-T354 HydrophobicContact CG-CG2 4Å; P347-T354 WeakPolarHBondContact CG-OG1 3.47Å; K350-T354 PolarHBondContact O-N 2.98Å; K350-T354 PolarHBondContact O-OG1 3.25Å; P351-T354 WeakPolarHBondContact CA-OG1 3.33Å; P351-T354 PolarHBondContact O-OG1 3.45Å; T354-W356 VanDerWaalsContact C-N 3.34Å; T354-W356 PolarHBondContact O-N 3.41Å; T354-L357 PolarHBondContact O-N 3.26Å; T354-G358 PolarHBondContact O-N 3.03Å
355A93.2Very high90.3Very high7 Ų736.5 Ų36.56%0.05821%0.213CC..Hα-helixtrans-61-44.4176.200000111.5I92 S123 M126 C353 G358 G359I92-A355 WeakPolarHBondContact CD1-O 3.41Å; I92-A355 HydrophobicContact CG2-CB 4.29Å; S123-A355 VanDerWaalsContact OG-CB 3.27Å; S123-A355 WeakPolarHBondContact OG-CB 3.36Å; M126-A355 WeakPolarHBondContact CB-O 3.49Å; C353-A355 PolarHBondContact O-N 3.49Å; A355-G358 PolarHBondContact O-N 3.37Å; A355-G359 PolarHBondContact O-N 3.05Å; A355-G359 VanDerWaalsContact O-N 3.09Å
356W95.1Very high88.9Confident0 Ų038.8 Ų38.80%022%0.224CC..Hα-helixtrans-59.7-47.6175.4-172.390.5000112.8V17 D19 K26 E32 G34 P35 I92 C353 T354 G358 G359 A360V17-W356 HydrophobicContact CB-CZ2 4.1Å; V17-W356 HydrophobicContact CG1-CG 4.41Å; V17-W356 PolarHBondContact O-NE1 2.82Å; V17-W356 VanDerWaalsContact O-NE1 3.14Å; D19-W356 HydrophobicContact CB-CB 4.33Å; K26-W356 HydrophobicContact CB-CB 4.38Å; K26-W356 HydrophobicContact CB-CG 4.11Å; K26-W356 HydrophobicContact CD-CB 4.25Å; E32-W356 HydrophobicContact CB-CH2 4.22Å; G34-W356 VanDerWaalsContact C-CH2 3.42Å; G34-W356 VanDerWaalsContact CA-CZ3 3.47Å; G34-W356 VanDerWaalsContact O-CH2 3.25Å; G34-W356 WeakPolarHBondContact O-CH2 3.49Å; G34-W356 WeakPolarHBondContact O-CZ3 3.28Å; P35-W356 HydrophobicContact CB-CD2 3.69Å; P35-W356 HydrophobicContact CB-CE3 4Å; P35-W356 HydrophobicContact CB-CG 4.14Å; P35-W356 HydrophobicContact CB-CH2 4.42Å; P35-W356 HydrophobicContact CB-CZ2 4.13Å; P35-W356 HydrophobicContact CB-CZ3 4.38Å; P35-W356 VanDerWaalsContact CD-CE3 3.48Å; P35-W356 HydrophobicContact CG-CD2 4.23Å; P35-W356 HydrophobicContact CG-CE3 4.24Å; I92-W356 VanDerWaalsContact CD1-CA 3.46Å; I92-W356 HydrophobicContact CD1-CB 4.38Å; C353-W356 PolarHBondContact O-N 3.48Å; T354-W356 VanDerWaalsContact C-N 3.34Å; T354-W356 PolarHBondContact O-N 3.41Å; W356-G358 VanDerWaalsContact C-N 3.27Å; W356-G358 PolarHBondContact O-N 3.08Å; W356-G359 PolarHBondContact O-N 2.98Å; W356-G359 VanDerWaalsContact O-N 3.14Å; W356-A360 HydrophobicContact CE3-CB 4.2Å; W356-A360 HydrophobicContact CH2-CB 3.82Å; W356-A360 HydrophobicContact CZ2-CB 4.37Å; W356-A360 HydrophobicContact CZ3-CB 3.7Å; W356-A360 PolarHBondContact O-N 3.41Å
357L93.9Very high87.7Confident18 Ų1841 Ų419%0.09423%0.229CC..Hα-helixtrans-60.3-40.6178.3177.562.9000111.3T130 P348 A349 C353 T354 G359 A360 I361T130-L357 HydrophobicContact CG2-CB 4.13Å; T130-L357 HydrophobicContact CG2-CD2 4.21Å; T130-L357 HydrophobicContact CG2-CG 4.05Å; P348-L357 HydrophobicContact CG-CD2 3.88Å; A349-L357 HydrophobicContact CB-CB 4.38Å; A349-L357 HydrophobicContact CB-CD2 3.72Å; C353-L357 PolarHBondContact O-N 3.19Å; T354-L357 PolarHBondContact O-N 3.26Å; L357-G359 VanDerWaalsContact C-N 3.35Å; L357-G359 PolarHBondContact O-N 3.49Å; L357-A360 WeakPolarHBondContact O-CB 3.46Å; L357-A360 PolarHBondContact O-N 2.91Å; L357-A360 VanDerWaalsContact O-N 3.14Å; L357-I361 HydrophobicContact CD1-CD1 4.48Å; L357-I361 HydrophobicContact CG-CD1 4.21Å; L357-I361 WeakPolarHBondContact O-CG1 3.49Å; L357-I361 PolarHBondContact O-N 3.31Å
358G92.3Very high86.6Confident0 Ų041.7 Ų41.70%023%0.231CC..Hα-helixtrans-58.6-45.6174.700000112.6M126 T130 T354 A355 W356 A360 I361 F362M126-G358 WeakPolarHBondContact O-CA 3.24Å; T130-G358 VanDerWaalsContact CG2-CA 3.48Å; T130-G358 VanDerWaalsContact CG2-N 3.32Å; T354-G358 PolarHBondContact O-N 3.03Å; A355-G358 PolarHBondContact O-N 3.37Å; W356-G358 VanDerWaalsContact C-N 3.27Å; W356-G358 PolarHBondContact O-N 3.08Å; G358-A360 VanDerWaalsContact C-N 3.31Å; G358-A360 PolarHBondContact O-N 3.39Å; G358-I361 PolarHBondContact O-N 3.1Å; G358-F362 VanDerWaalsContact O-CB 3.31Å; G358-F362 WeakPolarHBondContact O-CB 3.46Å; G358-F362 PolarHBondContact O-N 3.2Å
359G91Very high85.3Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-66.5-30.2174.600000113.5A355 W356 L357 F362 G363A355-G359 PolarHBondContact O-N 3.05Å; A355-G359 VanDerWaalsContact O-N 3.09Å; W356-G359 PolarHBondContact O-N 2.98Å; W356-G359 VanDerWaalsContact O-N 3.14Å; L357-G359 VanDerWaalsContact C-N 3.35Å; L357-G359 PolarHBondContact O-N 3.49Å; G359-F362 PolarHBondContact O-N 3.22Å; G359-G363 PolarHBondContact O-N 2.92Å
360A91.9Very high84Confident1 Ų139.2 Ų39.21%0.00822%0.222CC..Hα-helixtrans-70.2-37.717400000113.3V17 G31 W356 L357 G358 A364V17-A360 HydrophobicContact CG2-CB 4.23Å; G31-A360 PolarHBondContact N-O 2.97Å; W356-A360 HydrophobicContact CE3-CB 4.2Å; W356-A360 HydrophobicContact CH2-CB 3.82Å; W356-A360 HydrophobicContact CZ2-CB 4.37Å; W356-A360 HydrophobicContact CZ3-CB 3.7Å; W356-A360 PolarHBondContact O-N 3.41Å; L357-A360 WeakPolarHBondContact O-CB 3.46Å; L357-A360 PolarHBondContact O-N 2.91Å; L357-A360 VanDerWaalsContact O-N 3.14Å; G358-A360 VanDerWaalsContact C-N 3.31Å; G358-A360 PolarHBondContact O-N 3.39Å; A360-A364 WeakPolarHBondContact O-CB 3.17Å; A360-A364 PolarHBondContact O-N 3.28Å
361I90.4Very high83Confident64 Ų6435.2 Ų35.233%0.32821%0.213SC..Hα-helixtrans-66.2-48.3170.4-65166.2000109.2T130 L357 G358 G363 A364 L365T130-I361 HydrophobicContact CG2-CD1 4.42Å; L357-I361 HydrophobicContact CD1-CD1 4.48Å; L357-I361 HydrophobicContact CG-CD1 4.21Å; L357-I361 WeakPolarHBondContact O-CG1 3.49Å; L357-I361 PolarHBondContact O-N 3.31Å; G358-I361 PolarHBondContact O-N 3.1Å; I361-G363 VanDerWaalsContact C-N 3.33Å; I361-G363 PolarHBondContact O-N 2.7Å; I361-A364 WeakPolarHBondContact O-CB 3.2Å; I361-A364 PolarHBondContact O-N 2.94Å; I361-A364 VanDerWaalsContact O-N 3.08Å; I361-L365 WeakPolarHBondContact O-CG 3.32Å; I361-L365 PolarHBondContact O-N 3.45Å
362F87.8Confident82.3Confident15 Ų1540.2 Ų40.27%0.06623%0.228CC..Hα-helixtrans-61.4-41-178.5-160.9-98000112.5L119 M126 G358 G359 A364 L365 I368L119-F362 HydrophobicContact CD2-CD1 3.6Å; L119-F362 HydrophobicContact CD2-CE1 3.44Å; L119-F362 VanDerWaalsContact CD2-CE1 3.44Å; M126-F362 HydrophobicContact CE-CB 4.48Å; M126-F362 HydrophobicContact CE-CD1 4.46Å; M126-F362 HydrophobicContact CE-CD2 3.81Å; M126-F362 HydrophobicContact CE-CE2 4.03Å; M126-F362 HydrophobicContact CE-CG 4.01Å; M126-F362 HydrophobicContact CE-CZ 4.42Å; M126-F362 HydrophobicContact SD-CB 3.64Å; M126-F362 HydrophobicContact SD-CD1 4.31Å; M126-F362 HydrophobicContact SD-CD2 4.1Å; M126-F362 HydrophobicContact SD-CG 3.78Å; G358-F362 VanDerWaalsContact O-CB 3.31Å; G358-F362 WeakPolarHBondContact O-CB 3.46Å; G358-F362 PolarHBondContact O-N 3.2Å; G359-F362 PolarHBondContact O-N 3.22Å; F362-A364 VanDerWaalsContact C-N 3.31Å; F362-A364 PolarHBondContact O-N 3.44Å; F362-L365 PolarHBondContact O-N 2.87Å; F362-I368 HydrophobicContact CD1-CG2 4.01Å; F362-I368 HydrophobicContact CD2-CD1 4.35Å; F362-I368 HydrophobicContact CD2-CG2 4.41Å; F362-I368 HydrophobicContact CE1-CG2 3.29Å; F362-I368 HydrophobicContact CE2-CD1 4.11Å; F362-I368 HydrophobicContact CE2-CG2 3.78Å; F362-I368 HydrophobicContact CZ-CG2 3.19Å
363G84.9Confident81.9Confident5 Ų539.4 Ų39.45%0.05223%0.226CC..Hα-helixtrans-75.2-14.9176.300000114.5A30 G359 I361 L369A30-G363 VanDerWaalsContact CB-C 3.49Å; G359-G363 PolarHBondContact O-N 2.92Å; I361-G363 VanDerWaalsContact C-N 3.33Å; I361-G363 PolarHBondContact O-N 2.7Å; G363-L369 WeakPolarHBondContact O-CD1 3.45Å
364A85.6Confident81.7Confident49 Ų4939.2 Ų39.241%0.40522%0.224SC..Hα-helixtrans-81.8-22.3173.700000111.9A360 I361 F362 Q366A360-A364 WeakPolarHBondContact O-CB 3.17Å; A360-A364 PolarHBondContact O-N 3.28Å; I361-A364 WeakPolarHBondContact O-CB 3.2Å; I361-A364 PolarHBondContact O-N 2.94Å; I361-A364 VanDerWaalsContact O-N 3.08Å; F362-A364 VanDerWaalsContact C-N 3.31Å; F362-A364 PolarHBondContact O-N 3.44Å; A364-Q366 PolarHBondContact O-N 3.46Å
365L81.7Confident81.5Confident78 Ų7841.5 Ų41.541%0.40824%0.24SC..  trans-79.1104.1180-62.9170.1000110.2I361 F362 D367 I368 L369I361-L365 WeakPolarHBondContact O-CG 3.32Å; I361-L365 PolarHBondContact O-N 3.45Å; F362-L365 PolarHBondContact O-N 2.87Å; L365-D367 PolarHBondContact O-N 3.48Å; L365-I368 HydrophobicContact CB-CB 4.44Å; L365-I368 HydrophobicContact CB-CD1 3.82Å; L365-I368 HydrophobicContact CB-CG1 4.11Å; L365-I368 HydrophobicContact CD1-CD1 3.64Å; L365-I368 HydrophobicContact CG-CD1 4.38Å; L365-I368 PolarHBondContact O-N 3.22Å; L365-L369 PolarHBondContact O-N 3.09Å
366Q62.9Low81.2Confident110 Ų11045.5 Ų45.551%0.51425%0.253SS..Hα-helixtrans-59.9-40.4-171.5-70.2-179.7-13.300113.7S9 A364 I368 G370S9-Q366 PolarHBondContact O-NE2 3.42Å; A364-Q366 PolarHBondContact O-N 3.46Å; Q366-I368 PolarHBondContact O-N 2.87Å; Q366-G370 PolarHBondContact O-N 2.96Å
367D63.7Low80.9Confident141 Ų14150.2 Ų50.275%0.75428%0.278SS*.Hα-helixtrans-63.8-29.9-178-62.9-29.2000113.2L365 S371L365-D367 PolarHBondContact O-N 3.48Å; D367-S371 PolarHBondContact O-N 3.1Å; D367-S371 PolarHBondContact O-OG 2.88Å
368I64.3Low80.5Confident37 Ų3752 Ų5219%0.1928%0.284CS..Hα-helixtrans-82.3-42.1-173.9-58.5-177.7000110.6F362 L365 Q366 G370 S371 R372F362-I368 HydrophobicContact CD1-CG2 4.01Å; F362-I368 HydrophobicContact CD2-CD1 4.35Å; F362-I368 HydrophobicContact CD2-CG2 4.41Å; F362-I368 HydrophobicContact CE1-CG2 3.29Å; F362-I368 HydrophobicContact CE2-CD1 4.11Å; F362-I368 HydrophobicContact CE2-CG2 3.78Å; F362-I368 HydrophobicContact CZ-CG2 3.19Å; L365-I368 HydrophobicContact CB-CB 4.44Å; L365-I368 HydrophobicContact CB-CD1 3.82Å; L365-I368 HydrophobicContact CB-CG1 4.11Å; L365-I368 HydrophobicContact CD1-CD1 3.64Å; L365-I368 HydrophobicContact CG-CD1 4.38Å; L365-I368 PolarHBondContact O-N 3.22Å; Q366-I368 PolarHBondContact O-N 2.87Å; I368-G370 VanDerWaalsContact C-N 3.3Å; I368-G370 PolarHBondContact O-N 3.49Å; I368-S371 PolarHBondContact O-N 2.62Å; I368-S371 PolarHBondContact O-OG 3.34Å; I368-R372 HydrophobicContact CG2-CG 4.45Å; I368-R372 WeakPolarHBondContact O-CB 3.46Å; I368-R372 PolarHBondContact O-N 3.27Å
369L62.5Low80.3Confident11 Ų1152.6 Ų52.66%0.05829%0.287CS..Hα-helixtrans-65.8-34.2176.3-71.9-175000112.2A15 V90 L119 G363 L365 S373A15-L369 HydrophobicContact CB-CD1 3.8Å; V90-L369 HydrophobicContact CG2-CD2 3.66Å; L119-L369 HydrophobicContact CD2-CD2 3.76Å; G363-L369 WeakPolarHBondContact O-CD1 3.45Å; L365-L369 PolarHBondContact O-N 3.09Å; L369-S373 VanDerWaalsContact O-CB 3.24Å; L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-OG 2.69Å
370G62.3Low80.1Confident57 Ų5757.9 Ų57.959%0.58832%0.315SS*.Hα-helixtrans-69-34.9177.400000113.6Q366 I368Q366-G370 PolarHBondContact O-N 2.96Å; I368-G370 VanDerWaalsContact C-N 3.3Å; I368-G370 PolarHBondContact O-N 3.49Å
371S69.7Low79.9Confident61 Ų6165.6 Ų65.643%0.42735%0.351SS..Hα-helixtrans-95.2-37-172.654.10000114.3D367 I368D367-S371 PolarHBondContact O-N 3.1Å; D367-S371 PolarHBondContact O-OG 2.88Å; I368-S371 PolarHBondContact O-N 2.62Å; I368-S371 PolarHBondContact O-OG 3.34Å
372R76.9Confident79.6Confident132 Ų13265.9 Ų65.950%0.49836%0.355SS..Hα-helixtrans-103.3-15-171.5-59.3-167.5177.4-164.5-0.5114.9L119 I368 F399L119-R372 HydrophobicContact CD1-CB 4.34Å; I368-R372 HydrophobicContact CG2-CG 4.45Å; I368-R372 WeakPolarHBondContact O-CB 3.46Å; I368-R372 PolarHBondContact O-N 3.27Å; R372-F399 HydrophobicContact CB-CE1 4.15Å; R372-F399 HydrophobicContact CB-CZ 4.09Å; R372-F399 HydrophobicContact CG-CE1 3.79Å; R372-F399 HydrophobicContact CG-CZ 4.22Å
373S84.2Confident79.1Confident23 Ų2367 Ų6716%0.16137%0.371CS..SBendtrans-78.114917976.20000111.5S117 L369S117-S373 WeakPolarHBondContact CB-OG 3.23Å; S117-S373 PolarHBondContact OG-OG 2.76Å; S117-S373 VanDerWaalsContact OG-OG 3.1Å; L369-S373 VanDerWaalsContact O-CB 3.24Å; L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-OG 2.69Å
374V87.1Confident78.6Confident15 Ų1574.2 Ų74.29%0.09140%0.397CS..EExtended strand (participates in β ladder)trans-89122.2175.6-178.80000108.6S117 V118 Y378 I385 P386S117-V374 CarbonylContact C-O 3.44Å; S117-V374 VanDerWaalsContact CA-O 3.23Å; S117-V374 WeakPolarHBondContact CA-O 3.15Å; S117-V374 WeakPolarHBondContact CB-O 3.44Å; V118-V374 PolarHBondContact N-O 2.95Å; V118-V374 PolarHBondContact O-N 3.4Å; V374-Y378 HydrophobicContact CG1-CD1 3.61Å; V374-Y378 HydrophobicContact CG1-CE1 4.39Å; V374-Y378 HydrophobicContact CG1-CG 4.33Å; V374-I385 HydrophobicContact CB-CD1 4.37Å; V374-I385 HydrophobicContact CB-CG1 4.44Å; V374-I385 HydrophobicContact CG1-CD1 4.43Å; V374-I385 HydrophobicContact CG1-CG1 4.13Å; V374-I385 HydrophobicContact CG2-CG1 4.43Å; V374-I385 HydrophobicContact CG2-CG2 4.35Å; V374-P386 HydrophobicContact CG2-CG 4.46Å
375S89.9Confident78.3Confident48 Ų4872.8 Ų72.834%0.33638%0.382SS..EExtended strand (participates in β ladder)trans-79.7157.3176.271.30000111.8D377 Y378 Y379S375-D377 VanDerWaalsContact C-N 3.25Å; S375-D377 PolarHBondContact O-N 3.45Å; S375-Y378 PolarHBondContact O-N 2.82Å; S375-Y378 PolarHBondContact OG-N 3.01Å; S375-Y379 PolarHBondContact O-N 3.47Å; S375-Y379 VanDerWaalsContact O-N 3.08Å
376R87.8Confident77.9Confident91 Ų9170.8 Ų70.834%0.34337%0.374SS..Hα-helixtrans-58-38.7174.1-172.4179.968.8173.90.4112.6F110 E114 P116 Y379 N380F110-R376 HydrophobicContact CD1-CB 3.7Å; F110-R376 HydrophobicContact CD1-CG 3.76Å; F110-R376 VanDerWaalsContact CE1-CA 3.49Å; F110-R376 HydrophobicContact CE1-CB 3.77Å; F110-R376 HydrophobicContact CE1-CG 4.35Å; F110-R376 HydrophobicContact CG-CG 4.37Å; E114-R376 IonicContact OE2-NH1 3.38Å; P116-R376 PolarHBondContact O-N 2.81Å; P116-R376 VanDerWaalsContact O-N 3.08Å; R376-Y379 PolarHBondContact O-N 3.14Å; R376-N380 VanDerWaalsContact O-CG 3.32Å; R376-N380 PolarHBondContact O-N 2.87Å; R376-N380 PolarHBondContact O-ND2 3.36Å
377D88.1Confident78.4Confident98 Ų9866.5 Ų66.552%0.52436%0.355SS..Hα-helixtrans-67.9-39.7-177.7-60.8-27000111.3S375 N380 Q381S375-D377 VanDerWaalsContact C-N 3.25Å; S375-D377 PolarHBondContact O-N 3.45Å; D377-N380 PolarHBondContact O-N 2.92Å; D377-Q381 WeakPolarHBondContact O-CG 3.22Å; D377-Q381 PolarHBondContact O-N 3.25Å
378Y86.3Confident78.6Confident57 Ų5765.4 Ų65.422%0.22434%0.34CS..Hα-helixtrans-60.7-46.6171.6-176.6-89.4000110.9V374 S375 N380 Q381 T382 P396V374-Y378 HydrophobicContact CG1-CD1 3.61Å; V374-Y378 HydrophobicContact CG1-CE1 4.39Å; V374-Y378 HydrophobicContact CG1-CG 4.33Å; S375-Y378 PolarHBondContact O-N 2.82Å; S375-Y378 PolarHBondContact OG-N 3.01Å; Y378-N380 VanDerWaalsContact C-N 3.31Å; Y378-N380 PolarHBondContact O-N 3.28Å; Y378-Q381 PolarHBondContact O-N 3.08Å; Y378-Q381 VanDerWaalsContact O-N 3.12Å; Y378-T382 HydrophobicContact CE1-CG2 4.35Å; Y378-T382 PolarHBondContact O-N 2.88Å; Y378-T382 PolarHBondContact O-OG1 3.4Å; Y378-P396 HydrophobicContact CE2-CB 3.98Å; Y378-P396 HydrophobicContact CE2-CG 4.39Å
379Y87.3Confident78.2Confident12 Ų1268.6 Ų68.65%0.04737%0.365CS..Hα-helixtrans-61.7-37.7178.8-177.7-103.7000113.1T106 K107 F110 S375 R376 Q381 G383 I385T106-Y379 HydrophobicContact CG2-CD2 3.78Å; T106-Y379 HydrophobicContact CG2-CE2 3.49Å; T106-Y379 VanDerWaalsContact CG2-CE2 3.49Å; T106-Y379 HydrophobicContact CG2-CG 4.42Å; K107-Y379 WeakPolarHBondContact CG-OH 3.39Å; F110-Y379 HydrophobicContact CB-CD1 3.92Å; F110-Y379 HydrophobicContact CB-CE1 4.23Å; F110-Y379 AromaticContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD1 3.41Å; F110-Y379 VanDerWaalsContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD2 4Å; F110-Y379 HydrophobicContact CD2-CE1 4.01Å; F110-Y379 AromaticContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CD2-CG 3.4Å; F110-Y379 VanDerWaalsContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CE2-CD1 4.18Å; F110-Y379 HydrophobicContact CE2-CD2 4.11Å; F110-Y379 AromaticContact CE2-CG 3.68Å; F110-Y379 HydrophobicContact CE2-CG 3.68Å; F110-Y379 AromaticContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CG 4.28Å; S375-Y379 PolarHBondContact O-N 3.47Å; S375-Y379 VanDerWaalsContact O-N 3.08Å; R376-Y379 PolarHBondContact O-N 3.14Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.34Å; Y379-G383 WeakPolarHBondContact CE2-O 3.32Å; Y379-G383 WeakPolarHBondContact O-CA 3.38Å; Y379-G383 PolarHBondContact O-N 2.99Å; Y379-I385 HydrophobicContact CD2-CG1 4.12Å
380N87.7Confident77.8Confident111 Ų11170.1 Ų70.159%0.59438%0.376SS*.Hα-helixtrans-66.9-28.7177-72.8-22.6000112.9R376 D377 Y378R376-N380 VanDerWaalsContact O-CG 3.32Å; R376-N380 PolarHBondContact O-N 2.87Å; R376-N380 PolarHBondContact O-ND2 3.36Å; D377-N380 PolarHBondContact O-N 2.92Å; Y378-N380 VanDerWaalsContact C-N 3.31Å; Y378-N380 PolarHBondContact O-N 3.28Å
381Q87.6Confident77.3Confident162 Ų16275.7 Ų75.776%0.75739%0.391SS*.Hα-helixtrans-82.5-46.7177.7-67172.327.300112.2D377 Y378 Y379D377-Q381 WeakPolarHBondContact O-CG 3.22Å; D377-Q381 PolarHBondContact O-N 3.25Å; Y378-Q381 PolarHBondContact O-N 3.08Å; Y378-Q381 VanDerWaalsContact O-N 3.12Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.34Å
382T82.3Confident76.3Confident70 Ų7077.9 Ų77.943%0.42941%0.407SS..Hα-helixtrans-88.5-26.3-173.7-47.60000112.7Y378 R384Y378-T382 HydrophobicContact CE1-CG2 4.35Å; Y378-T382 PolarHBondContact O-N 2.88Å; Y378-T382 PolarHBondContact O-OG1 3.4Å; T382-R384 PolarHBondContact O-N 3.16Å; T382-R384 VanDerWaalsContact O-N 3.15Å
383G78.6Confident74.9Confident39 Ų3973.2 Ų73.240%0.40239%0.394SS..SBendtrans71.8-4-177.700000115.4Y379Y379-G383 WeakPolarHBondContact CE2-O 3.32Å; Y379-G383 WeakPolarHBondContact O-CA 3.38Å; Y379-G383 PolarHBondContact O-N 2.99Å
384R74.9Confident73Confident156 Ų15676.7 Ų76.759%0.58942%0.416SS*.SBendtrans-144.2159.6-179.5-68.5-168.7-177.6-178.6-1.1111.7E103 T382E103-R384 IonicContact OE1-CZ 3.25Å; E103-R384 IonicContact OE1-NE 2.73Å; T382-R384 PolarHBondContact O-N 3.16Å; T382-R384 VanDerWaalsContact O-N 3.15Å
385I78.1Confident71.2Confident19 Ų1978.3 Ų78.310%0.09743%0.427CS..  trans-100.9140.7172.8-74.7-172.9000109T106 F110 F120 V374 Y379 D387T106-I385 HydrophobicContact CG2-CD1 3.27Å; T106-I385 HydrophobicContact CG2-CG1 3.79Å; T106-I385 WeakPolarHBondContact OG1-CD1 3.46Å; F110-I385 HydrophobicContact CE2-CD1 4.21Å; F120-I385 HydrophobicContact CD2-CD1 4.14Å; F120-I385 HydrophobicContact CD2-CG2 4.11Å; F120-I385 HydrophobicContact CE2-CD1 3.53Å; F120-I385 HydrophobicContact CE2-CG2 4.32Å; V374-I385 HydrophobicContact CB-CD1 4.37Å; V374-I385 HydrophobicContact CB-CG1 4.44Å; V374-I385 HydrophobicContact CG1-CD1 4.43Å; V374-I385 HydrophobicContact CG1-CG1 4.13Å; V374-I385 HydrophobicContact CG2-CG1 4.43Å; V374-I385 HydrophobicContact CG2-CG2 4.35Å; Y379-I385 HydrophobicContact CD2-CG1 4.12Å; I385-D387 PolarHBondContact O-N 2.83Å
386P73.9Confident69.1Low36 Ų3677.4 Ų77.423%0.23442%0.42CS..  trans-60.1131175.425.5-35000110.9V374V374-P386 HydrophobicContact CG2-CG 4.46Å
387D73.1Confident66.9Low21 Ų2180.9 Ų80.911%0.11244%0.44CS..  trans-105.4146174.3-171.2-0.4000109.6S99 R102 I385 C389 C390S99-D387 WeakPolarHBondContact CB-OD2 3.45Å; S99-D387 PolarHBondContact OG-OD2 2.66Å; R102-D387 IonicContact CZ-OD1 3.81Å; R102-D387 IonicContact CZ-OD2 3.82Å; R102-D387 IonicContact NH1-OD1 2.68Å; R102-D387 PolarHBondContact NH1-OD1 3.45Å; R102-D387 IonicContact NH1-OD2 3.11Å; R102-D387 IonicContact NH2-OD1 3.74Å; R102-D387 PolarHBondContact NH2-OD1 3.21Å; R102-D387 IonicContact NH2-OD2 4Å; R102-D387 PolarHBondContact NH2-OD2 3.31Å; I385-D387 PolarHBondContact O-N 2.83Å; D387-C389 PolarHBondContact O-N 3.48Å; D387-C389 PolarHBondContact OD1-N 2.67Å; D387-C390 HydrophobicContact CB-CB 3.67Å; D387-C390 PolarHBondContact O-N 3.05Å
388W68.3Low64.8Low118 Ų11879.3 Ų79.345%0.44744%0.437SS..THydrogen-bonded Turntrans-50.9-37.3166.7-51.198000112.2P122P122-W388 HydrophobicContact CG-CH2 4.47Å; P122-W388 HydrophobicContact CG-CZ2 4.04Å
389C54.7Low62.7Low104 Ų10480.5 Ų80.570%0.70344%0.443SS*.THydrogen-bonded Turntrans-85.8-12.2-178.7-61.50000113.9D387 L391D387-C389 PolarHBondContact O-N 3.48Å; D387-C389 PolarHBondContact OD1-N 2.67Å; C389-L391 PolarHBondContact O-N 3.44Å
390C55.5Low60.5Low42 Ų4288.1 Ų88.128%0.28447%0.473SS..  trans-102.684.7-174.3-164.60000110.8D387 S392 S393D387-C390 HydrophobicContact CB-CB 3.67Å; D387-C390 PolarHBondContact O-N 3.05Å; C390-S392 PolarHBondContact O-N 3.21Å; C390-S392 PolarHBondContact SG-OG 2.99Å; C390-S393 PolarHBondContact O-N 2.95Å; C390-S393 PolarHBondContact O-OG 3.25Å
391L52Low58Low174 Ų17488.1 Ų88.191%0.91147%0.47SS*.THydrogen-bonded Turntrans-61.1-13.3175.2-65.9168.8000113.9C389 S393C389-L391 PolarHBondContact O-N 3.44Å; L391-S393 VanDerWaalsContact C-N 3.32Å
392S47.9Very low55.7Low108 Ų10884.5 Ų84.576%0.75547%0.467SS*.THydrogen-bonded Turntrans-81.6-7.3-17969.70000114.5C390C390-S392 PolarHBondContact O-N 3.21Å; C390-S392 PolarHBondContact SG-OG 2.99Å
393S47.3Very low53.6Low33 Ų3384.5 Ų84.523%0.23148%0.481CS..SBendtrans-121.596172.453.40000108.8C390 L391C390-S393 PolarHBondContact O-N 2.95Å; C390-S393 PolarHBondContact O-OG 3.25Å; L391-S393 VanDerWaalsContact C-N 3.32Å
394P44.9Very low51.6Low96 Ų9690.4 Ų90.462%0.62350%0.496SS*.PPolyproline II helixtrans-58.2143.9172.324.9-31.4000108.9
395P48.7Very low49.7Very low50 Ų5088 Ų8833%0.32550%0.499SS..PPolyproline II helixtrans-53143.8169.322.7-31000108.9E397 F399 Y400P395-E397 PolarHBondContact O-N 3.37Å; P395-F399 HydrophobicContact CB-CB 4.25Å; P395-F399 HydrophobicContact CB-CD1 4.48Å; P395-F399 HydrophobicContact CB-CD2 3.59Å; P395-F399 HydrophobicContact CB-CE2 3.98Å; P395-F399 HydrophobicContact CB-CG 3.86Å; P395-Y400 HydrophobicContact CG-CE2 4.36Å
396P45.8Very low47.5Very low29 Ų2992.5 Ų92.519%0.18853%0.529CS..PPolyproline II helixtrans-49.6143.8-17511.1-23.8000111.4Y378 S398 F399Y378-P396 HydrophobicContact CE2-CB 3.98Å; Y378-P396 HydrophobicContact CE2-CG 4.39Å; P396-S398 PolarHBondContact O-N 3.35Å; P396-F399 HydrophobicContact CB-CD2 4.45Å; P396-F399 HydrophobicContact CG-CD2 3.66Å; P396-F399 HydrophobicContact CG-CE2 3.57Å; P396-F399 WeakPolarHBondContact O-CB 3.42Å; P396-F399 WeakPolarHBondContact O-CD2 3.37Å; P396-F399 PolarHBondContact O-N 2.93Å
397E42.1Very low45.7Very low164 Ų16495.9 Ų95.977%0.76655%0.551SS**G310 helixtrans-54.8-19.6-174.1-69.6-176.9153.200113.7P395 F399 Y400 E401P395-E397 PolarHBondContact O-N 3.37Å; E397-F399 PolarHBondContact O-N 2.79Å; E397-F399 VanDerWaalsContact O-N 3.16Å; E397-Y400 PolarHBondContact O-N 3.4Å; E397-E401 PolarHBondContact O-N 3.12Å
398S44.2Very low43.8Very low65 Ų65100.8 Ų100.846%0.45558%0.584SS.*G310 helixtrans-56.1-23.2169.359.10000114.3P396 Y400P396-S398 PolarHBondContact O-N 3.35Å; S398-Y400 VanDerWaalsContact C-N 3.28Å; S398-Y400 PolarHBondContact O-N 3.27Å
399F41Very low42.1Very low82 Ų82103.2 Ų103.236%0.3661%0.605SS.*G310 helixtrans-69.6-23.2173.4-80.9-90.3000112.9R372 P395 P396 E397R372-F399 HydrophobicContact CB-CE1 4.15Å; R372-F399 HydrophobicContact CB-CZ 4.09Å; R372-F399 HydrophobicContact CG-CE1 3.79Å; R372-F399 HydrophobicContact CG-CZ 4.22Å; P395-F399 HydrophobicContact CB-CB 4.25Å; P395-F399 HydrophobicContact CB-CD1 4.48Å; P395-F399 HydrophobicContact CB-CD2 3.59Å; P395-F399 HydrophobicContact CB-CE2 3.98Å; P395-F399 HydrophobicContact CB-CG 3.86Å; P396-F399 HydrophobicContact CB-CD2 4.45Å; P396-F399 HydrophobicContact CG-CD2 3.66Å; P396-F399 HydrophobicContact CG-CE2 3.57Å; P396-F399 WeakPolarHBondContact O-CB 3.42Å; P396-F399 WeakPolarHBondContact O-CD2 3.37Å; P396-F399 PolarHBondContact O-N 2.93Å; E397-F399 PolarHBondContact O-N 2.79Å; E397-F399 VanDerWaalsContact O-N 3.16Å
400Y41.1Very low40.9Very low172 Ų172106.8 Ų106.868%0.67561%0.613SS**THydrogen-bonded Turntrans-102.3-11.3179.8-65.9-81.3000113.6P395 E397 S398 A402P395-Y400 HydrophobicContact CG-CE2 4.36Å; E397-Y400 PolarHBondContact O-N 3.4Å; S398-Y400 VanDerWaalsContact C-N 3.28Å; S398-Y400 PolarHBondContact O-N 3.27Å; Y400-A402 VanDerWaalsContact C-N 3.31Å; Y400-A402 PolarHBondContact O-N 2.86Å
401E35.4Very low39.8Very low111 Ų111114.4 Ų114.452%0.51964%0.642SS.*G310 helixtrans-78.6-8.8179.7-72.7-161.4138.800114.8E397 G403 K404E397-E401 PolarHBondContact O-N 3.12Å; E401-G403 PolarHBondContact O-N 3.36Å; E401-K404 PolarHBondContact O-N 3.15Å
402A41.1Very low38.8Very low85 Ų85116.7 Ų116.770%0.70264%0.638SS**G310 helixtrans-59.4-13.4172.400000113.7Y400Y400-A402 VanDerWaalsContact C-N 3.31Å; Y400-A402 PolarHBondContact O-N 2.86Å
403G37.9Very low38.2Very low71 Ų71116 Ų11673%0.73264%0.639SS**G310 helixtrans-91.6-4.5173.400000115.8E401E401-G403 PolarHBondContact O-N 3.36Å
404K35.6Very low37.5Very low163 Ų163124 Ų12471%0.70967%0.666SS**THydrogen-bonded Turntrans-102.6-13.3-177-73.9-175.3-175.9169.70114.7E401 P406E401-K404 PolarHBondContact O-N 3.15Å; K404-P406 WeakPolarHBondContact O-CD 3.2Å
405T35.6Very low37Very low106 Ų106124.5 Ų124.565%0.6567%0.671SS**SBendtrans-78.5117.4167.9430000108.8
406P32.8Very low36.2Very low112 Ų112130.5 Ų130.573%0.72770%0.697SS**PPolyproline II helixtrans-56.5140.3171.624.7-31.8000108.2K404K404-P406 WeakPolarHBondContact O-CD 3.2Å
407P34.1Very low35.7Very low107 Ų107137.7 Ų137.770%0.69573%0.728SS**PPolyproline II helixtrans-54.7139.7176.523.3-32.3000108.4L409P407-L409 PolarHBondContact O-N 3.48Å
408P33.6Very low35.4Very low124 Ų124143.4 Ų143.481%0.80575%0.75SS**PPolyproline II helixtrans-55.5117.9175.422.6-30.6000107M410P408-M410 PolarHBondContact O-N 2.95Å
409L32.2Very low35Very low169 Ų169147.3 Ų147.389%0.88577%0.765SS**  trans-52.8104.8176-79.4160.2000107.3P407 K411P407-L409 PolarHBondContact O-N 3.48Å; L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.28Å
410M29.6Very low34.6Very low179 Ų179150.7 Ų150.788%0.88279%0.786SS**  trans-55.7106.3161.4-83.5-169-156.500105.7P408 R412P408-M410 PolarHBondContact O-N 2.95Å; M410-R412 PolarHBondContact O-N 3.29Å
411K32.4Very low34.3Very low202 Ų202149.6 Ų149.688%0.87879%0.792SS**  trans-58.197161-82.3-178174.4178.50105.9L409 A413L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.28Å; K411-A413 VanDerWaalsContact C-N 3.34Å; K411-A413 PolarHBondContact O-N 3.06Å
412R31.1Very low34.2Very low223 Ų223151.8 Ų151.884%0.84281%0.809SS**  trans-57.2104.6163.5-86.1-177.5172.9175.5-1.9106.1M410 Y414M410-R412 PolarHBondContact O-N 3.29Å; R412-Y414 PolarHBondContact O-N 3.06Å
413A36.4Very low33.8Very low93 Ų93156 Ų15677%0.76982%0.815SS**  trans-65.886.1159.400000107.4K411K411-A413 VanDerWaalsContact C-N 3.34Å; K411-A413 PolarHBondContact O-N 3.06Å
414Y31.6Very low33.5Very low202 Ų202161.7 Ų161.779%0.79282%0.821SS**  trans-126.588155.9-88.2-80.4000107R412 M416R412-Y414 PolarHBondContact O-N 3.06Å; Y414-M416 PolarHBondContact O-N 3.48Å
415S35.3Very low33.4Very low105 Ų105161.6 Ų161.673%0.73483%0.829SS**  trans-64.9110.8155.6166.40000107.5
416M31.2Very low33.2Very low176 Ų176165.8 Ų165.887%0.86784%0.842SS**  trans-14087.6153.9-77.3-64.2-125.100106.7Y414Y414-M416 PolarHBondContact O-N 3.48Å
417E36Very low33.2Very low181 Ų181170.3 Ų170.385%0.84685%0.852SS**  trans-65.1121.7155.3-71.8179.715400108.5
418K35.3Very low33.2Very low283 Ų283176.1 Ų176.1100%1.2387%0.866SS**  -167.60124.6-105.8-178.9-177.1-177.60111.1

Retrieved 418 of 418 residues in 808.7 ms (Link to these results)