A0A077Z8G3_TRITR Loading...

asparagine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z8G3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 467 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
1M34.1Very low58.9Low201 Ų201121 Ų12199%0.9962%0.619SS**  0110.20-154.1175.5-166.100107.6L3M1-L3 PolarHBondContact O-N 2.76Å
2R34.1Very low61.6Low248 Ų248112 Ų11294%0.93657%0.573SS**  trans-63.1108168.9-82.6-179.6176.4174.8-1.6105.8S4R2-S4 VanDerWaalsContact C-N 3.28Å; R2-S4 PolarHBondContact O-N 3.48Å
3L43.3Very low64Low130 Ų130104.5 Ų104.568%0.68154%0.536SS*.  trans-62.997.6167.4-82156.9000105.9M1 V5M1-L3 PolarHBondContact O-N 2.76Å; L3-V5 PolarHBondContact O-N 3.17Å
4S50.2Low66.2Low105 Ų10597 Ų9773%0.73450%0.498SS*.  trans-60.697160.7430000105.7R2 V6R2-S4 VanDerWaalsContact C-N 3.28Å; R2-S4 PolarHBondContact O-N 3.48Å; S4-V6 PolarHBondContact O-N 3.15Å
5V54.4Low67.9Low43 Ų4393.1 Ų93.126%0.26148%0.475SS..  trans-65.4113.1177.41800000106.3L3 K7 H16L3-V5 PolarHBondContact O-N 3.17Å; V5-K7 PolarHBondContact O-N 3.39Å; V5-H16 HydrophobicContact CB-CB 4.26Å; V5-H16 HydrophobicContact CG1-CB 4.06Å; V5-H16 HydrophobicContact CG2-CB 4.12Å
6V54.5Low69.4Low105 Ų10589.9 Ų89.964%0.63646%0.457SS*.  trans-61.7111.6179.6-179.50000107.8S4 L8S4-V6 PolarHBondContact O-N 3.15Å; V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 HydrophobicContact CG1-CD2 3.61Å; V6-L8 HydrophobicContact CG1-CG 3.9Å; V6-L8 PolarHBondContact O-N 3.34Å
7K61.4Low70.8Confident113 Ų11384.9 Ų84.949%0.49143%0.432SS..  trans-69.387.3167.6-65.5-172.9178-1560107.7V5 K9V5-K7 PolarHBondContact O-N 3.39Å; K7-K9 PolarHBondContact O-N 2.98Å
8L66.2Low71.9Confident126 Ų12681.2 Ų81.266%0.6641%0.413SS*.G310 helixtrans-70.3113.6173.9-68.2173.3000108.4V6 G10 V11V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 HydrophobicContact CG1-CD2 3.61Å; V6-L8 HydrophobicContact CG1-CG 3.9Å; V6-L8 PolarHBondContact O-N 3.34Å; L8-G10 VanDerWaalsContact C-N 3.27Å; L8-G10 PolarHBondContact O-N 3.01Å; L8-V11 WeakPolarHBondContact O-CB 3.41Å; L8-V11 PolarHBondContact O-N 3.37Å
9K74.7Confident72.9Confident197 Ų19782.9 Ų82.986%0.85741%0.414SS*.G310 helixtrans55.935.1176.5-55.9-178.2178.8-178.90114.8K7 V11 K28K7-K9 PolarHBondContact O-N 2.98Å; K9-V11 PolarHBondContact O-N 3.4Å; K9-K28 PolarHBondContact O-NZ 3.04Å
10G84.3Confident73.8Confident43 Ų4384.8 Ų84.844%0.44342%0.421SS..G310 helixtrans69.214-178.900000114.4L8 K28L8-G10 VanDerWaalsContact C-N 3.27Å; L8-G10 PolarHBondContact O-N 3.01Å; G10-K28 WeakPolarHBondContact O-CE 3.43Å
11V90.4Very high74.7Confident20 Ų2081.9 Ų81.912%0.12141%0.412CS..PPolyproline II helixtrans-89.9128.9172.8-176.70000108.7L8 K9 K28 Q30L8-V11 WeakPolarHBondContact O-CB 3.41Å; L8-V11 PolarHBondContact O-N 3.37Å; K9-V11 PolarHBondContact O-N 3.4Å; V11-K28 CarbonylContact C-O 3.51Å; V11-K28 WeakPolarHBondContact CA-O 3.22Å; V11-K28 HydrophobicContact CG2-CD 4.27Å; V11-K28 HydrophobicContact CG2-CG 4.4Å; V11-Q30 HydrophobicContact CG1-CB 4.02Å; V11-Q30 HydrophobicContact CG1-CG 3.86Å; V11-Q30 HydrophobicContact CG2-CG 4.15Å
12Q91.9Very high77.5Confident13 Ų1377.7 Ų77.76%0.06139%0.393CS..BIsolated β-bridgetrans-85.2144.1170.3-58.5-53.8-52.300110H16 L17 V27 K28Q12-H16 PolarHBondContact OE1-ND1 3.42Å; Q12-L17 HydrophobicContact CB-CD1 3.92Å; Q12-L17 HydrophobicContact CB-CD2 3.81Å; Q12-L17 HydrophobicContact CB-CG 3.73Å; Q12-L17 HydrophobicContact CG-CD2 3.94Å; Q12-L17 HydrophobicContact CG-CG 4.41Å; Q12-V27 HydrophobicContact CG-CB 4.23Å; Q12-V27 HydrophobicContact CG-CG1 4.29Å; Q12-K28 PolarHBondContact N-O 2.83Å
13S93.3Very high80.4Confident14 Ų1469.8 Ų69.810%0.09837%0.372CS..PPolyproline II helixtrans-78.214916862.30000111Y15 H16 L17 D49S13-Y15 PolarHBondContact O-N 3.22Å; S13-H16 PolarHBondContact O-N 3.15Å; S13-H16 VanDerWaalsContact OG-CB 3.23Å; S13-H16 WeakPolarHBondContact OG-CB 3.31Å; S13-H16 PolarHBondContact OG-N 3.19Å; S13-H16 VanDerWaalsContact OG-N 3.12Å; S13-L17 WeakPolarHBondContact O-CG 3.31Å; S13-L17 PolarHBondContact O-N 2.81Å; S13-D49 VanDerWaalsContact CA-OD2 3.28Å; S13-D49 WeakPolarHBondContact CA-OD2 3.28Å; S13-D49 VanDerWaalsContact CB-OD2 3.24Å; S13-D49 WeakPolarHBondContact CB-OD2 3.43Å
14V94.1Very high82.9Confident0 Ų066.1 Ų66.10%037%0.365CS..Hα-helixtrans-56.9-41.9170.4169.60000109.9H16 L17 L18 V29 D49 L56V14-H16 VanDerWaalsContact C-N 3.34Å; V14-H16 PolarHBondContact O-N 3.43Å; V14-L17 PolarHBondContact O-N 3.24Å; V14-L18 HydrophobicContact CG1-CD1 3.61Å; V14-L18 HydrophobicContact CG1-CG 4.11Å; V14-L18 WeakPolarHBondContact O-CB 3.42Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 3.3Å; V14-V29 HydrophobicContact CG2-CG2 3.78Å; V14-D49 HydrophobicContact CG2-CB 4.26Å; V14-D49 PolarHBondContact N-OD2 3.27Å; V14-L56 HydrophobicContact CG1-CB 3.9Å; V14-L56 HydrophobicContact CG2-CB 4.07Å
15Y91.9Very high85.1Confident38 Ų3864.3 Ų64.315%0.14935%0.345CS..Hα-helixtrans-55.5-46.4176.1175.4-95.2000112.8S13 R19S13-Y15 PolarHBondContact O-N 3.22Å; Y15-R19 VanDerWaalsContact OH-CZ 3.25Å; Y15-R19 PolarHBondContact OH-NH1 2.78Å
16H91.3Very high87.1Confident43 Ų4368.5 Ų68.520%0.19936%0.362CS..Hα-helixtrans-67.8-48.6179.2179-90.1000111.8V5 Q12 S13 V14 L18 R19 H20 G21V5-H16 HydrophobicContact CB-CB 4.26Å; V5-H16 HydrophobicContact CG1-CB 4.06Å; V5-H16 HydrophobicContact CG2-CB 4.12Å; Q12-H16 PolarHBondContact OE1-ND1 3.42Å; S13-H16 PolarHBondContact O-N 3.15Å; S13-H16 VanDerWaalsContact OG-CB 3.23Å; S13-H16 WeakPolarHBondContact OG-CB 3.31Å; S13-H16 PolarHBondContact OG-N 3.19Å; S13-H16 VanDerWaalsContact OG-N 3.12Å; V14-H16 VanDerWaalsContact C-N 3.34Å; V14-H16 PolarHBondContact O-N 3.43Å; H16-L18 VanDerWaalsContact C-N 3.29Å; H16-L18 PolarHBondContact O-N 2.85Å; H16-R19 PolarHBondContact O-N 3.3Å; H16-R19 VanDerWaalsContact O-N 3.08Å; H16-H20 PolarHBondContact O-N 2.85Å; H16-G21 PolarHBondContact O-N 2.82Å
17L93.2Very high89Confident4 Ų463.8 Ų63.82%0.02133%0.334CS..Hα-helixtrans-57.5-42.5-179-70.9175.4000112.1Q12 S13 V14 R19 G21 V27 V29 L56Q12-L17 HydrophobicContact CB-CD1 3.92Å; Q12-L17 HydrophobicContact CB-CD2 3.81Å; Q12-L17 HydrophobicContact CB-CG 3.73Å; Q12-L17 HydrophobicContact CG-CD2 3.94Å; Q12-L17 HydrophobicContact CG-CG 4.41Å; S13-L17 WeakPolarHBondContact O-CG 3.31Å; S13-L17 PolarHBondContact O-N 2.81Å; V14-L17 PolarHBondContact O-N 3.24Å; L17-R19 PolarHBondContact O-N 3.01Å; L17-G21 VanDerWaalsContact O-CA 3.28Å; L17-G21 WeakPolarHBondContact O-CA 3.12Å; L17-G21 PolarHBondContact O-N 3.04Å; L17-V27 HydrophobicContact CD1-CG2 4.19Å; L17-V27 HydrophobicContact CD2-CB 4.2Å; L17-V27 HydrophobicContact CD2-CG1 3.9Å; L17-V27 HydrophobicContact CD2-CG2 4.18Å; L17-V29 HydrophobicContact CD1-CB 4.24Å; L17-V29 HydrophobicContact CD1-CG2 4.37Å; L17-L56 HydrophobicContact CD1-CD2 3.87Å
18L91.8Very high90.7Very high18 Ų1860.2 Ų60.29%0.09432%0.318CS..Hα-helixtrans-73.7-7-179-63.4175.9000114.6V14 H16 R54 L56 V90V14-L18 HydrophobicContact CG1-CD1 3.61Å; V14-L18 HydrophobicContact CG1-CG 4.11Å; V14-L18 WeakPolarHBondContact O-CB 3.42Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 3.3Å; H16-L18 VanDerWaalsContact C-N 3.29Å; H16-L18 PolarHBondContact O-N 2.85Å; L18-R54 HydrophobicContact CD1-CB 3.6Å; L18-R54 PolarHBondContact O-NH2 3.19Å; L18-L56 HydrophobicContact CD2-CD1 3.92Å; L18-V90 HydrophobicContact CD2-CG2 3.96Å
19R89.4Confident92.1Very high115 Ų11554.2 Ų54.243%0.43429%0.287SS..Hα-helixtrans-117.6-32.8179.5-71-173.3176.3-154.81.2113.2Y15 H16 L17Y15-R19 VanDerWaalsContact OH-CZ 3.25Å; Y15-R19 PolarHBondContact OH-NH1 2.78Å; H16-R19 PolarHBondContact O-N 3.3Å; H16-R19 VanDerWaalsContact O-N 3.08Å; L17-R19 PolarHBondContact O-N 3.01Å
20H91.9Very high93.1Very high120 Ų12048.8 Ų48.856%0.55626%0.264SS*.Hα-helixtrans-138.78.3-168.5-54.8-49000112.4H16H16-H20 PolarHBondContact O-N 2.85Å
21G91.8Very high93.6Very high23 Ų2347 Ų4724%0.23725%0.247CC..PPolyproline II helixtrans-64.1139.3176.600000111.4H16 L17H16-G21 PolarHBondContact O-N 2.82Å; L17-G21 VanDerWaalsContact O-CA 3.28Å; L17-G21 WeakPolarHBondContact O-CA 3.12Å; L17-G21 PolarHBondContact O-N 3.04Å
22I94.2Very high93.8Very high114 Ų11451 Ų5159%0.58526%0.26SS*.PPolyproline II helixtrans-98.3121.4178.8-57.2174.5000108G24 E25I22-G24 PolarHBondContact O-N 3.24Å; I22-E25 HydrophobicContact CB-CB 4.34Å; I22-E25 VanDerWaalsContact O-CB 3.29Å; I22-E25 WeakPolarHBondContact O-CB 3.39Å; I22-E25 PolarHBondContact O-N 2.96Å; I22-E25 VanDerWaalsContact O-N 3.15Å
23V95.2Very high93.8Very high81 Ų8150.5 Ų50.549%0.49126%0.257SS..THydrogen-bonded Turntrans-61.1133.1175.7170.40000109.7V90V23-V90 HydrophobicContact CG2-CG1 4.36Å
24G95.7Very high93.7Very high53 Ų5351.8 Ų51.855%0.54626%0.26SS..THydrogen-bonded Turntrans92.4-11.7-175.300000114.4I22 L80I22-G24 PolarHBondContact O-N 3.24Å; G24-L80 PolarHBondContact N-O 3.11Å
25E94.9Very high93.4Very high67 Ų6757.5 Ų57.531%0.31329%0.286SS..  trans-73.3134.2176.8-167.5-179.3167.500110.8I22 V27 L80I22-E25 HydrophobicContact CB-CB 4.34Å; I22-E25 VanDerWaalsContact O-CB 3.29Å; I22-E25 WeakPolarHBondContact O-CB 3.39Å; I22-E25 PolarHBondContact O-N 2.96Å; I22-E25 VanDerWaalsContact O-N 3.15Å; E25-V27 HydrophobicContact CB-CG1 4.21Å; E25-V27 HydrophobicContact CG-CG1 3.97Å; E25-L80 PolarHBondContact O-N 2.83Å
26E96.4Very high93.2Very high131 Ų13158 Ų5861%0.61229%0.289SS*.EExtended strand (participates in β ladder)trans-77.1122166.9-172.9178.5-161.200109.4G78E26-G78 CarbonylContact C-O 3.56Å; E26-G78 WeakPolarHBondContact CA-O 3.37Å
27V95.6Very high93Very high7 Ų761.3 Ų61.34%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-127.8151.6-174.8-60.20000111.1Q12 L17 E25 R77 G78 L92Q12-V27 HydrophobicContact CG-CB 4.23Å; Q12-V27 HydrophobicContact CG-CG1 4.29Å; L17-V27 HydrophobicContact CD1-CG2 4.19Å; L17-V27 HydrophobicContact CD2-CB 4.2Å; L17-V27 HydrophobicContact CD2-CG1 3.9Å; L17-V27 HydrophobicContact CD2-CG2 4.18Å; E25-V27 HydrophobicContact CB-CG1 4.21Å; E25-V27 HydrophobicContact CG-CG1 3.97Å; V27-R77 WeakPolarHBondContact O-CA 3.4Å; V27-G78 PolarHBondContact N-O 2.89Å; V27-G78 PolarHBondContact O-N 2.92Å; V27-G78 VanDerWaalsContact O-N 3.11Å; V27-L92 HydrophobicContact CG2-CD1 3.51Å; V27-L92 HydrophobicContact CG2-CD2 4.5Å
28K95.8Very high92.6Very high37 Ų3767.6 Ų67.616%0.16133%0.327CS..EExtended strand (participates in β ladder)trans-113127.8170.9-178.7177.558.5161.30109.1K9 G10 V11 Q12 E75 V76 R77K9-K28 PolarHBondContact O-NZ 3.04Å; G10-K28 WeakPolarHBondContact O-CE 3.43Å; V11-K28 CarbonylContact C-O 3.51Å; V11-K28 WeakPolarHBondContact CA-O 3.22Å; V11-K28 HydrophobicContact CG2-CD 4.27Å; V11-K28 HydrophobicContact CG2-CG 4.4Å; Q12-K28 PolarHBondContact N-O 2.83Å; K28-E75 HydrophobicContact CD-CG 4.28Å; K28-E75 HydrophobicContact CG-CG 4.05Å; K28-V76 WeakPolarHBondContact CA-O 3.05Å; K28-R77 HydrophobicContact CB-CG 4.15Å; K28-R77 HydrophobicContact CD-CG 4.41Å; K28-R77 HydrophobicContact CG-CG 4.01Å
29V95.7Very high92.3Very high0 Ų071.9 Ų71.90%035%0.346CS..EExtended strand (participates in β ladder)trans-131.2146.1179.661.60000110.1V14 L17 L47 L56 E75 V76 L92V14-V29 HydrophobicContact CG2-CG2 3.78Å; L17-V29 HydrophobicContact CD1-CB 4.24Å; L17-V29 HydrophobicContact CD1-CG2 4.37Å; V29-L47 HydrophobicContact CB-CD2 4.29Å; V29-L47 HydrophobicContact CG1-CD2 3.57Å; V29-L47 HydrophobicContact CG2-CD2 3.8Å; V29-L56 HydrophobicContact CG1-CD2 4.22Å; V29-L56 HydrophobicContact CG2-CD2 4.5Å; V29-E75 WeakPolarHBondContact O-CA 3.35Å; V29-V76 HydrophobicContact CG1-CB 3.9Å; V29-V76 PolarHBondContact N-O 3.09Å; V29-V76 PolarHBondContact O-N 3.19Å; V29-L92 HydrophobicContact CG1-CD2 3.44Å; V29-L92 VanDerWaalsContact CG1-CD2 3.44Å
30Q95.9Very high91.8Very high83 Ų8376 Ų7639%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-126.4144.5176.4-66.3176.7-17.600109.4V11 V74 E75V11-Q30 HydrophobicContact CG1-CB 4.02Å; V11-Q30 HydrophobicContact CG1-CG 3.86Å; V11-Q30 HydrophobicContact CG2-CG 4.15Å; Q30-V74 WeakPolarHBondContact CA-O 3.39Å; Q30-E75 HydrophobicContact CG-CB 3.99Å; Q30-E75 HydrophobicContact CG-CG 3.95Å; Q30-E75 PolarHBondContact NE2-OE2 3.24Å
31G95.2Very high91.5Very high7 Ų774.3 Ų74.37%0.07237%0.369CS..EExtended strand (participates in β ladder)trans176.1-166.4177.500000113.1S48 A73 V74G31-S48 WeakPolarHBondContact CA-O 3.45Å; G31-A73 WeakPolarHBondContact O-CA 3.39Å; G31-V74 PolarHBondContact N-O 2.81Å; G31-V74 VanDerWaalsContact N-O 3.09Å; G31-V74 PolarHBondContact O-N 2.76Å
32W94.4Very high91.3Very high104 Ų10475.4 Ų75.439%0.39437%0.371SS..EExtended strand (participates in β ladder)trans-109.3139.3178.5-61.3-87.2000111.6R34 S48 A72W32-R34 PolarHBondContact O-N 2.86Å; W32-S48 PolarHBondContact N-O 2.81Å; W32-S48 PolarHBondContact O-N 2.87Å; W32-S48 VanDerWaalsContact O-N 3.08Å; W32-A72 CarbonylContact C-O 3.51Å; W32-A72 VanDerWaalsContact CA-O 3.28Å; W32-A72 WeakPolarHBondContact CA-O 3.47Å
33V92.4Very high91.1Very high1 Ų170.7 Ų70.71%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-67.1116.9175.9-179.40000109.7F36 L45 F68 G71 A72 V74V33-F36 HydrophobicContact CG1-CB 4.28Å; V33-L45 HydrophobicContact CG1-CD1 4.44Å; V33-L45 HydrophobicContact CG1-CG 4.1Å; V33-L45 HydrophobicContact CG2-CD1 3.78Å; V33-L45 HydrophobicContact CG2-CD2 4.22Å; V33-L45 HydrophobicContact CG2-CG 4.08Å; V33-F68 HydrophobicContact CG2-CB 4.47Å; V33-G71 PolarHBondContact O-N 2.74Å; V33-A72 HydrophobicContact CG2-CB 4.41Å; V33-A72 PolarHBondContact N-O 2.82Å; V33-V74 HydrophobicContact CG2-CG1 3.99Å; V33-V74 HydrophobicContact CG2-CG2 4.11Å
34R90.1Very high91Very high42 Ų4269 Ų6916%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-88.5-43.1176-62.6-54.8-169.3-179.80.2112.3W32 Q46 V70 K130W32-R34 PolarHBondContact O-N 2.86Å; R34-Q46 HydrophobicContact CB-CB 4.25Å; R34-Q46 WeakPolarHBondContact CB-O 3.35Å; R34-Q46 PolarHBondContact N-O 3.1Å; R34-V70 VanDerWaalsContact O-CG1 3.26Å; R34-V70 WeakPolarHBondContact O-CG1 3.22Å; R34-K130 PolarHBondContact NH1-O 2.93Å
35H88.8Confident90.8Very high120 Ų12066.5 Ų66.556%0.55631%0.309SS*.EExtended strand (participates in β ladder)trans-146.2149.8177.2-67.4-72.8000109.4Q46H35-Q46 HydrophobicContact CB-CB 4.1Å; H35-Q46 HydrophobicContact CB-CG 4.21Å; H35-Q46 PolarHBondContact O-N 3.2Å
36F88.1Confident90.7Very high48 Ų4864.4 Ų64.421%0.21130%0.299CS..EExtended strand (participates in β ladder)trans-135.4122174.3-170.3-104.9000108.9V33 K38 F44 L45 F68V33-F36 HydrophobicContact CG1-CB 4.28Å; F36-K38 HydrophobicContact CD1-CG 4.07Å; F36-K38 HydrophobicContact CE1-CD 4.13Å; F36-K38 HydrophobicContact CE1-CG 3.46Å; F36-K38 VanDerWaalsContact CE1-CG 3.46Å; F36-K38 HydrophobicContact CZ-CG 4.32Å; F36-F44 WeakPolarHBondContact CA-O 3.48Å; F36-L45 HydrophobicContact CD2-CB 3.82Å; F36-L45 HydrophobicContact CD2-CD1 4.16Å; F36-L45 HydrophobicContact CD2-CG 4.16Å; F36-L45 HydrophobicContact CE2-CB 4.16Å; F36-L45 HydrophobicContact CE2-CD1 4.39Å; F36-F68 HydrophobicContact CD2-CB 4.4Å; F36-F68 HydrophobicContact CE2-CB 4.49Å; F36-F68 HydrophobicContact CE2-CD2 4.34Å
37R87.1Confident90.7Very high112 Ų11258.1 Ų58.142%0.42327%0.27SS..EExtended strand (participates in β ladder)trans-120.1115.1-178.6-66.7-172.3-81.8-167.3-1.9108.9S43 F44R37-S43 CarbonylContact O-C 3.55Å; R37-S43 WeakPolarHBondContact O-CA 3.13Å; R37-F44 HydrophobicContact CB-CB 4.49Å; R37-F44 PolarHBondContact N-O 2.96Å; R37-F44 PolarHBondContact O-N 2.87Å
38K85Confident90.7Very high136 Ų13658 Ų5859%0.59127%0.269SS*.EExtended strand (participates in β ladder)trans-86.2127.6174.7-67-174.4177.7-179.20109.9F36F36-K38 HydrophobicContact CD1-CG 4.07Å; F36-K38 HydrophobicContact CE1-CD 4.13Å; F36-K38 HydrophobicContact CE1-CG 3.46Å; F36-K38 VanDerWaalsContact CE1-CG 3.46Å; F36-K38 HydrophobicContact CZ-CG 4.32Å
39H84.1Confident90.6Very high108 Ų10857.4 Ų57.450%0.527%0.267SS..  trans-116175.8166.2-63.1-109.7000110.6S41 V42 F44H39-S41 VanDerWaalsContact C-N 3.34Å; H39-S41 PolarHBondContact O-N 2.91Å; H39-V42 CarbonylContact C-O 3.42Å; H39-V42 VanDerWaalsContact CA-O 3.31Å; H39-V42 WeakPolarHBondContact CA-O 3.17Å; H39-V42 WeakPolarHBondContact CB-O 3.12Å; H39-V42 PolarHBondContact N-O 2.89Å; H39-F44 AromaticContact CD2-CD2 3.43Å; H39-F44 VanDerWaalsContact CD2-CD2 3.43Å; H39-F44 WeakPolarHBondContact CD2-CD2 3.26Å; H39-F44 AromaticContact CD2-CE2 3.52Å; H39-F44 AromaticContact NE2-CD2 3.66Å; H39-F44 AromaticContact NE2-CE2 3.79Å
40K80.5Confident90.5Very high203 Ų20358.4 Ų58.488%0.88328%0.278SS*.SBendtrans-62-37.3-174.4-68.7-176.1177.9-179.20113.6
41S84.6Confident90.4Very high84 Ų8459 Ų5959%0.58728%0.283SS*.SBendtrans-112.2-31.9-174.850.90000114H39H39-S41 VanDerWaalsContact C-N 3.34Å; H39-S41 PolarHBondContact O-N 2.91Å
42V88.1Confident90.2Very high45 Ų4559 Ų5927%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-138.7155.2-177.4-680000109.7H39 F44 V59H39-V42 CarbonylContact C-O 3.42Å; H39-V42 VanDerWaalsContact CA-O 3.31Å; H39-V42 WeakPolarHBondContact CA-O 3.17Å; H39-V42 WeakPolarHBondContact CB-O 3.12Å; H39-V42 PolarHBondContact N-O 2.89Å; V42-F44 HydrophobicContact CG2-CE1 4.31Å; V42-F44 HydrophobicContact CG2-CE2 3.92Å; V42-F44 HydrophobicContact CG2-CZ 3.62Å; V42-V59 HydrophobicContact CB-CG1 4.34Å; V42-V59 HydrophobicContact CG1-CG1 4.35Å
43S90.3Very high90.1Very high16 Ų1655 Ų5511%0.11227%0.271CS..EExtended strand (participates in β ladder)trans-113.1151.8168.6-62.40000110R37 V60R37-S43 CarbonylContact O-C 3.55Å; R37-S43 WeakPolarHBondContact O-CA 3.13Å; S43-V60 PolarHBondContact N-O 2.94Å; S43-V60 PolarHBondContact O-N 3.41Å
44F91.6Very high90.1Very high45 Ų4559.2 Ų59.220%0.19729%0.287CS..EExtended strand (participates in β ladder)trans-117.6123.2177.7-57.5-78.2000109.8F36 R37 H39 V42 Q57 V58 V59F36-F44 WeakPolarHBondContact CA-O 3.48Å; R37-F44 HydrophobicContact CB-CB 4.49Å; R37-F44 PolarHBondContact N-O 2.96Å; R37-F44 PolarHBondContact O-N 2.87Å; H39-F44 AromaticContact CD2-CD2 3.43Å; H39-F44 VanDerWaalsContact CD2-CD2 3.43Å; H39-F44 WeakPolarHBondContact CD2-CD2 3.26Å; H39-F44 AromaticContact CD2-CE2 3.52Å; H39-F44 AromaticContact NE2-CD2 3.66Å; H39-F44 AromaticContact NE2-CE2 3.79Å; V42-F44 HydrophobicContact CG2-CE1 4.31Å; V42-F44 HydrophobicContact CG2-CE2 3.92Å; V42-F44 HydrophobicContact CG2-CZ 3.62Å; F44-Q57 HydrophobicContact CD1-CG 4.22Å; F44-V58 WeakPolarHBondContact CA-O 3.46Å; F44-V59 HydrophobicContact CD1-CG2 4.16Å; F44-V59 HydrophobicContact CE1-CG1 4.42Å; F44-V59 HydrophobicContact CE1-CG2 4.05Å
45L91.9Very high90.2Very high0 Ų059.2 Ų59.20%029%0.293CS..EExtended strand (participates in β ladder)trans-110.1127.2176.4-178.2158.8000108.3V33 F36 L47 V58 V60 F68V33-L45 HydrophobicContact CG1-CD1 4.44Å; V33-L45 HydrophobicContact CG1-CG 4.1Å; V33-L45 HydrophobicContact CG2-CD1 3.78Å; V33-L45 HydrophobicContact CG2-CD2 4.22Å; V33-L45 HydrophobicContact CG2-CG 4.08Å; F36-L45 HydrophobicContact CD2-CB 3.82Å; F36-L45 HydrophobicContact CD2-CD1 4.16Å; F36-L45 HydrophobicContact CD2-CG 4.16Å; F36-L45 HydrophobicContact CE2-CB 4.16Å; F36-L45 HydrophobicContact CE2-CD1 4.39Å; L45-L47 HydrophobicContact CD2-CB 3.7Å; L45-L47 HydrophobicContact CD2-CD1 4.04Å; L45-L47 HydrophobicContact CD2-CG 4.44Å; L45-V58 HydrophobicContact CB-CB 4.16Å; L45-V58 HydrophobicContact CD2-CB 4.24Å; L45-V58 HydrophobicContact CD2-CG2 4.13Å; L45-V58 PolarHBondContact N-O 2.72Å; L45-V58 PolarHBondContact O-N 2.84Å; L45-V60 HydrophobicContact CB-CG2 4Å; L45-F68 HydrophobicContact CD1-CB 4.31Å; L45-F68 HydrophobicContact CD1-CG 4.34Å
46Q93.8Very high90.6Very high23 Ų2353.5 Ų53.511%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-94.1110.3172.6-70.1-68-33.800108.6R34 H35 S55R34-Q46 HydrophobicContact CB-CB 4.25Å; R34-Q46 WeakPolarHBondContact CB-O 3.35Å; R34-Q46 PolarHBondContact N-O 3.1Å; H35-Q46 HydrophobicContact CB-CB 4.1Å; H35-Q46 HydrophobicContact CB-CG 4.21Å; H35-Q46 PolarHBondContact O-N 3.2Å; Q46-S55 PolarHBondContact OE1-OG 3.38Å
47L95.2Very high90.9Very high0 Ų051.8 Ų51.80%026%0.259CS..EExtended strand (participates in β ladder)trans-101.3133.8-175.4-170.366.8000110.5V29 L45 S55 L56 V58 V74 V76V29-L47 HydrophobicContact CB-CD2 4.29Å; V29-L47 HydrophobicContact CG1-CD2 3.57Å; V29-L47 HydrophobicContact CG2-CD2 3.8Å; L45-L47 HydrophobicContact CD2-CB 3.7Å; L45-L47 HydrophobicContact CD2-CD1 4.04Å; L45-L47 HydrophobicContact CD2-CG 4.44Å; L47-S55 CarbonylContact O-C 3.5Å; L47-S55 VanDerWaalsContact O-CA 3.27Å; L47-S55 WeakPolarHBondContact O-CA 3.42Å; L47-S55 WeakPolarHBondContact O-CB 3.27Å; L47-L56 PolarHBondContact N-O 3Å; L47-L56 PolarHBondContact O-N 3.18Å; L47-V58 HydrophobicContact CB-CG2 3.97Å; L47-V58 HydrophobicContact CD2-CG2 4.33Å; L47-V74 HydrophobicContact CD1-CG2 3.39Å; L47-V76 HydrophobicContact CD2-CG2 4.21Å
48S95.2Very high91.3Very high5 Ų546.4 Ų46.44%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-135.7131.2174.7176.30000109.9G31 W32 G50G31-S48 WeakPolarHBondContact CA-O 3.45Å; W32-S48 PolarHBondContact N-O 2.81Å; W32-S48 PolarHBondContact O-N 2.87Å; W32-S48 VanDerWaalsContact O-N 3.08Å; S48-G50 VanDerWaalsContact C-N 3.35Å; S48-G50 PolarHBondContact OG-N 2.97Å
49D95Very high91.8Very high23 Ų2341 Ų4112%0.12322%0.217CC..  trans-91.60.7171.763.42000112.5S13 V14 L51S13-D49 VanDerWaalsContact CA-OD2 3.28Å; S13-D49 WeakPolarHBondContact CA-OD2 3.28Å; S13-D49 VanDerWaalsContact CB-OD2 3.24Å; S13-D49 WeakPolarHBondContact CB-OD2 3.43Å; V14-D49 HydrophobicContact CG2-CB 4.26Å; V14-D49 PolarHBondContact N-OD2 3.27Å; D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 2.92Å; D49-L51 WeakPolarHBondContact OD1-CB 3.46Å; D49-L51 PolarHBondContact OD1-N 3.23Å
50G93.5Very high92.1Very high21 Ų2136 Ų3622%0.21619%0.194CC..SBendtrans76.53.3-177.400000115.4S48 R139S48-G50 VanDerWaalsContact C-N 3.35Å; S48-G50 PolarHBondContact OG-N 2.97Å; G50-R139 PolarHBondContact O-NH1 3.42Å
51L93Very high92.2Very high97 Ų9729 Ų2951%0.50817%0.17SC..SBendtrans-91.1-7.1-179.7-60.1179.7000113.5D49 R139D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 2.92Å; D49-L51 WeakPolarHBondContact OD1-CB 3.46Å; D49-L51 PolarHBondContact OD1-N 3.23Å; L51-R139 WeakPolarHBondContact O-CD 3.42Å
52S91.9Very high91.8Very high7 Ų732.1 Ų32.15%0.04917%0.173CC..SBendtrans-138.7154.7179.5-177.50000110.7R54 R139S52-R54 VanDerWaalsContact C-N 3.27Å; S52-R54 PolarHBondContact OG-N 3.14Å; S52-R54 VanDerWaalsContact OG-N 3.14Å; S52-R139 PolarHBondContact O-NH2 2.9Å
53A92Very high91Very high18 Ų1837.8 Ų37.815%0.14920%0.196CC..SBendtrans-63.9-36.316600000111.3D287 M291A53-D287 HydrophobicContact CB-CB 3.66Å; A53-M291 HydrophobicContact CB-CE 3.82Å; A53-M291 HydrophobicContact CB-SD 4.37Å; A53-M291 WeakPolarHBondContact O-CE 3.39Å
54R91.5Very high89.9Confident91 Ų9138.4 Ų38.434%0.34320%0.202SC..SBendtrans-82.7143.8-178.8-57-174-591703.3111.6L18 S52 D287L18-R54 HydrophobicContact CD1-CB 3.6Å; L18-R54 PolarHBondContact O-NH2 3.19Å; S52-R54 VanDerWaalsContact C-N 3.27Å; S52-R54 PolarHBondContact OG-N 3.14Å; S52-R54 VanDerWaalsContact OG-N 3.14Å; R54-D287 IonicContact NE-OD2 2.85Å
55S94.1Very high88.7Confident41 Ų4140.1 Ų40.129%0.28722%0.218SC..PPolyproline II helixtrans-95.1154.1168.245.80000111.5Q46 L47Q46-S55 PolarHBondContact OE1-OG 3.38Å; L47-S55 CarbonylContact O-C 3.5Å; L47-S55 VanDerWaalsContact O-CA 3.27Å; L47-S55 WeakPolarHBondContact O-CA 3.42Å; L47-S55 WeakPolarHBondContact O-CB 3.27Å
56L95.7Very high87.3Confident0 Ų043.2 Ų43.20%024%0.239CC..EExtended strand (participates in β ladder)trans-86.9127.2169.2178.663.8000108.8V14 L17 L18 V29 L47 L80 L92V14-L56 HydrophobicContact CG1-CB 3.9Å; V14-L56 HydrophobicContact CG2-CB 4.07Å; L17-L56 HydrophobicContact CD1-CD2 3.87Å; L18-L56 HydrophobicContact CD2-CD1 3.92Å; V29-L56 HydrophobicContact CG1-CD2 4.22Å; V29-L56 HydrophobicContact CG2-CD2 4.5Å; L47-L56 PolarHBondContact N-O 3Å; L47-L56 PolarHBondContact O-N 3.18Å; L56-L80 HydrophobicContact CD1-CD1 4.4Å; L56-L92 HydrophobicContact CD2-CB 4.04Å; L56-L92 HydrophobicContact CD2-CD2 4.05Å; L56-L92 HydrophobicContact CG-CB 4.32Å
57Q95.9Very high86Confident12 Ų1248.3 Ų48.36%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-76.4128.7168.7179.7163.5-87.700109.7F44 Q88 D91 L92F44-Q57 HydrophobicContact CD1-CG 4.22Å; Q57-Q88 HydrophobicContact CB-CG 4.41Å; Q57-D91 VanDerWaalsContact CB-OD1 3.23Å; Q57-D91 WeakPolarHBondContact CB-OD1 3.02Å; Q57-D91 WeakPolarHBondContact CG-OD1 3.44Å; Q57-D91 VanDerWaalsContact NE2-CG 3.32Å; Q57-D91 PolarHBondContact NE2-OD1 2.81Å; Q57-D91 PolarHBondContact NE2-OD2 2.87Å; Q57-D91 WeakPolarHBondContact O-CA 3.42Å; Q57-L92 PolarHBondContact O-N 3.33Å
58V95.3Very high85.1Confident0 Ų048.9 Ų48.90%027%0.265CS..EExtended strand (participates in β ladder)trans-110.9122.2173.9-1780000108F44 L45 L47 V60 V76 L92 A94F44-V58 WeakPolarHBondContact CA-O 3.46Å; L45-V58 HydrophobicContact CB-CB 4.16Å; L45-V58 HydrophobicContact CD2-CB 4.24Å; L45-V58 HydrophobicContact CD2-CG2 4.13Å; L45-V58 PolarHBondContact N-O 2.72Å; L45-V58 PolarHBondContact O-N 2.84Å; L47-V58 HydrophobicContact CB-CG2 3.97Å; L47-V58 HydrophobicContact CD2-CG2 4.33Å; V58-V60 HydrophobicContact CG1-CG2 4.03Å; V58-V76 HydrophobicContact CG1-CG1 3.77Å; V58-V76 HydrophobicContact CG1-CG2 4.4Å; V58-L92 CarbonylContact C-O 3.56Å; V58-L92 WeakPolarHBondContact CA-O 3.42Å; V58-L92 HydrophobicContact CG2-CB 4.34Å; V58-L92 HydrophobicContact CG2-CD2 4.32Å; V58-A94 HydrophobicContact CG1-CB 3.76Å
59V94.3Very high84.4Confident23 Ų2351.6 Ų51.614%0.13928%0.28CS..EExtended strand (participates in β ladder)trans-87.7119.6173.7-176.10000107.8V42 F44 D91 L92 A94V42-V59 HydrophobicContact CB-CG1 4.34Å; V42-V59 HydrophobicContact CG1-CG1 4.35Å; F44-V59 HydrophobicContact CD1-CG2 4.16Å; F44-V59 HydrophobicContact CE1-CG1 4.42Å; F44-V59 HydrophobicContact CE1-CG2 4.05Å; V59-D91 HydrophobicContact CG2-CB 4.01Å; V59-L92 PolarHBondContact N-O 3.05Å; V59-A94 WeakPolarHBondContact O-CB 3.45Å; V59-A94 PolarHBondContact O-N 2.94Å
60V91.3Very high83.9Confident2 Ų253 Ų531%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-111.8119-172.3-176.60000108.9S43 L45 V58 A64 I97S43-V60 PolarHBondContact N-O 2.94Å; S43-V60 PolarHBondContact O-N 3.41Å; L45-V60 HydrophobicContact CB-CG2 4Å; V58-V60 HydrophobicContact CG1-CG2 4.03Å; V60-A64 HydrophobicContact CG1-CB 3.17Å; V60-I97 HydrophobicContact CB-CD1 4.14Å; V60-I97 HydrophobicContact CG1-CD1 3.61Å; V60-I97 HydrophobicContact CG2-CD1 3.54Å
61P82.8Confident83.7Confident57 Ų5752.8 Ų52.837%0.3729%0.287SS..EExtended strand (participates in β ladder)trans-58.2156.4173.6-23.533.8000112.3E63 A64P61-E63 WeakPolarHBondContact CB-OE2 3.5Å; P61-E63 PolarHBondContact O-N 3.08Å; P61-E63 VanDerWaalsContact O-N 3.15Å; P61-A64 WeakPolarHBondContact O-CB 3.44Å; P61-A64 PolarHBondContact O-N 2.66Å; P61-A64 VanDerWaalsContact O-N 3.15Å
62K75.4Confident83.6Confident149 Ų14948.2 Ų48.265%0.64826%0.262SS*.THydrogen-bonded Turntrans-60.7-28.2-174.1-174.2179.5174.3-173.40112.9A64K62-A64 PolarHBondContact O-N 3.45Å
63E71.4Confident83.7Confident164 Ų16448.9 Ų48.977%0.76627%0.269SS*.THydrogen-bonded Turntrans-75.7-10.5-176.5-58.771.4-152.200112.8P61P61-E63 WeakPolarHBondContact CB-OE2 3.5Å; P61-E63 PolarHBondContact O-N 3.08Å; P61-E63 VanDerWaalsContact O-N 3.15Å
64A67.3Low83.8Confident29 Ų2948.1 Ų48.124%0.2426%0.262CS..SBendtrans-69.3147.4-17700000112.6V60 P61 K62 S66V60-A64 HydrophobicContact CG1-CB 3.17Å; P61-A64 WeakPolarHBondContact O-CB 3.44Å; P61-A64 PolarHBondContact O-N 2.66Å; P61-A64 VanDerWaalsContact O-N 3.15Å; K62-A64 PolarHBondContact O-N 3.45Å; A64-S66 PolarHBondContact O-N 2.78Å
65P65.4Low84Confident80 Ų8045 Ų4552%0.51925%0.252SS..  trans-52.6138.4-177-26.133.2000113.5H67 F68P65-H67 PolarHBondContact O-N 3.27Å; P65-F68 HydrophobicContact CB-CE2 4.4Å; P65-F68 HydrophobicContact CB-CZ 4.35Å; P65-F68 VanDerWaalsContact O-CD2 3.31Å; P65-F68 WeakPolarHBondContact O-CD2 3.39Å; P65-F68 WeakPolarHBondContact O-CE2 3.48Å
66S63.5Low84Confident65 Ų6543.1 Ų43.146%0.45524%0.238SC..SBendtrans-76.9-3-169.282.90000115.5A64A64-S66 PolarHBondContact O-N 2.78Å
67H66Low84Confident131 Ų13147.6 Ų47.661%0.60626%0.255SS*.  trans-106.835.9-161.6-58.4-70.1000115P65 N69P65-H67 PolarHBondContact O-N 3.27Å; H67-N69 PolarHBondContact O-N 2.86Å
68F77Confident84Confident11 Ų1147 Ų475%0.04825%0.252CS..  trans-87.787172.9-59.1-62.8000111.1V33 F36 L45 P65 V74 I97 L99V33-F68 HydrophobicContact CG2-CB 4.47Å; F36-F68 HydrophobicContact CD2-CB 4.4Å; F36-F68 HydrophobicContact CE2-CB 4.49Å; F36-F68 HydrophobicContact CE2-CD2 4.34Å; L45-F68 HydrophobicContact CD1-CB 4.31Å; L45-F68 HydrophobicContact CD1-CG 4.34Å; P65-F68 HydrophobicContact CB-CE2 4.4Å; P65-F68 HydrophobicContact CB-CZ 4.35Å; P65-F68 VanDerWaalsContact O-CD2 3.31Å; P65-F68 WeakPolarHBondContact O-CD2 3.39Å; P65-F68 WeakPolarHBondContact O-CE2 3.48Å; F68-V74 HydrophobicContact CD1-CG1 3.65Å; F68-V74 HydrophobicContact CE1-CG1 3.93Å; F68-I97 HydrophobicContact CD1-CG2 4.38Å; F68-I97 HydrophobicContact CE1-CG2 3.52Å; F68-I97 HydrophobicContact CE2-CB 4.44Å; F68-I97 HydrophobicContact CE2-CD1 4.47Å; F68-I97 HydrophobicContact CE2-CG2 4.02Å; F68-I97 HydrophobicContact CZ-CB 3.86Å; F68-I97 HydrophobicContact CZ-CG2 3.31Å; F68-L99 HydrophobicContact CD1-CD1 4.49Å; F68-L99 HydrophobicContact CE1-CB 4.41Å
69N80.1Confident84.1Confident63 Ų6351.1 Ų51.134%0.33727%0.273SS..  trans-66.1144.5174.6-70.4-46.7000111.1H67 G71 A72 D102 F103H67-N69 PolarHBondContact O-N 2.86Å; N69-G71 PolarHBondContact O-N 3.08Å; N69-A72 WeakPolarHBondContact O-CB 3.44Å; N69-A72 PolarHBondContact O-N 2.9Å; N69-D102 PolarHBondContact ND2-OD1 3.22Å; N69-F103 HydrophobicContact CB-CB 4.41Å
70V85.6Confident84.2Confident53 Ų5350 Ų5032%0.32127%0.267SS..THydrogen-bonded Turntrans-58.9126.1168.2171.70000108.4R34 F103R34-V70 VanDerWaalsContact O-CG1 3.26Å; R34-V70 WeakPolarHBondContact O-CG1 3.22Å; V70-F103 WeakPolarHBondContact O-CD1 3.41Å
71G88.4Confident84.4Confident16 Ų1653.5 Ų53.517%0.16528%0.283CS..THydrogen-bonded Turntrans99.5-14.1-173.300000114.5V33 N69 F103V33-G71 PolarHBondContact O-N 2.74Å; N69-G71 PolarHBondContact O-N 3.08Å; G71-F103 WeakPolarHBondContact O-CD2 3.23Å
72A91.1Very high85Confident0 Ų056.8 Ų56.80%029%0.293CS..  trans-64.7141.6178.100000111.3W32 V33 N69 L99 G101 F103W32-A72 CarbonylContact C-O 3.51Å; W32-A72 VanDerWaalsContact CA-O 3.28Å; W32-A72 WeakPolarHBondContact CA-O 3.47Å; V33-A72 HydrophobicContact CG2-CB 4.41Å; V33-A72 PolarHBondContact N-O 2.82Å; N69-A72 WeakPolarHBondContact O-CB 3.44Å; N69-A72 PolarHBondContact O-N 2.9Å; A72-L99 HydrophobicContact CB-CD1 3.88Å; A72-G101 WeakPolarHBondContact CA-O 3.47Å; A72-F103 HydrophobicContact CB-CB 4.4Å
73A94.6Very high85.9Confident22 Ų2250.2 Ų50.218%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-87127.3173.100000109.5G31 I100 G101G31-A73 WeakPolarHBondContact O-CA 3.39Å; A73-I100 HydrophobicContact CB-CB 4.27Å; A73-I100 PolarHBondContact O-N 3.4Å; A73-G101 PolarHBondContact N-O 2.82Å; A73-G101 PolarHBondContact O-N 2.69Å
74V94.2Very high86.7Confident2 Ų247.5 Ų47.51%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-132.8150.6-177.7-60.10000111.4Q30 G31 V33 L47 F68 V76 I97 N98 L99Q30-V74 WeakPolarHBondContact CA-O 3.39Å; G31-V74 PolarHBondContact N-O 2.81Å; G31-V74 VanDerWaalsContact N-O 3.09Å; G31-V74 PolarHBondContact O-N 2.76Å; V33-V74 HydrophobicContact CG2-CG1 3.99Å; V33-V74 HydrophobicContact CG2-CG2 4.11Å; L47-V74 HydrophobicContact CD1-CG2 3.39Å; F68-V74 HydrophobicContact CD1-CG1 3.65Å; F68-V74 HydrophobicContact CE1-CG1 3.93Å; V74-V76 HydrophobicContact CG2-CG2 4.15Å; V74-I97 HydrophobicContact CB-CG2 4.34Å; V74-N98 CarbonylContact C-O 3.6Å; V74-N98 VanDerWaalsContact CA-O 3.27Å; V74-N98 WeakPolarHBondContact CA-O 3.22Å; V74-L99 HydrophobicContact CG1-CD1 4.28Å
75E94.9Very high87.6Confident26 Ų2647.9 Ų47.912%0.12128%0.278CS..EExtended strand (participates in β ladder)trans-107.3131.6162.5177.7176.1101.700108.2K28 V29 Q30 R77 I97 N98 I100K28-E75 HydrophobicContact CD-CG 4.28Å; K28-E75 HydrophobicContact CG-CG 4.05Å; V29-E75 WeakPolarHBondContact O-CA 3.35Å; Q30-E75 HydrophobicContact CG-CB 3.99Å; Q30-E75 HydrophobicContact CG-CG 3.95Å; Q30-E75 PolarHBondContact NE2-OE2 3.24Å; E75-R77 IonicContact OE1-NE 3.25Å; E75-I97 CarbonylContact O-C 3.57Å; E75-I97 WeakPolarHBondContact O-CA 3.42Å; E75-N98 HydrophobicContact CB-CB 4.33Å; E75-N98 PolarHBondContact N-O 3.36Å; E75-N98 PolarHBondContact O-N 2.96Å; E75-I100 HydrophobicContact CB-CD1 4.04Å; E75-I100 HydrophobicContact CB-CG1 4.09Å
76V94.7Very high88.6Confident0 Ų054.4 Ų54.40%030%0.298CS..EExtended strand (participates in β ladder)trans-122.8130.9178.5-177.50000108.9K28 V29 L47 V58 V74 L92 A94 E96 I97K28-V76 WeakPolarHBondContact CA-O 3.05Å; V29-V76 HydrophobicContact CG1-CB 3.9Å; V29-V76 PolarHBondContact N-O 3.09Å; V29-V76 PolarHBondContact O-N 3.19Å; L47-V76 HydrophobicContact CD2-CG2 4.21Å; V58-V76 HydrophobicContact CG1-CG1 3.77Å; V58-V76 HydrophobicContact CG1-CG2 4.4Å; V74-V76 HydrophobicContact CG2-CG2 4.15Å; V76-L92 HydrophobicContact CB-CD2 4.18Å; V76-L92 HydrophobicContact CG1-CD2 3.6Å; V76-L92 HydrophobicContact CG1-CG 4.31Å; V76-A94 HydrophobicContact CG1-CB 3.82Å; V76-E96 WeakPolarHBondContact CA-O 3.4Å; V76-I97 HydrophobicContact CG1-CG1 4.27Å; V76-I97 HydrophobicContact CG2-CG1 4.31Å; V76-I97 HydrophobicContact CG2-CG2 4.13Å
77R95.5Very high89.6Confident95 Ų9559.1 Ų59.136%0.35831%0.313SS..EExtended strand (participates in β ladder)trans-110.5143.7164.2-64.4176.1179-116.19.1109.1V27 K28 E75 A94 S95 E96V27-R77 WeakPolarHBondContact O-CA 3.4Å; K28-R77 HydrophobicContact CB-CG 4.15Å; K28-R77 HydrophobicContact CD-CG 4.41Å; K28-R77 HydrophobicContact CG-CG 4.01Å; E75-R77 IonicContact OE1-NE 3.25Å; R77-A94 WeakPolarHBondContact O-CA 3.25Å; R77-S95 PolarHBondContact O-N 2.84Å; R77-S95 PolarHBondContact O-OG 3.02Å; R77-S95 VanDerWaalsContact O-OG 3.1Å; R77-E96 HydrophobicContact CB-CB 4.25Å; R77-E96 WeakPolarHBondContact CD-OE2 3.35Å; R77-E96 PolarHBondContact N-O 3.48Å; R77-E96 PolarHBondContact O-N 2.76Å
78G95.7Very high90.7Very high0 Ų055 Ų550%029%0.294CS..EExtended strand (participates in β ladder)trans175.1-179.4-177.800000113.3E26 V27 L92 A93E26-G78 CarbonylContact C-O 3.56Å; E26-G78 WeakPolarHBondContact CA-O 3.37Å; V27-G78 PolarHBondContact N-O 2.89Å; V27-G78 PolarHBondContact O-N 2.92Å; V27-G78 VanDerWaalsContact O-N 3.11Å; G78-L92 VanDerWaalsContact C-CD1 3.42Å; G78-A93 CarbonylContact C-O 3.6Å; G78-A93 WeakPolarHBondContact CA-O 3.35Å
79I97.2Very high91.3Very high85 Ų8560.8 Ų60.844%0.43632%0.321SS..EExtended strand (participates in β ladder)trans-99.9127.7179.5-58.6177.9000109.1A93I79-A93 PolarHBondContact N-O 3.18Å; I79-A93 PolarHBondContact O-N 3.26Å
80L96.8Very high92Very high0 Ų058.6 Ų58.60%031%0.31CS..EExtended strand (participates in β ladder)trans-71.8128.2173.1-166.774.2000109.3G24 E25 L56 V90G24-L80 PolarHBondContact N-O 3.11Å; E25-L80 PolarHBondContact O-N 2.83Å; L56-L80 HydrophobicContact CD1-CD1 4.4Å; L80-V90 HydrophobicContact CD1-CB 4.1Å; L80-V90 HydrophobicContact CD1-CG2 4.11Å; L80-V90 HydrophobicContact CG-CB 4.3Å
81Q96Very high92.5Very high75 Ų7556.5 Ų56.535%0.3530%0.297SS..EExtended strand (participates in β ladder)trans-133.1157.8-176.465.5-179.517.500111.7S83 V90 D91Q81-S83 PolarHBondContact O-N 3.28Å; Q81-V90 CarbonylContact O-C 3.52Å; Q81-V90 VanDerWaalsContact O-CA 3.28Å; Q81-V90 WeakPolarHBondContact O-CA 3.41Å; Q81-D91 HydrophobicContact CG-CB 4.12Å; Q81-D91 WeakPolarHBondContact CG-O 3.44Å; Q81-D91 PolarHBondContact N-O 3.41Å; Q81-D91 PolarHBondContact O-N 3.26Å
82Q95.2Very high92.9Very high127 Ų12755.7 Ų55.759%0.59329%0.289SS*.EExtended strand (participates in β ladder)trans-61.7128.3168.8-172.664.434.800108.9E89Q82-E89 VanDerWaalsContact CD-O 3.26Å; Q82-E89 PolarHBondContact NE2-O 3.11Å
83S93.1Very high93.1Very high11 Ų1157.1 Ų57.18%0.07730%0.301CS..  trans-67.8138.5176.6162.50000110.6Q81 G85 Q88 E89 D91Q81-S83 PolarHBondContact O-N 3.28Å; S83-G85 VanDerWaalsContact C-N 3.31Å; S83-G85 PolarHBondContact OG-N 3.46Å; S83-G85 PolarHBondContact OG-O 3.44Å; S83-G85 VanDerWaalsContact OG-O 3.11Å; S83-Q88 WeakPolarHBondContact CB-O 3.28Å; S83-Q88 PolarHBondContact OG-NE2 3.17Å; S83-Q88 PolarHBondContact OG-O 2.97Å; S83-E89 WeakPolarHBondContact CB-O 3.24Å; S83-E89 PolarHBondContact N-O 2.92Å; S83-D91 WeakPolarHBondContact CA-OD2 3.42Å; S83-D91 WeakPolarHBondContact CB-OD2 3.5Å
84A88.9Confident93.1Very high107 Ų10756.5 Ų56.588%0.88430%0.296SS*.SBendtrans-80.9-14.5169.400000112.5
85G86.2Confident93.1Very high36 Ų3660.4 Ų60.437%0.37132%0.323SS..SBendtrans-86.9154.9178.900000112.7S83S83-G85 VanDerWaalsContact C-N 3.31Å; S83-G85 PolarHBondContact OG-N 3.46Å; S83-G85 PolarHBondContact OG-O 3.44Å; S83-G85 VanDerWaalsContact OG-O 3.11Å
86K86Confident93Very high218 Ų21863.3 Ų63.395%0.94834%0.337SS*.SBendtrans-82.7-13178.3-61.8-176.1-179.8-1780114.1
87E84.8Confident92.8Very high163 Ų16364.3 Ų64.376%0.76234%0.342SS*.SBendtrans-84.7-15.2-173.6-67.5-179.5175.400113.3
88Q88.3Confident92.6Very high44 Ų4462.6 Ų62.621%0.20634%0.34CS..  trans-151.2153.518066.8-75.3-17.400111Q57 S83 D91Q57-Q88 HydrophobicContact CB-CG 4.41Å; S83-Q88 WeakPolarHBondContact CB-O 3.28Å; S83-Q88 PolarHBondContact OG-NE2 3.17Å; S83-Q88 PolarHBondContact OG-O 2.97Å; Q88-D91 WeakPolarHBondContact CG-OD1 3.33Å; Q88-D91 PolarHBondContact NE2-OD1 2.99Å; Q88-D91 VanDerWaalsContact NE2-OD1 3.13Å
89E91.1Very high92.4Very high133 Ų13366.4 Ų66.462%0.62136%0.36SS*.SBendtrans-82.8-36.9-178-64.7174.117100112.3Q82 S83Q82-E89 VanDerWaalsContact CD-O 3.26Å; Q82-E89 PolarHBondContact NE2-O 3.11Å; S83-E89 WeakPolarHBondContact CB-O 3.24Å; S83-E89 PolarHBondContact N-O 2.92Å
90V94.6Very high92.2Very high18 Ų1867.6 Ų67.611%0.10937%0.366CS..EExtended strand (participates in β ladder)trans-130.9146.9-176.4-63.60000111.7L18 V23 L80 Q81L18-V90 HydrophobicContact CD2-CG2 3.96Å; V23-V90 HydrophobicContact CG2-CG1 4.36Å; L80-V90 HydrophobicContact CD1-CB 4.1Å; L80-V90 HydrophobicContact CD1-CG2 4.11Å; L80-V90 HydrophobicContact CG-CB 4.3Å; Q81-V90 CarbonylContact O-C 3.52Å; Q81-V90 VanDerWaalsContact O-CA 3.28Å; Q81-V90 WeakPolarHBondContact O-CA 3.41Å
91D95.5Very high92Very high8 Ų868.9 Ų68.94%0.04338%0.379CS..EExtended strand (participates in β ladder)trans-121.9156.9171.5-69-32.9000109.5Q57 V59 Q81 S83 Q88Q57-D91 VanDerWaalsContact CB-OD1 3.23Å; Q57-D91 WeakPolarHBondContact CB-OD1 3.02Å; Q57-D91 WeakPolarHBondContact CG-OD1 3.44Å; Q57-D91 VanDerWaalsContact NE2-CG 3.32Å; Q57-D91 PolarHBondContact NE2-OD1 2.81Å; Q57-D91 PolarHBondContact NE2-OD2 2.87Å; Q57-D91 WeakPolarHBondContact O-CA 3.42Å; V59-D91 HydrophobicContact CG2-CB 4.01Å; Q81-D91 HydrophobicContact CG-CB 4.12Å; Q81-D91 WeakPolarHBondContact CG-O 3.44Å; Q81-D91 PolarHBondContact N-O 3.41Å; Q81-D91 PolarHBondContact O-N 3.26Å; S83-D91 WeakPolarHBondContact CA-OD2 3.42Å; S83-D91 WeakPolarHBondContact CB-OD2 3.5Å; Q88-D91 WeakPolarHBondContact CG-OD1 3.33Å; Q88-D91 PolarHBondContact NE2-OD1 2.99Å; Q88-D91 VanDerWaalsContact NE2-OD1 3.13Å
92L96.6Very high91.6Very high0 Ų070.3 Ų70.30%039%0.39CS..EExtended strand (participates in β ladder)trans-104.8111.9169.8-179.962000109.8V27 V29 L56 Q57 V58 V59 V76 G78 A94V27-L92 HydrophobicContact CG2-CD1 3.51Å; V27-L92 HydrophobicContact CG2-CD2 4.5Å; V29-L92 HydrophobicContact CG1-CD2 3.44Å; V29-L92 VanDerWaalsContact CG1-CD2 3.44Å; L56-L92 HydrophobicContact CD2-CB 4.04Å; L56-L92 HydrophobicContact CD2-CD2 4.05Å; L56-L92 HydrophobicContact CG-CB 4.32Å; Q57-L92 PolarHBondContact O-N 3.33Å; V58-L92 CarbonylContact C-O 3.56Å; V58-L92 WeakPolarHBondContact CA-O 3.42Å; V58-L92 HydrophobicContact CG2-CB 4.34Å; V58-L92 HydrophobicContact CG2-CD2 4.32Å; V59-L92 PolarHBondContact N-O 3.05Å; V76-L92 HydrophobicContact CB-CD2 4.18Å; V76-L92 HydrophobicContact CG1-CD2 3.6Å; V76-L92 HydrophobicContact CG1-CG 4.31Å; G78-L92 VanDerWaalsContact C-CD1 3.42Å; L92-A94 PolarHBondContact O-N 3.28Å
93A95.6Very high91.1Very high29 Ų2965.6 Ų65.624%0.2437%0.367CS..EExtended strand (participates in β ladder)trans-77.2104.1172.300000109.4G78 I79 S95G78-A93 CarbonylContact C-O 3.6Å; G78-A93 WeakPolarHBondContact CA-O 3.35Å; I79-A93 PolarHBondContact N-O 3.18Å; I79-A93 PolarHBondContact O-N 3.26Å; A93-S95 PolarHBondContact O-N 2.84Å
94A95Very high90.7Very high9 Ų971.3 Ų71.37%0.07439%0.393CS..EExtended strand (participates in β ladder)trans-70.9125.4-174.500000111.7V58 V59 V76 R77 L92 I97V58-A94 HydrophobicContact CG1-CB 3.76Å; V59-A94 WeakPolarHBondContact O-CB 3.45Å; V59-A94 PolarHBondContact O-N 2.94Å; V76-A94 HydrophobicContact CG1-CB 3.82Å; R77-A94 WeakPolarHBondContact O-CA 3.25Å; L92-A94 PolarHBondContact O-N 3.28Å; A94-I97 HydrophobicContact CB-CD1 3.79Å; A94-I97 HydrophobicContact CB-CG1 3.77Å
95S93.2Very high90.3Very high85 Ų8571.6 Ų71.659%0.59437%0.371SS*.EExtended strand (participates in β ladder)trans-91.3-31.9166.452.90000111.5R77 A93R77-S95 PolarHBondContact O-N 2.84Å; R77-S95 PolarHBondContact O-OG 3.02Å; R77-S95 VanDerWaalsContact O-OG 3.1Å; A93-S95 PolarHBondContact O-N 2.84Å
96E92.2Very high90.2Very high87 Ų8777.3 Ų77.341%0.40739%0.392SS..EExtended strand (participates in β ladder)trans-146.1138.9-179.1-170.1-173.5173.600110.2V76 R77 N98V76-E96 WeakPolarHBondContact CA-O 3.4Å; R77-E96 HydrophobicContact CB-CB 4.25Å; R77-E96 WeakPolarHBondContact CD-OE2 3.35Å; R77-E96 PolarHBondContact N-O 3.48Å; R77-E96 PolarHBondContact O-N 2.76Å; E96-N98 PolarHBondContact OE1-ND2 3.3Å; E96-N98 PolarHBondContact OE1-OD1 2.88Å
97I92Very high90.1Very high21 Ų2172.8 Ų72.811%0.10838%0.378CS..EExtended strand (participates in β ladder)trans-134.9115.4174.9-51.8178.6000109.3V60 F68 V74 E75 V76 A94V60-I97 HydrophobicContact CB-CD1 4.14Å; V60-I97 HydrophobicContact CG1-CD1 3.61Å; V60-I97 HydrophobicContact CG2-CD1 3.54Å; F68-I97 HydrophobicContact CD1-CG2 4.38Å; F68-I97 HydrophobicContact CE1-CG2 3.52Å; F68-I97 HydrophobicContact CE2-CB 4.44Å; F68-I97 HydrophobicContact CE2-CD1 4.47Å; F68-I97 HydrophobicContact CE2-CG2 4.02Å; F68-I97 HydrophobicContact CZ-CB 3.86Å; F68-I97 HydrophobicContact CZ-CG2 3.31Å; V74-I97 HydrophobicContact CB-CG2 4.34Å; E75-I97 CarbonylContact O-C 3.57Å; E75-I97 WeakPolarHBondContact O-CA 3.42Å; V76-I97 HydrophobicContact CG1-CG1 4.27Å; V76-I97 HydrophobicContact CG2-CG1 4.31Å; V76-I97 HydrophobicContact CG2-CG2 4.13Å; A94-I97 HydrophobicContact CB-CD1 3.79Å; A94-I97 HydrophobicContact CB-CG1 3.77Å
98N91.6Very high90.3Very high58 Ų5867 Ų6731%0.3135%0.349SS..EExtended strand (participates in β ladder)trans-104.8126.5179.2-67.4-40.4000110.3V74 E75 E96 I100V74-N98 CarbonylContact C-O 3.6Å; V74-N98 VanDerWaalsContact CA-O 3.27Å; V74-N98 WeakPolarHBondContact CA-O 3.22Å; E75-N98 HydrophobicContact CB-CB 4.33Å; E75-N98 PolarHBondContact N-O 3.36Å; E75-N98 PolarHBondContact O-N 2.96Å; E96-N98 PolarHBondContact OE1-ND2 3.3Å; E96-N98 PolarHBondContact OE1-OD1 2.88Å; N98-I100 HydrophobicContact CB-CD1 4.45Å; N98-I100 PolarHBondContact O-N 3.11Å
99L91.5Very high90.3Very high80 Ų8066.8 Ų66.842%0.41935%0.352SS..EExtended strand (participates in β ladder)trans-76.6116.8170.2-178.167000108.8F68 A72 V74 D102F68-L99 HydrophobicContact CD1-CD1 4.49Å; F68-L99 HydrophobicContact CE1-CB 4.41Å; A72-L99 HydrophobicContact CB-CD1 3.88Å; V74-L99 HydrophobicContact CG1-CD1 4.28Å; L99-D102 HydrophobicContact CD2-CB 4.22Å
100I93.1Very high90.2Very high110 Ų11061.2 Ų61.256%0.56433%0.326SS*.EExtended strand (participates in β ladder)trans-92.5-38.7179.6-56.6-58.6000110.7A73 E75 N98A73-I100 HydrophobicContact CB-CB 4.27Å; A73-I100 PolarHBondContact O-N 3.4Å; E75-I100 HydrophobicContact CB-CD1 4.04Å; E75-I100 HydrophobicContact CB-CG1 4.09Å; N98-I100 HydrophobicContact CB-CD1 4.45Å; N98-I100 PolarHBondContact O-N 3.11Å
101G91.5Very high89.7Confident28 Ų2861.7 Ų61.729%0.28933%0.331SS..EExtended strand (participates in β ladder)trans-153.2122.9177.700000110.4A72 A73A72-G101 WeakPolarHBondContact CA-O 3.47Å; A73-G101 PolarHBondContact N-O 2.82Å; A73-G101 PolarHBondContact O-N 2.69Å
102D87.3Confident88.8Confident105 Ų10565.1 Ų65.156%0.56135%0.353SS*.  trans-70.8165.3173.6-159.54.2000110.8N69 L99N69-D102 PolarHBondContact ND2-OD1 3.22Å; L99-D102 HydrophobicContact CD2-CB 4.22Å
103F84.1Confident87.6Confident28 Ų2876.6 Ų76.612%0.12340%0.396CS..  trans-125.3114.1-175.2-172.7-96.1000111.3N69 V70 G71 A72 R105 Y108N69-F103 HydrophobicContact CB-CB 4.41Å; V70-F103 WeakPolarHBondContact O-CD1 3.41Å; G71-F103 WeakPolarHBondContact O-CD2 3.23Å; A72-F103 HydrophobicContact CB-CB 4.4Å; F103-R105 HydrophobicContact CD1-CB 4.35Å; F103-R105 PolarHBondContact O-N 3.13Å; F103-Y108 AromaticContact CE1-CD1 3.74Å; F103-Y108 HydrophobicContact CE1-CD1 3.74Å; F103-Y108 HydrophobicContact CE1-CD2 4.41Å; F103-Y108 HydrophobicContact CE1-CE1 4.27Å; F103-Y108 AromaticContact CE1-CG 3.79Å; F103-Y108 HydrophobicContact CE1-CG 3.79Å; F103-Y108 HydrophobicContact CE2-CD2 4.25Å; F103-Y108 HydrophobicContact CE2-CE2 4.32Å; F103-Y108 HydrophobicContact CE2-CG 4.43Å; F103-Y108 AromaticContact CZ-CD1 3.44Å; F103-Y108 HydrophobicContact CZ-CD1 3.44Å; F103-Y108 VanDerWaalsContact CZ-CD1 3.44Å; F103-Y108 AromaticContact CZ-CD2 3.53Å; F103-Y108 HydrophobicContact CZ-CD2 3.53Å; F103-Y108 AromaticContact CZ-CE1 3.68Å; F103-Y108 HydrophobicContact CZ-CE1 3.68Å; F103-Y108 AromaticContact CZ-CE2 3.79Å; F103-Y108 HydrophobicContact CZ-CE2 3.79Å; F103-Y108 AromaticContact CZ-CG 3.33Å; F103-Y108 HydrophobicContact CZ-CG 3.33Å; F103-Y108 AromaticContact CZ-CZ 3.84Å
104E84.6Confident86.9Confident131 Ų13183.5 Ų83.561%0.61242%0.421SS*.  trans-71.9100.7174.1-168.5-171152.200110.5N107E104-N107 PolarHBondContact OE1-ND2 3.02Å
105R81.5Confident86.3Confident113 Ų11389.2 Ų89.243%0.42644%0.444SS..  trans-77.6-29-176-170.7173.8-177.6164.77.2114F103 N107 Y108 A111F103-R105 HydrophobicContact CD1-CB 4.35Å; F103-R105 PolarHBondContact O-N 3.13Å; R105-N107 PolarHBondContact O-N 2.82Å; R105-Y108 PolarHBondContact O-N 3.26Å; R105-A111 HydrophobicContact CG-CB 3.99Å; R105-A111 PolarHBondContact NH2-O 3.11Å
106L83.8Confident86.1Confident155 Ų15586.5 Ų86.581%0.81242%0.422SS*.THydrogen-bonded Turntrans-61.2-42.6-167.9-174.464.2000112.5
107N84.7Confident86.1Confident123 Ų12387.5 Ų87.566%0.65843%0.429SS*.THydrogen-bonded Turntrans-101.76.6-176.5-66.4-47.8000113.7E104 R105 P109E104-N107 PolarHBondContact OE1-ND2 3.02Å; R105-N107 PolarHBondContact O-N 2.82Å; N107-P109 WeakPolarHBondContact O-CD 3.5Å
108Y88.8Confident86.1Confident41 Ų4187.8 Ų87.816%0.16143%0.433CS..  trans-77.8119.1-178.7-179.7-121000111.1F103 R105 F110 A111 L127 K130F103-Y108 AromaticContact CE1-CD1 3.74Å; F103-Y108 HydrophobicContact CE1-CD1 3.74Å; F103-Y108 HydrophobicContact CE1-CD2 4.41Å; F103-Y108 HydrophobicContact CE1-CE1 4.27Å; F103-Y108 AromaticContact CE1-CG 3.79Å; F103-Y108 HydrophobicContact CE1-CG 3.79Å; F103-Y108 HydrophobicContact CE2-CD2 4.25Å; F103-Y108 HydrophobicContact CE2-CE2 4.32Å; F103-Y108 HydrophobicContact CE2-CG 4.43Å; F103-Y108 AromaticContact CZ-CD1 3.44Å; F103-Y108 HydrophobicContact CZ-CD1 3.44Å; F103-Y108 VanDerWaalsContact CZ-CD1 3.44Å; F103-Y108 AromaticContact CZ-CD2 3.53Å; F103-Y108 HydrophobicContact CZ-CD2 3.53Å; F103-Y108 AromaticContact CZ-CE1 3.68Å; F103-Y108 HydrophobicContact CZ-CE1 3.68Å; F103-Y108 AromaticContact CZ-CE2 3.79Å; F103-Y108 HydrophobicContact CZ-CE2 3.79Å; F103-Y108 AromaticContact CZ-CG 3.33Å; F103-Y108 HydrophobicContact CZ-CG 3.33Å; F103-Y108 AromaticContact CZ-CZ 3.84Å; R105-Y108 PolarHBondContact O-N 3.26Å; Y108-F110 VanDerWaalsContact CD1-C 3.49Å; Y108-F110 HydrophobicContact CD1-CB 4.14Å; Y108-F110 HydrophobicContact CE1-CB 3.53Å; Y108-F110 HydrophobicContact CE1-CD2 4.31Å; Y108-F110 HydrophobicContact CE1-CG 4.34Å; Y108-F110 HydrophobicContact CE2-CD2 4.09Å; Y108-F110 AromaticContact CZ-CD2 3.69Å; Y108-F110 PolarHBondContact O-N 2.96Å; Y108-F110 WeakPolarHBondContact OH-CD2 3.12Å; Y108-A111 HydrophobicContact CD1-CB 4.13Å; Y108-A111 VanDerWaalsContact CD1-N 3.33Å; Y108-A111 WeakPolarHBondContact O-CB 3.48Å; Y108-A111 PolarHBondContact O-N 3.04Å; Y108-L127 HydrophobicContact CD2-CD1 4.09Å; Y108-L127 HydrophobicContact CE2-CB 4.41Å; Y108-L127 HydrophobicContact CE2-CD1 3.98Å; Y108-L127 HydrophobicContact CE2-CD2 4.38Å; Y108-L127 HydrophobicContact CE2-CG 4.48Å; Y108-K130 HydrophobicContact CE2-CD 4.29Å; Y108-K130 WeakPolarHBondContact OH-CB 3.44Å
109P88.7Confident86.1Confident40 Ų4087.6 Ų87.626%0.2644%0.436SS..THydrogen-bonded Turntrans-63.7-21.5-17223.5-34.4000113.6N107 H124 L127N107-P109 WeakPolarHBondContact O-CD 3.5Å; P109-H124 WeakPolarHBondContact CB-NE2 3.46Å; P109-H124 HydrophobicContact CG-CB 4.33Å; P109-L127 HydrophobicContact CG-CD1 3.49Å; P109-L127 VanDerWaalsContact CG-CD1 3.49Å
110F88.7Confident86.2Confident16 Ų1685.6 Ų85.67%0.0743%0.427CS..THydrogen-bonded Turntrans-104.519.3178.9-40.9-41.1000113.2Y108 T112 Q116 T120 L121 H124 L127 T131Y108-F110 VanDerWaalsContact CD1-C 3.49Å; Y108-F110 HydrophobicContact CD1-CB 4.14Å; Y108-F110 HydrophobicContact CE1-CB 3.53Å; Y108-F110 HydrophobicContact CE1-CD2 4.31Å; Y108-F110 HydrophobicContact CE1-CG 4.34Å; Y108-F110 HydrophobicContact CE2-CD2 4.09Å; Y108-F110 AromaticContact CZ-CD2 3.69Å; Y108-F110 PolarHBondContact O-N 2.96Å; Y108-F110 WeakPolarHBondContact OH-CD2 3.12Å; F110-T112 PolarHBondContact O-N 3.18Å; F110-Q116 HydrophobicContact CB-CG 3.97Å; F110-Q116 HydrophobicContact CD1-CG 3.93Å; F110-Q116 HydrophobicContact CG-CG 4.15Å; F110-T120 HydrophobicContact CD1-CG2 4.49Å; F110-T120 HydrophobicContact CE1-CG2 4.24Å; F110-L121 HydrophobicContact CD1-CD2 3.96Å; F110-L121 HydrophobicContact CD2-CD2 4.32Å; F110-L121 HydrophobicContact CE1-CD2 3.49Å; F110-L121 VanDerWaalsContact CE1-CD2 3.49Å; F110-L121 HydrophobicContact CE2-CD2 3.88Å; F110-L121 HydrophobicContact CG-CD2 4.37Å; F110-L121 HydrophobicContact CZ-CD2 3.42Å; F110-L121 VanDerWaalsContact CZ-CD2 3.42Å; F110-H124 HydrophobicContact CE1-CB 4.37Å; F110-H124 HydrophobicContact CZ-CB 3.81Å; F110-L127 HydrophobicContact CD2-CB 4.31Å; F110-L127 HydrophobicContact CE2-CB 3.55Å; F110-L127 HydrophobicContact CZ-CB 4.2Å; F110-T131 HydrophobicContact CD2-CG2 3.83Å; F110-T131 HydrophobicContact CE2-CG2 4.12Å; F110-T131 HydrophobicContact CG-CG2 4.43Å
111A82.7Confident86.2Confident28 Ų2880.5 Ų80.523%0.23140%0.401CS..  trans-66.9-18.3-178.500000113.9R105 Y108R105-A111 HydrophobicContact CG-CB 3.99Å; R105-A111 PolarHBondContact NH2-O 3.11Å; Y108-A111 HydrophobicContact CD1-CB 4.13Å; Y108-A111 VanDerWaalsContact CD1-N 3.33Å; Y108-A111 WeakPolarHBondContact O-CB 3.48Å; Y108-A111 PolarHBondContact O-N 3.04Å
112T76.6Confident86.2Confident80 Ų8081.6 Ų81.649%0.49140%0.397SS..SBendtrans-69.7143.9-178.675.30000110.6F110 K114 Q116F110-T112 PolarHBondContact O-N 3.18Å; T112-K114 PolarHBondContact O-N 2.75Å; T112-Q116 PolarHBondContact OG1-NE2 2.9Å
113R73.1Confident86.4Confident242 Ų24282.9 Ų82.991%0.91340%0.399SS*.SBendtrans-71.7-8.6174.7-66.1-174.3-177.5175.91.4113
114K80.1Confident86.8Confident173 Ų17384.1 Ų84.175%0.75241%0.405SS*.SBendtrans-72.2145.5178.4-66.2-175.5178.2-179.10109T112 Q116T112-K114 PolarHBondContact O-N 2.75Å; K114-Q116 PolarHBondContact O-N 3.29Å; K114-Q116 PolarHBondContact O-NE2 3.33Å
115K83.3Confident87.2Confident130 Ų13078.3 Ų78.357%0.56538%0.379SS*.PPolyproline II helixtrans-58123.9170.7-178.4178174.6-1760108.3Q294 Y295K115-Q294 PolarHBondContact NZ-O 2.83Å; K115-Y295 WeakPolarHBondContact CE-O 3.45Å; K115-Y295 PolarHBondContact NZ-O 3.47Å
116Q88.3Confident87.8Confident28 Ų2878.2 Ų78.213%0.13138%0.383CS..PPolyproline II helixtrans-70.3140.4175.1-55.4-52.5-46.600109.3F110 T112 K114 L121 Y295F110-Q116 HydrophobicContact CB-CG 3.97Å; F110-Q116 HydrophobicContact CD1-CG 3.93Å; F110-Q116 HydrophobicContact CG-CG 4.15Å; T112-Q116 PolarHBondContact OG1-NE2 2.9Å; K114-Q116 PolarHBondContact O-N 3.29Å; K114-Q116 PolarHBondContact O-NE2 3.33Å; Q116-L121 HydrophobicContact CB-CD2 3.74Å; Q116-L121 HydrophobicContact CB-CG 4.36Å; Q116-L121 HydrophobicContact CG-CD2 4.25Å; Q116-Y295 VanDerWaalsContact O-CE2 3.28Å; Q116-Y295 WeakPolarHBondContact O-CE2 3.49Å; Q116-Y295 PolarHBondContact O-OH 2.85Å
117L92.1Very high88.2Confident107 Ų10772.3 Ų72.356%0.5635%0.352SS*.PPolyproline II helixtrans-81.7151.6174.1-63.5175.7000109.7S119 T120 L121L117-S119 PolarHBondContact O-N 3.4Å; L117-S119 VanDerWaalsContact O-N 3.17Å; L117-T120 WeakPolarHBondContact O-CB 3.28Å; L117-T120 PolarHBondContact O-N 2.9Å; L117-L121 PolarHBondContact O-N 2.94Å; L117-L121 VanDerWaalsContact O-N 3.11Å
118P92.4Very high88.6Confident28 Ų2866.5 Ų66.518%0.18232%0.321CS..Hα-helixtrans-53.7-35.3173.1-2633.2000113.3T120 L121 R122 Y295 D454P118-T120 PolarHBondContact O-N 2.84Å; P118-L121 PolarHBondContact O-N 3.02Å; P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 2.81Å; P118-Y295 WeakPolarHBondContact CA-OH 3.27Å; P118-Y295 HydrophobicContact CG-CE1 3.88Å; P118-D454 WeakPolarHBondContact CB-OD2 3.48Å
119S92Very high88.8Confident54 Ų5466.9 Ų66.938%0.37833%0.328SS..Hα-helixtrans-60.6-40.5173.948.20000113.5L117 R122L117-S119 PolarHBondContact O-N 3.4Å; L117-S119 VanDerWaalsContact O-N 3.17Å; S119-R122 VanDerWaalsContact CA-NH2 3.33Å; S119-R122 PolarHBondContact O-N 2.75Å
120T92.2Very high89Confident37 Ų3768.4 Ų68.423%0.22733%0.331CS..Hα-helixtrans-66.8-41.6175.7-48.10000111F110 L117 P118 R122 Q123F110-T120 HydrophobicContact CD1-CG2 4.49Å; F110-T120 HydrophobicContact CE1-CG2 4.24Å; L117-T120 WeakPolarHBondContact O-CB 3.28Å; L117-T120 PolarHBondContact O-N 2.9Å; P118-T120 PolarHBondContact O-N 2.84Å; T120-R122 VanDerWaalsContact C-N 3.3Å; T120-R122 PolarHBondContact O-N 2.77Å; T120-Q123 WeakPolarHBondContact O-CB 3.43Å; T120-Q123 PolarHBondContact O-N 3Å
121L93Very high89.1Confident4 Ų468.5 Ų68.52%0.02133%0.333CS..Hα-helixtrans-63.6-35.6177.5-61.8-163.3000112.5F110 Q116 L117 P118 Q123 H124 R128 T131 F134 Y295F110-L121 HydrophobicContact CD1-CD2 3.96Å; F110-L121 HydrophobicContact CD2-CD2 4.32Å; F110-L121 HydrophobicContact CE1-CD2 3.49Å; F110-L121 VanDerWaalsContact CE1-CD2 3.49Å; F110-L121 HydrophobicContact CE2-CD2 3.88Å; F110-L121 HydrophobicContact CG-CD2 4.37Å; F110-L121 HydrophobicContact CZ-CD2 3.42Å; F110-L121 VanDerWaalsContact CZ-CD2 3.42Å; Q116-L121 HydrophobicContact CB-CD2 3.74Å; Q116-L121 HydrophobicContact CB-CG 4.36Å; Q116-L121 HydrophobicContact CG-CD2 4.25Å; L117-L121 PolarHBondContact O-N 2.94Å; L117-L121 VanDerWaalsContact O-N 3.11Å; P118-L121 PolarHBondContact O-N 3.02Å; L121-Q123 PolarHBondContact O-N 3.21Å; L121-H124 CarbonylContact O-C 3.54Å; L121-H124 VanDerWaalsContact O-C 3.32Å; L121-H124 PolarHBondContact O-N 3.19Å; L121-H124 VanDerWaalsContact O-N 3.14Å; L121-R128 HydrophobicContact CB-CB 3.96Å; L121-R128 HydrophobicContact CD1-CB 4.26Å; L121-R128 HydrophobicContact CG-CB 4.49Å; L121-T131 HydrophobicContact CD1-CG2 4.29Å; L121-T131 HydrophobicContact CD2-CG2 3.77Å; L121-F134 HydrophobicContact CD1-CB 4.17Å; L121-Y295 HydrophobicContact CD1-CE1 4.25Å; L121-Y295 WeakPolarHBondContact CD1-OH 3.28Å; L121-Y295 WeakPolarHBondContact CG-OH 3.24Å
122R92Very high89.5Confident51 Ų5169.4 Ų69.419%0.19234%0.338CS..Hα-helixtrans-65.1-23.7176.7-74-173.4-64.9-94.17.1113.8P118 S119 T120 H124 D454P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 2.81Å; S119-R122 VanDerWaalsContact CA-NH2 3.33Å; S119-R122 PolarHBondContact O-N 2.75Å; T120-R122 VanDerWaalsContact C-N 3.3Å; T120-R122 PolarHBondContact O-N 2.77Å; R122-H124 VanDerWaalsContact C-N 3.29Å; R122-D454 WeakPolarHBondContact CD-OD1 3.41Å; R122-D454 WeakPolarHBondContact CG-OD1 3.47Å; R122-D454 IonicContact CZ-OD1 3.92Å; R122-D454 IonicContact CZ-OD2 3.72Å; R122-D454 IonicContact NH1-OD1 3.99Å; R122-D454 PolarHBondContact NH1-OD1 3.15Å; R122-D454 IonicContact NH1-OD2 2.67Å; R122-D454 PolarHBondContact NH1-OD2 3.43Å
123Q92.1Very high90.3Very high131 Ų13166.4 Ų66.461%0.61232%0.32SS*.Hα-helixtrans-74.6-20.3175.3-67.3172.4-14.900112.6T120 L121T120-Q123 WeakPolarHBondContact O-CB 3.43Å; T120-Q123 PolarHBondContact O-N 3Å; L121-Q123 PolarHBondContact O-N 3.21Å
124H92.9Very high91.3Very high54 Ų5455.2 Ų55.225%0.2528%0.278CS..  trans-130.865.7179.8-54.1-82.4000110.8P109 F110 L121 R122 H126 L127 R128P109-H124 WeakPolarHBondContact CB-NE2 3.46Å; P109-H124 HydrophobicContact CG-CB 4.33Å; F110-H124 HydrophobicContact CE1-CB 4.37Å; F110-H124 HydrophobicContact CZ-CB 3.81Å; L121-H124 CarbonylContact O-C 3.54Å; L121-H124 VanDerWaalsContact O-C 3.32Å; L121-H124 PolarHBondContact O-N 3.19Å; L121-H124 VanDerWaalsContact O-N 3.14Å; R122-H124 VanDerWaalsContact C-N 3.29Å; H124-H126 PolarHBondContact O-N 2.93Å; H124-L127 HydrophobicContact CB-CB 4.2Å; H124-L127 HydrophobicContact CB-CD1 4.3Å; H124-L127 HydrophobicContact CB-CG 4.48Å; H124-L127 PolarHBondContact O-N 2.67Å; H124-R128 PolarHBondContact O-N 3.05Å; H124-R128 VanDerWaalsContact O-N 3.08Å
125P92.9Very high92.1Very high10 Ų1047.4 Ų47.47%0.06525%0.245CC..THydrogen-bonded Turntrans-62-27.4-174.426.8-35.4000113.1L127 R128 F458P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 2.71Å; P125-R128 WeakPolarHBondContact O-CG 3.4Å; P125-F458 HydrophobicContact CB-CD1 3.85Å; P125-F458 HydrophobicContact CB-CE1 4.25Å; P125-F458 HydrophobicContact CG-CD1 4.49Å; P125-F458 WeakPolarHBondContact O-CE1 3.29Å
126H92.8Very high92.6Very high111 Ų11141.2 Ų41.251%0.51422%0.218SC..THydrogen-bonded Turntrans-70.5-21.4174.358.8-79.7000113.6H124H124-H126 PolarHBondContact O-N 2.93Å
127L93Very high93Very high31 Ų3139.9 Ų39.916%0.16221%0.212CC..THydrogen-bonded Turntrans-104.4-23.4-179.3-61.9176.9000113.7Y108 P109 F110 H124 P125 P129 K130Y108-L127 HydrophobicContact CD2-CD1 4.09Å; Y108-L127 HydrophobicContact CE2-CB 4.41Å; Y108-L127 HydrophobicContact CE2-CD1 3.98Å; Y108-L127 HydrophobicContact CE2-CD2 4.38Å; Y108-L127 HydrophobicContact CE2-CG 4.48Å; P109-L127 HydrophobicContact CG-CD1 3.49Å; P109-L127 VanDerWaalsContact CG-CD1 3.49Å; F110-L127 HydrophobicContact CD2-CB 4.31Å; F110-L127 HydrophobicContact CE2-CB 3.55Å; F110-L127 HydrophobicContact CZ-CB 4.2Å; H124-L127 HydrophobicContact CB-CB 4.2Å; H124-L127 HydrophobicContact CB-CD1 4.3Å; H124-L127 HydrophobicContact CB-CG 4.48Å; H124-L127 PolarHBondContact O-N 2.67Å; P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 2.71Å; L127-P129 VanDerWaalsContact C-N 3.28Å; L127-P129 VanDerWaalsContact O-N 3.14Å; L127-K130 HydrophobicContact CD2-CD 4.35Å; L127-K130 VanDerWaalsContact O-CB 3.22Å; L127-K130 WeakPolarHBondContact O-CB 3.4Å; L127-K130 PolarHBondContact O-N 2.78Å
128R93.2Very high93.3Very high1 Ų137 Ų370%0.00420%0.197CC..G310 helixtrans-55.4-30.3-176.965.8173.1173.8176.7137.1115.2L121 H124 P125 K130 T131 F134 V456 A457L121-R128 HydrophobicContact CB-CB 3.96Å; L121-R128 HydrophobicContact CD1-CB 4.26Å; L121-R128 HydrophobicContact CG-CB 4.49Å; H124-R128 PolarHBondContact O-N 3.05Å; H124-R128 VanDerWaalsContact O-N 3.08Å; P125-R128 WeakPolarHBondContact O-CG 3.4Å; R128-K130 PolarHBondContact O-N 3.17Å; R128-K130 VanDerWaalsContact O-N 3.11Å; R128-T131 PolarHBondContact O-N 3.34Å; R128-T131 PolarHBondContact O-OG1 2.84Å; R128-F134 HydrophobicContact CB-CB 4.41Å; R128-F134 HydrophobicContact CB-CD1 3.93Å; R128-F134 HydrophobicContact CB-CG 4.11Å; R128-F134 VanDerWaalsContact CD-CD1 3.49Å; R128-F134 HydrophobicContact CG-CD1 3.42Å; R128-F134 VanDerWaalsContact CG-CD1 3.42Å; R128-F134 HydrophobicContact CG-CE1 3.59Å; R128-F134 HydrophobicContact CG-CG 3.99Å; R128-F134 HydrophobicContact CG-CZ 4.35Å; R128-F134 VanDerWaalsContact NE-CZ 3.32Å; R128-F134 WeakPolarHBondContact O-CB 3.32Å; R128-V456 PolarHBondContact NH1-O 3.13Å; R128-V456 PolarHBondContact NH2-O 2.79Å; R128-A457 PolarHBondContact NE-O 3.5Å; R128-A457 PolarHBondContact NH1-O 2.85Å
129P93.5Very high93.5Very high48 Ų4836.9 Ų36.931%0.31219%0.193SC..G310 helixtrans-62-18.4173.9-2236000113.2L127 T131 L138L127-P129 VanDerWaalsContact C-N 3.28Å; L127-P129 VanDerWaalsContact O-N 3.14Å; P129-T131 PolarHBondContact O-N 3.33Å; P129-L138 HydrophobicContact CB-CD1 4.1Å; P129-L138 HydrophobicContact CG-CD1 4.17Å
130K91.6Very high93.7Very high73 Ų7334.4 Ų34.432%0.31718%0.176SC..G310 helixtrans-72.7-10.9171.4-65.1-175.9174.7-750113R34 Y108 L127 R128R34-K130 PolarHBondContact NH1-O 2.93Å; Y108-K130 HydrophobicContact CE2-CD 4.29Å; Y108-K130 WeakPolarHBondContact OH-CB 3.44Å; L127-K130 HydrophobicContact CD2-CD 4.35Å; L127-K130 VanDerWaalsContact O-CB 3.22Å; L127-K130 WeakPolarHBondContact O-CB 3.4Å; L127-K130 PolarHBondContact O-N 2.78Å; R128-K130 PolarHBondContact O-N 3.17Å; R128-K130 VanDerWaalsContact O-N 3.11Å
131T91.7Very high93.9Very high18 Ų1834.3 Ų34.311%0.1117%0.171CC..SBendtrans-88.9136.3173.567.80000110.3F110 L121 R128 P129 S133 F134 A135F110-T131 HydrophobicContact CD2-CG2 3.83Å; F110-T131 HydrophobicContact CE2-CG2 4.12Å; F110-T131 HydrophobicContact CG-CG2 4.43Å; L121-T131 HydrophobicContact CD1-CG2 4.29Å; L121-T131 HydrophobicContact CD2-CG2 3.77Å; R128-T131 PolarHBondContact O-N 3.34Å; R128-T131 PolarHBondContact O-OG1 2.84Å; P129-T131 PolarHBondContact O-N 3.33Å; T131-S133 VanDerWaalsContact C-N 3.27Å; T131-S133 PolarHBondContact O-N 3.21Å; T131-F134 PolarHBondContact O-N 2.81Å; T131-F134 VanDerWaalsContact OG1-CB 3.25Å; T131-F134 WeakPolarHBondContact OG1-CB 3.36Å; T131-F134 PolarHBondContact OG1-N 3.4Å; T131-A135 WeakPolarHBondContact O-CB 3.18Å; T131-A135 PolarHBondContact O-N 2.77Å
132S91.3Very high94.1Very high47 Ų4738 Ų3833%0.32920%0.197SC..Hα-helixtrans-59.5-39.5-176.5-54.10000112.2A135 A136S132-A135 PolarHBondContact O-N 3.31Å; S132-A136 WeakPolarHBondContact O-CB 3.31Å; S132-A136 PolarHBondContact O-N 3.24Å
133S92.7Very high94.3Very high17 Ų1739 Ų3912%0.11920%0.201CC..Hα-helixtrans-64.3-47179.851.10000113.2T131 A136 F137 Y295T131-S133 VanDerWaalsContact C-N 3.27Å; T131-S133 PolarHBondContact O-N 3.21Å; S133-A136 WeakPolarHBondContact O-CB 3.5Å; S133-A136 PolarHBondContact O-N 2.95Å; S133-F137 PolarHBondContact O-N 2.59Å; S133-F137 VanDerWaalsContact O-N 3.12Å; S133-Y295 VanDerWaalsContact CB-CB 3.41Å; S133-Y295 WeakPolarHBondContact OG-CD2 3.15Å; S133-Y295 WeakPolarHBondContact OG-CE2 3.34Å
134F95.3Very high94.6Very high6 Ų633 Ų333%0.02617%0.173CC..Hα-helixtrans-72.4-33.8178.5-166.8-100.8000111.7L121 R128 T131 A136 F137 L138 A457L121-F134 HydrophobicContact CD1-CB 4.17Å; R128-F134 HydrophobicContact CB-CB 4.41Å; R128-F134 HydrophobicContact CB-CD1 3.93Å; R128-F134 HydrophobicContact CB-CG 4.11Å; R128-F134 VanDerWaalsContact CD-CD1 3.49Å; R128-F134 HydrophobicContact CG-CD1 3.42Å; R128-F134 VanDerWaalsContact CG-CD1 3.42Å; R128-F134 HydrophobicContact CG-CE1 3.59Å; R128-F134 HydrophobicContact CG-CG 3.99Å; R128-F134 HydrophobicContact CG-CZ 4.35Å; R128-F134 VanDerWaalsContact NE-CZ 3.32Å; R128-F134 WeakPolarHBondContact O-CB 3.32Å; T131-F134 PolarHBondContact O-N 2.81Å; T131-F134 VanDerWaalsContact OG1-CB 3.25Å; T131-F134 WeakPolarHBondContact OG1-CB 3.36Å; T131-F134 PolarHBondContact OG1-N 3.4Å; F134-A136 VanDerWaalsContact C-N 3.3Å; F134-A136 PolarHBondContact O-N 3.12Å; F134-F137 HydrophobicContact CD2-CD1 4.21Å; F134-F137 AromaticContact CE2-CD1 3.52Å; F134-F137 HydrophobicContact CE2-CD1 3.52Å; F134-F137 HydrophobicContact CE2-CE1 4.19Å; F134-F137 HydrophobicContact CE2-CG 4.32Å; F134-F137 AromaticContact CZ-CD1 3.79Å; F134-F137 HydrophobicContact CZ-CD1 3.79Å; F134-F137 HydrophobicContact CZ-CE1 4.24Å; F134-F137 WeakPolarHBondContact O-CB 3.5Å; F134-F137 PolarHBondContact O-N 3.06Å; F134-L138 HydrophobicContact CD1-CD1 4.02Å; F134-L138 HydrophobicContact CD1-CG 4.01Å; F134-L138 HydrophobicContact CE1-CD1 3.67Å; F134-L138 HydrophobicContact CE1-CD2 3.62Å; F134-L138 HydrophobicContact CE1-CG 3.58Å; F134-L138 HydrophobicContact CZ-CD2 3.71Å; F134-L138 HydrophobicContact CZ-CG 4.08Å; F134-L138 WeakPolarHBondContact O-CG 3.36Å; F134-L138 PolarHBondContact O-N 3.44Å; F134-A457 HydrophobicContact CE1-CB 4.11Å; F134-A457 HydrophobicContact CZ-CB 4.2Å
135A95.2Very high94.8Very high9 Ų933.4 Ų33.47%0.07417%0.174CC..Hα-helixtrans-60.4-39.7170.900000112.1T131 S132 L138 R139T131-A135 WeakPolarHBondContact O-CB 3.18Å; T131-A135 PolarHBondContact O-N 2.77Å; S132-A135 PolarHBondContact O-N 3.31Å; A135-L138 PolarHBondContact O-N 2.92Å; A135-R139 WeakPolarHBondContact O-CG 3.34Å; A135-R139 PolarHBondContact O-N 3.43Å
136A95.4Very high95.1Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-60.5-46.1173.400000111.8S132 S133 F134 L138 R139 I140 D288 M291S132-A136 WeakPolarHBondContact O-CB 3.31Å; S132-A136 PolarHBondContact O-N 3.24Å; S133-A136 WeakPolarHBondContact O-CB 3.5Å; S133-A136 PolarHBondContact O-N 2.95Å; F134-A136 VanDerWaalsContact C-N 3.3Å; F134-A136 PolarHBondContact O-N 3.12Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.14Å; A136-R139 VanDerWaalsContact CA-NH2 3.27Å; A136-R139 PolarHBondContact O-N 2.99Å; A136-I140 WeakPolarHBondContact O-CG1 3.15Å; A136-I140 PolarHBondContact O-N 2.8Å; A136-D288 HydrophobicContact CB-CB 4.05Å; A136-M291 HydrophobicContact CB-CB 4.14Å; A136-M291 HydrophobicContact CB-CG 4.13Å; A136-M291 HydrophobicContact CB-SD 3.81Å
137F96.5Very high95.3Very high0 Ų033.6 Ų33.60%017%0.17CC..Hα-helixtrans-56.3-46172.9169.4-96.8000112.3S133 F134 R139 I140 R141 L443 L447 I449 D454 C455S133-F137 PolarHBondContact O-N 2.59Å; S133-F137 VanDerWaalsContact O-N 3.12Å; F134-F137 HydrophobicContact CD2-CD1 4.21Å; F134-F137 AromaticContact CE2-CD1 3.52Å; F134-F137 HydrophobicContact CE2-CD1 3.52Å; F134-F137 HydrophobicContact CE2-CE1 4.19Å; F134-F137 HydrophobicContact CE2-CG 4.32Å; F134-F137 AromaticContact CZ-CD1 3.79Å; F134-F137 HydrophobicContact CZ-CD1 3.79Å; F134-F137 HydrophobicContact CZ-CE1 4.24Å; F134-F137 WeakPolarHBondContact O-CB 3.5Å; F134-F137 PolarHBondContact O-N 3.06Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 2.99Å; F137-I140 WeakPolarHBondContact O-CB 3.29Å; F137-I140 PolarHBondContact O-N 3.26Å; F137-R141 HydrophobicContact CE1-CB 4.23Å; F137-R141 HydrophobicContact CZ-CB 3.97Å; F137-R141 HydrophobicContact CZ-CG 4.44Å; F137-R141 WeakPolarHBondContact O-CB 3.44Å; F137-R141 PolarHBondContact O-N 3.39Å; F137-L443 HydrophobicContact CE2-CB 4.4Å; F137-L443 HydrophobicContact CE2-CD1 4.14Å; F137-L443 HydrophobicContact CZ-CD1 3.99Å; F137-L447 HydrophobicContact CD2-CD1 3.79Å; F137-L447 HydrophobicContact CE2-CD1 3.93Å; F137-I449 HydrophobicContact CD2-CD1 3.93Å; F137-I449 HydrophobicContact CE2-CD1 4.12Å; F137-D454 WeakPolarHBondContact CE1-O 3.24Å; F137-C455 HydrophobicContact CE2-CB 4.47Å; F137-C455 HydrophobicContact CZ-CB 4.21Å; F137-C455 WeakPolarHBondContact CZ-O 3.45Å
138L97Very high95.6Very high46 Ų4632.1 Ų32.124%0.24116%0.163CC..Hα-helixtrans-62.9-38.9178.8-67.2-175.5000113.1P129 F134 A135 A136 R141 S142 A457P129-L138 HydrophobicContact CB-CD1 4.1Å; P129-L138 HydrophobicContact CG-CD1 4.17Å; F134-L138 HydrophobicContact CD1-CD1 4.02Å; F134-L138 HydrophobicContact CD1-CG 4.01Å; F134-L138 HydrophobicContact CE1-CD1 3.67Å; F134-L138 HydrophobicContact CE1-CD2 3.62Å; F134-L138 HydrophobicContact CE1-CG 3.58Å; F134-L138 HydrophobicContact CZ-CD2 3.71Å; F134-L138 HydrophobicContact CZ-CG 4.08Å; F134-L138 WeakPolarHBondContact O-CG 3.36Å; F134-L138 PolarHBondContact O-N 3.44Å; A135-L138 PolarHBondContact O-N 2.92Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.14Å; L138-R141 PolarHBondContact O-N 2.71Å; L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.39Å; L138-A457 HydrophobicContact CD1-CB 4.24Å; L138-A457 HydrophobicContact CD2-CB 3.37Å; L138-A457 HydrophobicContact CG-CB 4.42Å
139R96.5Very high95.8Very high27 Ų2734 Ų3410%0.10217%0.171CC..Hα-helixtrans-62.9-44.4173.4-71.1-172.8-62.6-87.6-0111.3G50 L51 S52 A135 A136 F137 S142 R143 D288G50-R139 PolarHBondContact O-NH1 3.42Å; L51-R139 WeakPolarHBondContact O-CD 3.42Å; S52-R139 PolarHBondContact O-NH2 2.9Å; A135-R139 WeakPolarHBondContact O-CG 3.34Å; A135-R139 PolarHBondContact O-N 3.43Å; A136-R139 VanDerWaalsContact CA-NH2 3.27Å; A136-R139 PolarHBondContact O-N 2.99Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 2.99Å; R139-S142 PolarHBondContact O-N 3.01Å; R139-R143 WeakPolarHBondContact O-CB 3.47Å; R139-R143 WeakPolarHBondContact O-CG 3.44Å; R139-R143 PolarHBondContact O-N 2.9Å; R139-D288 IonicContact CZ-OD1 2.73Å; R139-D288 IonicContact NE-OD1 3.82Å; R139-D288 PolarHBondContact NE-OD1 2.97Å; R139-D288 IonicContact NE-OD2 2.97Å; R139-D288 PolarHBondContact NE-OD2 3.24Å; R139-D288 IonicContact NH2-OD1 2.75Å; R139-D288 PolarHBondContact NH2-OD1 3.07Å
140I96.9Very high96Very high2 Ų235.8 Ų35.81%0.0117%0.172CC..Hα-helixtrans-59.2-51.8174.8-67.9165.6000110.5A136 F137 S142 R143 M144 L281 D288 C292 L447A136-I140 WeakPolarHBondContact O-CG1 3.15Å; A136-I140 PolarHBondContact O-N 2.8Å; F137-I140 WeakPolarHBondContact O-CB 3.29Å; F137-I140 PolarHBondContact O-N 3.26Å; I140-S142 VanDerWaalsContact C-N 3.32Å; I140-S142 PolarHBondContact O-N 3.38Å; I140-R143 PolarHBondContact O-N 3.38Å; I140-M144 WeakPolarHBondContact O-CB 3.38Å; I140-M144 PolarHBondContact O-N 3.12Å; I140-L281 HydrophobicContact CD1-CD1 4.43Å; I140-L281 HydrophobicContact CG1-CD1 4.36Å; I140-L281 HydrophobicContact CG2-CD1 3.66Å; I140-D288 HydrophobicContact CD1-CB 4Å; I140-D288 HydrophobicContact CG1-CB 3.79Å; I140-C292 HydrophobicContact CD1-CB 4.08Å; I140-L447 HydrophobicContact CD1-CD2 4.07Å; I140-L447 HydrophobicContact CG2-CD1 4.25Å
141R97.6Very high96.3Very high35 Ų3533 Ų3313%0.13216%0.159CC..Hα-helixtrans-55.8-47179.3175.4172.9176.4897.7111.5F137 L138 K145 F439 E440 L443 C455F137-R141 HydrophobicContact CE1-CB 4.23Å; F137-R141 HydrophobicContact CZ-CB 3.97Å; F137-R141 HydrophobicContact CZ-CG 4.44Å; F137-R141 WeakPolarHBondContact O-CB 3.44Å; F137-R141 PolarHBondContact O-N 3.39Å; L138-R141 PolarHBondContact O-N 2.71Å; R141-K145 WeakPolarHBondContact O-CB 3.42Å; R141-K145 PolarHBondContact O-N 3.03Å; R141-F439 HydrophobicContact CG-CE1 3.9Å; R141-F439 HydrophobicContact CG-CZ 4.29Å; R141-E440 IonicContact CZ-OE1 2.71Å; R141-E440 IonicContact NH1-OE1 2.64Å; R141-E440 PolarHBondContact NH1-OE1 2.92Å; R141-E440 IonicContact NH2-OE1 3.78Å; R141-E440 PolarHBondContact NH2-OE1 3.32Å; R141-L443 HydrophobicContact CB-CD1 3.86Å; R141-L443 HydrophobicContact CG-CD1 3.71Å; R141-C455 PolarHBondContact NH1-O 2.62Å
142S97Very high96.7Very high82 Ų8232.1 Ų32.157%0.57315%0.154SC*.Hα-helixtrans-62.4-46.5178.3-175.70000112.1L138 R139 I140 Y146L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.39Å; R139-S142 PolarHBondContact O-N 3.01Å; I140-S142 VanDerWaalsContact C-N 3.32Å; I140-S142 PolarHBondContact O-N 3.38Å; S142-Y146 PolarHBondContact O-N 2.96Å; S142-Y146 VanDerWaalsContact O-N 3.12Å
143R96.3Very high96.9Very high71 Ų7135.6 Ų35.627%0.26817%0.165SC..Hα-helixtrans-65.5-42.4179.1-73.5178.6-171.9143.99111.8R139 I140 Y146 A147 S285 D288R139-R143 WeakPolarHBondContact O-CB 3.47Å; R139-R143 WeakPolarHBondContact O-CG 3.44Å; R139-R143 PolarHBondContact O-N 2.9Å; I140-R143 PolarHBondContact O-N 3.38Å; R143-Y146 PolarHBondContact O-N 2.85Å; R143-A147 WeakPolarHBondContact O-CB 3.5Å; R143-A147 PolarHBondContact O-N 3.19Å; R143-S285 WeakPolarHBondContact CD-OG 3.25Å; R143-S285 PolarHBondContact NH1-OG 3.22Å; R143-D288 IonicContact CZ-OD2 3.52Å; R143-D288 IonicContact NH1-OD2 3.9Å; R143-D288 PolarHBondContact NH1-OD2 2.93Å; R143-D288 IonicContact NH2-OD2 2.97Å; R143-D288 PolarHBondContact NH2-OD2 3.48Å
144M97.6Very high97.2Very high6 Ų640.9 Ų40.93%0.0319%0.192CC..Hα-helixtrans-64.1-42.9178.8-172.257.168.100111.4I140 Y146 A147 L148 S277 E280 L281 F439 L443 L446I140-M144 WeakPolarHBondContact O-CB 3.38Å; I140-M144 PolarHBondContact O-N 3.12Å; M144-Y146 VanDerWaalsContact C-N 3.33Å; M144-Y146 PolarHBondContact O-N 3.42Å; M144-A147 PolarHBondContact O-N 2.97Å; M144-L148 HydrophobicContact CG-CD1 4.36Å; M144-L148 WeakPolarHBondContact O-CG 3.22Å; M144-L148 PolarHBondContact O-N 2.93Å; M144-S277 WeakPolarHBondContact CE-O 3.22Å; M144-E280 HydrophobicContact CE-CB 4.24Å; M144-L281 HydrophobicContact CE-CB 4.05Å; M144-F439 HydrophobicContact CB-CE2 4.32Å; M144-F439 HydrophobicContact CB-CZ 4.32Å; M144-F439 HydrophobicContact CG-CE2 3.9Å; M144-F439 HydrophobicContact CG-CZ 4.41Å; M144-L443 HydrophobicContact CB-CD2 4.12Å; M144-L443 HydrophobicContact CG-CD2 4.06Å; M144-L446 HydrophobicContact CE-CD1 4.18Å
145K97.8Very high97.3Very high61 Ų6145.5 Ų45.527%0.26521%0.212SC..Hα-helixtrans-58.6-46174.5-175.9159.9-170.51780111.2R141 L148 H149 F232 F439R141-K145 WeakPolarHBondContact O-CB 3.42Å; R141-K145 PolarHBondContact O-N 3.03Å; K145-L148 PolarHBondContact O-N 2.98Å; K145-H149 PolarHBondContact O-CD2 3.25Å; K145-H149 VanDerWaalsContact O-CD2 3.22Å; K145-H149 PolarHBondContact O-N 3.37Å; K145-H149 VanDerWaalsContact O-N 3.17Å; K145-F232 HydrophobicContact CB-CE1 4.38Å; K145-F232 HydrophobicContact CB-CZ 4.37Å; K145-F232 HydrophobicContact CD-CE1 4.3Å; K145-F232 HydrophobicContact CD-CE2 4.32Å; K145-F232 HydrophobicContact CD-CZ 4.03Å; K145-F232 HydrophobicContact CG-CD1 4.32Å; K145-F232 HydrophobicContact CG-CE1 3.68Å; K145-F232 HydrophobicContact CG-CZ 3.8Å; K145-F439 HydrophobicContact CB-CE1 4.13Å; K145-F439 HydrophobicContact CB-CZ 3.82Å
146Y97.5Very high97.4Very high124 Ų12447.5 Ų47.549%0.48623%0.233SC..Hα-helixtrans-63.6-42.1175.5179.4-105.4000112.9S142 R143 M144 L148 H149 R150S142-Y146 PolarHBondContact O-N 2.96Å; S142-Y146 VanDerWaalsContact O-N 3.12Å; R143-Y146 PolarHBondContact O-N 2.85Å; M144-Y146 VanDerWaalsContact C-N 3.33Å; M144-Y146 PolarHBondContact O-N 3.42Å; Y146-L148 VanDerWaalsContact C-N 3.34Å; Y146-L148 PolarHBondContact O-N 3.04Å; Y146-H149 PolarHBondContact O-N 2.93Å; Y146-R150 HydrophobicContact CD1-CG 4.34Å; Y146-R150 VanDerWaalsContact CE1-CD 3.43Å; Y146-R150 HydrophobicContact CE1-CG 3.89Å; Y146-R150 HydrophobicContact CE2-CG 4.4Å; Y146-R150 PolarHBondContact O-N 3.1Å
147A97.8Very high97.6Very high2 Ų248.3 Ų48.32%0.01724%0.237CC..Hα-helixtrans-61.2-41.317800000112.1R143 M144 R150 Y151 F276 E280R143-A147 WeakPolarHBondContact O-CB 3.5Å; R143-A147 PolarHBondContact O-N 3.19Å; M144-A147 PolarHBondContact O-N 2.97Å; A147-R150 WeakPolarHBondContact O-CB 3.46Å; A147-R150 PolarHBondContact O-N 3.42Å; A147-Y151 PolarHBondContact O-N 3.4Å; A147-F276 HydrophobicContact CB-CE1 4.03Å; A147-F276 HydrophobicContact CB-CZ 4.07Å; A147-F276 WeakPolarHBondContact O-CE1 3.25Å; A147-F276 WeakPolarHBondContact O-CZ 3.49Å; A147-E280 HydrophobicContact CB-CG 4.06Å; A147-E280 WeakPolarHBondContact CB-OE2 3.45Å
148L98.4Very high97.7Very high0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-64.4-43.3175-71.6168.8000111.9M144 K145 Y146 R150 Y151 F152 F232 L253 I273 F276 F439 L442M144-L148 HydrophobicContact CG-CD1 4.36Å; M144-L148 WeakPolarHBondContact O-CG 3.22Å; M144-L148 PolarHBondContact O-N 2.93Å; K145-L148 PolarHBondContact O-N 2.98Å; Y146-L148 VanDerWaalsContact C-N 3.34Å; Y146-L148 PolarHBondContact O-N 3.04Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 2.58Å; L148-Y151 WeakPolarHBondContact O-CB 3.42Å; L148-Y151 PolarHBondContact O-N 3.19Å; L148-F152 WeakPolarHBondContact O-CD2 3.23Å; L148-F152 PolarHBondContact O-N 3.28Å; L148-F152 VanDerWaalsContact O-N 3.1Å; L148-F232 HydrophobicContact CB-CE1 4.1Å; L148-F232 HydrophobicContact CD1-CE1 3.96Å; L148-F232 HydrophobicContact CD1-CZ 4.29Å; L148-L253 HydrophobicContact CD1-CD2 4.44Å; L148-L253 HydrophobicContact CD2-CD2 4.42Å; L148-I273 HydrophobicContact CD2-CG2 3.86Å; L148-F276 HydrophobicContact CD2-CD1 4.43Å; L148-F439 HydrophobicContact CD1-CD2 3.98Å; L148-F439 HydrophobicContact CD1-CE2 3.8Å; L148-L442 HydrophobicContact CD1-CD2 4.12Å
149H98.6Very high97.7Very high39 Ų3952.1 Ų52.118%0.18126%0.259CS..Hα-helixtrans-57.7-43.7172.8-78.4-64.1000112.2K145 Y146 F152 Q153 Y230 F232K145-H149 PolarHBondContact O-CD2 3.25Å; K145-H149 VanDerWaalsContact O-CD2 3.22Å; K145-H149 PolarHBondContact O-N 3.37Å; K145-H149 VanDerWaalsContact O-N 3.17Å; Y146-H149 PolarHBondContact O-N 2.93Å; H149-F152 PolarHBondContact O-N 3.26Å; H149-Q153 WeakPolarHBondContact O-CB 3.45Å; H149-Q153 WeakPolarHBondContact O-CG 3.43Å; H149-Q153 PolarHBondContact O-N 2.98Å; H149-Y230 AromaticContact ND1-CE2 3.62Å; H149-Y230 AromaticContact ND1-CZ 3.71Å; H149-Y230 PolarHBondContact ND1-OH 3.37Å; H149-F232 AromaticContact CE1-CD1 3.96Å; H149-F232 AromaticContact NE2-CD1 3.81Å
150R97.8Very high97.8Very high86 Ų8652.7 Ų52.733%0.32526%0.264SS..Hα-helixtrans-60.8-47.8174.7-68.9-166.1-60.2136.83.9111.8Y146 A147 L148 F152 Q153 D154 E280Y146-R150 HydrophobicContact CD1-CG 4.34Å; Y146-R150 VanDerWaalsContact CE1-CD 3.43Å; Y146-R150 HydrophobicContact CE1-CG 3.89Å; Y146-R150 HydrophobicContact CE2-CG 4.4Å; Y146-R150 PolarHBondContact O-N 3.1Å; A147-R150 WeakPolarHBondContact O-CB 3.46Å; A147-R150 PolarHBondContact O-N 3.42Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 2.58Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 3.45Å; R150-Q153 PolarHBondContact O-N 2.83Å; R150-D154 VanDerWaalsContact O-CB 3.24Å; R150-D154 WeakPolarHBondContact O-CB 3.28Å; R150-D154 PolarHBondContact O-N 2.8Å; R150-E280 IonicContact NH2-OE1 3.55Å; R150-E280 IonicContact NH2-OE2 3.63Å; R150-E280 PolarHBondContact NH2-OE2 2.8Å
151Y98.3Very high97.9Very high15 Ų1561.2 Ų61.26%0.05930%0.304CS..Hα-helixtrans-51.4-47.2178.2172.3-85.7000112.2A147 L148 K155 L269 D272 I273 F276A147-Y151 PolarHBondContact O-N 3.4Å; L148-Y151 WeakPolarHBondContact O-CB 3.42Å; L148-Y151 PolarHBondContact O-N 3.19Å; Y151-K155 HydrophobicContact CD1-CD 4.39Å; Y151-K155 HydrophobicContact CE1-CD 3.84Å; Y151-K155 HydrophobicContact CE2-CD 4.03Å; Y151-K155 VanDerWaalsContact CE2-CE 3.4Å; Y151-K155 WeakPolarHBondContact O-CB 3.45Å; Y151-K155 WeakPolarHBondContact O-CG 3.47Å; Y151-K155 PolarHBondContact O-N 3.01Å; Y151-K155 WeakPolarHBondContact OH-CE 3.49Å; Y151-L269 HydrophobicContact CE1-CD1 4.22Å; Y151-L269 WeakPolarHBondContact OH-CD1 3.07Å; Y151-D272 WeakPolarHBondContact OH-CB 3.48Å; Y151-I273 HydrophobicContact CD1-CG1 4.19Å; Y151-I273 HydrophobicContact CE1-CD1 4.28Å; Y151-I273 HydrophobicContact CE1-CG1 3.52Å; Y151-F276 HydrophobicContact CD2-CB 4Å; Y151-F276 AromaticContact CD2-CD1 3.8Å; Y151-F276 HydrophobicContact CD2-CD1 3.8Å; Y151-F276 AromaticContact CD2-CD2 3.79Å; Y151-F276 HydrophobicContact CD2-CD2 3.79Å; Y151-F276 HydrophobicContact CD2-CE1 4.21Å; Y151-F276 HydrophobicContact CD2-CE2 4.19Å; Y151-F276 AromaticContact CD2-CG 3.57Å; Y151-F276 HydrophobicContact CD2-CG 3.57Å; Y151-F276 HydrophobicContact CD2-CZ 4.38Å; Y151-F276 HydrophobicContact CE2-CB 4.08Å; Y151-F276 HydrophobicContact CE2-CG 4.17Å; Y151-F276 HydrophobicContact CG-CD1 4.14Å; Y151-F276 HydrophobicContact CG-CE1 4.26Å; Y151-F276 HydrophobicContact CG-CG 4.36Å
152F98.6Very high97.8Very high0 Ų060.8 Ų60.80%031%0.306CS..Hα-helixtrans-70.3-46.2179.5-77.3-66.8000112.5L148 H149 R150 K155 G156 F157 Y230 L253 V255 I273L148-F152 WeakPolarHBondContact O-CD2 3.23Å; L148-F152 PolarHBondContact O-N 3.28Å; L148-F152 VanDerWaalsContact O-N 3.1Å; H149-F152 PolarHBondContact O-N 3.26Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 3.45Å; F152-K155 CarbonylContact O-C 3.54Å; F152-K155 PolarHBondContact O-N 3.35Å; F152-G156 PolarHBondContact O-N 2.98Å; F152-F157 HydrophobicContact CB-CB 3.93Å; F152-F157 HydrophobicContact CB-CG 4.38Å; F152-F157 HydrophobicContact CD1-CB 4.06Å; F152-F157 AromaticContact CD1-CD1 3.87Å; F152-F157 HydrophobicContact CD1-CD1 3.87Å; F152-F157 AromaticContact CD1-CD2 3.82Å; F152-F157 HydrophobicContact CD1-CD2 3.82Å; F152-F157 HydrophobicContact CD1-CE1 4.23Å; F152-F157 HydrophobicContact CD1-CE2 4.19Å; F152-F157 AromaticContact CD1-CG 3.66Å; F152-F157 HydrophobicContact CD1-CG 3.66Å; F152-F157 HydrophobicContact CD1-CZ 4.39Å; F152-F157 HydrophobicContact CE1-CD1 4.34Å; F152-F157 HydrophobicContact CE1-CE1 4.33Å; F152-F157 HydrophobicContact CE1-CZ 4.5Å; F152-F157 HydrophobicContact CG-CB 4.45Å; F152-F157 HydrophobicContact CG-CG 4.49Å; F152-F157 WeakPolarHBondContact O-CB 3.31Å; F152-F157 PolarHBondContact O-N 2.9Å; F152-Y230 HydrophobicContact CB-CD1 3.84Å; F152-Y230 HydrophobicContact CB-CD2 4.27Å; F152-Y230 HydrophobicContact CB-CE1 3.57Å; F152-Y230 HydrophobicContact CB-CE2 4.04Å; F152-Y230 HydrophobicContact CB-CG 4.16Å; F152-Y230 HydrophobicContact CD1-CD1 4.4Å; F152-Y230 HydrophobicContact CD1-CG 4.17Å; F152-Y230 AromaticContact CD2-CD2 3.71Å; F152-Y230 HydrophobicContact CD2-CD2 3.71Å; F152-Y230 AromaticContact CD2-CE2 3.81Å; F152-Y230 HydrophobicContact CD2-CE2 3.81Å; F152-Y230 HydrophobicContact CD2-CG 4.15Å; F152-Y230 HydrophobicContact CE2-CD2 4.23Å; F152-Y230 HydrophobicContact CG-CD1 4.06Å; F152-Y230 AromaticContact CG-CD2 3.92Å; F152-Y230 HydrophobicContact CG-CD2 3.92Å; F152-Y230 HydrophobicContact CG-CE1 4.21Å; F152-Y230 HydrophobicContact CG-CE2 4.09Å; F152-Y230 AromaticContact CG-CG 3.89Å; F152-Y230 HydrophobicContact CG-CG 3.89Å; F152-L253 HydrophobicContact CD2-CD1 4.14Å; F152-L253 HydrophobicContact CE2-CD1 3.4Å; F152-L253 HydrophobicContact CE2-CD2 3.6Å; F152-L253 HydrophobicContact CE2-CG 4.01Å; F152-L253 HydrophobicContact CZ-CD1 3.87Å; F152-L253 HydrophobicContact CZ-CD2 3.9Å; F152-L253 HydrophobicContact CZ-CG 4.22Å; F152-V255 HydrophobicContact CE1-CG2 3.53Å; F152-V255 HydrophobicContact CZ-CG2 3.61Å; F152-I273 HydrophobicContact CE1-CD1 4.15Å; F152-I273 HydrophobicContact CZ-CD1 3.6Å; F152-I273 HydrophobicContact CZ-CG1 4.26Å
153Q97.1Very high97.8Very high119 Ų11959.5 Ų59.556%0.55630%0.295SS*.Hα-helixtrans-64.2-42.9179.9-72-179.19.900112.1H149 R150 K155 G156H149-Q153 WeakPolarHBondContact O-CB 3.45Å; H149-Q153 WeakPolarHBondContact O-CG 3.43Å; H149-Q153 PolarHBondContact O-N 2.98Å; R150-Q153 PolarHBondContact O-N 2.83Å; Q153-K155 PolarHBondContact O-N 3.34Å; Q153-G156 PolarHBondContact O-N 3.26Å
154D97.8Very high97.8Very high129 Ų12958.5 Ų58.569%0.6930%0.297SS*.Hα-helixtrans-63.1-25.1177.2-68.3-17000111.8R150R150-D154 VanDerWaalsContact O-CB 3.24Å; R150-D154 WeakPolarHBondContact O-CB 3.28Å; R150-D154 PolarHBondContact O-N 2.8Å
155K97.6Very high97.6Very high103 Ų10361.8 Ų61.845%0.44831%0.314SS..THydrogen-bonded Turntrans-933.7174.6-74178.4177.2-78.40114Y151 F152 Q153 F157 Q228Y151-K155 HydrophobicContact CD1-CD 4.39Å; Y151-K155 HydrophobicContact CE1-CD 3.84Å; Y151-K155 HydrophobicContact CE2-CD 4.03Å; Y151-K155 VanDerWaalsContact CE2-CE 3.4Å; Y151-K155 WeakPolarHBondContact O-CB 3.45Å; Y151-K155 WeakPolarHBondContact O-CG 3.47Å; Y151-K155 PolarHBondContact O-N 3.01Å; Y151-K155 WeakPolarHBondContact OH-CE 3.49Å; F152-K155 CarbonylContact O-C 3.54Å; F152-K155 PolarHBondContact O-N 3.35Å; Q153-K155 PolarHBondContact O-N 3.34Å; K155-F157 HydrophobicContact CB-CD2 3.87Å; K155-F157 HydrophobicContact CB-CE2 3.97Å; K155-Q228 PolarHBondContact O-NE2 3.41Å
156G97.6Very high97.4Very high50 Ų5059.3 Ų59.352%0.51530%0.304SS..THydrogen-bonded Turntrans80.817.4176.300000115.3F152 Q153 Q228F152-G156 PolarHBondContact O-N 2.98Å; Q153-G156 PolarHBondContact O-N 3.26Å; G156-Q228 PolarHBondContact O-NE2 3.42Å
157F98.6Very high96.9Very high17 Ų1755.1 Ų55.18%0.07529%0.292CS..PPolyproline II helixtrans-75.3143.2171.5-72.7-107.8000111.3F152 K155 Q228 Y230 V255 L257 L269F152-F157 HydrophobicContact CB-CB 3.93Å; F152-F157 HydrophobicContact CB-CG 4.38Å; F152-F157 HydrophobicContact CD1-CB 4.06Å; F152-F157 AromaticContact CD1-CD1 3.87Å; F152-F157 HydrophobicContact CD1-CD1 3.87Å; F152-F157 AromaticContact CD1-CD2 3.82Å; F152-F157 HydrophobicContact CD1-CD2 3.82Å; F152-F157 HydrophobicContact CD1-CE1 4.23Å; F152-F157 HydrophobicContact CD1-CE2 4.19Å; F152-F157 AromaticContact CD1-CG 3.66Å; F152-F157 HydrophobicContact CD1-CG 3.66Å; F152-F157 HydrophobicContact CD1-CZ 4.39Å; F152-F157 HydrophobicContact CE1-CD1 4.34Å; F152-F157 HydrophobicContact CE1-CE1 4.33Å; F152-F157 HydrophobicContact CE1-CZ 4.5Å; F152-F157 HydrophobicContact CG-CB 4.45Å; F152-F157 HydrophobicContact CG-CG 4.49Å; F152-F157 WeakPolarHBondContact O-CB 3.31Å; F152-F157 PolarHBondContact O-N 2.9Å; K155-F157 HydrophobicContact CB-CD2 3.87Å; K155-F157 HydrophobicContact CB-CE2 3.97Å; F157-Q228 HydrophobicContact CD1-CB 3.73Å; F157-Q228 HydrophobicContact CD1-CG 4.39Å; F157-Q228 HydrophobicContact CE1-CB 3.74Å; F157-Q228 HydrophobicContact CG-CB 4.16Å; F157-Q228 HydrophobicContact CG-CG 4.33Å; F157-Q228 HydrophobicContact CZ-CB 4.19Å; F157-Y230 HydrophobicContact CB-CD1 3.76Å; F157-Y230 HydrophobicContact CB-CE1 4.21Å; F157-V255 HydrophobicContact CD1-CG1 4.25Å; F157-V255 HydrophobicContact CE1-CG1 3.55Å; F157-V255 HydrophobicContact CZ-CG1 4.44Å; F157-L257 HydrophobicContact CE1-CD2 3.47Å; F157-L257 VanDerWaalsContact CE1-CD2 3.47Å; F157-L257 HydrophobicContact CZ-CD2 3.71Å; F157-L269 HydrophobicContact CE1-CD2 4.24Å; F157-L269 HydrophobicContact CZ-CD1 4.41Å; F157-L269 HydrophobicContact CZ-CD2 3.76Å
158V98.6Very high96.1Very high62 Ų6255.3 Ų55.338%0.37629%0.292SS..EExtended strand (participates in β ladder)trans-95.9127.9174.3-175.50000109.8I160 L226 Q228 V229 Y230V158-I160 HydrophobicContact CG1-CD1 3.93Å; V158-L226 HydrophobicContact CB-CD1 4.13Å; V158-L226 HydrophobicContact CG1-CD1 4.05Å; V158-L226 HydrophobicContact CG2-CD1 4.3Å; V158-Q228 PolarHBondContact N-O 3.5Å; V158-Q228 VanDerWaalsContact N-O 3.13Å; V158-V229 HydrophobicContact CB-CG1 4.37Å; V158-V229 VanDerWaalsContact O-CA 3.31Å; V158-V229 WeakPolarHBondContact O-CA 3.4Å; V158-Y230 WeakPolarHBondContact O-CD1 3.08Å; V158-Y230 PolarHBondContact O-N 3.11Å
159L98.6Very high95Very high65 Ų6556.3 Ų56.334%0.3430%0.298SS..EExtended strand (participates in β ladder)trans-73.5126.3173.2176.462.9000109.5Y230L159-Y230 CarbonylContact C-O 3.47Å; L159-Y230 VanDerWaalsContact CA-CE1 3.47Å; L159-Y230 WeakPolarHBondContact CA-O 2.92Å; L159-Y230 HydrophobicContact CB-CD1 4.34Å; L159-Y230 HydrophobicContact CB-CE1 3.61Å; L159-Y230 HydrophobicContact CD1-CD2 4.11Å; L159-Y230 HydrophobicContact CD1-CE1 4.22Å; L159-Y230 HydrophobicContact CD1-CE2 3.67Å
160I98.5Very high93.6Very high39 Ų3954.6 Ų54.620%0.229%0.29CS..  trans-117.5120.9176.9-53.4-61.9000109.2V158 C162 L219 A222 L226 V229 Y230V158-I160 HydrophobicContact CG1-CD1 3.93Å; I160-C162 PolarHBondContact O-N 2.86Å; I160-L219 HydrophobicContact CB-CD1 3.78Å; I160-L219 HydrophobicContact CG1-CD1 3.98Å; I160-L219 HydrophobicContact CG2-CD1 4.34Å; I160-A222 HydrophobicContact CD1-CB 4.09Å; I160-A222 HydrophobicContact CG1-CB 3.88Å; I160-A222 HydrophobicContact CG2-CB 4.15Å; I160-L226 HydrophobicContact CD1-CD1 4Å; I160-V229 HydrophobicContact CD1-CG1 4.25Å; I160-V229 HydrophobicContact CG1-CB 3.79Å; I160-V229 HydrophobicContact CG1-CG1 3.87Å; I160-Y230 PolarHBondContact N-O 3.37Å
161E97.6Very high92.1Very high180 Ų18053.4 Ų53.484%0.84129%0.288SS*.  trans-81.696.5172.9-65-177.4159.400109.2
162C96.6Very high90.6Very high27 Ų2754.7 Ų54.718%0.18230%0.302CS..  trans-73.9149.3177.7-64.20000111.1I160 H218I160-C162 PolarHBondContact O-N 2.86Å; C162-H218 HydrophobicContact CB-CB 4.41Å
163P96.2Very high88.9Confident54 Ų5457.6 Ų57.635%0.35133%0.326SS..  trans-65.9136.7179.927.6-34.6000111.4H218P163-H218 VanDerWaalsContact CG-CE1 3.41Å; P163-H218 WeakPolarHBondContact CG-CE1 2.98Å; P163-H218 WeakPolarHBondContact CG-NE2 3.11Å
164V96.2Very high87.4Confident51 Ų5154.9 Ų54.931%0.30933%0.33SS..SBendtrans-82.5-38.2175.4170.60000111.6L211 T212 P234 F236V164-L211 HydrophobicContact CG1-CD2 3.87Å; V164-T212 WeakPolarHBondContact O-CB 3.45Å; V164-T212 PolarHBondContact O-N 3.31Å; V164-P234 HydrophobicContact CG2-CG 3.98Å; V164-F236 HydrophobicContact CG1-CD2 4.44Å; V164-F236 HydrophobicContact CG1-CE2 3.6Å; V164-F236 HydrophobicContact CG1-CZ 4.26Å
165I94.5Very high86.5Confident75 Ų7552.7 Ų52.739%0.38532%0.316SS..EExtended strand (participates in β ladder)trans-87.2125.4175.2-62169.6000107.8F205 V209 Y210I165-F205 HydrophobicContact CD1-CE2 4.48Å; I165-F205 HydrophobicContact CD1-CZ 4.47Å; I165-F205 HydrophobicContact CG2-CE2 3.96Å; I165-F205 HydrophobicContact CG2-CZ 4.3Å; I165-V209 HydrophobicContact CG2-CB 3.73Å; I165-V209 HydrophobicContact CG2-CG1 4.2Å; I165-V209 HydrophobicContact CG2-CG2 3.86Å; I165-Y210 CarbonylContact C-O 3.51Å; I165-Y210 WeakPolarHBondContact CA-O 3.49Å
166T92Very high86Confident8 Ų849.2 Ų49.25%0.04930%0.303CS..EExtended strand (participates in β ladder)trans-139.1158.2-173.2-179.70000111.7N168 V209 Y210T166-N168 WeakPolarHBondContact CG2-O 3.27Å; T166-N168 PolarHBondContact OG1-N 2.92Å; T166-N168 PolarHBondContact OG1-ND2 3.02Å; T166-N168 VanDerWaalsContact OG1-ND2 3.07Å; T166-N168 PolarHBondContact OG1-O 3.16Å; T166-V209 CarbonylContact O-C 3.51Å; T166-V209 WeakPolarHBondContact O-CA 3.21Å; T166-Y210 PolarHBondContact N-O 3.12Å; T166-Y210 PolarHBondContact O-N 2.81Å
167T87.8Confident85.7Confident37 Ų3750.5 Ų50.523%0.22730%0.295CS..SBendtrans-95.8-4.9173.653.60000112.9R207 V209 Q417T167-R207 HydrophobicContact CG2-CG 4.1Å; T167-V209 HydrophobicContact CG2-CG1 4.03Å; T167-Q417 VanDerWaalsContact O-CD 3.3Å; T167-Q417 PolarHBondContact O-OE1 3.21Å
168N81.9Confident85.3Confident6 Ų653.8 Ų53.83%0.03231%0.312CS..SBendtrans-126.2156.9-176.36878.2000111.6T166 C170 L418T166-N168 WeakPolarHBondContact CG2-O 3.27Å; T166-N168 PolarHBondContact OG1-N 2.92Å; T166-N168 PolarHBondContact OG1-ND2 3.02Å; T166-N168 VanDerWaalsContact OG1-ND2 3.07Å; T166-N168 PolarHBondContact OG1-O 3.16Å; N168-C170 PolarHBondContact OD1-N 2.88Å; N168-C170 VanDerWaalsContact OD1-N 3.13Å; N168-L418 HydrophobicContact CB-CD2 3.87Å; N168-L418 HydrophobicContact CB-CG 4.46Å
169D74Confident84.9Confident21 Ų2153 Ų5311%0.11231%0.308CS..  trans-92.97.2179.1-179.322.8000112.9E171 A172 A173 G174 T176 V213D169-E171 PolarHBondContact O-N 3.38Å; D169-A172 PolarHBondContact O-N 2.86Å; D169-A172 WeakPolarHBondContact OD2-CA 3.26Å; D169-A172 PolarHBondContact OD2-N 3.41Å; D169-A173 PolarHBondContact OD2-N 3.14Å; D169-G174 WeakPolarHBondContact OD2-CA 3.45Å; D169-G174 PolarHBondContact OD2-N 3.43Å; D169-T176 HydrophobicContact CB-CG2 3.77Å; D169-T176 VanDerWaalsContact CG-CG2 3.4Å; D169-T176 WeakPolarHBondContact OD1-CG2 3.42Å; D169-V213 WeakPolarHBondContact O-CG2 3.41Å; D169-V213 WeakPolarHBondContact OD1-CG1 3.4Å
170C69.9Low84.2Confident3 Ų353.7 Ų53.72%0.0231%0.312CS..THydrogen-bonded Turntrans52.8-62-177.6-168.30000116.8N168 V213 F368N168-C170 PolarHBondContact OD1-N 2.88Å; N168-C170 VanDerWaalsContact OD1-N 3.13Å; C170-V213 HydrophobicContact CB-CG2 3.72Å; C170-F368 WeakPolarHBondContact O-CE1 3.24Å
171E66.6Low83.4Confident60 Ų6056.3 Ų56.328%0.2833%0.33SS..THydrogen-bonded Turntrans-86.5-17.4176.4-61.7-177.5-162.900113.5D169 A173 V213 R237D169-E171 PolarHBondContact O-N 3.38Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 2.91Å; E171-V213 HydrophobicContact CB-CG2 4.49Å; E171-V213 HydrophobicContact CG-CG2 4.19Å; E171-R237 IonicContact OE1-NH2 3.63Å; E171-R237 PolarHBondContact OE1-NH2 3.32Å; E171-R237 IonicContact OE2-NH2 2.83Å
172A66.6Low82.3Confident42 Ų4251.5 Ų51.535%0.34731%0.309SS..  trans59.433.6-176.500000114.4D169 M412 M414D169-A172 PolarHBondContact O-N 2.86Å; D169-A172 WeakPolarHBondContact OD2-CA 3.26Å; D169-A172 PolarHBondContact OD2-N 3.41Å; A172-M412 HydrophobicContact CB-CE 3.24Å; A172-M414 HydrophobicContact CB-CE 3.73Å
173A62.3Low80.9Confident61 Ų6157.4 Ų57.450%0.50434%0.339SS..  trans-82.1-12.9178.800000113.6D169 E171 E175D169-A173 PolarHBondContact OD2-N 3.14Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 2.91Å; A173-E175 VanDerWaalsContact C-N 3.31Å; A173-E175 PolarHBondContact O-N 3.01Å
174G66.3Low79.2Confident63 Ų6360 Ų6065%0.64936%0.356SS*.SBendtrans80.83.7179.400000114.8D169 T176D169-G174 WeakPolarHBondContact OD2-CA 3.45Å; D169-G174 PolarHBondContact OD2-N 3.43Å; G174-T176 PolarHBondContact O-N 3.47Å
175E78.5Confident77.3Confident83 Ų8361 Ų6139%0.38836%0.363SS..  trans-101.952.9-172.6-62.7-175.6133.500111.9A173 A238 E239A173-E175 VanDerWaalsContact C-N 3.31Å; A173-E175 PolarHBondContact O-N 3.01Å; E175-A238 WeakPolarHBondContact O-CB 3.28Å; E175-A238 PolarHBondContact O-N 2.79Å; E175-E239 HydrophobicContact CB-CG 4.44Å; E175-E239 HydrophobicContact CG-CG 4.48Å; E175-E239 WeakPolarHBondContact OE2-CG 3.47Å
176T87.7Confident75.1Confident29 Ų2967.4 Ų67.418%0.17838%0.384CS..PPolyproline II helixtrans-103.1152.9178.761.50000112.9D169 G174 Y210 V213D169-T176 HydrophobicContact CB-CG2 3.77Å; D169-T176 VanDerWaalsContact CG-CG2 3.4Å; D169-T176 WeakPolarHBondContact OD1-CG2 3.42Å; G174-T176 PolarHBondContact O-N 3.47Å; T176-Y210 WeakPolarHBondContact OG1-CD1 3.42Å; T176-V213 HydrophobicContact CG2-CG1 3.9Å
177F91.1Very high73Confident78 Ų7870.1 Ų70.134%0.34240%0.398SS..PPolyproline II helixtrans-86.2125.2167.1-70.6-81.8000109.7Y210 L211 F236 A238 A248F177-Y210 CarbonylContact O-C 3.58Å; F177-Y210 WeakPolarHBondContact O-CA 3.4Å; F177-Y210 WeakPolarHBondContact O-CB 3.44Å; F177-L211 HydrophobicContact CB-CB 4.2Å; F177-L211 HydrophobicContact CB-CD1 3.95Å; F177-L211 HydrophobicContact CB-CG 4.15Å; F177-L211 HydrophobicContact CD2-CD1 4.47Å; F177-L211 HydrophobicContact CG-CD1 4.41Å; F177-L211 PolarHBondContact O-N 3.08Å; F177-F236 HydrophobicContact CD2-CB 3.9Å; F177-F236 HydrophobicContact CE2-CB 4.29Å; F177-A238 HydrophobicContact CD1-CB 4.17Å; F177-A238 HydrophobicContact CD2-CB 3.93Å; F177-A238 HydrophobicContact CE1-CB 4.04Å; F177-A238 HydrophobicContact CE2-CB 3.81Å; F177-A238 HydrophobicContact CG-CB 4.11Å; F177-A238 HydrophobicContact CZ-CB 3.86Å; F177-A248 HydrophobicContact CE2-CB 4.19Å; F177-A248 HydrophobicContact CZ-CB 3.99Å
178L89.4Confident70.9Confident85 Ų8575.8 Ų75.845%0.44542%0.422SS..EExtended strand (participates in β ladder)trans-70.4136169.7-178.570.3000109.9P208 Y210L178-P208 HydrophobicContact CD1-CB 4.32Å; L178-Y210 HydrophobicContact CB-CD1 4.4Å; L178-Y210 HydrophobicContact CB-CE1 4.46Å; L178-Y210 HydrophobicContact CD1-CD1 4.17Å; L178-Y210 HydrophobicContact CD1-CE1 3.79Å
179V89.5Confident69.1Low46 Ų4681.6 Ų81.628%0.27946%0.463SS..EExtended strand (participates in β ladder)trans-112.3118.6173.3-179.50000108V209 L211V179-V209 HydrophobicContact CB-CG2 4.14Å; V179-V209 PolarHBondContact N-O 3.49Å; V179-V209 WeakPolarHBondContact O-CG2 3.29Å; V179-L211 HydrophobicContact CG2-CD2 3.63Å; V179-L211 HydrophobicContact CG2-CG 3.64Å
180D84.6Confident68Low80 Ų8084.4 Ų84.443%0.42850%0.497SS..  trans-134.8151.8177.8-153.7-26.2000110L182D180-L182 PolarHBondContact OD1-N 2.79Å
181T82.1Confident66.6Low94 Ų9491.8 Ų91.858%0.57753%0.531SS*.  trans-100.1-16.5174.653.20000112.5F204T181-F204 HydrophobicContact CG2-CB 3.84Å; T181-F204 HydrophobicContact CG2-CG 4.44Å
182L73.9Confident65.4Low78 Ų7895.5 Ų95.541%0.40855%0.553SS.*SBendtrans-72.4142.3179-62.4174.2000109.9D180 C200D180-L182 PolarHBondContact OD1-N 2.79Å; L182-C200 HydrophobicContact CD1-CB 4.29Å
183D67.8Low64.6Low152 Ų15298.8 Ų98.881%0.81357%0.568SS**PPolyproline II helixtrans-56.3130.4164.8-77.1-37.2000107.3
184P61.2Low63.7Low107 Ų10799.8 Ų99.870%0.69558%0.577SS**PPolyproline II helixtrans-53.6134.6173.121.9-29.9000107.1Y186P184-Y186 PolarHBondContact O-N 2.84Å
185P54.8Low62.6Low73 Ų73105.3 Ų105.347%0.47459%0.586SS.*PPolyproline II helixtrans-50.3135.1176.920.9-31.1000107.4I187 V196P185-I187 VanDerWaalsContact C-N 3.28Å; P185-I187 WeakPolarHBondContact O-CG1 3.31Å; P185-I187 PolarHBondContact O-N 2.85Å; P185-V196 HydrophobicContact CG-CB 4.43Å; P185-V196 HydrophobicContact CG-CG1 3.82Å; P185-V196 HydrophobicContact CG-CG2 3.75Å
186Y49.1Very low61.2Low210 Ų210104 Ų10482%0.82458%0.583SS**  trans-60.495.9177.8-171.4-91.9000107.8P184 E188P184-Y186 PolarHBondContact O-N 2.84Å; Y186-E188 HydrophobicContact CD1-CG 4.12Å; Y186-E188 HydrophobicContact CE1-CG 3.97Å; Y186-E188 PolarHBondContact O-N 3.2Å
187I47.9Very low59.3Low65 Ų65108 Ų10833%0.33360%0.603SS.*  trans-78.9103.7175.3-56.1-178.4000105.4P185 S189 E191 V193 V196P185-I187 VanDerWaalsContact C-N 3.28Å; P185-I187 WeakPolarHBondContact O-CG1 3.31Å; P185-I187 PolarHBondContact O-N 2.85Å; I187-S189 PolarHBondContact O-N 3.42Å; I187-E191 HydrophobicContact CG2-CB 4.17Å; I187-V193 HydrophobicContact CD1-CB 4.34Å; I187-V193 HydrophobicContact CD1-CG1 4.06Å; I187-V193 HydrophobicContact CD1-CG2 4.21Å; I187-V196 HydrophobicContact CD1-CG2 4.07Å
188E42.6Very low57.5Low155 Ų155110.9 Ų110.972%0.72462%0.616SS**  trans-54.2128.9163.4-75.9-171.2169.800107.9Y186 G190Y186-E188 HydrophobicContact CD1-CG 4.12Å; Y186-E188 HydrophobicContact CE1-CG 3.97Å; Y186-E188 PolarHBondContact O-N 3.2Å; E188-G190 PolarHBondContact O-N 2.98Å
189S44.9Very low55.7Low128 Ų128111.7 Ų111.790%0.89563%0.625SS**THydrogen-bonded Turntrans-48110.2-172.754.10000112.1I187I187-S189 PolarHBondContact O-N 3.42Å
190G51.1Low54Low81 Ų81112 Ų11284%0.83563%0.628SS**THydrogen-bonded Turntrans147.2-19.6173.400000116.1E188E188-G190 PolarHBondContact O-N 2.98Å
191E39.9Very low52.6Low157 Ų157112.2 Ų112.273%0.73464%0.636SS**SBendtrans-96.4138.2-179.2-65.4-17316200112.9I187 V193I187-E191 HydrophobicContact CG2-CB 4.17Å; E191-V193 PolarHBondContact O-N 2.86Å
192D43Very low51.9Low139 Ų139113.4 Ų113.474%0.74364%0.639SS**  trans-62.4117.8-177.8-118.7-30.6000110.5A194 Q195D192-A194 PolarHBondContact O-N 3.25Å; D192-Q195 PolarHBondContact O-N 3.41Å
193V48.4Very low51.9Low110 Ų110110.5 Ų110.567%0.66762%0.623SS**G310 helixtrans-56-12.1179.4-162.90000112.7I187 E191 Q195I187-V193 HydrophobicContact CD1-CB 4.34Å; I187-V193 HydrophobicContact CD1-CG1 4.06Å; I187-V193 HydrophobicContact CD1-CG2 4.21Å; E191-V193 PolarHBondContact O-N 2.86Å; V193-Q195 VanDerWaalsContact C-N 3.26Å; V193-Q195 PolarHBondContact O-N 2.63Å
194A44.9Very low52.8Low82 Ų82110.5 Ų110.568%0.67862%0.617SS**G310 helixtrans-67.9-16.9177.900000114.7D192D192-A194 PolarHBondContact O-N 3.25Å
195Q41.8Very low54.1Low180 Ų180110.2 Ų110.284%0.84161%0.605SS**G310 helixtrans-101.24.8-177.4-72.6-149.1-2.400115.9D192 V193 D197D192-Q195 PolarHBondContact O-N 3.41Å; V193-Q195 VanDerWaalsContact C-N 3.26Å; V193-Q195 PolarHBondContact O-N 2.63Å; Q195-D197 PolarHBondContact O-N 3.46Å
196V49.1Very low55.6Low56 Ų56109 Ų10934%0.33961%0.606SS.*SBendtrans-60.7115.5168.3179.60000107.5P185 I187 K198P185-V196 HydrophobicContact CG-CB 4.43Å; P185-V196 HydrophobicContact CG-CG1 3.82Å; P185-V196 HydrophobicContact CG-CG2 3.75Å; I187-V196 HydrophobicContact CD1-CG2 4.07Å; V196-K198 PolarHBondContact O-N 3.29Å
197D48.5Very low57.2Low111 Ų111104.6 Ų104.659%0.59459%0.588SS**  trans-57.998.6-177.7-170.6-6.6000109Q195 T199Q195-D197 PolarHBondContact O-N 3.46Å; D197-T199 VanDerWaalsContact CG-OG1 3.3Å; D197-T199 PolarHBondContact O-N 2.99Å; D197-T199 WeakPolarHBondContact OD1-CB 3.47Å; D197-T199 PolarHBondContact OD1-N 3.05Å; D197-T199 VanDerWaalsContact OD1-N 3.09Å; D197-T199 PolarHBondContact OD1-OG1 3.42Å; D197-T199 PolarHBondContact OD2-OG1 2.63Å
198K52.8Low59Low139 Ų139103.5 Ų103.560%0.60459%0.585SS**THydrogen-bonded Turntrans-64.63.2-179.8-65.4-174.8-178.7179.10112.1V196 P208V196-K198 PolarHBondContact O-N 3.29Å; K198-P208 WeakPolarHBondContact O-CG 3.41Å
199T52.8Low61.2Low103 Ų10396.5 Ų96.563%0.63255%0.552SS**THydrogen-bonded Turntrans-105.812.9-174.971.10000114.5D197 S201D197-T199 VanDerWaalsContact CG-OG1 3.3Å; D197-T199 PolarHBondContact O-N 2.99Å; D197-T199 WeakPolarHBondContact OD1-CB 3.47Å; D197-T199 PolarHBondContact OD1-N 3.05Å; D197-T199 VanDerWaalsContact OD1-N 3.09Å; D197-T199 PolarHBondContact OD1-OG1 3.42Å; D197-T199 PolarHBondContact OD2-OG1 2.63Å; T199-S201 PolarHBondContact O-N 3.45Å
200C51.9Low63.5Low51 Ų5192.9 Ų92.935%0.34552%0.52SS..  trans-53.8112.6177.6-168.70000111.4L182 D202 N203L182-C200 HydrophobicContact CD1-CB 4.29Å; C200-D202 PolarHBondContact O-N 2.92Å; C200-D202 VanDerWaalsContact O-N 3.1Å; C200-N203 PolarHBondContact O-N 3.37Å; C200-N203 PolarHBondContact O-ND2 2.95Å
201S55.7Low65.6Low86 Ų8690.9 Ų90.960%0.60149%0.489SS*.THydrogen-bonded Turntrans-61.1-14.6178.253.60000113.5T199T199-S201 PolarHBondContact O-N 3.45Å
202D68.6Low68.2Low119 Ų11983.6 Ų83.664%0.63646%0.456SS*.THydrogen-bonded Turntrans-94.26.4-171.5-60.1-6.1000112.7C200C200-D202 PolarHBondContact O-N 2.92Å; C200-D202 VanDerWaalsContact O-N 3.1Å
203N74.3Confident70.6Confident16 Ų1677.3 Ų77.39%0.08642%0.422CS..SBendtrans-63.2154.3168.870.862.4000110.5C200 F205 G206 R207C200-N203 PolarHBondContact O-N 3.37Å; C200-N203 PolarHBondContact O-ND2 2.95Å; N203-F205 PolarHBondContact O-N 3.43Å; N203-F205 PolarHBondContact OD1-N 2.58Å; N203-F205 VanDerWaalsContact OD1-N 3.13Å; N203-G206 PolarHBondContact O-N 3.25Å; N203-G206 WeakPolarHBondContact OD1-CA 3.44Å; N203-G206 PolarHBondContact OD1-N 3.09Å; N203-R207 VanDerWaalsContact CG-C 3.5Å; N203-R207 VanDerWaalsContact CG-N 3.35Å; N203-R207 VanDerWaalsContact CG-O 3.28Å; N203-R207 VanDerWaalsContact ND2-CA 3.27Å; N203-R207 WeakPolarHBondContact ND2-CA 3.36Å; N203-R207 PolarHBondContact ND2-N 2.76Å; N203-R207 VanDerWaalsContact ND2-N 3.12Å; N203-R207 PolarHBondContact ND2-O 2.87Å; N203-R207 PolarHBondContact OD1-N 2.76Å; N203-R207 PolarHBondContact OD1-O 2.9Å
204F86.1Confident72.9Confident153 Ų15372.3 Ų72.367%0.67139%0.393SS*.THydrogen-bonded Turntrans-52.4-30.4-173.8-175.5-89.4000114.9T181T181-F204 HydrophobicContact CG2-CB 3.84Å; T181-F204 HydrophobicContact CG2-CG 4.44Å
205F87.7Confident75.3Confident100 Ų10068.5 Ų68.544%0.43936%0.361SS..THydrogen-bonded Turntrans-101.97.5-178.1-65.3-76000113.8I165 N203 R207 V209I165-F205 HydrophobicContact CD1-CE2 4.48Å; I165-F205 HydrophobicContact CD1-CZ 4.47Å; I165-F205 HydrophobicContact CG2-CE2 3.96Å; I165-F205 HydrophobicContact CG2-CZ 4.3Å; N203-F205 PolarHBondContact O-N 3.43Å; N203-F205 PolarHBondContact OD1-N 2.58Å; N203-F205 VanDerWaalsContact OD1-N 3.13Å; F205-R207 PolarHBondContact O-N 2.9Å; F205-R207 VanDerWaalsContact O-N 3.15Å; F205-V209 HydrophobicContact CB-CG1 3.9Å; F205-V209 HydrophobicContact CD2-CB 4.27Å; F205-V209 HydrophobicContact CD2-CG1 3.79Å; F205-V209 HydrophobicContact CD2-CG2 3.55Å; F205-V209 HydrophobicContact CE2-CG2 4.02Å; F205-V209 HydrophobicContact CG-CG1 3.99Å
206G85.8Confident78Confident49 Ų4960.5 Ų60.551%0.50532%0.324SS..SBendtrans62.412.6-174.500000114.5N203N203-G206 PolarHBondContact O-N 3.25Å; N203-G206 WeakPolarHBondContact OD1-CA 3.44Å; N203-G206 PolarHBondContact OD1-N 3.09Å
207R84.2Confident80.2Confident117 Ų11757.9 Ų57.944%0.44231%0.308SS..SBendtrans-163.8154.7177.367.3-169.572-168.52.3111T167 N203 F205 V209 H416T167-R207 HydrophobicContact CG2-CG 4.1Å; N203-R207 VanDerWaalsContact CG-C 3.5Å; N203-R207 VanDerWaalsContact CG-N 3.35Å; N203-R207 VanDerWaalsContact CG-O 3.28Å; N203-R207 VanDerWaalsContact ND2-CA 3.27Å; N203-R207 WeakPolarHBondContact ND2-CA 3.36Å; N203-R207 PolarHBondContact ND2-N 2.76Å; N203-R207 VanDerWaalsContact ND2-N 3.12Å; N203-R207 PolarHBondContact ND2-O 2.87Å; N203-R207 PolarHBondContact OD1-N 2.76Å; N203-R207 PolarHBondContact OD1-O 2.9Å; F205-R207 PolarHBondContact O-N 2.9Å; F205-R207 VanDerWaalsContact O-N 3.15Å; R207-V209 PolarHBondContact O-N 3.08Å; R207-H416 PolarHBondContact NH1-CE1 2.92Å
208P84.1Confident82.5Confident41 Ų4155.1 Ų55.127%0.26629%0.291SS..  trans-56.7135.1175.9-27.738.6000112.2L178 K198 Y210L178-P208 HydrophobicContact CD1-CB 4.32Å; K198-P208 WeakPolarHBondContact O-CG 3.41Å; P208-Y210 HydrophobicContact CB-CE2 4.36Å
209V90.3Very high84.6Confident8 Ų848.5 Ų48.55%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-129.5155.5176.2-67.80000110.5I165 T166 T167 V179 F205 R207I165-V209 HydrophobicContact CG2-CB 3.73Å; I165-V209 HydrophobicContact CG2-CG1 4.2Å; I165-V209 HydrophobicContact CG2-CG2 3.86Å; T166-V209 CarbonylContact O-C 3.51Å; T166-V209 WeakPolarHBondContact O-CA 3.21Å; T167-V209 HydrophobicContact CG2-CG1 4.03Å; V179-V209 HydrophobicContact CB-CG2 4.14Å; V179-V209 PolarHBondContact N-O 3.49Å; V179-V209 WeakPolarHBondContact O-CG2 3.29Å; F205-V209 HydrophobicContact CB-CG1 3.9Å; F205-V209 HydrophobicContact CD2-CB 4.27Å; F205-V209 HydrophobicContact CD2-CG1 3.79Å; F205-V209 HydrophobicContact CD2-CG2 3.55Å; F205-V209 HydrophobicContact CE2-CG2 4.02Å; F205-V209 HydrophobicContact CG-CG1 3.99Å; R207-V209 PolarHBondContact O-N 3.08Å
210Y92.2Very high86.8Confident53 Ų5343.6 Ų43.621%0.20823%0.232CC..EExtended strand (participates in β ladder)trans-134.4162.3-170.9-52.2-85.5000110.9I165 T166 T176 F177 L178 P208I165-Y210 CarbonylContact C-O 3.51Å; I165-Y210 WeakPolarHBondContact CA-O 3.49Å; T166-Y210 PolarHBondContact N-O 3.12Å; T166-Y210 PolarHBondContact O-N 2.81Å; T176-Y210 WeakPolarHBondContact OG1-CD1 3.42Å; F177-Y210 CarbonylContact O-C 3.58Å; F177-Y210 WeakPolarHBondContact O-CA 3.4Å; F177-Y210 WeakPolarHBondContact O-CB 3.44Å; L178-Y210 HydrophobicContact CB-CD1 4.4Å; L178-Y210 HydrophobicContact CB-CE1 4.46Å; L178-Y210 HydrophobicContact CD1-CD1 4.17Å; L178-Y210 HydrophobicContact CD1-CE1 3.79Å; P208-Y210 HydrophobicContact CB-CE2 4.36Å
211L94.9Very high88.9Confident38 Ų3842.9 Ų42.920%0.19923%0.23CC..EExtended strand (participates in β ladder)trans-77.3134.4163.7-62.3180000110.1V164 F177 V179 F236V164-L211 HydrophobicContact CG1-CD2 3.87Å; F177-L211 HydrophobicContact CB-CB 4.2Å; F177-L211 HydrophobicContact CB-CD1 3.95Å; F177-L211 HydrophobicContact CB-CG 4.15Å; F177-L211 HydrophobicContact CD2-CD1 4.47Å; F177-L211 HydrophobicContact CG-CD1 4.41Å; F177-L211 PolarHBondContact O-N 3.08Å; V179-L211 HydrophobicContact CG2-CD2 3.63Å; V179-L211 HydrophobicContact CG2-CG 3.64Å; L211-F236 HydrophobicContact CB-CB 3.87Å; L211-F236 HydrophobicContact CB-CD1 4.41Å; L211-F236 HydrophobicContact CB-CD2 3.62Å; L211-F236 HydrophobicContact CB-CE2 4.27Å; L211-F236 HydrophobicContact CB-CG 3.7Å; L211-F236 HydrophobicContact CD1-CB 4.42Å; L211-F236 HydrophobicContact CD1-CD1 3.64Å; L211-F236 HydrophobicContact CD1-CD2 4.19Å; L211-F236 HydrophobicContact CD1-CE1 3.83Å; L211-F236 HydrophobicContact CD1-CE2 4.4Å; L211-F236 HydrophobicContact CD1-CG 3.81Å; L211-F236 HydrophobicContact CD1-CZ 4.21Å; L211-F236 HydrophobicContact CD2-CE2 4.44Å; L211-F236 HydrophobicContact CG-CD2 4.35Å; L211-F236 HydrophobicContact CG-CG 4.35Å
212T95.1Very high90.9Very high5 Ų539.9 Ų39.93%0.03121%0.21CC..  trans-67.9138.8-174.3-168.20000113.1V164 S214 F236V164-T212 WeakPolarHBondContact O-CB 3.45Å; V164-T212 PolarHBondContact O-N 3.31Å; T212-S214 PolarHBondContact OG1-N 3.4Å; T212-S214 PolarHBondContact OG1-O 2.85Å; T212-F236 PolarHBondContact O-N 3.06Å
213V94.5Very high92.3Very high6 Ų634.2 Ų34.24%0.03618%0.18CC..SBendtrans-85.1-20.4169.2-49.10000112.1D169 C170 E171 T176 T235 F236 M252D169-V213 WeakPolarHBondContact O-CG2 3.41Å; D169-V213 WeakPolarHBondContact OD1-CG1 3.4Å; C170-V213 HydrophobicContact CB-CG2 3.72Å; E171-V213 HydrophobicContact CB-CG2 4.49Å; E171-V213 HydrophobicContact CG-CG2 4.19Å; T176-V213 HydrophobicContact CG2-CG1 3.9Å; V213-T235 WeakPolarHBondContact O-CB 3.48Å; V213-F236 WeakPolarHBondContact CA-O 3Å; V213-F236 WeakPolarHBondContact CG1-O 3.39Å; V213-M252 VanDerWaalsContact O-CE 3.26Å; V213-M252 WeakPolarHBondContact O-CE 3.28Å
214S95.6Very high93.4Very high6 Ų636 Ų364%0.04219%0.193CC..  trans-167.9140.6-176160.20000111.3T212 Q216 E254T212-S214 PolarHBondContact OG1-N 3.4Å; T212-S214 PolarHBondContact OG1-O 2.85Å; S214-Q216 VanDerWaalsContact C-N 3.31Å; S214-Q216 WeakPolarHBondContact OG-CB 3.46Å; S214-Q216 PolarHBondContact OG-N 2.87Å; S214-Q216 VanDerWaalsContact OG-N 3.09Å; S214-E254 WeakPolarHBondContact CB-OE1 3.22Å; S214-E254 PolarHBondContact OG-OE1 3.12Å
215G96.2Very high93.9Very high2 Ų232 Ų322%0.02120%0.196CC..SBendtrans-82.5-4.2173.900000114L217 H218 L219 E254G215-L217 PolarHBondContact O-N 2.68Å; G215-L217 VanDerWaalsContact O-N 3.17Å; G215-H218 PolarHBondContact O-N 3.29Å; G215-L219 PolarHBondContact O-N 3.19Å; G215-E254 WeakPolarHBondContact CA-OE2 3.37Å; G215-E254 VanDerWaalsContact N-CD 3.31Å; G215-E254 PolarHBondContact N-OE1 2.75Å; G215-E254 PolarHBondContact N-OE2 2.85Å
216Q97.4Very high94.4Very high12 Ų1230.6 Ų30.66%0.05619%0.192CC..Hα-helixtrans-47.5-49.2-169.2-171.2-167.3-80.200114S214 H218 L219 E220 E254 E256 R398S214-Q216 VanDerWaalsContact C-N 3.31Å; S214-Q216 WeakPolarHBondContact OG-CB 3.46Å; S214-Q216 PolarHBondContact OG-N 2.87Å; S214-Q216 VanDerWaalsContact OG-N 3.09Å; Q216-H218 VanDerWaalsContact C-N 3.3Å; Q216-H218 PolarHBondContact O-N 3.13Å; Q216-L219 CarbonylContact O-C 3.59Å; Q216-L219 WeakPolarHBondContact O-CA 3.34Å; Q216-L219 WeakPolarHBondContact O-CB 3.36Å; Q216-L219 PolarHBondContact O-N 3.15Å; Q216-L219 VanDerWaalsContact O-N 3.08Å; Q216-E220 PolarHBondContact NE2-OE1 3.11Å; Q216-E220 PolarHBondContact O-N 3.02Å; Q216-E254 PolarHBondContact N-OE1 2.79Å; Q216-E256 WeakPolarHBondContact CG-OE1 3.39Å; Q216-R398 VanDerWaalsContact CD-CZ 3.41Å; Q216-R398 VanDerWaalsContact OE1-CZ 3.29Å
217L95.7Very high94.9Very high1 Ų134.7 Ų34.71%0.00520%0.196CC..Hα-helixtrans-62.7-37.5-175.8-53-174000112.5G215 A221 Y369 L418 W420 Y421G215-L217 PolarHBondContact O-N 2.68Å; G215-L217 VanDerWaalsContact O-N 3.17Å; L217-A221 PolarHBondContact O-N 3.5Å; L217-Y369 HydrophobicContact CD2-CD1 4.38Å; L217-L418 HydrophobicContact CD1-CD2 3.7Å; L217-W420 HydrophobicContact CB-CH2 3.95Å; L217-W420 HydrophobicContact CB-CZ2 4.29Å; L217-W420 WeakPolarHBondContact O-CH2 3.28Å; L217-Y421 HydrophobicContact CB-CD2 3.89Å; L217-Y421 HydrophobicContact CB-CE2 4Å; L217-Y421 HydrophobicContact CD2-CD1 4.47Å; L217-Y421 HydrophobicContact CD2-CD2 4.04Å; L217-Y421 HydrophobicContact CD2-CE1 4.01Å; L217-Y421 HydrophobicContact CD2-CE2 3.52Å; L217-Y421 HydrophobicContact CD2-CG 4.48Å; L217-Y421 VanDerWaalsContact CD2-CZ 3.49Å; L217-Y421 HydrophobicContact CG-CD2 4.41Å; L217-Y421 HydrophobicContact CG-CE2 4.3Å
218H96.6Very high95.6Very high53 Ų5331.4 Ų31.425%0.24519%0.186CC..Hα-helixtrans-73.7-35.7175.5-62.995.1000111.1C162 P163 G215 Q216 E220 A221 A222C162-H218 HydrophobicContact CB-CB 4.41Å; P163-H218 VanDerWaalsContact CG-CE1 3.41Å; P163-H218 WeakPolarHBondContact CG-CE1 2.98Å; P163-H218 WeakPolarHBondContact CG-NE2 3.11Å; G215-H218 PolarHBondContact O-N 3.29Å; Q216-H218 VanDerWaalsContact C-N 3.3Å; Q216-H218 PolarHBondContact O-N 3.13Å; H218-E220 VanDerWaalsContact C-N 3.32Å; H218-E220 PolarHBondContact O-N 2.96Å; H218-A221 WeakPolarHBondContact O-CB 3.38Å; H218-A221 PolarHBondContact O-N 3.27Å; H218-A222 PolarHBondContact O-N 3.15Å; H218-A222 VanDerWaalsContact O-N 3.14Å
219L97.6Very high96.3Very high0 Ų029.4 Ų29.40%017%0.173CC..Hα-helixtrans-65.2-36.2176.8-16462.3000111.6I160 G215 Q216 A221 A222 A223 V229 E254 E256I160-L219 HydrophobicContact CB-CD1 3.78Å; I160-L219 HydrophobicContact CG1-CD1 3.98Å; I160-L219 HydrophobicContact CG2-CD1 4.34Å; G215-L219 PolarHBondContact O-N 3.19Å; Q216-L219 CarbonylContact O-C 3.59Å; Q216-L219 WeakPolarHBondContact O-CA 3.34Å; Q216-L219 WeakPolarHBondContact O-CB 3.36Å; Q216-L219 PolarHBondContact O-N 3.15Å; Q216-L219 VanDerWaalsContact O-N 3.08Å; L219-A221 VanDerWaalsContact C-N 3.35Å; L219-A221 PolarHBondContact O-N 2.83Å; L219-A222 PolarHBondContact O-N 3.45Å; L219-A223 WeakPolarHBondContact O-CB 3.46Å; L219-A223 PolarHBondContact O-N 3.48Å; L219-V229 HydrophobicContact CD1-CB 3.83Å; L219-V229 HydrophobicContact CD1-CG2 3.48Å; L219-V229 VanDerWaalsContact CD1-CG2 3.48Å; L219-V229 HydrophobicContact CG-CG2 3.71Å; L219-E254 HydrophobicContact CD2-CB 3.84Å; L219-E256 HydrophobicContact CB-CG 4.07Å; L219-E256 HydrophobicContact CD2-CB 4.26Å; L219-E256 HydrophobicContact CD2-CG 3.98Å; L219-E256 HydrophobicContact CG-CB 4Å; L219-E256 HydrophobicContact CG-CG 3.84Å
220E97.7Very high96.7Very high0 Ų029 Ų290%017%0.171CC..Hα-helixtrans-61.4-40.7171.5-75.3-176.8-122.100112.1Q216 H218 A222 A223 C224 E256 R398 Y421 L424 R425 Y429 L432Q216-E220 PolarHBondContact NE2-OE1 3.11Å; Q216-E220 PolarHBondContact O-N 3.02Å; H218-E220 VanDerWaalsContact C-N 3.32Å; H218-E220 PolarHBondContact O-N 2.96Å; E220-A222 VanDerWaalsContact C-N 3.32Å; E220-A222 PolarHBondContact O-N 3.1Å; E220-A223 WeakPolarHBondContact O-CB 3.34Å; E220-A223 PolarHBondContact O-N 3.47Å; E220-A223 VanDerWaalsContact O-N 3.15Å; E220-C224 PolarHBondContact O-N 2.92Å; E220-C224 PolarHBondContact O-SG 2.99Å; E220-E256 HydrophobicContact CG-CG 3.98Å; E220-R398 HydrophobicContact CG-CG 4.42Å; E220-Y421 HydrophobicContact CB-CE2 4.17Å; E220-Y421 VanDerWaalsContact CD-CE2 3.47Å; E220-Y421 HydrophobicContact CG-CE2 4.39Å; E220-Y421 WeakPolarHBondContact OE1-CE2 3.48Å; E220-Y421 PolarHBondContact OE1-OH 3.34Å; E220-Y421 VanDerWaalsContact OE2-CE2 3.31Å; E220-Y421 WeakPolarHBondContact OE2-CE2 3.28Å; E220-Y421 PolarHBondContact OE2-OH 2.75Å; E220-L424 HydrophobicContact CB-CD1 4.45Å; E220-R425 IonicContact OE2-CZ 3.5Å; E220-R425 IonicContact OE2-NH1 2.91Å; E220-R425 IonicContact OE2-NH2 2.72Å; E220-R425 PolarHBondContact OE2-NH2 3.46Å; E220-Y429 PolarHBondContact OE2-OH 3.37Å; E220-L432 HydrophobicContact CB-CD2 4.1Å; E220-L432 HydrophobicContact CG-CD2 4.16Å
221A97.5Very high97Very high36 Ų3626.8 Ų26.830%0.29816%0.162SC..Hα-helixtrans-62.6-40175.400000112.1L217 H218 L219 A223 C224 W420 L424L217-A221 PolarHBondContact O-N 3.5Å; H218-A221 WeakPolarHBondContact O-CB 3.38Å; H218-A221 PolarHBondContact O-N 3.27Å; L219-A221 VanDerWaalsContact C-N 3.35Å; L219-A221 PolarHBondContact O-N 2.83Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-C224 WeakPolarHBondContact O-CB 3.39Å; A221-C224 PolarHBondContact O-N 2.89Å; A221-W420 HydrophobicContact CB-CZ3 4.07Å; A221-L424 HydrophobicContact CB-CD1 4.05Å; A221-L424 HydrophobicContact CB-CD2 3.89Å
222A98Very high97.2Very high22 Ų2225.7 Ų25.718%0.18216%0.156CC..Hα-helixtrans-65.2-39.7172.900000111.6I160 H218 L219 E220 C224 G225 L226 V229I160-A222 HydrophobicContact CD1-CB 4.09Å; I160-A222 HydrophobicContact CG1-CB 3.88Å; I160-A222 HydrophobicContact CG2-CB 4.15Å; H218-A222 PolarHBondContact O-N 3.15Å; H218-A222 VanDerWaalsContact O-N 3.14Å; L219-A222 PolarHBondContact O-N 3.45Å; E220-A222 VanDerWaalsContact C-N 3.32Å; E220-A222 PolarHBondContact O-N 3.1Å; A222-C224 PolarHBondContact O-N 3.26Å; A222-G225 PolarHBondContact O-N 3.46Å; A222-L226 PolarHBondContact O-N 3.02Å; A222-V229 HydrophobicContact CB-CG1 4.27Å; A222-V229 HydrophobicContact CB-CG2 4.46Å
223A97.9Very high97.3Very high1 Ų126.6 Ų26.61%0.00817%0.166CC..Hα-helixtrans-64.6-23.117800000113.4L219 E220 A221 G225 L226 V229 E256 A258 L432L219-A223 WeakPolarHBondContact O-CB 3.46Å; L219-A223 PolarHBondContact O-N 3.48Å; E220-A223 WeakPolarHBondContact O-CB 3.34Å; E220-A223 PolarHBondContact O-N 3.47Å; E220-A223 VanDerWaalsContact O-N 3.15Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A223-G225 PolarHBondContact O-N 3.27Å; A223-L226 CarbonylContact C-O 3.46Å; A223-L226 VanDerWaalsContact CA-O 3.25Å; A223-L226 WeakPolarHBondContact CA-O 3.27Å; A223-L226 VanDerWaalsContact O-O 3.12Å; A223-V229 HydrophobicContact CB-CG2 3.85Å; A223-E256 HydrophobicContact CB-CB 3.75Å; A223-A258 WeakPolarHBondContact O-CB 3.33Å; A223-L432 HydrophobicContact CB-CD2 3.67Å; A223-L432 HydrophobicContact CB-CG 4.39Å
224C97Very high97.4Very high53 Ų5328.2 Ų28.236%0.35818%0.177SC..THydrogen-bonded Turntrans-64.9-25171-64.10000113.3E220 A221 A222 Y429E220-C224 PolarHBondContact O-N 2.92Å; E220-C224 PolarHBondContact O-SG 2.99Å; A221-C224 WeakPolarHBondContact O-CB 3.39Å; A221-C224 PolarHBondContact O-N 2.89Å; A222-C224 PolarHBondContact O-N 3.26Å; C224-Y429 VanDerWaalsContact SG-CD2 3.57Å
225G96.5Very high97.4Very high70 Ų7028.1 Ų28.172%0.72218%0.176SC*.THydrogen-bonded Turntrans-107.8-19.6176.700000114.6A222 A223A222-G225 PolarHBondContact O-N 3.46Å; A223-G225 PolarHBondContact O-N 3.27Å
226L97.4Very high97.4Very high70 Ų7029.2 Ų29.237%0.36618%0.18SC..SBendtrans-130120.7-174.7-62.9172000109.5V158 I160 A222 A223 Q228 V229V158-L226 HydrophobicContact CB-CD1 4.13Å; V158-L226 HydrophobicContact CG1-CD1 4.05Å; V158-L226 HydrophobicContact CG2-CD1 4.3Å; I160-L226 HydrophobicContact CD1-CD1 4Å; A222-L226 PolarHBondContact O-N 3.02Å; A223-L226 CarbonylContact C-O 3.46Å; A223-L226 VanDerWaalsContact CA-O 3.25Å; A223-L226 WeakPolarHBondContact CA-O 3.27Å; A223-L226 VanDerWaalsContact O-O 3.12Å; L226-Q228 PolarHBondContact O-N 2.87Å; L226-V229 HydrophobicContact CB-CG1 3.52Å; L226-V229 HydrophobicContact CD1-CG1 3.87Å; L226-V229 HydrophobicContact CG-CG1 4.36Å
227K96.9Very high97.2Very high135 Ų13531.9 Ų31.959%0.58719%0.19SC*.SBendtrans-53.7-31-171.4-178.2174.6177.8-1750114.8A258 F259K227-A258 PolarHBondContact O-N 3.15Å; K227-F259 HydrophobicContact CG-CD2 4.21Å
228Q98.3Very high97Very high47 Ų4733.4 Ų33.422%0.2220%0.202CC..EExtended strand (participates in β ladder)trans-151.6118.2-173.749.7-174.683.800109.9K155 G156 F157 V158 L226 L257K155-Q228 PolarHBondContact O-NE2 3.41Å; G156-Q228 PolarHBondContact O-NE2 3.42Å; F157-Q228 HydrophobicContact CD1-CB 3.73Å; F157-Q228 HydrophobicContact CD1-CG 4.39Å; F157-Q228 HydrophobicContact CE1-CB 3.74Å; F157-Q228 HydrophobicContact CG-CB 4.16Å; F157-Q228 HydrophobicContact CG-CG 4.33Å; F157-Q228 HydrophobicContact CZ-CB 4.19Å; V158-Q228 PolarHBondContact N-O 3.5Å; V158-Q228 VanDerWaalsContact N-O 3.13Å; L226-Q228 PolarHBondContact O-N 2.87Å; Q228-L257 HydrophobicContact CB-CD2 3.65Å
229V98.8Very high96.4Very high0 Ų032.6 Ų32.60%020%0.199CC..EExtended strand (participates in β ladder)trans-133.5155.9-175.1-65.90000110.2V158 I160 L219 A222 A223 L226 E256V158-V229 HydrophobicContact CB-CG1 4.37Å; V158-V229 VanDerWaalsContact O-CA 3.31Å; V158-V229 WeakPolarHBondContact O-CA 3.4Å; I160-V229 HydrophobicContact CD1-CG1 4.25Å; I160-V229 HydrophobicContact CG1-CB 3.79Å; I160-V229 HydrophobicContact CG1-CG1 3.87Å; L219-V229 HydrophobicContact CD1-CB 3.83Å; L219-V229 HydrophobicContact CD1-CG2 3.48Å; L219-V229 VanDerWaalsContact CD1-CG2 3.48Å; L219-V229 HydrophobicContact CG-CG2 3.71Å; A222-V229 HydrophobicContact CB-CG1 4.27Å; A222-V229 HydrophobicContact CB-CG2 4.46Å; A223-V229 HydrophobicContact CB-CG2 3.85Å; L226-V229 HydrophobicContact CB-CG1 3.52Å; L226-V229 HydrophobicContact CD1-CG1 3.87Å; L226-V229 HydrophobicContact CG-CG1 4.36Å; V229-E256 HydrophobicContact CG2-CB 3.83Å; V229-E256 PolarHBondContact N-O 2.9Å; V229-E256 PolarHBondContact O-N 3.04Å
230Y98.8Very high96Very high0 Ų036.9 Ų36.90%023%0.229CC..EExtended strand (participates in β ladder)trans-142.6150.6172.778-69.5000111.5H149 F152 F157 V158 L159 I160 F232 L253 E254H149-Y230 AromaticContact ND1-CE2 3.62Å; H149-Y230 AromaticContact ND1-CZ 3.71Å; H149-Y230 PolarHBondContact ND1-OH 3.37Å; F152-Y230 HydrophobicContact CB-CD1 3.84Å; F152-Y230 HydrophobicContact CB-CD2 4.27Å; F152-Y230 HydrophobicContact CB-CE1 3.57Å; F152-Y230 HydrophobicContact CB-CE2 4.04Å; F152-Y230 HydrophobicContact CB-CG 4.16Å; F152-Y230 HydrophobicContact CD1-CD1 4.4Å; F152-Y230 HydrophobicContact CD1-CG 4.17Å; F152-Y230 AromaticContact CD2-CD2 3.71Å; F152-Y230 HydrophobicContact CD2-CD2 3.71Å; F152-Y230 AromaticContact CD2-CE2 3.81Å; F152-Y230 HydrophobicContact CD2-CE2 3.81Å; F152-Y230 HydrophobicContact CD2-CG 4.15Å; F152-Y230 HydrophobicContact CE2-CD2 4.23Å; F152-Y230 HydrophobicContact CG-CD1 4.06Å; F152-Y230 AromaticContact CG-CD2 3.92Å; F152-Y230 HydrophobicContact CG-CD2 3.92Å; F152-Y230 HydrophobicContact CG-CE1 4.21Å; F152-Y230 HydrophobicContact CG-CE2 4.09Å; F152-Y230 AromaticContact CG-CG 3.89Å; F152-Y230 HydrophobicContact CG-CG 3.89Å; F157-Y230 HydrophobicContact CB-CD1 3.76Å; F157-Y230 HydrophobicContact CB-CE1 4.21Å; V158-Y230 WeakPolarHBondContact O-CD1 3.08Å; V158-Y230 PolarHBondContact O-N 3.11Å; L159-Y230 CarbonylContact C-O 3.47Å; L159-Y230 VanDerWaalsContact CA-CE1 3.47Å; L159-Y230 WeakPolarHBondContact CA-O 2.92Å; L159-Y230 HydrophobicContact CB-CD1 4.34Å; L159-Y230 HydrophobicContact CB-CE1 3.61Å; L159-Y230 HydrophobicContact CD1-CD2 4.11Å; L159-Y230 HydrophobicContact CD1-CE1 4.22Å; L159-Y230 HydrophobicContact CD1-CE2 3.67Å; I160-Y230 PolarHBondContact N-O 3.37Å; Y230-F232 HydrophobicContact CE2-CB 4.44Å; Y230-L253 HydrophobicContact CD2-CD1 3.81Å; Y230-E254 CarbonylContact C-O 3.59Å; Y230-E254 WeakPolarHBondContact CA-O 3.39Å; Y230-E254 VanDerWaalsContact CB-O 3.28Å; Y230-E254 WeakPolarHBondContact CB-O 3.33Å
231S98.6Very high95.4Very high5 Ų537.9 Ų37.94%0.03524%0.236CC..EExtended strand (participates in β ladder)trans-110.8148.8167.687.90000108.7L253 E254S231-L253 WeakPolarHBondContact O-CA 3.41Å; S231-E254 PolarHBondContact N-O 3.28Å; S231-E254 PolarHBondContact O-N 3.46Å; S231-E254 WeakPolarHBondContact OG-CB 3.24Å; S231-E254 PolarHBondContact OG-OE2 2.88Å
232F98.4Very high95Very high16 Ų1641.3 Ų41.37%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-143.476.8170.2-163.9166.8000110.5K145 L148 H149 Y230 Q251 M252 L253 F439K145-F232 HydrophobicContact CB-CE1 4.38Å; K145-F232 HydrophobicContact CB-CZ 4.37Å; K145-F232 HydrophobicContact CD-CE1 4.3Å; K145-F232 HydrophobicContact CD-CE2 4.32Å; K145-F232 HydrophobicContact CD-CZ 4.03Å; K145-F232 HydrophobicContact CG-CD1 4.32Å; K145-F232 HydrophobicContact CG-CE1 3.68Å; K145-F232 HydrophobicContact CG-CZ 3.8Å; L148-F232 HydrophobicContact CB-CE1 4.1Å; L148-F232 HydrophobicContact CD1-CE1 3.96Å; L148-F232 HydrophobicContact CD1-CZ 4.29Å; H149-F232 AromaticContact CE1-CD1 3.96Å; H149-F232 AromaticContact NE2-CD1 3.81Å; Y230-F232 HydrophobicContact CE2-CB 4.44Å; F232-Q251 HydrophobicContact CE2-CB 4Å; F232-M252 WeakPolarHBondContact CA-O 3.45Å; F232-L253 HydrophobicContact CB-CD1 4.31Å; F232-L253 HydrophobicContact CD1-CD1 4.2Å; F232-L253 HydrophobicContact CG-CD1 4.31Å; F232-F439 HydrophobicContact CE2-CB 3.86Å; F232-F439 AromaticContact CE2-CD1 3.92Å; F232-F439 HydrophobicContact CE2-CD1 3.92Å; F232-F439 HydrophobicContact CE2-CD2 4.3Å; F232-F439 AromaticContact CE2-CG 3.77Å; F232-F439 HydrophobicContact CE2-CG 3.77Å; F232-F439 HydrophobicContact CZ-CB 4.07Å; F232-F439 AromaticContact CZ-CD1 3.79Å; F232-F439 HydrophobicContact CZ-CD1 3.79Å; F232-F439 AromaticContact CZ-CD2 3.64Å; F232-F439 HydrophobicContact CZ-CD2 3.64Å; F232-F439 HydrophobicContact CZ-CE1 4.07Å; F232-F439 AromaticContact CZ-CE2 3.95Å; F232-F439 HydrophobicContact CZ-CE2 3.95Å; F232-F439 AromaticContact CZ-CG 3.55Å; F232-F439 HydrophobicContact CZ-CG 3.55Å; F232-F439 HydrophobicContact CZ-CZ 4.15Å
233G97.3Very high94.6Very high23 Ų2343.3 Ų43.324%0.23726%0.259CS..EExtended strand (participates in β ladder)trans-132.8178.6-169.800000114.1Q251 M252G233-Q251 WeakPolarHBondContact O-CA 3.4Å; G233-M252 PolarHBondContact N-O 3.25Å; G233-M252 PolarHBondContact O-N 3.43Å
234P97.3Very high94.2Very high41 Ų4149.5 Ų49.527%0.26628%0.282SS..EExtended strand (participates in β ladder)trans-73.7141.5174.231.3-32.8000111.5V164 F236 F250 Q251V164-P234 HydrophobicContact CG2-CG 3.98Å; P234-F236 HydrophobicContact CB-CE2 3.98Å; P234-F236 HydrophobicContact CB-CZ 3.99Å; P234-F236 HydrophobicContact CG-CE2 4.33Å; P234-F236 HydrophobicContact CG-CZ 4.45Å; P234-F250 CarbonylContact C-O 3.58Å; P234-F250 WeakPolarHBondContact CA-O 3.49Å; P234-Q251 VanDerWaalsContact CA-NE2 3.28Å
235T96.2Very high93.9Very high3 Ų347.7 Ų47.72%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-131.4154.1169.2540000109.1V213 F250 M252V213-T235 WeakPolarHBondContact O-CB 3.48Å; T235-F250 PolarHBondContact N-O 2.83Å; T235-F250 PolarHBondContact O-N 2.86Å; T235-F250 VanDerWaalsContact OG1-CD2 3.28Å; T235-F250 WeakPolarHBondContact OG1-CD2 3.32Å; T235-F250 WeakPolarHBondContact OG1-CE2 3.15Å; T235-F250 VanDerWaalsContact OG1-CZ 3.29Å; T235-F250 WeakPolarHBondContact OG1-CZ 2.93Å; T235-M252 HydrophobicContact CG2-CB 3.64Å; T235-M252 HydrophobicContact CG2-CE 3.9Å; T235-M252 HydrophobicContact CG2-SD 4.19Å
236F95.9Very high93.6Very high26 Ų2646.7 Ų46.711%0.11425%0.245CC..EExtended strand (participates in β ladder)trans-128.2140.9-169.6-55.1-96.8000110.4V164 F177 L211 T212 V213 P234 A248 E249V164-F236 HydrophobicContact CG1-CD2 4.44Å; V164-F236 HydrophobicContact CG1-CE2 3.6Å; V164-F236 HydrophobicContact CG1-CZ 4.26Å; F177-F236 HydrophobicContact CD2-CB 3.9Å; F177-F236 HydrophobicContact CE2-CB 4.29Å; L211-F236 HydrophobicContact CB-CB 3.87Å; L211-F236 HydrophobicContact CB-CD1 4.41Å; L211-F236 HydrophobicContact CB-CD2 3.62Å; L211-F236 HydrophobicContact CB-CE2 4.27Å; L211-F236 HydrophobicContact CB-CG 3.7Å; L211-F236 HydrophobicContact CD1-CB 4.42Å; L211-F236 HydrophobicContact CD1-CD1 3.64Å; L211-F236 HydrophobicContact CD1-CD2 4.19Å; L211-F236 HydrophobicContact CD1-CE1 3.83Å; L211-F236 HydrophobicContact CD1-CE2 4.4Å; L211-F236 HydrophobicContact CD1-CG 3.81Å; L211-F236 HydrophobicContact CD1-CZ 4.21Å; L211-F236 HydrophobicContact CD2-CE2 4.44Å; L211-F236 HydrophobicContact CG-CD2 4.35Å; L211-F236 HydrophobicContact CG-CG 4.35Å; T212-F236 PolarHBondContact O-N 3.06Å; V213-F236 WeakPolarHBondContact CA-O 3Å; V213-F236 WeakPolarHBondContact CG1-O 3.39Å; P234-F236 HydrophobicContact CB-CE2 3.98Å; P234-F236 HydrophobicContact CB-CZ 3.99Å; P234-F236 HydrophobicContact CG-CE2 4.33Å; P234-F236 HydrophobicContact CG-CZ 4.45Å; F236-A248 CarbonylContact C-O 3.32Å; F236-A248 VanDerWaalsContact CA-O 3.22Å; F236-A248 WeakPolarHBondContact CA-O 3.15Å; F236-E249 HydrophobicContact CD1-CB 4.06Å; F236-E249 HydrophobicContact CD1-CG 4.11Å; F236-E249 HydrophobicContact CE1-CB 4.08Å; F236-E249 HydrophobicContact CE1-CG 3.67Å; F236-E249 HydrophobicContact CZ-CG 4.33Å
237R92.9Very high93.5Very high67 Ų6744 Ų4425%0.25323%0.23SC..  trans-136.6120.1172.8-70.4-174.3-178.9-168.9-5.1109.4E171 E239 A248 F250E171-R237 IonicContact OE1-NH2 3.63Å; E171-R237 PolarHBondContact OE1-NH2 3.32Å; E171-R237 IonicContact OE2-NH2 2.83Å; R237-E239 HydrophobicContact CB-CG 4.36Å; R237-E239 WeakPolarHBondContact CD-OE1 3.29Å; R237-E239 IonicContact NH1-OE1 3.09Å; R237-E239 PolarHBondContact O-N 3.28Å; R237-E239 VanDerWaalsContact O-N 3.08Å; R237-A248 PolarHBondContact N-O 3.23Å; R237-A248 WeakPolarHBondContact O-CA 3.42Å; R237-F250 HydrophobicContact CB-CE1 4.19Å; R237-F250 HydrophobicContact CG-CE1 3.78Å; R237-F250 HydrophobicContact CG-CZ 4.02Å
238A91.2Very high93.4Very high33 Ų3338.2 Ų38.227%0.27321%0.208SC..  trans-83.735.7-178.400000112.5E175 F177E175-A238 WeakPolarHBondContact O-CB 3.28Å; E175-A238 PolarHBondContact O-N 2.79Å; F177-A238 HydrophobicContact CD1-CB 4.17Å; F177-A238 HydrophobicContact CD2-CB 3.93Å; F177-A238 HydrophobicContact CE1-CB 4.04Å; F177-A238 HydrophobicContact CE2-CB 3.81Å; F177-A238 HydrophobicContact CG-CB 4.11Å; F177-A238 HydrophobicContact CZ-CB 3.86Å
239E85.4Confident93.3Very high36 Ų3639.8 Ų39.817%0.16822%0.215CC..  trans-70134.3178-75.9175.8-137.500111.1E175 R237 S241 H246E175-E239 HydrophobicContact CB-CG 4.44Å; E175-E239 HydrophobicContact CG-CG 4.48Å; E175-E239 WeakPolarHBondContact OE2-CG 3.47Å; R237-E239 HydrophobicContact CB-CG 4.36Å; R237-E239 WeakPolarHBondContact CD-OE1 3.29Å; R237-E239 IonicContact NH1-OE1 3.09Å; R237-E239 PolarHBondContact O-N 3.28Å; R237-E239 VanDerWaalsContact O-N 3.08Å; E239-S241 PolarHBondContact O-N 2.84Å; E239-H246 IonicContact OE2-CD2 2.82Å; E239-H246 PolarHBondContact OE2-CD2 3.33Å; E239-H246 IonicContact OE2-CG 2.97Å; E239-H246 IonicContact OE2-NE2 2.67Å; E239-H246 PolarHBondContact OE2-NE2 2.89Å
240S87.8Confident93.3Very high90 Ų9041 Ų4163%0.62922%0.221SC*.  trans-77.442.7172.4-64.60000112.5F462S240-F462 WeakPolarHBondContact OG-CE2 3.5Å
241S86.4Confident93.2Very high22 Ų2242.5 Ų42.515%0.15423%0.228CC..  trans-98.9123.7-172.5-175.80000112E239 T243 H246E239-S241 PolarHBondContact O-N 2.84Å; S241-T243 WeakPolarHBondContact OG-CG2 3.35Å; S241-T243 PolarHBondContact OG-OG1 2.92Å; S241-H246 WeakPolarHBondContact OG-CB 3.31Å; S241-H246 VanDerWaalsContact OG-CG 3.31Å; S241-H246 PolarHBondContact OG-ND1 2.91Å
242L87.7Confident93.2Very high108 Ų10842.9 Ų42.957%0.56523%0.229SC*.  trans-99.56.9174.7-70.1176.4000113.6F462L242-F462 HydrophobicContact CD2-CB 4.09Å; L242-F462 HydrophobicContact CD2-CD1 4.09Å; L242-F462 HydrophobicContact CG-CD1 4.13Å
243T89.9Confident93.2Very high64 Ų6442.1 Ų42.139%0.39323%0.226SC..SBendtrans-67.6172.1-172.969.90000112.9S241 Q245 H246 K453S241-T243 WeakPolarHBondContact OG-CG2 3.35Å; S241-T243 PolarHBondContact OG-OG1 2.92Å; T243-Q245 PolarHBondContact O-N 2.86Å; T243-Q245 PolarHBondContact OG1-N 3Å; T243-H246 PolarHBondContact OG1-ND1 2.82Å; T243-K453 PolarHBondContact O-NZ 2.73Å
244R89.9Confident93.3Very high130 Ų13041.4 Ų41.449%0.49122%0.216SC..SBendtrans-81.23.3178.1-63.3-179.5-179.1175.9-8.9114Q444 E450 N451 I452R244-Q444 PolarHBondContact O-NE2 3.24Å; R244-E450 IonicContact CZ-OE1 2.92Å; R244-E450 IonicContact NH1-OE1 3.78Å; R244-E450 PolarHBondContact NH1-OE1 2.88Å; R244-E450 IonicContact NH1-OE2 3.47Å; R244-N451 HydrophobicContact CB-CB 4.49Å; R244-I452 WeakPolarHBondContact O-CB 3.48Å; R244-I452 VanDerWaalsContact O-CG2 3.31Å; R244-I452 WeakPolarHBondContact O-CG2 3.29Å; R244-I452 PolarHBondContact O-N 3.05Å
245Q89.9Confident93.4Very high16 Ų1639.5 Ų39.58%0.07520%0.204CC..SBendtrans-120.6-7.4-172.9-66.1179.7-15.500113.3T243 K341 V389 I452T243-Q245 PolarHBondContact O-N 2.86Å; T243-Q245 PolarHBondContact OG1-N 3Å; Q245-K341 VanDerWaalsContact OE1-CD 3.26Å; Q245-K341 VanDerWaalsContact OE1-CE 3.32Å; Q245-V389 PolarHBondContact NE2-O 3.49Å; Q245-I452 WeakPolarHBondContact O-CD1 3.49Å
246H91.5Very high93.5Very high49 Ų4939.3 Ų39.323%0.22720%0.203CC..  trans-115.8142.5-176.5-6279.3000111.6E239 S241 T243E239-H246 IonicContact OE2-CD2 2.82Å; E239-H246 PolarHBondContact OE2-CD2 3.33Å; E239-H246 IonicContact OE2-CG 2.97Å; E239-H246 IonicContact OE2-NE2 2.67Å; E239-H246 PolarHBondContact OE2-NE2 2.89Å; S241-H246 WeakPolarHBondContact OG-CB 3.31Å; S241-H246 VanDerWaalsContact OG-CG 3.31Å; S241-H246 PolarHBondContact OG-ND1 2.91Å; T243-H246 PolarHBondContact OG1-ND1 2.82Å
247L95.1Very high93.6Very high12 Ų1239.1 Ų39.16%0.06320%0.203CC..  trans-129.2149.9167.9-67173.6000107.3E249 F250 E440 I452 K453 V456 P459 R460L247-E249 WeakPolarHBondContact CB-O 3.44Å; L247-F250 HydrophobicContact CB-CB 4.29Å; L247-F250 HydrophobicContact CD1-CB 4.28Å; L247-E440 HydrophobicContact CD1-CB 4.26Å; L247-E440 HydrophobicContact CD1-CG 3.8Å; L247-I452 HydrophobicContact CD1-CD1 4.29Å; L247-I452 HydrophobicContact CD1-CG1 4.05Å; L247-I452 HydrophobicContact CD2-CG2 4.15Å; L247-I452 HydrophobicContact CG-CD1 4.34Å; L247-I452 HydrophobicContact CG-CG1 4.27Å; L247-I452 HydrophobicContact CG-CG2 3.91Å; L247-K453 HydrophobicContact CD2-CG 4Å; L247-V456 HydrophobicContact CD1-CG1 4Å; L247-P459 HydrophobicContact CD2-CB 3.74Å; L247-R460 CarbonylContact C-O 3.57Å; L247-R460 WeakPolarHBondContact CA-O 3.24Å
248A95.4Very high93.9Very high14 Ų1436.3 Ų36.312%0.11619%0.194CC..SBendtrans-80.1-25.6173.200000112.5F177 F236 R237 R460F177-A248 HydrophobicContact CE2-CB 4.19Å; F177-A248 HydrophobicContact CZ-CB 3.99Å; F236-A248 CarbonylContact C-O 3.32Å; F236-A248 VanDerWaalsContact CA-O 3.22Å; F236-A248 WeakPolarHBondContact CA-O 3.15Å; R237-A248 PolarHBondContact N-O 3.23Å; R237-A248 WeakPolarHBondContact O-CA 3.42Å; A248-R460 HydrophobicContact CB-CB 4.25Å; A248-R460 PolarHBondContact N-O 3.27Å
249E96.2Very high94.2Very high80 Ų8041.5 Ų41.537%0.37421%0.21SC..EExtended strand (participates in β ladder)trans-130124.3174.6178.3-168.4143.700107.7F236 L247 R460F236-E249 HydrophobicContact CD1-CB 4.06Å; F236-E249 HydrophobicContact CD1-CG 4.11Å; F236-E249 HydrophobicContact CE1-CB 4.08Å; F236-E249 HydrophobicContact CE1-CG 3.67Å; F236-E249 HydrophobicContact CZ-CG 4.33Å; L247-E249 WeakPolarHBondContact CB-O 3.44Å; E249-R460 HydrophobicContact CB-CB 3.93Å; E249-R460 HydrophobicContact CB-CG 3.99Å; E249-R460 WeakPolarHBondContact OE2-CG 3.44Å
250F97Very high94.7Very high27 Ų2740 Ų4012%0.11820%0.204CC..EExtended strand (participates in β ladder)trans-147168.2-18058.1-84.1000110.5P234 T235 R237 L247 M252 E440P234-F250 CarbonylContact C-O 3.58Å; P234-F250 WeakPolarHBondContact CA-O 3.49Å; T235-F250 PolarHBondContact N-O 2.83Å; T235-F250 PolarHBondContact O-N 2.86Å; T235-F250 VanDerWaalsContact OG1-CD2 3.28Å; T235-F250 WeakPolarHBondContact OG1-CD2 3.32Å; T235-F250 WeakPolarHBondContact OG1-CE2 3.15Å; T235-F250 VanDerWaalsContact OG1-CZ 3.29Å; T235-F250 WeakPolarHBondContact OG1-CZ 2.93Å; R237-F250 HydrophobicContact CB-CE1 4.19Å; R237-F250 HydrophobicContact CG-CE1 3.78Å; R237-F250 HydrophobicContact CG-CZ 4.02Å; L247-F250 HydrophobicContact CB-CB 4.29Å; L247-F250 HydrophobicContact CD1-CB 4.28Å; F250-M252 HydrophobicContact CE2-CE 3.73Å; F250-M252 HydrophobicContact CZ-CE 4.14Å; F250-E440 WeakPolarHBondContact CB-OE2 3.41Å
251Q98.3Very high95Very high30 Ų3040.6 Ų40.614%0.1420%0.2CC..EExtended strand (participates in β ladder)trans-99.9127.4177.9-64-79.6-7900109.3F232 G233 P234 F439 E440F232-Q251 HydrophobicContact CE2-CB 4Å; G233-Q251 WeakPolarHBondContact O-CA 3.4Å; P234-Q251 VanDerWaalsContact CA-NE2 3.28Å; Q251-F439 HydrophobicContact CB-CB 3.95Å; Q251-F439 HydrophobicContact CB-CD1 4.15Å; Q251-F439 WeakPolarHBondContact O-CB 3.42Å; Q251-F439 PolarHBondContact O-N 3.23Å; Q251-E440 PolarHBondContact N-OE2 3.48Å
252M98.1Very high95.5Very high13 Ų1345.2 Ų45.26%0.06422%0.219CC..EExtended strand (participates in β ladder)trans-107.3132.6175.2-158.3-178-71.600109.5V213 F232 G233 T235 F250 E254V213-M252 VanDerWaalsContact O-CE 3.26Å; V213-M252 WeakPolarHBondContact O-CE 3.28Å; F232-M252 WeakPolarHBondContact CA-O 3.45Å; G233-M252 PolarHBondContact N-O 3.25Å; G233-M252 PolarHBondContact O-N 3.43Å; T235-M252 HydrophobicContact CG2-CB 3.64Å; T235-M252 HydrophobicContact CG2-CE 3.9Å; T235-M252 HydrophobicContact CG2-SD 4.19Å; F250-M252 HydrophobicContact CE2-CE 3.73Å; F250-M252 HydrophobicContact CZ-CE 4.14Å; M252-E254 HydrophobicContact CB-CG 4.21Å; M252-E254 HydrophobicContact CG-CG 3.6Å; M252-E254 VanDerWaalsContact SD-CD 3.53Å; M252-E254 HydrophobicContact SD-CG 3.44Å; M252-E254 WeakPolarHBondContact SD-CG 2.95Å; M252-E254 VanDerWaalsContact SD-OE1 3.37Å
253L98.7Very high95.9Very high0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-98.3111.3165.5168.566000107.3L148 F152 Y230 S231 F232 L437L148-L253 HydrophobicContact CD1-CD2 4.44Å; L148-L253 HydrophobicContact CD2-CD2 4.42Å; F152-L253 HydrophobicContact CD2-CD1 4.14Å; F152-L253 HydrophobicContact CE2-CD1 3.4Å; F152-L253 HydrophobicContact CE2-CD2 3.6Å; F152-L253 HydrophobicContact CE2-CG 4.01Å; F152-L253 HydrophobicContact CZ-CD1 3.87Å; F152-L253 HydrophobicContact CZ-CD2 3.9Å; F152-L253 HydrophobicContact CZ-CG 4.22Å; Y230-L253 HydrophobicContact CD2-CD1 3.81Å; S231-L253 WeakPolarHBondContact O-CA 3.41Å; F232-L253 HydrophobicContact CB-CD1 4.31Å; F232-L253 HydrophobicContact CD1-CD1 4.2Å; F232-L253 HydrophobicContact CG-CD1 4.31Å; L253-L437 HydrophobicContact CB-CB 4.45Å; L253-L437 HydrophobicContact CD2-CD2 4.48Å; L253-L437 PolarHBondContact N-O 3.44Å; L253-L437 PolarHBondContact O-N 2.98Å
254E98.8Very high96.2Very high8 Ų845 Ų454%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-115.2143.6-178.9-52.9170.910600110.2S214 G215 Q216 L219 Y230 S231 M252 F435S214-E254 WeakPolarHBondContact CB-OE1 3.22Å; S214-E254 PolarHBondContact OG-OE1 3.12Å; G215-E254 WeakPolarHBondContact CA-OE2 3.37Å; G215-E254 VanDerWaalsContact N-CD 3.31Å; G215-E254 PolarHBondContact N-OE1 2.75Å; G215-E254 PolarHBondContact N-OE2 2.85Å; Q216-E254 PolarHBondContact N-OE1 2.79Å; L219-E254 HydrophobicContact CD2-CB 3.84Å; Y230-E254 CarbonylContact C-O 3.59Å; Y230-E254 WeakPolarHBondContact CA-O 3.39Å; Y230-E254 VanDerWaalsContact CB-O 3.28Å; Y230-E254 WeakPolarHBondContact CB-O 3.33Å; S231-E254 PolarHBondContact N-O 3.28Å; S231-E254 PolarHBondContact O-N 3.46Å; S231-E254 WeakPolarHBondContact OG-CB 3.24Å; S231-E254 PolarHBondContact OG-OE2 2.88Å; M252-E254 HydrophobicContact CB-CG 4.21Å; M252-E254 HydrophobicContact CG-CG 3.6Å; M252-E254 VanDerWaalsContact SD-CD 3.53Å; M252-E254 HydrophobicContact SD-CG 3.44Å; M252-E254 WeakPolarHBondContact SD-CG 2.95Å; M252-E254 VanDerWaalsContact SD-OE1 3.37Å; E254-F435 CarbonylContact C-O 3.56Å; E254-F435 VanDerWaalsContact CA-O 3.28Å; E254-F435 WeakPolarHBondContact CA-O 3.49Å
255V98.8Very high96.6Very high1 Ų142 Ų421%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-131.6138.3-178.9178.50000109.4F152 F157 L257 L269 G434 F435F152-V255 HydrophobicContact CE1-CG2 3.53Å; F152-V255 HydrophobicContact CZ-CG2 3.61Å; F157-V255 HydrophobicContact CD1-CG1 4.25Å; F157-V255 HydrophobicContact CE1-CG1 3.55Å; F157-V255 HydrophobicContact CZ-CG1 4.44Å; V255-L257 HydrophobicContact CG1-CD2 4.34Å; V255-L257 HydrophobicContact CG1-CG 4.34Å; V255-L269 HydrophobicContact CG1-CD2 3.95Å; V255-G434 CarbonylContact O-C 3.59Å; V255-G434 WeakPolarHBondContact O-CA 3.33Å; V255-F435 HydrophobicContact CB-CD1 4.38Å; V255-F435 HydrophobicContact CB-CD2 4.47Å; V255-F435 HydrophobicContact CB-CE1 3.92Å; V255-F435 HydrophobicContact CB-CE2 4Å; V255-F435 HydrophobicContact CB-CZ 3.69Å; V255-F435 HydrophobicContact CG1-CE1 4.24Å; V255-F435 HydrophobicContact CG1-CZ 4.27Å; V255-F435 HydrophobicContact CG2-CE1 4.26Å; V255-F435 HydrophobicContact CG2-CE2 3.68Å; V255-F435 HydrophobicContact CG2-CZ 3.53Å; V255-F435 PolarHBondContact N-O 2.95Å; V255-F435 PolarHBondContact O-N 2.91Å; V255-F435 VanDerWaalsContact O-N 3.08Å
256E98.7Very high97Very high0 Ų041.3 Ų41.30%020%0.202CC..EExtended strand (participates in β ladder)trans-127.5136.4166.6-76.6-66163.100110.9Q216 L219 E220 A223 V229 R398 G434Q216-E256 WeakPolarHBondContact CG-OE1 3.39Å; L219-E256 HydrophobicContact CB-CG 4.07Å; L219-E256 HydrophobicContact CD2-CB 4.26Å; L219-E256 HydrophobicContact CD2-CG 3.98Å; L219-E256 HydrophobicContact CG-CB 4Å; L219-E256 HydrophobicContact CG-CG 3.84Å; E220-E256 HydrophobicContact CG-CG 3.98Å; A223-E256 HydrophobicContact CB-CB 3.75Å; V229-E256 HydrophobicContact CG2-CB 3.83Å; V229-E256 PolarHBondContact N-O 2.9Å; V229-E256 PolarHBondContact O-N 3.04Å; E256-R398 IonicContact OE1-CZ 3.14Å; E256-R398 IonicContact OE1-NE 3.1Å; E256-R398 PolarHBondContact OE1-NE 3.49Å; E256-R398 IonicContact OE1-NH2 2.63Å; E256-R398 PolarHBondContact OE1-NH2 3.15Å; E256-R398 IonicContact OE2-NE 3.92Å; E256-G434 PolarHBondContact OE2-N 2.91Å
257L98.5Very high97.3Very high21 Ų2139.5 Ų39.511%0.1120%0.195CC..EExtended strand (participates in β ladder)trans-120.7121.8178.2-62-179.9000109.8F157 Q228 V255 C260 T265 L266 L269 L432 G433F157-L257 HydrophobicContact CE1-CD2 3.47Å; F157-L257 VanDerWaalsContact CE1-CD2 3.47Å; F157-L257 HydrophobicContact CZ-CD2 3.71Å; Q228-L257 HydrophobicContact CB-CD2 3.65Å; V255-L257 HydrophobicContact CG1-CD2 4.34Å; V255-L257 HydrophobicContact CG1-CG 4.34Å; L257-C260 HydrophobicContact CB-CB 4.05Å; L257-T265 HydrophobicContact CD1-CG2 4.12Å; L257-L266 HydrophobicContact CD1-CD2 4.02Å; L257-L269 HydrophobicContact CD1-CD2 3.94Å; L257-L269 HydrophobicContact CD2-CD2 4.46Å; L257-L269 HydrophobicContact CG-CD2 4.46Å; L257-L432 WeakPolarHBondContact O-CA 3.3Å; L257-G433 PolarHBondContact N-O 3.36Å; L257-G433 PolarHBondContact O-N 3.09Å; L257-G433 VanDerWaalsContact O-N 3.13Å
258A98Very high97.5Very high8 Ų842.7 Ų42.77%0.06621%0.209CC..EExtended strand (participates in β ladder)trans-75.9153.2164.900000110.8A223 K227 C260 A430 N431 L432A223-A258 WeakPolarHBondContact O-CB 3.33Å; K227-A258 PolarHBondContact O-N 3.15Å; A258-C260 PolarHBondContact O-N 3.15Å; A258-A430 HydrophobicContact CB-CB 4.39Å; A258-N431 CarbonylContact C-O 3.58Å; A258-L432 HydrophobicContact CB-CD1 4.3Å
259F97.4Very high97.6Very high142 Ų14242.8 Ų42.862%0.62321%0.208SC*.THydrogen-bonded Turntrans61.228.5-175.5-45.3-81.3000113.7K227 N261 A430 N431K227-F259 HydrophobicContact CG-CD2 4.21Å; F259-N261 PolarHBondContact O-N 2.85Å; F259-A430 HydrophobicContact CD1-CB 3.86Å; F259-A430 HydrophobicContact CE1-CB 3.82Å; F259-A430 HydrophobicContact CG-CB 4.31Å; F259-A430 HydrophobicContact CZ-CB 4.23Å; F259-N431 CarbonylContact C-O 3.59Å; F259-N431 VanDerWaalsContact CA-O 3.26Å; F259-N431 WeakPolarHBondContact CA-O 3.4Å; F259-N431 PolarHBondContact N-O 3.21Å
260C97.2Very high97.7Very high5 Ų539 Ų393%0.03419%0.19CC..  trans-87.696.2174.6-170.70000110.1L257 A258 N431L257-C260 HydrophobicContact CB-CB 4.05Å; A258-C260 PolarHBondContact O-N 3.15Å; C260-N431 PolarHBondContact N-O 2.75Å; C260-N431 WeakPolarHBondContact O-CB 3.48Å
261N94.4Very high97.8Very high102 Ų10238.4 Ų38.455%0.54519%0.187SC..  trans-86.5-24.6-177-60.2-50.8000113.4F259 N431F259-N261 PolarHBondContact O-N 2.85Å; N261-N431 WeakPolarHBondContact OD1-CB 3.47Å; N261-N431 PolarHBondContact OD1-ND2 3.33Å
262E95.2Very high97.8Very high119 Ų11939.7 Ų39.756%0.55620%0.195SC*.  trans-127.3137.5-169.7-64.4-176.7-178.800111.4K264 T265E262-K264 HydrophobicContact CB-CB 4.46Å; E262-K264 PolarHBondContact O-N 3.19Å; E262-K264 VanDerWaalsContact O-N 3.15Å; E262-T265 PolarHBondContact O-N 3.05Å; E262-T265 VanDerWaalsContact O-N 3.13Å
263L96.6Very high97.8Very high26 Ų2639 Ų3914%0.13619%0.192CC..Hα-helixtrans-55.8-33.3174.8-166.365.7000111.7T265 L266 L267 V359 F382L263-T265 PolarHBondContact O-N 2.98Å; L263-L266 HydrophobicContact CD1-CD1 4.33Å; L263-L266 WeakPolarHBondContact O-CB 3.47Å; L263-L266 PolarHBondContact O-N 2.81Å; L263-L267 HydrophobicContact CG-CD2 4.45Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 2.86Å; L263-L267 VanDerWaalsContact O-N 3.08Å; L263-V359 HydrophobicContact CD2-CB 4.04Å; L263-V359 HydrophobicContact CD2-CG1 3.91Å; L263-F382 HydrophobicContact CD1-CD1 3.73Å; L263-F382 HydrophobicContact CD1-CE1 4.44Å; L263-F382 HydrophobicContact CD2-CB 4.48Å; L263-F382 HydrophobicContact CG-CD1 4.3Å
264K97.4Very high97.7Very high142 Ų14239 Ų3962%0.61719%0.192SC*.Hα-helixtrans-53.8-37.1178.9-175-178.7177.2-175.80112.8E262 L266 L267 Q268E262-K264 HydrophobicContact CB-CB 4.46Å; E262-K264 PolarHBondContact O-N 3.19Å; E262-K264 VanDerWaalsContact O-N 3.15Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.48Å; K264-L267 PolarHBondContact O-N 3.15Å; K264-Q268 PolarHBondContact O-N 3Å
265T97.6Very high97.7Very high68 Ų6839.2 Ų39.242%0.41719%0.194SC..Hα-helixtrans-62-39.7177.6-55.50000111.5L257 E262 L263 L269L257-T265 HydrophobicContact CD1-CG2 4.12Å; E262-T265 PolarHBondContact O-N 3.05Å; E262-T265 VanDerWaalsContact O-N 3.13Å; L263-T265 PolarHBondContact O-N 2.98Å; T265-L269 PolarHBondContact O-N 2.91Å
266L98.3Very high97.7Very high0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-70.8-42.6177-55.9-179.8000111.5L257 L263 K264 Q268 L269 V270 F382 S396 L397L257-L266 HydrophobicContact CD1-CD2 4.02Å; L263-L266 HydrophobicContact CD1-CD1 4.33Å; L263-L266 WeakPolarHBondContact O-CB 3.47Å; L263-L266 PolarHBondContact O-N 2.81Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.48Å; L266-Q268 VanDerWaalsContact C-N 3.34Å; L266-Q268 PolarHBondContact O-N 3.12Å; L266-L269 PolarHBondContact O-N 2.91Å; L266-V270 WeakPolarHBondContact O-CG2 3.46Å; L266-V270 PolarHBondContact O-N 2.72Å; L266-F382 HydrophobicContact CB-CE1 3.66Å; L266-F382 HydrophobicContact CB-CZ 4.3Å; L266-F382 HydrophobicContact CD1-CE1 4.14Å; L266-S396 WeakPolarHBondContact CD1-O 3.38Å; L266-L397 HydrophobicContact CD1-CD2 4.24Å
267L98.5Very high97.6Very high12 Ų1241 Ų416%0.06320%0.201CC..Hα-helixtrans-57.5-48.7177.7-55.9-172.5000110.9L263 K264 L269 V270 E271 K315 F357 V359 F382L263-L267 HydrophobicContact CG-CD2 4.45Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 2.86Å; L263-L267 VanDerWaalsContact O-N 3.08Å; K264-L267 PolarHBondContact O-N 3.15Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.3Å; L267-V270 PolarHBondContact O-N 2.83Å; L267-E271 WeakPolarHBondContact O-CG 3.34Å; L267-E271 PolarHBondContact O-N 2.97Å; L267-K315 HydrophobicContact CD1-CD 3.53Å; L267-K315 HydrophobicContact CD1-CG 4.26Å; L267-F357 HydrophobicContact CB-CE1 4.49Å; L267-F357 HydrophobicContact CB-CE2 4.15Å; L267-F357 HydrophobicContact CB-CZ 4.11Å; L267-F357 HydrophobicContact CD2-CD1 3.61Å; L267-F357 HydrophobicContact CD2-CD2 4.46Å; L267-F357 HydrophobicContact CD2-CE1 3.67Å; L267-F357 HydrophobicContact CD2-CG 4.01Å; L267-F357 HydrophobicContact CD2-CZ 4.15Å; L267-V359 HydrophobicContact CD1-CG1 4.26Å; L267-F382 HydrophobicContact CD2-CB 3.58Å; L267-F382 HydrophobicContact CD2-CD1 3.52Å; L267-F382 HydrophobicContact CD2-CD2 3.75Å; L267-F382 HydrophobicContact CD2-CE1 4.1Å; L267-F382 HydrophobicContact CD2-CE2 4.31Å; L267-F382 HydrophobicContact CD2-CG 3.31Å; L267-F382 HydrophobicContact CD2-CZ 4.46Å
268Q98Very high97.5Very high78 Ų7840 Ų4036%0.36420%0.196SC..Hα-helixtrans-59.7-42.4178.2-174.166.364.400112.1K264 L266 V270 E271 D272K264-Q268 PolarHBondContact O-N 3Å; L266-Q268 VanDerWaalsContact C-N 3.34Å; L266-Q268 PolarHBondContact O-N 3.12Å; Q268-V270 VanDerWaalsContact C-N 3.35Å; Q268-V270 PolarHBondContact O-N 3.44Å; Q268-E271 WeakPolarHBondContact O-CB 3.35Å; Q268-E271 PolarHBondContact O-N 3.3Å; Q268-D272 PolarHBondContact NE2-OD1 3.06Å; Q268-D272 WeakPolarHBondContact O-CB 3.33Å; Q268-D272 VanDerWaalsContact O-CG 3.24Å; Q268-D272 PolarHBondContact O-N 3.08Å
269L98Very high97.4Very high17 Ų1745.7 Ų45.79%0.08922%0.216CC..Hα-helixtrans-65.5-39.6179.2-177.555000111.7Y151 F157 V255 L257 T265 L266 L267 D272 I273 F435Y151-L269 HydrophobicContact CE1-CD1 4.22Å; Y151-L269 WeakPolarHBondContact OH-CD1 3.07Å; F157-L269 HydrophobicContact CE1-CD2 4.24Å; F157-L269 HydrophobicContact CZ-CD1 4.41Å; F157-L269 HydrophobicContact CZ-CD2 3.76Å; V255-L269 HydrophobicContact CG1-CD2 3.95Å; L257-L269 HydrophobicContact CD1-CD2 3.94Å; L257-L269 HydrophobicContact CD2-CD2 4.46Å; L257-L269 HydrophobicContact CG-CD2 4.46Å; T265-L269 PolarHBondContact O-N 2.91Å; L266-L269 PolarHBondContact O-N 2.91Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.3Å; L269-D272 PolarHBondContact O-N 3.29Å; L269-I273 HydrophobicContact CD1-CD1 4.27Å; L269-I273 HydrophobicContact CG-CD1 4.15Å; L269-I273 WeakPolarHBondContact O-CD1 3.38Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 2.74Å; L269-I273 VanDerWaalsContact O-N 3.08Å; L269-F435 HydrophobicContact CB-CE1 4.2Å; L269-F435 HydrophobicContact CD2-CE1 3.83Å; L269-F435 HydrophobicContact CD2-CZ 4.13Å; L269-F435 HydrophobicContact CG-CE1 3.9Å; L269-F435 HydrophobicContact CG-CZ 4.01Å
270V98.6Very high97.3Very high0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-65.9-43175.1174.10000111.3L266 L267 Q268 I273 V274 F357 F382 L384 C393 F435L266-V270 WeakPolarHBondContact O-CG2 3.46Å; L266-V270 PolarHBondContact O-N 2.72Å; L267-V270 PolarHBondContact O-N 2.83Å; Q268-V270 VanDerWaalsContact C-N 3.35Å; Q268-V270 PolarHBondContact O-N 3.44Å; V270-I273 PolarHBondContact O-N 2.85Å; V270-V274 WeakPolarHBondContact O-CG2 3.38Å; V270-V274 PolarHBondContact O-N 3.07Å; V270-F357 HydrophobicContact CB-CE1 4.35Å; V270-F357 HydrophobicContact CB-CZ 4.12Å; V270-F357 HydrophobicContact CG1-CE1 4.1Å; V270-F357 HydrophobicContact CG1-CZ 4.03Å; V270-F382 HydrophobicContact CG2-CE2 3.95Å; V270-F382 HydrophobicContact CG2-CZ 3.73Å; V270-L384 HydrophobicContact CG1-CD2 3.61Å; V270-C393 HydrophobicContact CG1-CB 4.07Å; V270-F435 HydrophobicContact CG2-CB 4.47Å; V270-F435 HydrophobicContact CG2-CD1 3.57Å; V270-F435 HydrophobicContact CG2-CD2 3.9Å; V270-F435 HydrophobicContact CG2-CE1 3.62Å; V270-F435 HydrophobicContact CG2-CE2 3.96Å; V270-F435 HydrophobicContact CG2-CG 3.71Å; V270-F435 HydrophobicContact CG2-CZ 3.82Å
271E98.1Very high97.2Very high14 Ų1440.7 Ų40.77%0.06519%0.194CC..Hα-helixtrans-55.4-52.7173.2-72.6172.9152.100110.9L267 Q268 I273 V274 V275 F313 F357L267-E271 WeakPolarHBondContact O-CG 3.34Å; L267-E271 PolarHBondContact O-N 2.97Å; Q268-E271 WeakPolarHBondContact O-CB 3.35Å; Q268-E271 PolarHBondContact O-N 3.3Å; E271-I273 VanDerWaalsContact C-N 3.27Å; E271-I273 PolarHBondContact O-N 2.89Å; E271-V274 PolarHBondContact O-N 3.42Å; E271-V274 VanDerWaalsContact O-N 3.13Å; E271-V275 WeakPolarHBondContact O-CB 3.31Å; E271-V275 VanDerWaalsContact O-CG2 3.27Å; E271-V275 WeakPolarHBondContact O-CG2 3.33Å; E271-V275 PolarHBondContact O-N 3.49Å; E271-F313 HydrophobicContact CB-CD2 4.44Å; E271-F313 HydrophobicContact CB-CE2 4.23Å; E271-F313 HydrophobicContact CB-CZ 4.46Å; E271-F313 HydrophobicContact CG-CB 4.39Å; E271-F313 HydrophobicContact CG-CD1 4.44Å; E271-F313 HydrophobicContact CG-CD2 3.55Å; E271-F313 HydrophobicContact CG-CE2 3.81Å; E271-F313 HydrophobicContact CG-CG 3.89Å; E271-F313 HydrophobicContact CG-CZ 4.36Å; E271-F313 WeakPolarHBondContact OE1-CB 3.47Å; E271-F313 PolarHBondContact OE1-N 3.19Å; E271-F357 HydrophobicContact CG-CE2 3.54Å; E271-F357 HydrophobicContact CG-CZ 3.93Å
272D97.8Very high97.1Very high57 Ų5738 Ų3831%0.30518%0.179SC..Hα-helixtrans-56-42-179.7-74.83.6000111.8Y151 Q268 L269 F276Y151-D272 WeakPolarHBondContact OH-CB 3.48Å; Q268-D272 PolarHBondContact NE2-OD1 3.06Å; Q268-D272 WeakPolarHBondContact O-CB 3.33Å; Q268-D272 VanDerWaalsContact O-CG 3.24Å; Q268-D272 PolarHBondContact O-N 3.08Å; L269-D272 PolarHBondContact O-N 3.29Å; D272-F276 WeakPolarHBondContact O-CB 3.43Å; D272-F276 PolarHBondContact O-N 3.49Å
273I98.2Very high96.9Very high0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-66.1-44.3178.6-70.4161.9000111.3L148 Y151 F152 L269 V270 E271 S277 F435 L437L148-I273 HydrophobicContact CD2-CG2 3.86Å; Y151-I273 HydrophobicContact CD1-CG1 4.19Å; Y151-I273 HydrophobicContact CE1-CD1 4.28Å; Y151-I273 HydrophobicContact CE1-CG1 3.52Å; F152-I273 HydrophobicContact CE1-CD1 4.15Å; F152-I273 HydrophobicContact CZ-CD1 3.6Å; F152-I273 HydrophobicContact CZ-CG1 4.26Å; L269-I273 HydrophobicContact CD1-CD1 4.27Å; L269-I273 HydrophobicContact CG-CD1 4.15Å; L269-I273 WeakPolarHBondContact O-CD1 3.38Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 2.74Å; L269-I273 VanDerWaalsContact O-N 3.08Å; V270-I273 PolarHBondContact O-N 2.85Å; E271-I273 VanDerWaalsContact C-N 3.27Å; E271-I273 PolarHBondContact O-N 2.89Å; I273-S277 WeakPolarHBondContact O-CB 3.43Å; I273-S277 PolarHBondContact O-N 3.35Å; I273-S277 PolarHBondContact O-OG 3.29Å; I273-F435 HydrophobicContact CD1-CE2 3.97Å; I273-F435 HydrophobicContact CD1-CZ 3.56Å; I273-L437 HydrophobicContact CG2-CD1 4.2Å
274V98.3Very high96.2Very high0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-67-45.5179.9172.60000110.6V270 E271 S277 A278 I307 F313 L384 L392 F445V270-V274 WeakPolarHBondContact O-CG2 3.38Å; V270-V274 PolarHBondContact O-N 3.07Å; E271-V274 PolarHBondContact O-N 3.42Å; E271-V274 VanDerWaalsContact O-N 3.13Å; V274-S277 PolarHBondContact O-N 3.36Å; V274-A278 PolarHBondContact O-N 2.63Å; V274-I307 HydrophobicContact CG1-CG2 4.03Å; V274-F313 HydrophobicContact CB-CE2 4.13Å; V274-F313 HydrophobicContact CB-CZ 4.06Å; V274-F313 HydrophobicContact CG1-CE2 4.16Å; V274-F313 HydrophobicContact CG1-CZ 3.87Å; V274-L384 HydrophobicContact CG2-CD2 4.03Å; V274-L392 HydrophobicContact CG2-CD2 3.97Å; V274-F445 HydrophobicContact CG1-CE1 3.98Å
275V98.1Very high95.2Very high11 Ų1132 Ų327%0.06717%0.166CC..Hα-helixtrans-62.1-46176.4172.50000110.8E271 S277 A278 R279 I307 F313E271-V275 WeakPolarHBondContact O-CB 3.31Å; E271-V275 VanDerWaalsContact O-CG2 3.27Å; E271-V275 WeakPolarHBondContact O-CG2 3.33Å; E271-V275 PolarHBondContact O-N 3.49Å; V275-S277 VanDerWaalsContact C-N 3.34Å; V275-S277 PolarHBondContact O-N 3.43Å; V275-A278 PolarHBondContact O-N 2.96Å; V275-R279 WeakPolarHBondContact O-CG 3.43Å; V275-R279 PolarHBondContact O-N 2.58Å; V275-I307 HydrophobicContact CG2-CG2 4.45Å; V275-F313 HydrophobicContact CG2-CE1 4.19Å; V275-F313 HydrophobicContact CG2-CZ 4.11Å
276F97.7Very high94.7Very high39 Ų3931.2 Ų31.217%0.17116%0.164CC..Hα-helixtrans-56.8-47.7174.3169.9-99000111.4A147 L148 Y151 D272 A278 R279 E280A147-F276 HydrophobicContact CB-CE1 4.03Å; A147-F276 HydrophobicContact CB-CZ 4.07Å; A147-F276 WeakPolarHBondContact O-CE1 3.25Å; A147-F276 WeakPolarHBondContact O-CZ 3.49Å; L148-F276 HydrophobicContact CD2-CD1 4.43Å; Y151-F276 HydrophobicContact CD2-CB 4Å; Y151-F276 AromaticContact CD2-CD1 3.8Å; Y151-F276 HydrophobicContact CD2-CD1 3.8Å; Y151-F276 AromaticContact CD2-CD2 3.79Å; Y151-F276 HydrophobicContact CD2-CD2 3.79Å; Y151-F276 HydrophobicContact CD2-CE1 4.21Å; Y151-F276 HydrophobicContact CD2-CE2 4.19Å; Y151-F276 AromaticContact CD2-CG 3.57Å; Y151-F276 HydrophobicContact CD2-CG 3.57Å; Y151-F276 HydrophobicContact CD2-CZ 4.38Å; Y151-F276 HydrophobicContact CE2-CB 4.08Å; Y151-F276 HydrophobicContact CE2-CG 4.17Å; Y151-F276 HydrophobicContact CG-CD1 4.14Å; Y151-F276 HydrophobicContact CG-CE1 4.26Å; Y151-F276 HydrophobicContact CG-CG 4.36Å; D272-F276 WeakPolarHBondContact O-CB 3.43Å; D272-F276 PolarHBondContact O-N 3.49Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 3.48Å; F276-R279 PolarHBondContact O-N 3.13Å; F276-E280 HydrophobicContact CD1-CG 4.17Å; F276-E280 HydrophobicContact CD2-CG 4.11Å; F276-E280 HydrophobicContact CE1-CG 3.69Å; F276-E280 HydrophobicContact CE2-CG 3.63Å; F276-E280 HydrophobicContact CG-CG 4.36Å; F276-E280 HydrophobicContact CZ-CG 3.4Å; F276-E280 VanDerWaalsContact CZ-CG 3.4Å; F276-E280 WeakPolarHBondContact O-CG 3.35Å; F276-E280 PolarHBondContact O-N 3.21Å
277S97.6Very high94.4Very high0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-63.6-38.5-179.4-56.30000112.2M144 I273 V274 V275 L281M144-S277 WeakPolarHBondContact CE-O 3.22Å; I273-S277 WeakPolarHBondContact O-CB 3.43Å; I273-S277 PolarHBondContact O-N 3.35Å; I273-S277 PolarHBondContact O-OG 3.29Å; V274-S277 PolarHBondContact O-N 3.36Å; V275-S277 VanDerWaalsContact C-N 3.34Å; V275-S277 PolarHBondContact O-N 3.43Å; S277-L281 WeakPolarHBondContact O-CB 3.26Å; S277-L281 PolarHBondContact O-N 2.92Å; S277-L281 VanDerWaalsContact O-N 3.08Å
278A96.8Very high94.2Very high0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-63.1-4617400000111.7V274 V275 F276 L281 L282 L304 I307 L446V274-A278 PolarHBondContact O-N 2.63Å; V275-A278 PolarHBondContact O-N 2.96Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 3.48Å; A278-L281 PolarHBondContact O-N 2.87Å; A278-L282 WeakPolarHBondContact O-CG 3.44Å; A278-L282 PolarHBondContact O-N 2.98Å; A278-L304 HydrophobicContact CB-CD2 4.03Å; A278-I307 HydrophobicContact CB-CB 4.43Å; A278-I307 HydrophobicContact CB-CG2 4.03Å; A278-L446 HydrophobicContact CB-CD2 4.27Å
279R96Very high94Very high127 Ų12730 Ų3048%0.47916%0.16SC..Hα-helixtrans-62.4-45.2176.9-71.2175.2-176154.62.1112.3V275 F276 L281 L282 T283 S308V275-R279 WeakPolarHBondContact O-CG 3.43Å; V275-R279 PolarHBondContact O-N 2.58Å; F276-R279 PolarHBondContact O-N 3.13Å; R279-L281 VanDerWaalsContact C-N 3.31Å; R279-L281 PolarHBondContact O-N 2.8Å; R279-L282 PolarHBondContact O-N 2.97Å; R279-T283 WeakPolarHBondContact O-CB 3.12Å; R279-T283 WeakPolarHBondContact O-CG2 3.04Å; R279-T283 PolarHBondContact O-N 3.17Å; R279-T283 PolarHBondContact O-OG1 3.28Å; R279-S308 PolarHBondContact NE-O 3.14Å; R279-S308 PolarHBondContact NH2-O 2.97Å
280E95.5Very high93.9Very high39 Ų3933.5 Ų33.518%0.18218%0.176CC..Hα-helixtrans-61.1-41.1177.9-75.1-71.7112.300111.2M144 A147 R150 F276 T283 S284M144-E280 HydrophobicContact CE-CB 4.24Å; A147-E280 HydrophobicContact CB-CG 4.06Å; A147-E280 WeakPolarHBondContact CB-OE2 3.45Å; R150-E280 IonicContact NH2-OE1 3.55Å; R150-E280 IonicContact NH2-OE2 3.63Å; R150-E280 PolarHBondContact NH2-OE2 2.8Å; F276-E280 HydrophobicContact CD1-CG 4.17Å; F276-E280 HydrophobicContact CD2-CG 4.11Å; F276-E280 HydrophobicContact CE1-CG 3.69Å; F276-E280 HydrophobicContact CE2-CG 3.63Å; F276-E280 HydrophobicContact CG-CG 4.36Å; F276-E280 HydrophobicContact CZ-CG 3.4Å; F276-E280 VanDerWaalsContact CZ-CG 3.4Å; F276-E280 WeakPolarHBondContact O-CG 3.35Å; F276-E280 PolarHBondContact O-N 3.21Å; E280-T283 PolarHBondContact O-OG1 3.18Å; E280-S284 VanDerWaalsContact O-CB 3.25Å; E280-S284 WeakPolarHBondContact O-CB 3.42Å; E280-S284 PolarHBondContact O-N 3.45Å; E280-S284 PolarHBondContact O-OG 2.95Å
281L94.4Very high93.6Very high3 Ų335.7 Ų35.72%0.01619%0.186CC..Hα-helixtrans-67.2-41.8179.2-173.558.2000112.3I140 M144 S277 A278 R279 T283 F289 L304 L446 L447I140-L281 HydrophobicContact CD1-CD1 4.43Å; I140-L281 HydrophobicContact CG1-CD1 4.36Å; I140-L281 HydrophobicContact CG2-CD1 3.66Å; M144-L281 HydrophobicContact CE-CB 4.05Å; S277-L281 WeakPolarHBondContact O-CB 3.26Å; S277-L281 PolarHBondContact O-N 2.92Å; S277-L281 VanDerWaalsContact O-N 3.08Å; A278-L281 PolarHBondContact O-N 2.87Å; R279-L281 VanDerWaalsContact C-N 3.31Å; R279-L281 PolarHBondContact O-N 2.8Å; L281-T283 VanDerWaalsContact C-N 3.35Å; L281-T283 PolarHBondContact O-N 3.27Å; L281-F289 HydrophobicContact CD1-CB 4.45Å; L281-F289 HydrophobicContact CD1-CD2 3.96Å; L281-F289 HydrophobicContact CD2-CD2 3.78Å; L281-F289 HydrophobicContact CD2-CE2 3.86Å; L281-F289 HydrophobicContact CG-CD2 3.71Å; L281-F289 HydrophobicContact CG-CE2 4.17Å; L281-F289 HydrophobicContact CG-CG 4.5Å; L281-L304 HydrophobicContact CD2-CD1 3.74Å; L281-L304 HydrophobicContact CG-CD1 4.33Å; L281-L446 HydrophobicContact CD2-CB 3.79Å; L281-L447 HydrophobicContact CD1-CD2 4.27Å; L281-L447 HydrophobicContact CD2-CD2 3.79Å; L281-L447 HydrophobicContact CD2-CG 4.4Å
282L92.9Very high93.5Very high45 Ų4535 Ų3524%0.23618%0.183CC..Hα-helixtrans-66.7-32.4178.5-73.4172000113.3A278 R279 K301 L304A278-L282 WeakPolarHBondContact O-CG 3.44Å; A278-L282 PolarHBondContact O-N 2.98Å; R279-L282 PolarHBondContact O-N 2.97Å; L282-K301 HydrophobicContact CD2-CG 4.11Å; L282-L304 HydrophobicContact CD1-CB 4.04Å; L282-L304 HydrophobicContact CD2-CB 4.07Å; L282-L304 HydrophobicContact CD2-CD1 4.37Å; L282-L304 HydrophobicContact CG-CB 4.09Å
283T90.8Very high93.3Very high106 Ų10632.9 Ų32.965%0.6517%0.171SC*.Hα-helixtrans-98.8-37.8-172.255.50000114R279 E280 L281R279-T283 WeakPolarHBondContact O-CB 3.12Å; R279-T283 WeakPolarHBondContact O-CG2 3.04Å; R279-T283 PolarHBondContact O-N 3.17Å; R279-T283 PolarHBondContact O-OG1 3.28Å; E280-T283 PolarHBondContact O-OG1 3.18Å; L281-T283 VanDerWaalsContact C-N 3.35Å; L281-T283 PolarHBondContact O-N 3.27Å
284S82.2Confident93.1Very high51 Ų5139.6 Ų39.636%0.35720%0.203SC..Hα-helixtrans-92.2-20.7-168.771.60000114.7E280E280-S284 VanDerWaalsContact O-CB 3.25Å; E280-S284 WeakPolarHBondContact O-CB 3.42Å; E280-S284 PolarHBondContact O-N 3.45Å; E280-S284 PolarHBondContact O-OG 2.95Å
285S76.1Confident92.9Very high5 Ų540.7 Ų40.74%0.03521%0.207CC..  trans-139.736.7-161.4-62.10000113.7R143 D287 D288 F289R143-S285 WeakPolarHBondContact CD-OG 3.25Å; R143-S285 PolarHBondContact NH1-OG 3.22Å; S285-D287 PolarHBondContact O-N 3.45Å; S285-D288 PolarHBondContact O-N 3.23Å; S285-F289 WeakPolarHBondContact O-CB 3.21Å; S285-F289 PolarHBondContact O-N 2.94Å
286S86.4Confident92.6Very high52 Ų5242 Ų4236%0.36421%0.212SC..Hα-helixtrans-49.2-54.7-175.856.30000113.6D288 F289 E290S286-D288 PolarHBondContact O-N 3Å; S286-F289 WeakPolarHBondContact O-CB 3.46Å; S286-F289 PolarHBondContact O-N 2.9Å; S286-E290 WeakPolarHBondContact O-CB 3.38Å; S286-E290 WeakPolarHBondContact O-CG 3.38Å; S286-E290 PolarHBondContact O-N 3.45Å
287D91.5Very high92.5Very high51 Ų5143.3 Ų43.327%0.27324%0.237SC..Hα-helixtrans-68.9-39-173.6-53.7-2.3000111.6A53 R54 S285 M291A53-D287 HydrophobicContact CB-CB 3.66Å; R54-D287 IonicContact NE-OD2 2.85Å; S285-D287 PolarHBondContact O-N 3.45Å; D287-M291 VanDerWaalsContact O-CB 3.31Å; D287-M291 WeakPolarHBondContact O-CB 3.34Å; D287-M291 PolarHBondContact O-N 3.2Å
288D95.2Very high92.3Very high5 Ų545 Ų453%0.02725%0.247CC..Hα-helixtrans-67.8-41.3176.8-73.1-36.6000110.7A136 R139 I140 R143 S285 S286 M291 C292A136-D288 HydrophobicContact CB-CB 4.05Å; R139-D288 IonicContact CZ-OD1 2.73Å; R139-D288 IonicContact NE-OD1 3.82Å; R139-D288 PolarHBondContact NE-OD1 2.97Å; R139-D288 IonicContact NE-OD2 2.97Å; R139-D288 PolarHBondContact NE-OD2 3.24Å; R139-D288 IonicContact NH2-OD1 2.75Å; R139-D288 PolarHBondContact NH2-OD1 3.07Å; I140-D288 HydrophobicContact CD1-CB 4Å; I140-D288 HydrophobicContact CG1-CB 3.79Å; R143-D288 IonicContact CZ-OD2 3.52Å; R143-D288 IonicContact NH1-OD2 3.9Å; R143-D288 PolarHBondContact NH1-OD2 2.93Å; R143-D288 IonicContact NH2-OD2 2.97Å; R143-D288 PolarHBondContact NH2-OD2 3.48Å; S285-D288 PolarHBondContact O-N 3.23Å; S286-D288 PolarHBondContact O-N 3Å; D288-M291 PolarHBondContact O-N 3.06Å; D288-C292 VanDerWaalsContact O-CB 3.29Å; D288-C292 WeakPolarHBondContact O-CB 3.41Å; D288-C292 PolarHBondContact O-N 3.41Å
289F94.6Very high92.1Very high9 Ų949.5 Ų49.54%0.03928%0.279CS..Hα-helixtrans-61.6-51.2177.6174.3-100.6000110.2L281 S285 S286 M291 C292 Q293 S300 K301 L304 L447L281-F289 HydrophobicContact CD1-CB 4.45Å; L281-F289 HydrophobicContact CD1-CD2 3.96Å; L281-F289 HydrophobicContact CD2-CD2 3.78Å; L281-F289 HydrophobicContact CD2-CE2 3.86Å; L281-F289 HydrophobicContact CG-CD2 3.71Å; L281-F289 HydrophobicContact CG-CE2 4.17Å; L281-F289 HydrophobicContact CG-CG 4.5Å; S285-F289 WeakPolarHBondContact O-CB 3.21Å; S285-F289 PolarHBondContact O-N 2.94Å; S286-F289 WeakPolarHBondContact O-CB 3.46Å; S286-F289 PolarHBondContact O-N 2.9Å; F289-M291 PolarHBondContact O-N 3.4Å; F289-C292 WeakPolarHBondContact O-CB 3.4Å; F289-C292 PolarHBondContact O-N 3.36Å; F289-C292 VanDerWaalsContact O-N 3.14Å; F289-Q293 HydrophobicContact CD1-CG 4.15Å; F289-Q293 HydrophobicContact CD2-CG 4.35Å; F289-Q293 HydrophobicContact CE1-CG 3.76Å; F289-Q293 HydrophobicContact CE2-CG 3.98Å; F289-Q293 HydrophobicContact CG-CG 4.43Å; F289-Q293 HydrophobicContact CZ-CG 3.67Å; F289-Q293 VanDerWaalsContact O-CG 3.31Å; F289-Q293 WeakPolarHBondContact O-CG 3.47Å; F289-Q293 PolarHBondContact O-N 2.95Å; F289-S300 WeakPolarHBondContact CZ-OG 3.14Å; F289-K301 HydrophobicContact CE1-CB 4.04Å; F289-K301 HydrophobicContact CE1-CG 4.36Å; F289-K301 HydrophobicContact CZ-CB 4.32Å; F289-L304 HydrophobicContact CE2-CD1 3.62Å; F289-L304 HydrophobicContact CZ-CD1 3.78Å; F289-L447 HydrophobicContact CD2-CD2 3.71Å; F289-L447 HydrophobicContact CE2-CD2 4.01Å
290E94.1Very high92Very high90 Ų9043.6 Ų43.642%0.42126%0.257SS..Hα-helixtrans-59.8-44.5178.1-73.4177.3-175.100111.9S286 C292 Q293 Q294S286-E290 WeakPolarHBondContact O-CB 3.38Å; S286-E290 WeakPolarHBondContact O-CG 3.38Å; S286-E290 PolarHBondContact O-N 3.45Å; E290-C292 VanDerWaalsContact C-N 3.31Å; E290-C292 PolarHBondContact O-N 3.09Å; E290-Q293 PolarHBondContact O-N 3.04Å; E290-Q294 WeakPolarHBondContact O-CB 3.5Å; E290-Q294 VanDerWaalsContact O-CG 3.27Å; E290-Q294 WeakPolarHBondContact O-CG 3.33Å; E290-Q294 PolarHBondContact O-N 2.9Å
291M93.9Very high91.9Very high45 Ų4547 Ų4722%0.22227%0.272CS..Hα-helixtrans-61.1-40.7175.6-175.7175.6-74.900112.1A53 A136 D287 D288 F289 Y295A53-M291 HydrophobicContact CB-CE 3.82Å; A53-M291 HydrophobicContact CB-SD 4.37Å; A53-M291 WeakPolarHBondContact O-CE 3.39Å; A136-M291 HydrophobicContact CB-CB 4.14Å; A136-M291 HydrophobicContact CB-CG 4.13Å; A136-M291 HydrophobicContact CB-SD 3.81Å; D287-M291 VanDerWaalsContact O-CB 3.31Å; D287-M291 WeakPolarHBondContact O-CB 3.34Å; D287-M291 PolarHBondContact O-N 3.2Å; D288-M291 PolarHBondContact O-N 3.06Å; F289-M291 PolarHBondContact O-N 3.4Å; M291-Y295 VanDerWaalsContact O-CB 3.29Å; M291-Y295 WeakPolarHBondContact O-CB 3.48Å; M291-Y295 PolarHBondContact O-N 2.82Å
292C94.5Very high91.9Very high0 Ų050.8 Ų50.80%030%0.298CS..Hα-helixtrans-65.3-46.5176.8-169.80000111.4I140 D288 F289 E290 Y295 H296I140-C292 HydrophobicContact CD1-CB 4.08Å; D288-C292 VanDerWaalsContact O-CB 3.29Å; D288-C292 WeakPolarHBondContact O-CB 3.41Å; D288-C292 PolarHBondContact O-N 3.41Å; F289-C292 WeakPolarHBondContact O-CB 3.4Å; F289-C292 PolarHBondContact O-N 3.36Å; F289-C292 VanDerWaalsContact O-N 3.14Å; E290-C292 VanDerWaalsContact C-N 3.31Å; E290-C292 PolarHBondContact O-N 3.09Å; C292-Y295 PolarHBondContact O-N 2.9Å; C292-H296 PolarHBondContact O-CD2 2.88Å; C292-H296 PolarHBondContact O-N 2.77Å
293Q93.8Very high92Very high13 Ų1350 Ų506%0.06129%0.294CS..Hα-helixtrans-59.1-49.5176.7-68.4-60.7-65.500111.3F289 E290 Y295 H296 G297 T298 S299 S300 L447F289-Q293 HydrophobicContact CD1-CG 4.15Å; F289-Q293 HydrophobicContact CD2-CG 4.35Å; F289-Q293 HydrophobicContact CE1-CG 3.76Å; F289-Q293 HydrophobicContact CE2-CG 3.98Å; F289-Q293 HydrophobicContact CG-CG 4.43Å; F289-Q293 HydrophobicContact CZ-CG 3.67Å; F289-Q293 VanDerWaalsContact O-CG 3.31Å; F289-Q293 WeakPolarHBondContact O-CG 3.47Å; F289-Q293 PolarHBondContact O-N 2.95Å; E290-Q293 PolarHBondContact O-N 3.04Å; Q293-Y295 VanDerWaalsContact C-N 3.29Å; Q293-Y295 PolarHBondContact O-N 3.01Å; Q293-H296 PolarHBondContact O-N 3.37Å; Q293-G297 WeakPolarHBondContact O-CA 3.42Å; Q293-G297 PolarHBondContact O-N 3.24Å; Q293-T298 WeakPolarHBondContact CB-O 3.42Å; Q293-T298 PolarHBondContact NE2-OG1 2.91Å; Q293-T298 PolarHBondContact O-N 3.2Å; Q293-T298 PolarHBondContact OE1-O 3.17Å; Q293-T298 VanDerWaalsContact OE1-O 3.1Å; Q293-T298 PolarHBondContact OE1-OG1 3.38Å; Q293-S299 VanDerWaalsContact OE1-N 3.09Å; Q293-S300 PolarHBondContact NE2-OG 3.33Å; Q293-S300 PolarHBondContact OE1-OG 3.44Å; Q293-L447 PolarHBondContact NE2-O 3.34Å
294Q94Very high92.3Very high141 Ų14145 Ų4566%0.65926%0.263SS*.Hα-helixtrans-60.9-37.4177-72.5174.8400112.6K115 E290K115-Q294 PolarHBondContact NZ-O 2.83Å; E290-Q294 WeakPolarHBondContact O-CB 3.5Å; E290-Q294 VanDerWaalsContact O-CG 3.27Å; E290-Q294 WeakPolarHBondContact O-CG 3.33Å; E290-Q294 PolarHBondContact O-N 2.9Å
295Y93.9Very high92.9Very high22 Ų2244.6 Ų44.69%0.08626%0.26CS..Hα-helixtrans-67.5-47.6178.8179.3-111.5000111.8K115 Q116 P118 L121 S133 M291 C292 Q293 G297K115-Y295 WeakPolarHBondContact CE-O 3.45Å; K115-Y295 PolarHBondContact NZ-O 3.47Å; Q116-Y295 VanDerWaalsContact O-CE2 3.28Å; Q116-Y295 WeakPolarHBondContact O-CE2 3.49Å; Q116-Y295 PolarHBondContact O-OH 2.85Å; P118-Y295 WeakPolarHBondContact CA-OH 3.27Å; P118-Y295 HydrophobicContact CG-CE1 3.88Å; L121-Y295 HydrophobicContact CD1-CE1 4.25Å; L121-Y295 WeakPolarHBondContact CD1-OH 3.28Å; L121-Y295 WeakPolarHBondContact CG-OH 3.24Å; S133-Y295 VanDerWaalsContact CB-CB 3.41Å; S133-Y295 WeakPolarHBondContact OG-CD2 3.15Å; S133-Y295 WeakPolarHBondContact OG-CE2 3.34Å; M291-Y295 VanDerWaalsContact O-CB 3.29Å; M291-Y295 WeakPolarHBondContact O-CB 3.48Å; M291-Y295 PolarHBondContact O-N 2.82Å; C292-Y295 PolarHBondContact O-N 2.9Å; Q293-Y295 VanDerWaalsContact C-N 3.29Å; Q293-Y295 PolarHBondContact O-N 3.01Å; Y295-G297 VanDerWaalsContact C-N 3.31Å; Y295-G297 PolarHBondContact O-N 3.24Å
296H93.7Very high93.9Very high38 Ų3846.8 Ų46.818%0.17627%0.273CS..Hα-helixtrans-79.6-11.5179.3-73.8-78.8000114C292 Q293 T298 D454C292-H296 PolarHBondContact O-CD2 2.88Å; C292-H296 PolarHBondContact O-N 2.77Å; Q293-H296 PolarHBondContact O-N 3.37Å; H296-T298 VanDerWaalsContact C-N 3.3Å; H296-T298 HydrophobicContact CB-CG2 3.77Å; H296-D454 IonicContact CE1-OD2 2.76Å
297G94.1Very high94.4Very high68 Ų6844.3 Ų44.370%0.70126%0.256SS*.THydrogen-bonded Turntrans69.631.7-174.500000112Q293 Y295Q293-G297 WeakPolarHBondContact O-CA 3.42Å; Q293-G297 PolarHBondContact O-N 3.24Å; Y295-G297 VanDerWaalsContact C-N 3.31Å; Y295-G297 PolarHBondContact O-N 3.24Å
298T93.7Very high94.6Very high34 Ų3442.6 Ų42.621%0.20925%0.248CC..  trans-108.3161-17556.50000110.7Q293 H296 L447 A448Q293-T298 WeakPolarHBondContact CB-O 3.42Å; Q293-T298 PolarHBondContact NE2-OG1 2.91Å; Q293-T298 PolarHBondContact O-N 3.2Å; Q293-T298 PolarHBondContact OE1-O 3.17Å; Q293-T298 VanDerWaalsContact OE1-O 3.1Å; Q293-T298 PolarHBondContact OE1-OG1 3.38Å; H296-T298 VanDerWaalsContact C-N 3.3Å; H296-T298 HydrophobicContact CB-CG2 3.77Å; T298-L447 PolarHBondContact OG1-O 3.48Å; T298-A448 HydrophobicContact CG2-CB 4.22Å; T298-A448 WeakPolarHBondContact CG2-O 3.32Å
299S92.7Very high94.6Very high96 Ų9649.5 Ų49.567%0.67128%0.28SS*.  trans-144.489174.2173.30000110.3Q293Q293-S299 VanDerWaalsContact OE1-N 3.09Å
300S94.3Very high94.6Very high2 Ų250.6 Ų50.61%0.01429%0.286CS..  trans-98.2-4.1178.265.30000114.2F289 Q293 S302 L303 L304 L446F289-S300 WeakPolarHBondContact CZ-OG 3.14Å; Q293-S300 PolarHBondContact NE2-OG 3.33Å; Q293-S300 PolarHBondContact OE1-OG 3.44Å; S300-S302 PolarHBondContact O-N 2.81Å; S300-L303 WeakPolarHBondContact O-CB 3.34Å; S300-L303 PolarHBondContact O-N 3.34Å; S300-L303 VanDerWaalsContact O-N 3.15Å; S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 3.09Å; S300-L446 WeakPolarHBondContact CB-O 3.4Å; S300-L446 PolarHBondContact OG-O 2.84Å
301K93.8Very high94.6Very high112 Ų11255 Ų5549%0.48731%0.306SS..Hα-helixtrans-55.5-47-173.1-167.6173.1-177.8171.90113.4L282 F289 L304 S305L282-K301 HydrophobicContact CD2-CG 4.11Å; F289-K301 HydrophobicContact CE1-CB 4.04Å; F289-K301 HydrophobicContact CE1-CG 4.36Å; F289-K301 HydrophobicContact CZ-CB 4.32Å; K301-L304 PolarHBondContact O-N 3.02Å; K301-S305 PolarHBondContact O-N 3.37Å; K301-S305 PolarHBondContact O-OG 3.2Å
302S94.5Very high94.7Very high81 Ų8156.5 Ų56.557%0.56632%0.321SS*.Hα-helixtrans-65.2-40.4179.253.30000112.8S300 S305 T306S300-S302 PolarHBondContact O-N 2.81Å; S302-S305 PolarHBondContact O-N 3.45Å; S302-T306 PolarHBondContact O-N 3.31Å; S302-T306 PolarHBondContact O-OG1 2.98Å
303L95Very high94.8Very high29 Ų2957 Ų5715%0.15232%0.323CS..Hα-helixtrans-63.3-46.2174.9174.460.7000110.8S300 T306 I307 N353 P387 F445S300-L303 WeakPolarHBondContact O-CB 3.34Å; S300-L303 PolarHBondContact O-N 3.34Å; S300-L303 VanDerWaalsContact O-N 3.15Å; L303-T306 WeakPolarHBondContact O-CB 3.28Å; L303-T306 PolarHBondContact O-N 3.4Å; L303-I307 HydrophobicContact CD1-CD1 3.78Å; L303-I307 HydrophobicContact CD1-CG1 4.18Å; L303-I307 HydrophobicContact CD2-CD1 4.49Å; L303-I307 HydrophobicContact CG-CD1 3.71Å; L303-I307 WeakPolarHBondContact O-CD1 3.3Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 3.46Å; L303-N353 VanDerWaalsContact CD1-O 3.28Å; L303-N353 WeakPolarHBondContact CD1-O 3.34Å; L303-P387 HydrophobicContact CD2-CB 4.24Å; L303-P387 HydrophobicContact CD2-CG 4.16Å; L303-F445 HydrophobicContact CD2-CE2 4.08Å
304L95.7Very high95Very high1 Ų158.3 Ų58.31%0.00533%0.333CS..Hα-helixtrans-62.5-42.5177.1-68-179000112.1A278 L281 L282 F289 S300 K301 T306 I307 S308 L446A278-L304 HydrophobicContact CB-CD2 4.03Å; L281-L304 HydrophobicContact CD2-CD1 3.74Å; L281-L304 HydrophobicContact CG-CD1 4.33Å; L282-L304 HydrophobicContact CD1-CB 4.04Å; L282-L304 HydrophobicContact CD2-CB 4.07Å; L282-L304 HydrophobicContact CD2-CD1 4.37Å; L282-L304 HydrophobicContact CG-CB 4.09Å; F289-L304 HydrophobicContact CE2-CD1 3.62Å; F289-L304 HydrophobicContact CZ-CD1 3.78Å; S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 3.09Å; K301-L304 PolarHBondContact O-N 3.02Å; L304-T306 VanDerWaalsContact C-N 3.32Å; L304-T306 PolarHBondContact O-N 3.29Å; L304-I307 PolarHBondContact O-N 2.76Å; L304-S308 VanDerWaalsContact O-CB 3.24Å; L304-S308 WeakPolarHBondContact O-CB 3.44Å; L304-S308 PolarHBondContact O-N 3.21Å; L304-S308 PolarHBondContact O-OG 3.01Å; L304-L446 HydrophobicContact CD2-CB 4.21Å; L304-L446 HydrophobicContact CD2-CD2 3.49Å; L304-L446 VanDerWaalsContact CD2-CD2 3.49Å; L304-L446 HydrophobicContact CD2-CG 4.46Å
305S95.8Very high95.2Very high42 Ų4257.8 Ų57.829%0.29433%0.329SS..Hα-helixtrans-58.8-46.1174.3-68.80000110.8K301 S302 I307 S308 E309K301-S305 PolarHBondContact O-N 3.37Å; K301-S305 PolarHBondContact O-OG 3.2Å; S302-S305 PolarHBondContact O-N 3.45Å; S305-I307 PolarHBondContact O-N 2.81Å; S305-S308 WeakPolarHBondContact CA-OG 3.09Å; S305-S308 PolarHBondContact O-N 2.91Å; S305-S308 PolarHBondContact O-OG 2.98Å; S305-E309 WeakPolarHBondContact O-CG 3.46Å; S305-E309 PolarHBondContact O-N 3.24Å
306T96.3Very high95.4Very high51 Ų5157.4 Ų57.431%0.31333%0.328SS..Hα-helixtrans-58.7-51.9176-55.30000111.2S302 L303 L304 S308 E309 M310 K354S302-T306 PolarHBondContact O-N 3.31Å; S302-T306 PolarHBondContact O-OG1 2.98Å; L303-T306 WeakPolarHBondContact O-CB 3.28Å; L303-T306 PolarHBondContact O-N 3.4Å; L304-T306 VanDerWaalsContact C-N 3.32Å; L304-T306 PolarHBondContact O-N 3.29Å; T306-S308 VanDerWaalsContact C-N 3.27Å; T306-S308 PolarHBondContact O-N 2.86Å; T306-E309 PolarHBondContact O-N 3.46Å; T306-E309 VanDerWaalsContact O-N 3.13Å; T306-M310 WeakPolarHBondContact O-CG 3.4Å; T306-M310 PolarHBondContact O-N 3.21Å; T306-K354 HydrophobicContact CG2-CD 4.28Å
307I96.8Very high95.5Very high0 Ų057.6 Ų57.60%033%0.332CS..Hα-helixtrans-59.5-40.3179.1-67.5158.7000110.9V274 V275 A278 L303 L304 S305 E309 M310 F313 P355 F445V274-I307 HydrophobicContact CG1-CG2 4.03Å; V275-I307 HydrophobicContact CG2-CG2 4.45Å; A278-I307 HydrophobicContact CB-CB 4.43Å; A278-I307 HydrophobicContact CB-CG2 4.03Å; L303-I307 HydrophobicContact CD1-CD1 3.78Å; L303-I307 HydrophobicContact CD1-CG1 4.18Å; L303-I307 HydrophobicContact CD2-CD1 4.49Å; L303-I307 HydrophobicContact CG-CD1 3.71Å; L303-I307 WeakPolarHBondContact O-CD1 3.3Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 3.46Å; L304-I307 PolarHBondContact O-N 2.76Å; S305-I307 PolarHBondContact O-N 2.81Å; I307-E309 PolarHBondContact O-N 2.95Å; I307-E309 VanDerWaalsContact O-N 3.11Å; I307-M310 HydrophobicContact CG1-SD 4.41Å; I307-M310 PolarHBondContact O-N 2.71Å; I307-F313 HydrophobicContact CG2-CZ 4.43Å; I307-P355 HydrophobicContact CD1-CG 4.44Å; I307-P355 HydrophobicContact CG1-CG 4.35Å; I307-F445 HydrophobicContact CD1-CE1 4.06Å; I307-F445 HydrophobicContact CD1-CE2 4.14Å; I307-F445 HydrophobicContact CD1-CZ 3.35Å
308S95.8Very high95.6Very high15 Ų1555.1 Ų55.111%0.10530%0.302CS..Hα-helixtrans-64.6-15.7-178.876.40000113.9R279 L304 S305 T306R279-S308 PolarHBondContact NE-O 3.14Å; R279-S308 PolarHBondContact NH2-O 2.97Å; L304-S308 VanDerWaalsContact O-CB 3.24Å; L304-S308 WeakPolarHBondContact O-CB 3.44Å; L304-S308 PolarHBondContact O-N 3.21Å; L304-S308 PolarHBondContact O-OG 3.01Å; S305-S308 WeakPolarHBondContact CA-OG 3.09Å; S305-S308 PolarHBondContact O-N 2.91Å; S305-S308 PolarHBondContact O-OG 2.98Å; T306-S308 VanDerWaalsContact C-N 3.27Å; T306-S308 PolarHBondContact O-N 2.86Å
309E95.9Very high95.6Very high151 Ų15156.3 Ų56.371%0.70632%0.315SS*.Hα-helixtrans-110.3-5.9-179.5-66.8171.5-175.600112.7S305 T306 I307 E311S305-E309 WeakPolarHBondContact O-CG 3.46Å; S305-E309 PolarHBondContact O-N 3.24Å; T306-E309 PolarHBondContact O-N 3.46Å; T306-E309 VanDerWaalsContact O-N 3.13Å; I307-E309 PolarHBondContact O-N 2.95Å; I307-E309 VanDerWaalsContact O-N 3.11Å; E309-E311 PolarHBondContact O-N 3.17Å
310M95.3Very high95.7Very high31 Ų3156 Ų5615%0.15330%0.303CS..  trans-69.9130.6178.8-74.7174.980.600111T306 I307 S312 F313 K354T306-M310 WeakPolarHBondContact O-CG 3.4Å; T306-M310 PolarHBondContact O-N 3.21Å; I307-M310 HydrophobicContact CG1-SD 4.41Å; I307-M310 PolarHBondContact O-N 2.71Å; M310-S312 WeakPolarHBondContact CE-O 3.24Å; M310-F313 HydrophobicContact CB-CD1 4.36Å; M310-F313 HydrophobicContact CB-CE1 4.16Å; M310-F313 HydrophobicContact CE-CD1 3.61Å; M310-F313 HydrophobicContact CE-CE1 4.24Å; M310-F313 HydrophobicContact SD-CD1 4.08Å; M310-F313 HydrophobicContact SD-CE1 4.09Å; M310-K354 HydrophobicContact CE-CB 4.39Å; M310-K354 HydrophobicContact CE-CD 4.12Å; M310-K354 HydrophobicContact SD-CD 4.13Å
311E92.3Very high95.7Very high182 Ų18255.9 Ų55.985%0.8530%0.302SS*.SBendtrans-79.5-34.9172.1-64.5-174.3164.400112.3E309E309-E311 PolarHBondContact O-N 3.17Å
312S96.1Very high95.7Very high77 Ų7751 Ų5154%0.53828%0.282SS..  trans-152.8154177.955.90000111.1M310M310-S312 WeakPolarHBondContact CE-O 3.24Å
313F97.9Very high95.6Very high10 Ų1051.5 Ų51.54%0.04428%0.275CS..  trans-91.6145.5173.8-59.5-16.7000110E271 V274 V275 I307 M310 K315 P355 F357 L384E271-F313 HydrophobicContact CB-CD2 4.44Å; E271-F313 HydrophobicContact CB-CE2 4.23Å; E271-F313 HydrophobicContact CB-CZ 4.46Å; E271-F313 HydrophobicContact CG-CB 4.39Å; E271-F313 HydrophobicContact CG-CD1 4.44Å; E271-F313 HydrophobicContact CG-CD2 3.55Å; E271-F313 HydrophobicContact CG-CE2 3.81Å; E271-F313 HydrophobicContact CG-CG 3.89Å; E271-F313 HydrophobicContact CG-CZ 4.36Å; E271-F313 WeakPolarHBondContact OE1-CB 3.47Å; E271-F313 PolarHBondContact OE1-N 3.19Å; V274-F313 HydrophobicContact CB-CE2 4.13Å; V274-F313 HydrophobicContact CB-CZ 4.06Å; V274-F313 HydrophobicContact CG1-CE2 4.16Å; V274-F313 HydrophobicContact CG1-CZ 3.87Å; V275-F313 HydrophobicContact CG2-CE1 4.19Å; V275-F313 HydrophobicContact CG2-CZ 4.11Å; I307-F313 HydrophobicContact CG2-CZ 4.43Å; M310-F313 HydrophobicContact CB-CD1 4.36Å; M310-F313 HydrophobicContact CB-CE1 4.16Å; M310-F313 HydrophobicContact CE-CD1 3.61Å; M310-F313 HydrophobicContact CE-CE1 4.24Å; M310-F313 HydrophobicContact SD-CD1 4.08Å; M310-F313 HydrophobicContact SD-CE1 4.09Å; F313-K315 PolarHBondContact O-N 2.86Å; F313-P355 HydrophobicContact CD1-CB 4.25Å; F313-P355 HydrophobicContact CD2-CB 3.56Å; F313-P355 HydrophobicContact CD2-CG 4.4Å; F313-P355 HydrophobicContact CE1-CB 4.38Å; F313-P355 HydrophobicContact CE1-CG 4.3Å; F313-P355 HydrophobicContact CE2-CB 3.72Å; F313-P355 HydrophobicContact CE2-CG 4.13Å; F313-P355 HydrophobicContact CG-CB 3.86Å; F313-P355 HydrophobicContact CZ-CB 4.14Å; F313-P355 HydrophobicContact CZ-CG 4.09Å; F313-F357 HydrophobicContact CB-CD2 4.03Å; F313-F357 HydrophobicContact CB-CE2 4Å; F313-F357 HydrophobicContact CD2-CD2 4.48Å; F313-F357 AromaticContact CD2-CE2 3.8Å; F313-F357 HydrophobicContact CD2-CE2 3.8Å; F313-F357 HydrophobicContact CD2-CZ 4.29Å; F313-F357 HydrophobicContact CG-CE2 4.34Å; F313-L384 HydrophobicContact CD2-CD1 3.86Å; F313-L384 HydrophobicContact CD2-CD2 4.49Å; F313-L384 HydrophobicContact CE2-CD1 4.42Å; F313-L384 HydrophobicContact CE2-CD2 4.29Å
314P97.6Very high95.5Very high42 Ų4251.2 Ų51.227%0.27327%0.274SS..  trans-49.8139.9167.9-27.234000111.4F351 P355 V356 F357P314-F351 HydrophobicContact CB-CD1 3.53Å; P314-F351 HydrophobicContact CB-CE1 3.95Å; P314-F351 HydrophobicContact CB-CG 4.18Å; P314-F351 HydrophobicContact CG-CB 4.47Å; P314-F351 HydrophobicContact CG-CD1 3.96Å; P314-P355 WeakPolarHBondContact CD-O 3.45Å; P314-V356 HydrophobicContact CB-CB 4.4Å; P314-V356 HydrophobicContact CB-CG2 4.08Å; P314-V356 CarbonylContact O-C 3.6Å; P314-V356 WeakPolarHBondContact O-CA 3.24Å; P314-V356 WeakPolarHBondContact O-CG2 3.24Å; P314-F357 PolarHBondContact O-N 2.54Å
315K98Very high95.3Very high129 Ų12951.2 Ų51.256%0.56127%0.274SS*.EExtended strand (participates in β ladder)trans-132.7126.2179.7-178.6-169.171.4176.60108.9L267 F313 F357 V359L267-K315 HydrophobicContact CD1-CD 3.53Å; L267-K315 HydrophobicContact CD1-CG 4.26Å; F313-K315 PolarHBondContact O-N 2.86Å; K315-F357 WeakPolarHBondContact CA-O 3.31Å; K315-F357 HydrophobicContact CB-CB 4.27Å; K315-F357 HydrophobicContact CG-CB 4.1Å; K315-V359 HydrophobicContact CD-CG1 4.17Å; K315-V359 HydrophobicContact CG-CG1 3.98Å; K315-V359 HydrophobicContact CG-CG2 4.41Å
316I97.7Very high94.9Very high15 Ų1551.7 Ų51.78%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-130154.117558.3173.3000110.4E320 A321 I324 L347 F351 V356 F357 V358 V359I316-E320 WeakPolarHBondContact CA-OE2 3.35Å; I316-E320 HydrophobicContact CB-CB 4.13Å; I316-A321 HydrophobicContact CD1-CB 3.65Å; I316-A321 HydrophobicContact CG1-CB 4.41Å; I316-I324 HydrophobicContact CD1-CD1 4.07Å; I316-L347 HydrophobicContact CD1-CD2 4.24Å; I316-F351 HydrophobicContact CD1-CE2 3.75Å; I316-F351 HydrophobicContact CD1-CZ 4.04Å; I316-F351 HydrophobicContact CG2-CE1 4.22Å; I316-F351 HydrophobicContact CG2-CE2 4.31Å; I316-F351 HydrophobicContact CG2-CZ 3.54Å; I316-V356 HydrophobicContact CG1-CG2 4.29Å; I316-F357 PolarHBondContact N-O 3.16Å; I316-V358 HydrophobicContact CD1-CG2 4.39Å; I316-V358 HydrophobicContact CG1-CG2 4.2Å; I316-V358 CarbonylContact O-C 3.59Å; I316-V358 VanDerWaalsContact O-CA 3.28Å; I316-V358 WeakPolarHBondContact O-CA 3.33Å; I316-V359 WeakPolarHBondContact O-CG2 3.35Å; I316-V359 PolarHBondContact O-N 3.08Å
317T96.6Very high94.4Very high41 Ų4156.7 Ų56.725%0.25229%0.289SS..EExtended strand (participates in β ladder)trans-74.7160.1168.662.20000110.8A319 E320 A321 V359T317-A319 PolarHBondContact O-N 2.81Å; T317-E320 PolarHBondContact N-OE2 3.21Å; T317-E320 PolarHBondContact O-N 3.1Å; T317-E320 WeakPolarHBondContact OG1-CB 3.41Å; T317-E320 VanDerWaalsContact OG1-CD 3.32Å; T317-E320 VanDerWaalsContact OG1-CG 3.24Å; T317-E320 WeakPolarHBondContact OG1-CG 3.33Å; T317-E320 PolarHBondContact OG1-N 3.38Å; T317-E320 VanDerWaalsContact OG1-N 3.16Å; T317-E320 PolarHBondContact OG1-OE2 3.32Å; T317-A321 PolarHBondContact O-N 2.87Å; T317-V359 CarbonylContact C-O 3.57Å; T317-V359 WeakPolarHBondContact CA-O 3.4Å; T317-V359 HydrophobicContact CG2-CG2 4.17Å
318F95.4Very high93.5Very high16 Ų1661.7 Ų61.77%0.0731%0.312CS..Hα-helixtrans-56.9-39.2172.2179.6-91.2000111.7A321 V322 M336 I339 V358 V359 Y361 P362F318-A321 WeakPolarHBondContact O-CB 3.46Å; F318-A321 PolarHBondContact O-N 3.28Å; F318-V322 HydrophobicContact CD1-CG2 3.97Å; F318-V322 HydrophobicContact CE1-CG2 3.55Å; F318-V322 HydrophobicContact CE2-CG2 4.48Å; F318-V322 HydrophobicContact CZ-CG2 3.84Å; F318-V322 WeakPolarHBondContact O-CG2 3.32Å; F318-V322 PolarHBondContact O-N 3.25Å; F318-M336 WeakPolarHBondContact CE1-O 3.14Å; F318-M336 WeakPolarHBondContact CZ-O 3.42Å; F318-I339 HydrophobicContact CD2-CD1 3.89Å; F318-I339 HydrophobicContact CD2-CG1 4.18Å; F318-I339 HydrophobicContact CE2-CD1 4Å; F318-I339 HydrophobicContact CE2-CG1 3.74Å; F318-V358 HydrophobicContact CB-CG1 4.36Å; F318-V359 PolarHBondContact N-O 3.09Å; F318-Y361 AromaticContact CD2-CD1 3.28Å; F318-Y361 HydrophobicContact CD2-CD1 3.28Å; F318-Y361 AromaticContact CD2-CE1 3.44Å; F318-Y361 HydrophobicContact CD2-CE1 3.44Å; F318-Y361 VanDerWaalsContact CD2-CE1 3.44Å; F318-Y361 AromaticContact CD2-CG 3.97Å; F318-Y361 HydrophobicContact CD2-CG 3.97Å; F318-Y361 AromaticContact CE2-CD1 3.64Å; F318-Y361 HydrophobicContact CE2-CD1 3.64Å; F318-Y361 AromaticContact CE2-CE1 3.77Å; F318-Y361 HydrophobicContact CE2-CE1 3.77Å; F318-Y361 HydrophobicContact CG-CD1 4.23Å; F318-P362 HydrophobicContact CD1-CG 3.99Å; F318-P362 HydrophobicContact CE1-CG 3.74Å; F318-P362 HydrophobicContact CZ-CG 4.16Å
319A93.2Very high92.3Very high59 Ų5963 Ų6349%0.48832%0.319SS..Hα-helixtrans-60.4-49.1176.500000111.5T317 A321 V322 E323T317-A319 PolarHBondContact O-N 2.81Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 3.04Å; A319-V322 PolarHBondContact O-N 2.98Å; A319-E323 WeakPolarHBondContact O-CG 3.36Å; A319-E323 PolarHBondContact O-N 3.45Å
320E95.4Very high90.9Very high89 Ų8961.2 Ų61.242%0.41633%0.331SS..Hα-helixtrans-62.2-38.8175.5-71.2163.7143.100111.9I316 T317 V322 E323 I324I316-E320 WeakPolarHBondContact CA-OE2 3.35Å; I316-E320 HydrophobicContact CB-CB 4.13Å; T317-E320 PolarHBondContact N-OE2 3.21Å; T317-E320 PolarHBondContact O-N 3.1Å; T317-E320 WeakPolarHBondContact OG1-CB 3.41Å; T317-E320 VanDerWaalsContact OG1-CD 3.32Å; T317-E320 VanDerWaalsContact OG1-CG 3.24Å; T317-E320 WeakPolarHBondContact OG1-CG 3.33Å; T317-E320 PolarHBondContact OG1-N 3.38Å; T317-E320 VanDerWaalsContact OG1-N 3.16Å; T317-E320 PolarHBondContact OG1-OE2 3.32Å; E320-V322 VanDerWaalsContact C-N 3.34Å; E320-V322 PolarHBondContact O-N 3.05Å; E320-E323 PolarHBondContact O-N 2.98Å; E320-I324 VanDerWaalsContact O-CG1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.28Å; E320-I324 PolarHBondContact O-N 3.49Å
321A95.3Very high89.4Confident0 Ų063.4 Ų63.40%034%0.342CS..Hα-helixtrans-60.9-43.5175.400000111.8I316 T317 F318 A319 I324 L325 I339 L347 V358I316-A321 HydrophobicContact CD1-CB 3.65Å; I316-A321 HydrophobicContact CG1-CB 4.41Å; T317-A321 PolarHBondContact O-N 2.87Å; F318-A321 WeakPolarHBondContact O-CB 3.46Å; F318-A321 PolarHBondContact O-N 3.28Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 3.04Å; A321-I324 PolarHBondContact O-N 3.14Å; A321-L325 WeakPolarHBondContact O-CD1 3.06Å; A321-L325 VanDerWaalsContact O-CG 3.24Å; A321-L325 WeakPolarHBondContact O-CG 3.42Å; A321-L325 PolarHBondContact O-N 2.81Å; A321-I339 HydrophobicContact CB-CD1 4.04Å; A321-L347 HydrophobicContact CB-CD1 3.99Å; A321-L347 HydrophobicContact CB-CD2 4.12Å; A321-V358 HydrophobicContact CB-CG1 4.13Å; A321-V358 HydrophobicContact CB-CG2 4.49Å
322V92.3Very high87.8Confident9 Ų959 Ų596%0.05533%0.33CS..Hα-helixtrans-63.8-42.7176.21670000111.3F318 A319 E320 I324 L325 Q326 M336F318-V322 HydrophobicContact CD1-CG2 3.97Å; F318-V322 HydrophobicContact CE1-CG2 3.55Å; F318-V322 HydrophobicContact CE2-CG2 4.48Å; F318-V322 HydrophobicContact CZ-CG2 3.84Å; F318-V322 WeakPolarHBondContact O-CG2 3.32Å; F318-V322 PolarHBondContact O-N 3.25Å; A319-V322 PolarHBondContact O-N 2.98Å; E320-V322 VanDerWaalsContact C-N 3.34Å; E320-V322 PolarHBondContact O-N 3.05Å; V322-I324 PolarHBondContact O-N 3.2Å; V322-L325 PolarHBondContact O-N 2.97Å; V322-Q326 VanDerWaalsContact O-CG 3.25Å; V322-Q326 WeakPolarHBondContact O-CG 3.48Å; V322-Q326 PolarHBondContact O-N 2.99Å; V322-M336 HydrophobicContact CG2-SD 4.19Å
323E92.5Very high86.1Confident92 Ų9262 Ų6243%0.4333%0.333SS..Hα-helixtrans-61.5-41.9174.9-71.6-179.3-168.500112.7A319 E320 L325 K327A319-E323 WeakPolarHBondContact O-CG 3.36Å; A319-E323 PolarHBondContact O-N 3.45Å; E320-E323 PolarHBondContact O-N 2.98Å; E323-L325 VanDerWaalsContact C-N 3.33Å; E323-K327 WeakPolarHBondContact O-CG 3.42Å; E323-K327 PolarHBondContact O-N 3.22Å
324I93.7Very high84.1Confident24 Ų2466.6 Ų66.612%0.12337%0.367CS..Hα-helixtrans-61.7-43.8176-71.2165.6000110.5I316 E320 A321 V322 K327 H328 Y346 L347 H350 F351I316-I324 HydrophobicContact CD1-CD1 4.07Å; E320-I324 VanDerWaalsContact O-CG1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.28Å; E320-I324 PolarHBondContact O-N 3.49Å; A321-I324 PolarHBondContact O-N 3.14Å; V322-I324 PolarHBondContact O-N 3.2Å; I324-K327 PolarHBondContact O-N 3.43Å; I324-H328 PolarHBondContact O-ND1 2.87Å; I324-Y346 HydrophobicContact CG2-CE1 3.96Å; I324-L347 HydrophobicContact CB-CD2 4.2Å; I324-L347 HydrophobicContact CG2-CD2 3.92Å; I324-H350 HydrophobicContact CG2-CB 4.42Å; I324-F351 HydrophobicContact CD1-CE2 4.07Å; I324-F351 HydrophobicContact CD1-CZ 3.98Å
325L91.8Very high82.4Confident0 Ų069.7 Ų69.70%039%0.385CS..Hα-helixtrans-66.2-41.7-178.8-73.2165.1000112A321 V322 E323 K327 H328 T329 M336 Y346 L347A321-L325 WeakPolarHBondContact O-CD1 3.06Å; A321-L325 VanDerWaalsContact O-CG 3.24Å; A321-L325 WeakPolarHBondContact O-CG 3.42Å; A321-L325 PolarHBondContact O-N 2.81Å; V322-L325 PolarHBondContact O-N 2.97Å; E323-L325 VanDerWaalsContact C-N 3.33Å; L325-K327 VanDerWaalsContact C-N 3.32Å; L325-K327 PolarHBondContact O-N 3.26Å; L325-H328 PolarHBondContact O-N 2.8Å; L325-H328 VanDerWaalsContact O-N 3.14Å; L325-T329 WeakPolarHBondContact O-CB 3.22Å; L325-T329 PolarHBondContact O-N 2.67Å; L325-T329 PolarHBondContact O-OG1 3Å; L325-M336 HydrophobicContact CD1-SD 4.27Å; L325-Y346 HydrophobicContact CD2-CD1 3.72Å; L325-Y346 HydrophobicContact CD2-CG 4.25Å; L325-L347 HydrophobicContact CD1-CD1 4.26Å; L325-L347 HydrophobicContact CD1-CG 4.46Å; L325-L347 HydrophobicContact CD2-CD2 4.48Å; L325-L347 HydrophobicContact CD2-CG 4.24Å; L325-L347 HydrophobicContact CG-CD2 4.16Å; L325-L347 HydrophobicContact CG-CG 4.29Å
326Q86.7Confident81.2Confident52 Ų5265.4 Ų65.424%0.24337%0.368CS..Hα-helixtrans-64.1-35.5179.4-73.6162.12.900113.4V322 H328 F333V322-Q326 VanDerWaalsContact O-CG 3.25Å; V322-Q326 WeakPolarHBondContact O-CG 3.48Å; V322-Q326 PolarHBondContact O-N 2.99Å; Q326-H328 PolarHBondContact O-N 2.83Å; Q326-H328 VanDerWaalsContact O-N 3.14Å; Q326-F333 VanDerWaalsContact NE2-CB 3.29Å
327K86Confident80.3Confident157 Ų15769.6 Ų69.668%0.68339%0.385SS*.THydrogen-bonded Turntrans-63.8-17.6177.3-72.4172.1-176.2169.70112.8E323 I324 L325E323-K327 WeakPolarHBondContact O-CG 3.42Å; E323-K327 PolarHBondContact O-N 3.22Å; I324-K327 PolarHBondContact O-N 3.43Å; L325-K327 VanDerWaalsContact C-N 3.32Å; L325-K327 PolarHBondContact O-N 3.26Å
328H78.8Confident79.6Confident104 Ų10473.4 Ų73.448%0.48140%0.4SS..THydrogen-bonded Turntrans-128.2-8.9-171.2-6094.6000114.5I324 L325 Q326 Y346I324-H328 PolarHBondContact O-ND1 2.87Å; L325-H328 PolarHBondContact O-N 2.8Å; L325-H328 VanDerWaalsContact O-N 3.14Å; Q326-H328 PolarHBondContact O-N 2.83Å; Q326-H328 VanDerWaalsContact O-N 3.14Å; H328-Y346 HydrophobicContact CB-CE1 3.84Å; H328-Y346 HydrophobicContact CB-CE2 3.91Å; H328-Y346 WeakPolarHBondContact CB-OH 3.5Å; H328-Y346 AromaticContact CD2-CZ 3.86Å; H328-Y346 PolarHBondContact CD2-OH 2.83Å; H328-Y346 PolarHBondContact CE1-OH 3.14Å; H328-Y346 VanDerWaalsContact CE1-OH 3.3Å; H328-Y346 AromaticContact CG-CE1 3.92Å; H328-Y346 AromaticContact CG-CZ 3.41Å; H328-Y346 VanDerWaalsContact CG-CZ 3.41Å; H328-Y346 AromaticContact ND1-CE1 3.86Å; H328-Y346 AromaticContact ND1-CZ 3.73Å; H328-Y346 PolarHBondContact ND1-OH 3.14Å; H328-Y346 VanDerWaalsContact ND1-OH 3.08Å; H328-Y346 PolarHBondContact NE2-OH 3.33Å
329T70.6Confident79.1Confident43 Ų4373.4 Ų73.426%0.26440%0.4SS..SBendtrans-131142.2177.966.10000108.5L325 L331L325-T329 WeakPolarHBondContact O-CB 3.22Å; L325-T329 PolarHBondContact O-N 2.67Å; L325-T329 PolarHBondContact O-OG1 3Å; T329-L331 PolarHBondContact O-N 3.34Å; T329-L331 WeakPolarHBondContact OG1-CD1 3.28Å; T329-L331 WeakPolarHBondContact OG1-CG 3.09Å
330A66.9Low78.8Confident114 Ų11472.5 Ų72.594%0.94240%0.397SS*.  trans-72.832.8177.100000113.1
331L63.1Low78.4Confident77 Ų7771 Ų7140%0.40339%0.389SS..  trans-87.3129.3-175-67.6174.8000111T329 M336T329-L331 PolarHBondContact O-N 3.34Å; T329-L331 WeakPolarHBondContact OG1-CD1 3.28Å; T329-L331 WeakPolarHBondContact OG1-CG 3.09Å; L331-M336 HydrophobicContact CB-CE 4Å; L331-M336 HydrophobicContact CD1-CE 3.7Å; L331-M336 HydrophobicContact CG-CE 4.42Å
332P59Low78Confident90 Ų9074.9 Ų74.958%0.58442%0.421SS*.  trans-65.4143.7179.1-19.931.3000114.2
333F58.9Low78Confident138 Ų13875.1 Ų75.161%0.60542%0.423SS*.G310 helixtrans-66.4-40.6-174.6-174-75.4000115.1Q326 T335Q326-F333 VanDerWaalsContact NE2-CB 3.29Å; F333-T335 PolarHBondContact O-N 3.07Å
334S55.7Low78.1Confident108 Ų10871.3 Ų71.376%0.75541%0.405SS*.G310 helixtrans-85.7-3.8-155.158.10000116.1
335T62.3Low78Confident107 Ų10776.3 Ų76.366%0.65642%0.422SS*.G310 helixtrans-127.8-0.7-171.757.70000114.2F333 K337F333-T335 PolarHBondContact O-N 3.07Å; T335-K337 PolarHBondContact O-N 3.4Å
336M73.1Confident78Confident39 Ų3978.9 Ų78.919%0.19243%0.432CS..  trans-7999.3-177.7-165.8176.3-63.700110.3F318 V322 L325 L331 H338F318-M336 WeakPolarHBondContact CE1-O 3.14Å; F318-M336 WeakPolarHBondContact CZ-O 3.42Å; V322-M336 HydrophobicContact CG2-SD 4.19Å; L325-M336 HydrophobicContact CD1-SD 4.27Å; L331-M336 HydrophobicContact CB-CE 4Å; L331-M336 HydrophobicContact CD1-CE 3.7Å; L331-M336 HydrophobicContact CG-CE 4.42Å; M336-H338 WeakPolarHBondContact CG-O 3.42Å
337K78.5Confident78.5Confident102 Ų10276.4 Ų76.444%0.44342%0.421SS..  trans-95.8-11.9170.4-56.8-173.8177.6-174.10113.2T335 D364 V365T335-K337 PolarHBondContact O-N 3.4Å; K337-D364 WeakPolarHBondContact CD-OD2 3.43Å; K337-D364 VanDerWaalsContact CE-OD2 3.31Å; K337-D364 WeakPolarHBondContact CE-OD2 3.35Å; K337-D364 IonicContact NZ-OD2 2.77Å; K337-D364 PolarHBondContact NZ-OD2 3.06Å; K337-V365 HydrophobicContact CB-CG1 3.61Å; K337-V365 HydrophobicContact CD-CG1 3.81Å; K337-V365 HydrophobicContact CG-CG1 4.33Å; K337-V365 WeakPolarHBondContact O-CG2 3.4Å
338H82.6Confident79Confident121 Ų12169.1 Ų69.156%0.5639%0.389SS*.SBendtrans-134.8144.3-176.8-64.4-82.2000111.4M336 V365M336-H338 WeakPolarHBondContact CG-O 3.42Å; H338-V365 VanDerWaalsContact CE1-CB 3.46Å; H338-V365 WeakPolarHBondContact CE1-CB 3.49Å
339I85.1Confident79.7Confident16 Ų1669.7 Ų69.78%0.08239%0.393CS..  trans-95.2110.5171.3-62.9171.1000107.3F318 A321 E344 L347 V358 Y361F318-I339 HydrophobicContact CD2-CD1 3.89Å; F318-I339 HydrophobicContact CD2-CG1 4.18Å; F318-I339 HydrophobicContact CE2-CD1 4Å; F318-I339 HydrophobicContact CE2-CG1 3.74Å; A321-I339 HydrophobicContact CB-CD1 4.04Å; I339-E344 HydrophobicContact CG2-CG 3.77Å; I339-L347 HydrophobicContact CD1-CD1 4.05Å; I339-L347 HydrophobicContact CG2-CD1 4.05Å; I339-V358 HydrophobicContact CD1-CG1 3.99Å; I339-Y361 HydrophobicContact CD1-CE1 4.14Å
340G86.6Confident80.9Confident40 Ų4071.9 Ų71.941%0.41240%0.4SS..  trans-75.7166.7176.500000112.9A342 S343 E344G340-A342 VanDerWaalsContact C-N 3.29Å; G340-A342 PolarHBondContact O-N 3.43Å; G340-A342 VanDerWaalsContact O-N 3.15Å; G340-S343 CarbonylContact O-C 3.59Å; G340-S343 WeakPolarHBondContact O-CA 3.43Å; G340-S343 WeakPolarHBondContact O-CB 3.43Å; G340-S343 PolarHBondContact O-N 3.5Å; G340-E344 PolarHBondContact O-N 3.1Å
341K86.6Confident82.2Confident59 Ų5968.7 Ų68.726%0.25737%0.365SS..Hα-helixtrans-56-34.6-176.5-68.4-59.8175.7-140.90115.4Q245 E344 R345Q245-K341 VanDerWaalsContact OE1-CD 3.26Å; Q245-K341 VanDerWaalsContact OE1-CE 3.32Å; K341-E344 WeakPolarHBondContact CD-OE2 3.35Å; K341-E344 IonicContact NZ-OE1 3.7Å; K341-E344 PolarHBondContact NZ-OE1 2.88Å; K341-E344 IonicContact NZ-OE2 3.61Å; K341-E344 PolarHBondContact NZ-OE2 2.92Å; K341-R345 VanDerWaalsContact O-CG 3.31Å; K341-R345 WeakPolarHBondContact O-CG 3.31Å; K341-R345 PolarHBondContact O-N 3.11Å; K341-R345 VanDerWaalsContact O-N 3.15Å
342A87.9Confident83.8Confident80 Ų8067.3 Ų67.366%0.66137%0.368SS*.Hα-helixtrans-65.7-42.4175.300000111.3G340 R345 Y346G340-A342 VanDerWaalsContact C-N 3.29Å; G340-A342 PolarHBondContact O-N 3.43Å; G340-A342 VanDerWaalsContact O-N 3.15Å; A342-R345 PolarHBondContact O-N 3.37Å; A342-Y346 PolarHBondContact O-N 2.97Å
343S91.4Very high85.4Confident14 Ų1466.8 Ų66.810%0.09836%0.361CS..Hα-helixtrans-67.6-41176.4-55.70000112.3G340 R345 Y346 L347G340-S343 CarbonylContact O-C 3.59Å; G340-S343 WeakPolarHBondContact O-CA 3.43Å; G340-S343 WeakPolarHBondContact O-CB 3.43Å; G340-S343 PolarHBondContact O-N 3.5Å; S343-R345 VanDerWaalsContact C-N 3.32Å; S343-R345 PolarHBondContact O-N 3.23Å; S343-Y346 WeakPolarHBondContact O-CB 3.33Å; S343-Y346 PolarHBondContact O-N 2.85Å; S343-L347 WeakPolarHBondContact O-CG 3.41Å; S343-L347 PolarHBondContact O-N 3.32Å
344E94.1Very high87.1Confident13 Ų1363.8 Ų63.86%0.06135%0.347CS..Hα-helixtrans-56.7-46.7173.6-68.7176.6-152.900111.2I339 G340 K341 Y346 L347 V348 L385 G390 E391I339-E344 HydrophobicContact CG2-CG 3.77Å; G340-E344 PolarHBondContact O-N 3.1Å; K341-E344 WeakPolarHBondContact CD-OE2 3.35Å; K341-E344 IonicContact NZ-OE1 3.7Å; K341-E344 PolarHBondContact NZ-OE1 2.88Å; K341-E344 IonicContact NZ-OE2 3.61Å; K341-E344 PolarHBondContact NZ-OE2 2.92Å; E344-Y346 VanDerWaalsContact C-N 3.33Å; E344-Y346 PolarHBondContact O-N 2.81Å; E344-L347 PolarHBondContact O-N 2.67Å; E344-V348 WeakPolarHBondContact O-CG2 3.41Å; E344-V348 PolarHBondContact O-N 3.04Å; E344-V348 VanDerWaalsContact O-N 3.09Å; E344-L385 HydrophobicContact CB-CD1 4.19Å; E344-L385 HydrophobicContact CB-CD2 4.27Å; E344-L385 HydrophobicContact CG-CD1 4.22Å; E344-L385 HydrophobicContact CG-CD2 3.85Å; E344-G390 WeakPolarHBondContact OE2-CA 3.44Å; E344-E391 PolarHBondContact OE2-N 2.91Å
345R91.8Very high89.2Confident129 Ų12958.6 Ų58.649%0.48731%0.311SS..Hα-helixtrans-61.7-42.1177.8-72.4173.8-172.8170.75.4111.8K341 A342 S343 V348 Q349K341-R345 VanDerWaalsContact O-CG 3.31Å; K341-R345 WeakPolarHBondContact O-CG 3.31Å; K341-R345 PolarHBondContact O-N 3.11Å; K341-R345 VanDerWaalsContact O-N 3.15Å; A342-R345 PolarHBondContact O-N 3.37Å; S343-R345 VanDerWaalsContact C-N 3.32Å; S343-R345 PolarHBondContact O-N 3.23Å; R345-V348 PolarHBondContact O-N 2.82Å; R345-Q349 WeakPolarHBondContact O-CG 3.41Å; R345-Q349 PolarHBondContact O-N 3.34Å
346Y93.4Very high90.9Very high53 Ų5353.5 Ų53.521%0.20828%0.28CS..Hα-helixtrans-62.1-46.5178.1-177.5-92.9000111.7I324 L325 H328 A342 S343 E344 V348 Q349 H350I324-Y346 HydrophobicContact CG2-CE1 3.96Å; L325-Y346 HydrophobicContact CD2-CD1 3.72Å; L325-Y346 HydrophobicContact CD2-CG 4.25Å; H328-Y346 HydrophobicContact CB-CE1 3.84Å; H328-Y346 HydrophobicContact CB-CE2 3.91Å; H328-Y346 WeakPolarHBondContact CB-OH 3.5Å; H328-Y346 AromaticContact CD2-CZ 3.86Å; H328-Y346 PolarHBondContact CD2-OH 2.83Å; H328-Y346 PolarHBondContact CE1-OH 3.14Å; H328-Y346 VanDerWaalsContact CE1-OH 3.3Å; H328-Y346 AromaticContact CG-CE1 3.92Å; H328-Y346 AromaticContact CG-CZ 3.41Å; H328-Y346 VanDerWaalsContact CG-CZ 3.41Å; H328-Y346 AromaticContact ND1-CE1 3.86Å; H328-Y346 AromaticContact ND1-CZ 3.73Å; H328-Y346 PolarHBondContact ND1-OH 3.14Å; H328-Y346 VanDerWaalsContact ND1-OH 3.08Å; H328-Y346 PolarHBondContact NE2-OH 3.33Å; A342-Y346 PolarHBondContact O-N 2.97Å; S343-Y346 WeakPolarHBondContact O-CB 3.33Å; S343-Y346 PolarHBondContact O-N 2.85Å; E344-Y346 VanDerWaalsContact C-N 3.33Å; E344-Y346 PolarHBondContact O-N 2.81Å; Y346-V348 PolarHBondContact O-N 2.92Å; Y346-Q349 WeakPolarHBondContact O-CB 3.24Å; Y346-Q349 PolarHBondContact O-N 3.24Å; Y346-Q349 VanDerWaalsContact O-N 3.17Å; Y346-H350 HydrophobicContact CE1-CB 4.38Å; Y346-H350 WeakPolarHBondContact O-CB 3.34Å; Y346-H350 PolarHBondContact O-N 3.2Å
347L95.8Very high92.1Very high0 Ų051.7 Ų51.70%027%0.271CS..Hα-helixtrans-58.4-47.5177.5-70.4169000111.1I316 A321 I324 L325 I339 S343 E344 Q349 H350 F351 V358 L385I316-L347 HydrophobicContact CD1-CD2 4.24Å; A321-L347 HydrophobicContact CB-CD1 3.99Å; A321-L347 HydrophobicContact CB-CD2 4.12Å; I324-L347 HydrophobicContact CB-CD2 4.2Å; I324-L347 HydrophobicContact CG2-CD2 3.92Å; L325-L347 HydrophobicContact CD1-CD1 4.26Å; L325-L347 HydrophobicContact CD1-CG 4.46Å; L325-L347 HydrophobicContact CD2-CD2 4.48Å; L325-L347 HydrophobicContact CD2-CG 4.24Å; L325-L347 HydrophobicContact CG-CD2 4.16Å; L325-L347 HydrophobicContact CG-CG 4.29Å; I339-L347 HydrophobicContact CD1-CD1 4.05Å; I339-L347 HydrophobicContact CG2-CD1 4.05Å; S343-L347 WeakPolarHBondContact O-CG 3.41Å; S343-L347 PolarHBondContact O-N 3.32Å; E344-L347 PolarHBondContact O-N 2.67Å; L347-Q349 VanDerWaalsContact C-N 3.3Å; L347-Q349 PolarHBondContact O-N 3.17Å; L347-H350 WeakPolarHBondContact O-CB 3.5Å; L347-H350 PolarHBondContact O-N 3.13Å; L347-H350 VanDerWaalsContact O-N 3.11Å; L347-F351 VanDerWaalsContact O-CD2 3.24Å; L347-F351 WeakPolarHBondContact O-CD2 3.45Å; L347-F351 PolarHBondContact O-N 3.33Å; L347-F351 VanDerWaalsContact O-N 3.1Å; L347-V358 HydrophobicContact CD1-CG2 4.39Å; L347-L385 HydrophobicContact CB-CD1 4.22Å; L347-L385 HydrophobicContact CD1-CD1 3.94Å
348V96.2Very high93Very high4 Ų446.9 Ų46.92%0.02425%0.25CS..Hα-helixtrans-59.8-40.1177.1171.80000112.3E344 R345 Y346 F351 N353 V356 L385 P387E344-V348 WeakPolarHBondContact O-CG2 3.41Å; E344-V348 PolarHBondContact O-N 3.04Å; E344-V348 VanDerWaalsContact O-N 3.09Å; R345-V348 PolarHBondContact O-N 2.82Å; Y346-V348 PolarHBondContact O-N 2.92Å; V348-F351 PolarHBondContact O-N 2.7Å; V348-N353 WeakPolarHBondContact O-CA 3.44Å; V348-N353 PolarHBondContact O-N 2.9Å; V348-V356 HydrophobicContact CG2-CG1 4.18Å; V348-L385 HydrophobicContact CG2-CB 3.62Å; V348-P387 HydrophobicContact CG1-CB 4.25Å; V348-P387 HydrophobicContact CG1-CG 3.71Å
349Q95Very high93.8Very high117 Ų11741.4 Ų41.455%0.54723%0.225SC..Hα-helixtrans-63.9-42.2174.9-73.7172.7-12.600111.7R345 Y346 L347 F351 G352 N353R345-Q349 WeakPolarHBondContact O-CG 3.41Å; R345-Q349 PolarHBondContact O-N 3.34Å; Y346-Q349 WeakPolarHBondContact O-CB 3.24Å; Y346-Q349 PolarHBondContact O-N 3.24Å; Y346-Q349 VanDerWaalsContact O-N 3.17Å; L347-Q349 VanDerWaalsContact C-N 3.3Å; L347-Q349 PolarHBondContact O-N 3.17Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 PolarHBondContact O-N 3.11Å; Q349-G352 PolarHBondContact O-N 3.49Å; Q349-N353 WeakPolarHBondContact CG-OD1 3.33Å
350H94.7Very high94.3Very high89 Ų8943 Ų4341%0.41223%0.234SC..Hα-helixtrans-58.2-38.3177.5-173.881.1000112.1I324 Y346 L347 G352I324-H350 HydrophobicContact CG2-CB 4.42Å; Y346-H350 HydrophobicContact CE1-CB 4.38Å; Y346-H350 WeakPolarHBondContact O-CB 3.34Å; Y346-H350 PolarHBondContact O-N 3.2Å; L347-H350 WeakPolarHBondContact O-CB 3.5Å; L347-H350 PolarHBondContact O-N 3.13Å; L347-H350 VanDerWaalsContact O-N 3.11Å; H350-G352 PolarHBondContact O-N 3.09Å
351F95.6Very high94.7Very high47 Ų4741.6 Ų41.621%0.20622%0.217CC..THydrogen-bonded Turntrans-86.922.5175.5-69.7-80.8000114.1P314 I316 I324 L347 V348 Q349 V356P314-F351 HydrophobicContact CB-CD1 3.53Å; P314-F351 HydrophobicContact CB-CE1 3.95Å; P314-F351 HydrophobicContact CB-CG 4.18Å; P314-F351 HydrophobicContact CG-CB 4.47Å; P314-F351 HydrophobicContact CG-CD1 3.96Å; I316-F351 HydrophobicContact CD1-CE2 3.75Å; I316-F351 HydrophobicContact CD1-CZ 4.04Å; I316-F351 HydrophobicContact CG2-CE1 4.22Å; I316-F351 HydrophobicContact CG2-CE2 4.31Å; I316-F351 HydrophobicContact CG2-CZ 3.54Å; I324-F351 HydrophobicContact CD1-CE2 4.07Å; I324-F351 HydrophobicContact CD1-CZ 3.98Å; L347-F351 VanDerWaalsContact O-CD2 3.24Å; L347-F351 WeakPolarHBondContact O-CD2 3.45Å; L347-F351 PolarHBondContact O-N 3.33Å; L347-F351 VanDerWaalsContact O-N 3.1Å; V348-F351 PolarHBondContact O-N 2.7Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 PolarHBondContact O-N 3.11Å; F351-V356 HydrophobicContact CB-CB 4.32Å; F351-V356 HydrophobicContact CD1-CG2 4.49Å; F351-V356 HydrophobicContact CD2-CB 4.07Å; F351-V356 HydrophobicContact CD2-CG1 4.14Å; F351-V356 HydrophobicContact CD2-CG2 3.69Å; F351-V356 HydrophobicContact CE2-CG2 3.94Å; F351-V356 HydrophobicContact CG-CB 4.2Å; F351-V356 HydrophobicContact CG-CG2 4.02Å; F351-V356 HydrophobicContact CZ-CG2 4.43Å
352G94.6Very high95Very high47 Ų4740 Ų4049%0.48521%0.212SC..THydrogen-bonded Turntrans79.229.5171.500000114.8Q349 H350 K354Q349-G352 PolarHBondContact O-N 3.49Å; H350-G352 PolarHBondContact O-N 3.09Å; G352-K354 VanDerWaalsContact C-N 3.35Å; G352-K354 PolarHBondContact O-N 2.78Å
353N94.7Very high95.2Very high80 Ų8036.9 Ų36.943%0.42819%0.186SC..SBendtrans56.945.1-175.7-62.2-63000112.8L303 V348 Q349 P387L303-N353 VanDerWaalsContact CD1-O 3.28Å; L303-N353 WeakPolarHBondContact CD1-O 3.34Å; V348-N353 WeakPolarHBondContact O-CA 3.44Å; V348-N353 PolarHBondContact O-N 2.9Å; Q349-N353 WeakPolarHBondContact CG-OD1 3.33Å; N353-P387 VanDerWaalsContact C-CG 3.45Å; N353-P387 HydrophobicContact CB-CG 4.4Å; N353-P387 WeakPolarHBondContact O-CG 3.25Å
354K94.5Very high95.1Very high74 Ų7440.5 Ų40.532%0.32220%0.204SC..SBendtrans-123.3162.8176.1-61.9-179.4-170.1-175.40110.1T306 M310 G352T306-K354 HydrophobicContact CG2-CD 4.28Å; M310-K354 HydrophobicContact CE-CB 4.39Å; M310-K354 HydrophobicContact CE-CD 4.12Å; M310-K354 HydrophobicContact SD-CD 4.13Å; G352-K354 VanDerWaalsContact C-N 3.35Å; G352-K354 PolarHBondContact O-N 2.78Å
355P98Very high94.8Very high0 Ų041.7 Ų41.70%021%0.212CC..  trans-55.1139.8171.9-2535.5000111.9I307 F313 P314 L384 L385 V386 F445I307-P355 HydrophobicContact CD1-CG 4.44Å; I307-P355 HydrophobicContact CG1-CG 4.35Å; F313-P355 HydrophobicContact CD1-CB 4.25Å; F313-P355 HydrophobicContact CD2-CB 3.56Å; F313-P355 HydrophobicContact CD2-CG 4.4Å; F313-P355 HydrophobicContact CE1-CB 4.38Å; F313-P355 HydrophobicContact CE1-CG 4.3Å; F313-P355 HydrophobicContact CE2-CB 3.72Å; F313-P355 HydrophobicContact CE2-CG 4.13Å; F313-P355 HydrophobicContact CG-CB 3.86Å; F313-P355 HydrophobicContact CZ-CB 4.14Å; F313-P355 HydrophobicContact CZ-CG 4.09Å; P314-P355 WeakPolarHBondContact CD-O 3.45Å; P355-L384 HydrophobicContact CB-CD1 3.9Å; P355-L385 CarbonylContact C-O 3.52Å; P355-L385 VanDerWaalsContact CA-O 3.28Å; P355-L385 WeakPolarHBondContact CA-O 3.41Å; P355-V386 HydrophobicContact CB-CG1 4.08Å; P355-V386 HydrophobicContact CG-CG1 4.23Å; P355-F445 HydrophobicContact CG-CE1 4.41Å; P355-F445 HydrophobicContact CG-CZ 3.91Å
356V98.4Very high94.8Very high0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-141.1132.5175.5550000110.2P314 I316 V348 F351 L385P314-V356 HydrophobicContact CB-CB 4.4Å; P314-V356 HydrophobicContact CB-CG2 4.08Å; P314-V356 CarbonylContact O-C 3.6Å; P314-V356 WeakPolarHBondContact O-CA 3.24Å; P314-V356 WeakPolarHBondContact O-CG2 3.24Å; I316-V356 HydrophobicContact CG1-CG2 4.29Å; V348-V356 HydrophobicContact CG2-CG1 4.18Å; F351-V356 HydrophobicContact CB-CB 4.32Å; F351-V356 HydrophobicContact CD1-CG2 4.49Å; F351-V356 HydrophobicContact CD2-CB 4.07Å; F351-V356 HydrophobicContact CD2-CG1 4.14Å; F351-V356 HydrophobicContact CD2-CG2 3.69Å; F351-V356 HydrophobicContact CE2-CG2 3.94Å; F351-V356 HydrophobicContact CG-CB 4.2Å; F351-V356 HydrophobicContact CG-CG2 4.02Å; F351-V356 HydrophobicContact CZ-CG2 4.43Å; V356-L385 HydrophobicContact CG1-CB 4.03Å; V356-L385 PolarHBondContact N-O 3.17Å; V356-L385 PolarHBondContact O-N 2.58Å
357F98.7Very high94.7Very high1 Ų136 Ų360%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-84134.3171.5-71.7-73.6000111.1L267 V270 E271 F313 P314 K315 I316 V359 F382 L384L267-F357 HydrophobicContact CB-CE1 4.49Å; L267-F357 HydrophobicContact CB-CE2 4.15Å; L267-F357 HydrophobicContact CB-CZ 4.11Å; L267-F357 HydrophobicContact CD2-CD1 3.61Å; L267-F357 HydrophobicContact CD2-CD2 4.46Å; L267-F357 HydrophobicContact CD2-CE1 3.67Å; L267-F357 HydrophobicContact CD2-CG 4.01Å; L267-F357 HydrophobicContact CD2-CZ 4.15Å; V270-F357 HydrophobicContact CB-CE1 4.35Å; V270-F357 HydrophobicContact CB-CZ 4.12Å; V270-F357 HydrophobicContact CG1-CE1 4.1Å; V270-F357 HydrophobicContact CG1-CZ 4.03Å; E271-F357 HydrophobicContact CG-CE2 3.54Å; E271-F357 HydrophobicContact CG-CZ 3.93Å; F313-F357 HydrophobicContact CB-CD2 4.03Å; F313-F357 HydrophobicContact CB-CE2 4Å; F313-F357 HydrophobicContact CD2-CD2 4.48Å; F313-F357 AromaticContact CD2-CE2 3.8Å; F313-F357 HydrophobicContact CD2-CE2 3.8Å; F313-F357 HydrophobicContact CD2-CZ 4.29Å; F313-F357 HydrophobicContact CG-CE2 4.34Å; P314-F357 PolarHBondContact O-N 2.54Å; K315-F357 WeakPolarHBondContact CA-O 3.31Å; K315-F357 HydrophobicContact CB-CB 4.27Å; K315-F357 HydrophobicContact CG-CB 4.1Å; I316-F357 PolarHBondContact N-O 3.16Å; F357-V359 HydrophobicContact CB-CG1 4.5Å; F357-F382 HydrophobicContact CD1-CB 4.41Å; F357-F382 AromaticContact CD1-CD2 3.67Å; F357-F382 HydrophobicContact CD1-CD2 3.67Å; F357-F382 HydrophobicContact CD1-CE2 4.34Å; F357-F382 HydrophobicContact CD1-CG 4.3Å; F357-F382 AromaticContact CE1-CD2 3.65Å; F357-F382 HydrophobicContact CE1-CD2 3.65Å; F357-F382 AromaticContact CE1-CE2 3.85Å; F357-F382 HydrophobicContact CE1-CE2 3.85Å; F357-F382 HydrophobicContact CE1-CG 4.49Å; F357-L384 HydrophobicContact CD1-CB 3.89Å; F357-L384 HydrophobicContact CD1-CD1 3.82Å; F357-L384 HydrophobicContact CD1-CG 4.43Å; F357-L384 HydrophobicContact CD2-CD1 4.2Å; F357-L384 HydrophobicContact CE1-CB 3.72Å; F357-L384 HydrophobicContact CE1-CD1 3.77Å; F357-L384 HydrophobicContact CE1-CD2 4.39Å; F357-L384 HydrophobicContact CE1-CG 4.15Å; F357-L384 HydrophobicContact CE2-CD1 4.12Å; F357-L384 HydrophobicContact CG-CD1 4.06Å; F357-L384 HydrophobicContact CZ-CD1 3.92Å; F357-L384 HydrophobicContact CZ-CD2 4.45Å
358V98.2Very high94.5Very high0 Ų036.6 Ų36.60%020%0.197CC..EExtended strand (participates in β ladder)trans-108.4123.8162.6-175.40000107.8I316 F318 A321 I339 L347 Y361 F382 D383 L385I316-V358 HydrophobicContact CD1-CG2 4.39Å; I316-V358 HydrophobicContact CG1-CG2 4.2Å; I316-V358 CarbonylContact O-C 3.59Å; I316-V358 VanDerWaalsContact O-CA 3.28Å; I316-V358 WeakPolarHBondContact O-CA 3.33Å; F318-V358 HydrophobicContact CB-CG1 4.36Å; A321-V358 HydrophobicContact CB-CG1 4.13Å; A321-V358 HydrophobicContact CB-CG2 4.49Å; I339-V358 HydrophobicContact CD1-CG1 3.99Å; L347-V358 HydrophobicContact CD1-CG2 4.39Å; V358-Y361 HydrophobicContact CB-CE2 4.02Å; V358-Y361 WeakPolarHBondContact CB-OH 3.43Å; V358-Y361 HydrophobicContact CG1-CE1 4.47Å; V358-Y361 HydrophobicContact CG1-CE2 3.76Å; V358-Y361 WeakPolarHBondContact CG1-OH 3.37Å; V358-Y361 WeakPolarHBondContact O-CE2 3.41Å; V358-F382 CarbonylContact O-C 3.58Å; V358-F382 VanDerWaalsContact O-CA 3.24Å; V358-F382 WeakPolarHBondContact O-CA 3.43Å; V358-D383 PolarHBondContact N-O 2.91Å; V358-D383 PolarHBondContact O-N 2.96Å; V358-L385 HydrophobicContact CG2-CD1 3.77Å; V358-L385 HydrophobicContact CG2-CG 4.24Å
359V97.6Very high94.5Very high7 Ų737 Ų374%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-116.1168.2-178.2-56.90000112.3L263 L267 K315 I316 T317 F318 F357 C381 F382L263-V359 HydrophobicContact CD2-CB 4.04Å; L263-V359 HydrophobicContact CD2-CG1 3.91Å; L267-V359 HydrophobicContact CD1-CG1 4.26Å; K315-V359 HydrophobicContact CD-CG1 4.17Å; K315-V359 HydrophobicContact CG-CG1 3.98Å; K315-V359 HydrophobicContact CG-CG2 4.41Å; I316-V359 WeakPolarHBondContact O-CG2 3.35Å; I316-V359 PolarHBondContact O-N 3.08Å; T317-V359 CarbonylContact C-O 3.57Å; T317-V359 WeakPolarHBondContact CA-O 3.4Å; T317-V359 HydrophobicContact CG2-CG2 4.17Å; F318-V359 PolarHBondContact N-O 3.09Å; F357-V359 HydrophobicContact CB-CG1 4.5Å; V359-C381 WeakPolarHBondContact CA-O 3.49Å; V359-F382 HydrophobicContact CG1-CB 3.87Å
360D95.6Very high94.5Very high50 Ų5032 Ų3227%0.26718%0.175SC..  trans60.450.1168.9-58.7-32000114.3T378 A379 C381D360-T378 HydrophobicContact CB-CG2 4.13Å; D360-T378 VanDerWaalsContact O-CG2 3.23Å; D360-T378 WeakPolarHBondContact O-CG2 3.43Å; D360-A379 WeakPolarHBondContact CA-O 3.47Å; D360-C381 PolarHBondContact N-O 3.15Å; D360-C381 VanDerWaalsContact N-O 3.13Å
361Y95.5Very high94.6Very high10 Ų1030.6 Ų30.64%0.03917%0.167CC..  trans-64.6155174.7-75.4-102000112F318 I339 V358 S363 K366 T378 A379 D383F318-Y361 AromaticContact CD2-CD1 3.28Å; F318-Y361 HydrophobicContact CD2-CD1 3.28Å; F318-Y361 AromaticContact CD2-CE1 3.44Å; F318-Y361 HydrophobicContact CD2-CE1 3.44Å; F318-Y361 VanDerWaalsContact CD2-CE1 3.44Å; F318-Y361 AromaticContact CD2-CG 3.97Å; F318-Y361 HydrophobicContact CD2-CG 3.97Å; F318-Y361 AromaticContact CE2-CD1 3.64Å; F318-Y361 HydrophobicContact CE2-CD1 3.64Å; F318-Y361 AromaticContact CE2-CE1 3.77Å; F318-Y361 HydrophobicContact CE2-CE1 3.77Å; F318-Y361 HydrophobicContact CG-CD1 4.23Å; I339-Y361 HydrophobicContact CD1-CE1 4.14Å; V358-Y361 HydrophobicContact CB-CE2 4.02Å; V358-Y361 WeakPolarHBondContact CB-OH 3.43Å; V358-Y361 HydrophobicContact CG1-CE1 4.47Å; V358-Y361 HydrophobicContact CG1-CE2 3.76Å; V358-Y361 WeakPolarHBondContact CG1-OH 3.37Å; V358-Y361 WeakPolarHBondContact O-CE2 3.41Å; Y361-S363 PolarHBondContact O-N 2.87Å; Y361-K366 VanDerWaalsContact CB-CE 3.46Å; Y361-T378 CarbonylContact O-C 3.59Å; Y361-T378 VanDerWaalsContact O-CA 3.22Å; Y361-T378 WeakPolarHBondContact O-CA 3.28Å; Y361-T378 WeakPolarHBondContact O-CB 3.4Å; Y361-A379 PolarHBondContact O-N 3.47Å; Y361-D383 HydrophobicContact CE2-CB 4.06Å; Y361-D383 WeakPolarHBondContact CE2-OD2 3.18Å; Y361-D383 PolarHBondContact OH-OD2 3.4Å
362P93.8Very high94.6Very high24 Ų2430.9 Ų30.916%0.15617%0.167CC..BIsolated β-bridgetrans-52135172.8-24.833.9000111.8F318 D364 V365F318-P362 HydrophobicContact CD1-CG 3.99Å; F318-P362 HydrophobicContact CE1-CG 3.74Å; F318-P362 HydrophobicContact CZ-CG 4.16Å; P362-D364 VanDerWaalsContact C-N 3.31Å; P362-D364 VanDerWaalsContact CB-OD1 3.28Å; P362-D364 WeakPolarHBondContact CB-OD1 3.34Å; P362-D364 PolarHBondContact O-N 3.13Å; P362-V365 HydrophobicContact CB-CG2 4.2Å; P362-V365 WeakPolarHBondContact O-CG2 3.47Å
363S92Very high94.4Very high16 Ų1630.1 Ų30.111%0.11216%0.155CC..G310 helixtrans-64.9-34.8-172.166.80000113Y361 V365 K366 R372 N377Y361-S363 PolarHBondContact O-N 2.87Å; S363-V365 PolarHBondContact O-N 3.27Å; S363-K366 PolarHBondContact O-N 3.33Å; S363-R372 PolarHBondContact O-NH1 2.89Å; S363-R372 PolarHBondContact O-NH2 2.9Å; S363-R372 VanDerWaalsContact O-NH2 3.12Å; S363-N377 WeakPolarHBondContact CB-O 3.4Å; S363-N377 PolarHBondContact N-O 2.96Å; S363-N377 PolarHBondContact OG-O 3.36Å; S363-N377 PolarHBondContact OG-OD1 2.86Å
364D88.5Confident93.6Very high90 Ų9037.7 Ų37.748%0.48118%0.177SC..G310 helixtrans-70-15.1-172.761.2-37.1000114.6K337 P362K337-D364 WeakPolarHBondContact CD-OD2 3.43Å; K337-D364 VanDerWaalsContact CE-OD2 3.31Å; K337-D364 WeakPolarHBondContact CE-OD2 3.35Å; K337-D364 IonicContact NZ-OD2 2.77Å; K337-D364 PolarHBondContact NZ-OD2 3.06Å; P362-D364 VanDerWaalsContact C-N 3.31Å; P362-D364 VanDerWaalsContact CB-OD1 3.28Å; P362-D364 WeakPolarHBondContact CB-OD1 3.34Å; P362-D364 PolarHBondContact O-N 3.13Å
365V87.5Confident93Very high37 Ų3742.4 Ų42.422%0.22420%0.2CC..G310 helixtrans-110.71.9-179-60.20000114.5K337 H338 P362 S363K337-V365 HydrophobicContact CB-CG1 3.61Å; K337-V365 HydrophobicContact CD-CG1 3.81Å; K337-V365 HydrophobicContact CG-CG1 4.33Å; K337-V365 WeakPolarHBondContact O-CG2 3.4Å; H338-V365 VanDerWaalsContact CE1-CB 3.46Å; H338-V365 WeakPolarHBondContact CE1-CB 3.49Å; P362-V365 HydrophobicContact CB-CG2 4.2Å; P362-V365 WeakPolarHBondContact O-CG2 3.47Å; S363-V365 PolarHBondContact O-N 3.27Å
366K91.5Very high92.1Very high36 Ų3647.1 Ų47.116%0.15723%0.225CC..SBendtrans-109.2149.4-178.8-74.9-69.6-174.7176.20110.3Y361 S363 M370 R372 A379 D383Y361-K366 VanDerWaalsContact CB-CE 3.46Å; S363-K366 PolarHBondContact O-N 3.33Å; K366-M370 HydrophobicContact CB-SD 3.71Å; K366-M370 HydrophobicContact CD-CE 4.35Å; K366-M370 HydrophobicContact CD-SD 4.12Å; K366-M370 HydrophobicContact CG-SD 4.17Å; K366-R372 PolarHBondContact O-NH1 2.75Å; K366-R372 PolarHBondContact O-NH2 2.86Å; K366-A379 HydrophobicContact CB-CB 3.95Å; K366-A379 HydrophobicContact CG-CB 4.16Å; K366-D383 VanDerWaalsContact NZ-CG 3.31Å; K366-D383 IonicContact NZ-OD1 2.86Å; K366-D383 PolarHBondContact NZ-OD1 2.9Å; K366-D383 IonicContact NZ-OD2 2.58Å; K366-D383 PolarHBondContact NZ-OD2 2.69Å
367P92.4Very high91.8Very high27 Ų2752.2 Ų52.218%0.17525%0.253CS..  trans-51.3153.1-174.7-30.835.1000115.9Y369 M370 R372P367-Y369 HydrophobicContact CB-CD1 3.74Å; P367-Y369 HydrophobicContact CB-CD2 4.37Å; P367-Y369 HydrophobicContact CB-CE1 3.25Å; P367-Y369 HydrophobicContact CB-CE2 3.96Å; P367-Y369 HydrophobicContact CB-CG 4.28Å; P367-Y369 HydrophobicContact CG-CE1 3.99Å; P367-Y369 HydrophobicContact CG-CE2 4.46Å; P367-Y369 PolarHBondContact O-N 2.85Å; P367-Y369 VanDerWaalsContact O-N 3.16Å; P367-M370 HydrophobicContact CB-CG 4.46Å; P367-M370 HydrophobicContact CG-CE 4.13Å; P367-M370 PolarHBondContact O-N 3.18Å; P367-M370 VanDerWaalsContact O-N 3.15Å; P367-R372 PolarHBondContact O-NH2 3.29Å; P367-R372 VanDerWaalsContact O-NH2 3.09Å
368F92.6Very high91.6Very high13 Ų1353 Ų536%0.05726%0.258CS..THydrogen-bonded Turntrans-60.8-27.2-173.276.3-84.8000114.4C170 M370 I405 R408 V409 M412 L418 Y421C170-F368 WeakPolarHBondContact O-CE1 3.24Å; F368-M370 VanDerWaalsContact C-N 3.29Å; F368-M370 PolarHBondContact O-N 3.28Å; F368-I405 HydrophobicContact CD2-CD1 3.59Å; F368-I405 HydrophobicContact CE2-CD1 3.77Å; F368-R408 HydrophobicContact CB-CB 4.21Å; F368-R408 HydrophobicContact CD2-CB 4.46Å; F368-R408 WeakPolarHBondContact O-CD 3.38Å; F368-R408 PolarHBondContact O-NH1 3.33Å; F368-V409 HydrophobicContact CD2-CG2 4.09Å; F368-V409 HydrophobicContact CE2-CG2 3.69Å; F368-M412 HydrophobicContact CB-CE 4.3Å; F368-M412 HydrophobicContact CB-SD 3.59Å; F368-M412 VanDerWaalsContact CB-SD 3.59Å; F368-M412 HydrophobicContact CD1-CE 3.76Å; F368-M412 HydrophobicContact CD1-SD 3.71Å; F368-M412 HydrophobicContact CD2-SD 4.36Å; F368-M412 HydrophobicContact CE1-CE 4.5Å; F368-M412 HydrophobicContact CG-CE 4.25Å; F368-M412 HydrophobicContact CG-SD 3.62Å; F368-L418 HydrophobicContact CE1-CD1 4.41Å; F368-L418 HydrophobicContact CE2-CD1 4.46Å; F368-L418 HydrophobicContact CZ-CD1 3.84Å; F368-Y421 HydrophobicContact CE2-CD1 4.26Å; F368-Y421 AromaticContact CE2-CE1 3.94Å; F368-Y421 HydrophobicContact CE2-CE1 3.94Å; F368-Y421 HydrophobicContact CZ-CE1 4.28Å
369Y94.5Very high91.5Very high13 Ų1353 Ų535%0.05126%0.258CS..THydrogen-bonded Turntrans-77-11-178.654.9-107.5000113.8L217 P367 R398 E399 Y421L217-Y369 HydrophobicContact CD2-CD1 4.38Å; P367-Y369 HydrophobicContact CB-CD1 3.74Å; P367-Y369 HydrophobicContact CB-CD2 4.37Å; P367-Y369 HydrophobicContact CB-CE1 3.25Å; P367-Y369 HydrophobicContact CB-CE2 3.96Å; P367-Y369 HydrophobicContact CB-CG 4.28Å; P367-Y369 HydrophobicContact CG-CE1 3.99Å; P367-Y369 HydrophobicContact CG-CE2 4.46Å; P367-Y369 PolarHBondContact O-N 2.85Å; P367-Y369 VanDerWaalsContact O-N 3.16Å; Y369-R398 CarbonylContact O-C 3.52Å; Y369-R398 WeakPolarHBondContact O-CA 3.19Å; Y369-E399 PolarHBondContact O-N 2.77Å; Y369-Y421 WeakPolarHBondContact CB-OH 3.18Å
370M96.1Very high91.4Very high10 Ų1053.9 Ų53.95%0.04926%0.264CS..BIsolated β-bridgetrans-75.8136.9-176.7-59.4-161.7170.400111.6K366 P367 F368 R372 A379 C381 S396 R408K366-M370 HydrophobicContact CB-SD 3.71Å; K366-M370 HydrophobicContact CD-CE 4.35Å; K366-M370 HydrophobicContact CD-SD 4.12Å; K366-M370 HydrophobicContact CG-SD 4.17Å; P367-M370 HydrophobicContact CB-CG 4.46Å; P367-M370 HydrophobicContact CG-CE 4.13Å; P367-M370 PolarHBondContact O-N 3.18Å; P367-M370 VanDerWaalsContact O-N 3.15Å; F368-M370 VanDerWaalsContact C-N 3.29Å; F368-M370 PolarHBondContact O-N 3.28Å; M370-R372 WeakPolarHBondContact O-CD 3.27Å; M370-R372 PolarHBondContact O-NE 3.44Å; M370-A379 HydrophobicContact CB-CB 4.32Å; M370-A379 HydrophobicContact SD-CB 4.3Å; M370-C381 HydrophobicContact CE-CB 4.24Å; M370-C381 HydrophobicContact SD-CB 3.53Å; M370-C381 VanDerWaalsContact SD-CB 3.53Å; M370-S396 WeakPolarHBondContact CG-OG 3.4Å; M370-R408 PolarHBondContact O-NH1 3.31Å
371K96Very high91.5Very high60 Ų6051.5 Ų51.526%0.26125%0.251SS..  trans-63.2138.7170-169.8167.3-174165.40109.8C380 L397K371-C380 HydrophobicContact CB-CB 4.29Å; K371-C380 PolarHBondContact O-N 2.9Å; K371-L397 HydrophobicContact CB-CB 4Å; K371-L397 HydrophobicContact CD-CB 4.27Å; K371-L397 PolarHBondContact N-O 3.03Å
372R95Very high91.7Very high54 Ų5451 Ų5120%0.20425%0.249CC..EExtended strand (participates in β ladder)trans-108.6142.9-179.2-47.4-55.5-170.6167.86.8111.3S363 K366 P367 M370 T378 R408S363-R372 PolarHBondContact O-NH1 2.89Å; S363-R372 PolarHBondContact O-NH2 2.9Å; S363-R372 VanDerWaalsContact O-NH2 3.12Å; K366-R372 PolarHBondContact O-NH1 2.75Å; K366-R372 PolarHBondContact O-NH2 2.86Å; P367-R372 PolarHBondContact O-NH2 3.29Å; P367-R372 VanDerWaalsContact O-NH2 3.09Å; M370-R372 WeakPolarHBondContact O-CD 3.27Å; M370-R372 PolarHBondContact O-NE 3.44Å; R372-T378 CarbonylContact C-O 3.57Å; R372-T378 WeakPolarHBondContact CA-O 3.29Å; R372-R408 VanDerWaalsContact CG-NH2 3.3Å
373S90.7Very high91.9Very high31 Ų3150.6 Ų50.622%0.21725%0.246CC..EExtended strand (participates in β ladder)trans-91.5110.4166.3179.70000109.3Q375 N376 N377 T378S373-Q375 PolarHBondContact O-N 2.93Å; S373-N376 PolarHBondContact O-N 2.64Å; S373-N377 PolarHBondContact O-N 3.08Å; S373-T378 PolarHBondContact N-O 3.08Å; S373-T378 PolarHBondContact O-N 2.99Å
374R78.3Confident92.2Very high238 Ų23849.8 Ų49.890%0.89824%0.24SC*.THydrogen-bonded Turntrans-63.7-31.7177.7-67.9-173.4-178.9-168.20112.5N376R374-N376 VanDerWaalsContact C-N 3.33Å; R374-N376 PolarHBondContact O-N 3.49Å
375Q82.6Confident92.6Very high174 Ų17445.6 Ų45.681%0.81322%0.218SC*.THydrogen-bonded Turntrans-65-37.7-177-172.4178.6-1.700112.3S373S373-Q375 PolarHBondContact O-N 2.93Å
376N79.4Confident93.1Very high98 Ų9843.9 Ų43.952%0.52421%0.207SC..THydrogen-bonded Turntrans-114.2-2-171.2-60.9-22.8000113.6S373 R374 T378S373-N376 PolarHBondContact O-N 2.64Å; R374-N376 VanDerWaalsContact C-N 3.33Å; R374-N376 PolarHBondContact O-N 3.49Å; N376-T378 HydrophobicContact CB-CG2 3.97Å; N376-T378 PolarHBondContact O-N 3.49Å
377N91.2Very high93.3Very high107 Ų10742.2 Ų42.257%0.57220%0.2SC*.THydrogen-bonded Turntrans54.736.1-170.7-166.129.6000113.6S363 S373S363-N377 WeakPolarHBondContact CB-O 3.4Å; S363-N377 PolarHBondContact N-O 2.96Å; S363-N377 PolarHBondContact OG-O 3.36Å; S363-N377 PolarHBondContact OG-OD1 2.86Å; S373-N377 PolarHBondContact O-N 3.08Å
378T94.7Very high93Very high19 Ų1946.8 Ų46.812%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-112.5162.3-179.360.10000112D360 Y361 R372 S373 N376D360-T378 HydrophobicContact CB-CG2 4.13Å; D360-T378 VanDerWaalsContact O-CG2 3.23Å; D360-T378 WeakPolarHBondContact O-CG2 3.43Å; Y361-T378 CarbonylContact O-C 3.59Å; Y361-T378 VanDerWaalsContact O-CA 3.22Å; Y361-T378 WeakPolarHBondContact O-CA 3.28Å; Y361-T378 WeakPolarHBondContact O-CB 3.4Å; R372-T378 CarbonylContact C-O 3.57Å; R372-T378 WeakPolarHBondContact CA-O 3.29Å; S373-T378 PolarHBondContact N-O 3.08Å; S373-T378 PolarHBondContact O-N 2.99Å; N376-T378 HydrophobicContact CB-CG2 3.97Å; N376-T378 PolarHBondContact O-N 3.49Å
379A95.7Very high93.1Very high0 Ų046.1 Ų46.10%022%0.216CC..EExtended strand (participates in β ladder)trans-90.3139.1165.700000109.8D360 Y361 K366 M370 C381D360-A379 WeakPolarHBondContact CA-O 3.47Å; Y361-A379 PolarHBondContact O-N 3.47Å; K366-A379 HydrophobicContact CB-CB 3.95Å; K366-A379 HydrophobicContact CG-CB 4.16Å; M370-A379 HydrophobicContact CB-CB 4.32Å; M370-A379 HydrophobicContact SD-CB 4.3Å; A379-C381 HydrophobicContact CB-CB 4.29Å; A379-C381 PolarHBondContact O-N 2.84Å
380C96.8Very high93.1Very high25 Ų2545.6 Ų45.617%0.16922%0.215CC..SBendtrans-75.568.8173.6-59.40000109.9K371 S396 L397K371-C380 HydrophobicContact CB-CB 4.29Å; K371-C380 PolarHBondContact O-N 2.9Å; C380-S396 VanDerWaalsContact O-CA 3.3Å; C380-S396 WeakPolarHBondContact O-CA 3.41Å; C380-S396 WeakPolarHBondContact O-CB 3.43Å; C380-L397 HydrophobicContact CB-CB 4.11Å; C380-L397 HydrophobicContact CB-CD1 4.15Å; C380-L397 HydrophobicContact CB-CG 4.29Å; C380-L397 PolarHBondContact O-N 2.73Å
381C97.6Very high93.1Very high0 Ų048 Ų480%023%0.225CC..EExtended strand (participates in β ladder)trans-133.8168.4-172.571.50000111.9V359 D360 M370 A379 G395V359-C381 WeakPolarHBondContact CA-O 3.49Å; D360-C381 PolarHBondContact N-O 3.15Å; D360-C381 VanDerWaalsContact N-O 3.13Å; M370-C381 HydrophobicContact CE-CB 4.24Å; M370-C381 HydrophobicContact SD-CB 3.53Å; M370-C381 VanDerWaalsContact SD-CB 3.53Å; A379-C381 HydrophobicContact CB-CB 4.29Å; A379-C381 PolarHBondContact O-N 2.84Å; C381-G395 CarbonylContact C-O 3.47Å; C381-G395 WeakPolarHBondContact CA-O 3.44Å; C381-G395 VanDerWaalsContact CB-O 3.24Å; C381-G395 WeakPolarHBondContact CB-O 2.94Å
382F98.2Very high93.2Very high0 Ų045.3 Ų45.30%021%0.214CC..EExtended strand (participates in β ladder)trans-143.8152.8173.370.8-89.2000110.8L263 L266 L267 V270 F357 V358 V359 G394 G395 F435L263-F382 HydrophobicContact CD1-CD1 3.73Å; L263-F382 HydrophobicContact CD1-CE1 4.44Å; L263-F382 HydrophobicContact CD2-CB 4.48Å; L263-F382 HydrophobicContact CG-CD1 4.3Å; L266-F382 HydrophobicContact CB-CE1 3.66Å; L266-F382 HydrophobicContact CB-CZ 4.3Å; L266-F382 HydrophobicContact CD1-CE1 4.14Å; L267-F382 HydrophobicContact CD2-CB 3.58Å; L267-F382 HydrophobicContact CD2-CD1 3.52Å; L267-F382 HydrophobicContact CD2-CD2 3.75Å; L267-F382 HydrophobicContact CD2-CE1 4.1Å; L267-F382 HydrophobicContact CD2-CE2 4.31Å; L267-F382 HydrophobicContact CD2-CG 3.31Å; L267-F382 HydrophobicContact CD2-CZ 4.46Å; V270-F382 HydrophobicContact CG2-CE2 3.95Å; V270-F382 HydrophobicContact CG2-CZ 3.73Å; F357-F382 HydrophobicContact CD1-CB 4.41Å; F357-F382 AromaticContact CD1-CD2 3.67Å; F357-F382 HydrophobicContact CD1-CD2 3.67Å; F357-F382 HydrophobicContact CD1-CE2 4.34Å; F357-F382 HydrophobicContact CD1-CG 4.3Å; F357-F382 AromaticContact CE1-CD2 3.65Å; F357-F382 HydrophobicContact CE1-CD2 3.65Å; F357-F382 AromaticContact CE1-CE2 3.85Å; F357-F382 HydrophobicContact CE1-CE2 3.85Å; F357-F382 HydrophobicContact CE1-CG 4.49Å; V358-F382 CarbonylContact O-C 3.58Å; V358-F382 VanDerWaalsContact O-CA 3.24Å; V358-F382 WeakPolarHBondContact O-CA 3.43Å; V359-F382 HydrophobicContact CG1-CB 3.87Å; F382-G394 WeakPolarHBondContact O-CA 3.29Å; F382-G395 PolarHBondContact N-O 3.29Å; F382-G395 PolarHBondContact O-N 3.22Å; F382-F435 HydrophobicContact CE1-CB 4.39Å; F382-F435 HydrophobicContact CZ-CB 3.74Å; F382-F435 HydrophobicContact CZ-CD1 4.37Å; F382-F435 HydrophobicContact CZ-CG 4.29Å
383D98.1Very high93.3Very high14 Ų1442.8 Ų42.88%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-122.7131.5162.5-58.7-17.3000107.3V358 Y361 K366 E391 C393V358-D383 PolarHBondContact N-O 2.91Å; V358-D383 PolarHBondContact O-N 2.96Å; Y361-D383 HydrophobicContact CE2-CB 4.06Å; Y361-D383 WeakPolarHBondContact CE2-OD2 3.18Å; Y361-D383 PolarHBondContact OH-OD2 3.4Å; K366-D383 VanDerWaalsContact NZ-CG 3.31Å; K366-D383 IonicContact NZ-OD1 2.86Å; K366-D383 PolarHBondContact NZ-OD1 2.9Å; K366-D383 IonicContact NZ-OD2 2.58Å; K366-D383 PolarHBondContact NZ-OD2 2.69Å; D383-E391 HydrophobicContact CB-CG 4.34Å; D383-C393 CarbonylContact C-O 3.47Å; D383-C393 WeakPolarHBondContact CA-O 3.32Å
384L98.6Very high93.7Very high0 Ų042.2 Ų42.20%020%0.204CC..EExtended strand (participates in β ladder)trans-91.4115.9172.3178.562.7000109.3V270 V274 F313 P355 F357 V386 E391 L392 C393V270-L384 HydrophobicContact CG1-CD2 3.61Å; V274-L384 HydrophobicContact CG2-CD2 4.03Å; F313-L384 HydrophobicContact CD2-CD1 3.86Å; F313-L384 HydrophobicContact CD2-CD2 4.49Å; F313-L384 HydrophobicContact CE2-CD1 4.42Å; F313-L384 HydrophobicContact CE2-CD2 4.29Å; P355-L384 HydrophobicContact CB-CD1 3.9Å; F357-L384 HydrophobicContact CD1-CB 3.89Å; F357-L384 HydrophobicContact CD1-CD1 3.82Å; F357-L384 HydrophobicContact CD1-CG 4.43Å; F357-L384 HydrophobicContact CD2-CD1 4.2Å; F357-L384 HydrophobicContact CE1-CB 3.72Å; F357-L384 HydrophobicContact CE1-CD1 3.77Å; F357-L384 HydrophobicContact CE1-CD2 4.39Å; F357-L384 HydrophobicContact CE1-CG 4.15Å; F357-L384 HydrophobicContact CE2-CD1 4.12Å; F357-L384 HydrophobicContact CG-CD1 4.06Å; F357-L384 HydrophobicContact CZ-CD1 3.92Å; F357-L384 HydrophobicContact CZ-CD2 4.45Å; L384-V386 HydrophobicContact CD2-CG1 4.22Å; L384-V386 HydrophobicContact CG-CG1 4.02Å; L384-E391 CarbonylContact O-C 3.59Å; L384-E391 WeakPolarHBondContact O-CA 3.2Å; L384-L392 HydrophobicContact CD2-CD2 4.22Å; L384-L392 PolarHBondContact O-N 2.83Å; L384-C393 HydrophobicContact CB-CB 4.14Å; L384-C393 PolarHBondContact N-O 2.86Å
385L98.3Very high94.6Very high1 Ų131 Ų311%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-95.7133.7175.8-50.4-177.8000110.3E344 L347 V348 P355 V356 V358 G390 E391E344-L385 HydrophobicContact CB-CD1 4.19Å; E344-L385 HydrophobicContact CB-CD2 4.27Å; E344-L385 HydrophobicContact CG-CD1 4.22Å; E344-L385 HydrophobicContact CG-CD2 3.85Å; L347-L385 HydrophobicContact CB-CD1 4.22Å; L347-L385 HydrophobicContact CD1-CD1 3.94Å; V348-L385 HydrophobicContact CG2-CB 3.62Å; P355-L385 CarbonylContact C-O 3.52Å; P355-L385 VanDerWaalsContact CA-O 3.28Å; P355-L385 WeakPolarHBondContact CA-O 3.41Å; V356-L385 HydrophobicContact CG1-CB 4.03Å; V356-L385 PolarHBondContact N-O 3.17Å; V356-L385 PolarHBondContact O-N 2.58Å; V358-L385 HydrophobicContact CG2-CD1 3.77Å; V358-L385 HydrophobicContact CG2-CG 4.24Å; L385-G390 CarbonylContact C-O 3.51Å; L385-G390 WeakPolarHBondContact CA-O 3.38Å; L385-E391 HydrophobicContact CD2-CB 4.11Å
386V97.7Very high95.4Very high1 Ų122.7 Ų22.71%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-130.6156-179.6-53.30000112.5P355 L384 V389 G390 L392 F445P355-V386 HydrophobicContact CB-CG1 4.08Å; P355-V386 HydrophobicContact CG-CG1 4.23Å; L384-V386 HydrophobicContact CD2-CG1 4.22Å; L384-V386 HydrophobicContact CG-CG1 4.02Å; V386-V389 HydrophobicContact CG2-CB 3.78Å; V386-V389 HydrophobicContact CG2-CG1 4.39Å; V386-V389 HydrophobicContact CG2-CG2 4.3Å; V386-V389 PolarHBondContact O-N 2.75Å; V386-G390 PolarHBondContact N-O 2.83Å; V386-G390 PolarHBondContact O-N 3.01Å; V386-L392 HydrophobicContact CG1-CB 3.85Å; V386-L392 HydrophobicContact CG1-CD2 3.73Å; V386-L392 HydrophobicContact CG1-CG 4.45Å; V386-L392 HydrophobicContact CG2-CB 3.86Å; V386-L392 HydrophobicContact CG2-CD2 4.29Å; V386-F445 HydrophobicContact CB-CD1 4.17Å; V386-F445 HydrophobicContact CB-CD2 3.8Å; V386-F445 HydrophobicContact CB-CE1 4.16Å; V386-F445 HydrophobicContact CB-CE2 3.83Å; V386-F445 HydrophobicContact CB-CG 3.97Å; V386-F445 HydrophobicContact CB-CZ 3.96Å; V386-F445 HydrophobicContact CG1-CD1 4.31Å; V386-F445 HydrophobicContact CG1-CE1 4.12Å; V386-F445 HydrophobicContact CG1-CZ 4.24Å; V386-F445 HydrophobicContact CG2-CB 3.8Å; V386-F445 HydrophobicContact CG2-CD1 4.05Å; V386-F445 HydrophobicContact CG2-CD2 3.71Å; V386-F445 HydrophobicContact CG2-CE2 4.27Å; V386-F445 HydrophobicContact CG2-CG 3.57Å
387P94.5Very high96.3Very high2 Ų218.7 Ų18.71%0.01310%0.102CC..THydrogen-bonded Turntrans-47.7138.3177.1-32.734.2000114.7L303 V348 N353 V389 F445L303-P387 HydrophobicContact CD2-CB 4.24Å; L303-P387 HydrophobicContact CD2-CG 4.16Å; V348-P387 HydrophobicContact CG1-CB 4.25Å; V348-P387 HydrophobicContact CG1-CG 3.71Å; N353-P387 VanDerWaalsContact C-CG 3.45Å; N353-P387 HydrophobicContact CB-CG 4.4Å; N353-P387 WeakPolarHBondContact O-CG 3.25Å; P387-V389 PolarHBondContact O-N 3.31Å; P387-F445 HydrophobicContact CB-CD2 4.41Å; P387-F445 HydrophobicContact CB-CE2 4.14Å; P387-F445 HydrophobicContact CG-CE2 3.94Å
388H86.7Confident96.6Very high122 Ų12213.7 Ų13.757%0.5658%0.075SC*.THydrogen-bonded Turntrans63.9-24.1176.8-47-70.9000116.6
389V94Very high96.7Very high0 Ų013.5 Ų13.50%07%0.073CC..THydrogen-bonded Turntrans-99-36.8-175.9179.20000112.1Q245 V386 P387 R441 Q444 F445Q245-V389 PolarHBondContact NE2-O 3.49Å; V386-V389 HydrophobicContact CG2-CB 3.78Å; V386-V389 HydrophobicContact CG2-CG1 4.39Å; V386-V389 HydrophobicContact CG2-CG2 4.3Å; V386-V389 PolarHBondContact O-N 2.75Å; P387-V389 PolarHBondContact O-N 3.31Å; V389-R441 HydrophobicContact CG1-CB 3.83Å; V389-R441 HydrophobicContact CG1-CG 4.05Å; V389-R441 PolarHBondContact O-NH2 2.77Å; V389-Q444 HydrophobicContact CG2-CB 3.96Å; V389-Q444 HydrophobicContact CG2-CG 3.9Å; V389-F445 HydrophobicContact CG2-CB 3.83Å
390G94.5Very high96.7Very high2 Ų215.5 Ų15.52%0.0219%0.085CC..EExtended strand (participates in β ladder)trans81.4-135.8-166.400000110.1E344 L385 V386 L392E344-G390 WeakPolarHBondContact OE2-CA 3.44Å; L385-G390 CarbonylContact C-O 3.51Å; L385-G390 WeakPolarHBondContact CA-O 3.38Å; V386-G390 PolarHBondContact N-O 2.83Å; V386-G390 PolarHBondContact O-N 3.01Å; G390-L392 PolarHBondContact O-N 3.36Å
391E96.5Very high96.6Very high59 Ų5917.6 Ų17.628%0.27610%0.095SC..EExtended strand (participates in β ladder)trans-52.7121.7176.8-174.5-167.3170.300113E344 D383 L384 L385 R441E344-E391 PolarHBondContact OE2-N 2.91Å; D383-E391 HydrophobicContact CB-CG 4.34Å; L384-E391 CarbonylContact O-C 3.59Å; L384-E391 WeakPolarHBondContact O-CA 3.2Å; L385-E391 HydrophobicContact CD2-CB 4.11Å; E391-R441 PolarHBondContact O-NE 2.98Å; E391-R441 VanDerWaalsContact O-NE 3.12Å; E391-R441 PolarHBondContact O-NH1 3.11Å; E391-R441 PolarHBondContact O-NH2 2.83Å
392L97.8Very high96.6Very high4 Ų421.2 Ų21.22%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-103.1-39175.4171.960.7000112.1V274 L384 V386 G390 L437 G438 R441 L442 F445V274-L392 HydrophobicContact CG2-CD2 3.97Å; L384-L392 HydrophobicContact CD2-CD2 4.22Å; L384-L392 PolarHBondContact O-N 2.83Å; V386-L392 HydrophobicContact CG1-CB 3.85Å; V386-L392 HydrophobicContact CG1-CD2 3.73Å; V386-L392 HydrophobicContact CG1-CG 4.45Å; V386-L392 HydrophobicContact CG2-CB 3.86Å; V386-L392 HydrophobicContact CG2-CD2 4.29Å; G390-L392 PolarHBondContact O-N 3.36Å; L392-L437 HydrophobicContact CD1-CG 4.42Å; L392-L437 HydrophobicContact CG-CG 4.43Å; L392-G438 PolarHBondContact O-N 3.22Å; L392-R441 HydrophobicContact CD1-CB 3.96Å; L392-L442 HydrophobicContact CD1-CB 3.96Å; L392-L442 HydrophobicContact CD1-CD1 4.45Å; L392-L442 VanDerWaalsContact CD1-N 3.31Å; L392-L442 HydrophobicContact CD2-CD1 4.1Å; L392-F445 HydrophobicContact CD2-CD1 4.13Å
393C98.2Very high96.4Very high1 Ų124.9 Ų24.91%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-143.9134.1-171.5-178.80000108.9V270 D383 L384 F435 G436 L437V270-C393 HydrophobicContact CG1-CB 4.07Å; D383-C393 CarbonylContact C-O 3.47Å; D383-C393 WeakPolarHBondContact CA-O 3.32Å; L384-C393 HydrophobicContact CB-CB 4.14Å; L384-C393 PolarHBondContact N-O 2.86Å; C393-F435 VanDerWaalsContact SG-CD2 3.54Å; C393-G436 WeakPolarHBondContact CA-O 3.31Å; C393-G436 PolarHBondContact SG-O 2.82Å; C393-L437 HydrophobicContact CB-CB 4.26Å; C393-L437 HydrophobicContact CB-CD1 4.4Å; C393-L437 HydrophobicContact CB-CG 4.37Å
394G97.8Very high96.3Very high20 Ų2025.4 Ų25.421%0.20614%0.135CC..EExtended strand (participates in β ladder)trans-124.5138174.700000109.9F382 F435 G436F382-G394 WeakPolarHBondContact O-CA 3.29Å; G394-F435 CarbonylContact O-C 3.57Å; G394-F435 VanDerWaalsContact O-CA 3.29Å; G394-F435 WeakPolarHBondContact O-CA 3.3Å; G394-F435 WeakPolarHBondContact O-CB 3.38Å; G394-G436 PolarHBondContact N-O 3.06Å; G394-G436 VanDerWaalsContact N-O 3.09Å; G394-G436 PolarHBondContact O-N 2.88Å
395G98.2Very high96.1Very high2 Ų225.4 Ų25.42%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-158167-176.100000114.2C381 F382 G434C381-G395 CarbonylContact C-O 3.47Å; C381-G395 WeakPolarHBondContact CA-O 3.44Å; C381-G395 VanDerWaalsContact CB-O 3.24Å; C381-G395 WeakPolarHBondContact CB-O 2.94Å; F382-G395 PolarHBondContact N-O 3.29Å; F382-G395 PolarHBondContact O-N 3.22Å; G395-G434 CarbonylContact C-O 3.55Å; G395-G434 WeakPolarHBondContact CA-O 3.31Å
396S98.4Very high95.9Very high0 Ų026.1 Ų26.10%014%0.141CC..EExtended strand (participates in β ladder)trans-158.5163.6179.384.20000113L266 M370 C380 R398 G433 G434L266-S396 WeakPolarHBondContact CD1-O 3.38Å; M370-S396 WeakPolarHBondContact CG-OG 3.4Å; C380-S396 VanDerWaalsContact O-CA 3.3Å; C380-S396 WeakPolarHBondContact O-CA 3.41Å; C380-S396 WeakPolarHBondContact O-CB 3.43Å; S396-R398 PolarHBondContact O-NH1 3.05Å; S396-R398 PolarHBondContact OG-NH1 3.1Å; S396-G433 WeakPolarHBondContact O-CA 3.4Å; S396-G434 PolarHBondContact N-O 2.94Å; S396-G434 PolarHBondContact O-N 3.31Å
397L98.1Very high95.7Very high13 Ų1332 Ų327%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-71.3146.6154.3-59.7-177.9000109.5L266 K371 C380L266-L397 HydrophobicContact CD1-CD2 4.24Å; K371-L397 HydrophobicContact CB-CB 4Å; K371-L397 HydrophobicContact CD-CB 4.27Å; K371-L397 PolarHBondContact N-O 3.03Å; C380-L397 HydrophobicContact CB-CB 4.11Å; C380-L397 HydrophobicContact CB-CD1 4.15Å; C380-L397 HydrophobicContact CB-CG 4.29Å; C380-L397 PolarHBondContact O-N 2.73Å
398R97.6Very high95.6Very high2 Ų234.2 Ų34.21%0.00818%0.176CC..BIsolated β-bridgetrans-93.1148.1-177.2-47-49.4177.7-175.516.8110.9Q216 E220 E256 Y369 S396 T400 L432 G434Q216-R398 VanDerWaalsContact CD-CZ 3.41Å; Q216-R398 VanDerWaalsContact OE1-CZ 3.29Å; E220-R398 HydrophobicContact CG-CG 4.42Å; E256-R398 IonicContact OE1-CZ 3.14Å; E256-R398 IonicContact OE1-NE 3.1Å; E256-R398 PolarHBondContact OE1-NE 3.49Å; E256-R398 IonicContact OE1-NH2 2.63Å; E256-R398 PolarHBondContact OE1-NH2 3.15Å; E256-R398 IonicContact OE2-NE 3.92Å; Y369-R398 CarbonylContact O-C 3.52Å; Y369-R398 WeakPolarHBondContact O-CA 3.19Å; S396-R398 PolarHBondContact O-NH1 3.05Å; S396-R398 PolarHBondContact OG-NH1 3.1Å; R398-T400 PolarHBondContact O-N 3.47Å; R398-L432 HydrophobicContact CB-CB 4.14Å; R398-L432 HydrophobicContact CG-CB 3.85Å; R398-L432 PolarHBondContact N-O 2.84Å; R398-G434 VanDerWaalsContact NH2-CA 3.29Å; R398-G434 PolarHBondContact NH2-O 3.44Å
399E96.7Very high95.7Very high16 Ų1628.4 Ų28.48%0.07515%0.15CC..PPolyproline II helixtrans-65.7126.7174.3-176.558.3-93.900109.8Y369 D401 T404 I405 R408 R425Y369-E399 PolarHBondContact O-N 2.77Å; E399-D401 PolarHBondContact OE1-N 2.88Å; E399-T404 HydrophobicContact CG-CG2 3.96Å; E399-I405 HydrophobicContact CB-CD1 4.24Å; E399-I405 HydrophobicContact CG-CB 4.31Å; E399-I405 HydrophobicContact CG-CD1 4.47Å; E399-R408 IonicContact OE2-CZ 2.63Å; E399-R408 IonicContact OE2-NH1 3.43Å; E399-R408 PolarHBondContact OE2-NH1 3.41Å; E399-R408 IonicContact OE2-NH2 3.46Å; E399-R408 PolarHBondContact OE2-NH2 3.5Å; E399-R425 PolarHBondContact O-NE 3.45Å; E399-R425 PolarHBondContact O-NH2 3.28Å; E399-R425 VanDerWaalsContact O-NH2 3.11Å
400T96.2Very high95.6Very high42 Ų4231.6 Ų31.626%0.25817%0.172SC..  trans-103.2-21.3-173.352.30000112.4R398 R425 Y429 N431R398-T400 PolarHBondContact O-N 3.47Å; T400-R425 WeakPolarHBondContact O-CG 3.48Å; T400-Y429 HydrophobicContact CG2-CD1 4.22Å; T400-Y429 HydrophobicContact CG2-CE1 4.07Å; T400-N431 WeakPolarHBondContact CG2-OD1 3.37Å
401D95.2Very high95.3Very high68 Ų6836.3 Ų36.336%0.36420%0.204SC..  trans-81.3123.7-178.4179.460.3000111.7E399 T403 T404 I405E399-D401 PolarHBondContact OE1-N 2.88Å; D401-T403 WeakPolarHBondContact OD2-CB 3.47Å; D401-T403 PolarHBondContact OD2-N 3.13Å; D401-T404 VanDerWaalsContact OD2-CB 3.24Å; D401-T404 WeakPolarHBondContact OD2-CB 3.48Å; D401-T404 PolarHBondContact OD2-N 2.95Å; D401-T404 PolarHBondContact OD2-OG1 3.2Å; D401-I405 PolarHBondContact O-N 2.97Å; D401-I405 VanDerWaalsContact O-N 3.08Å
402Y96.4Very high94.8Very high77 Ų7736.8 Ų36.830%0.30221%0.208SC..Hα-helixtrans-60.3-46.4179.6170.5-107.8000112T404 I405 A406 A422 R425 K426Y402-T404 VanDerWaalsContact C-N 3.35Å; Y402-T404 PolarHBondContact O-N 3.25Å; Y402-I405 WeakPolarHBondContact O-CG2 3.45Å; Y402-I405 PolarHBondContact O-N 3.19Å; Y402-A406 HydrophobicContact CE2-CB 4.14Å; Y402-A406 WeakPolarHBondContact O-CB 3.4Å; Y402-A406 PolarHBondContact O-N 3.22Å; Y402-A422 HydrophobicContact CD2-CB 4.42Å; Y402-A422 WeakPolarHBondContact CD2-O 3.4Å; Y402-A422 HydrophobicContact CE2-CB 4.08Å; Y402-R425 HydrophobicContact CD2-CB 4.5Å; Y402-K426 HydrophobicContact CD2-CG 4.03Å; Y402-K426 HydrophobicContact CE2-CD 4.25Å; Y402-K426 HydrophobicContact CE2-CG 4.24Å; Y402-K426 HydrophobicContact CG-CG 4.35Å; Y402-K426 VanDerWaalsContact OH-CE 3.31Å; Y402-K426 WeakPolarHBondContact OH-CE 3.39Å; Y402-K426 PolarHBondContact OH-NZ 3Å
403T95.9Very high94.1Very high76 Ų7640 Ų4047%0.46624%0.241SC..Hα-helixtrans-60.6-48.6-176.8-48.50000110.1D401 I405 A406 E407D401-T403 WeakPolarHBondContact OD2-CB 3.47Å; D401-T403 PolarHBondContact OD2-N 3.13Å; T403-I405 PolarHBondContact O-N 3.33Å; T403-A406 PolarHBondContact O-N 2.72Å; T403-E407 WeakPolarHBondContact O-CB 3.25Å; T403-E407 VanDerWaalsContact O-CG 3.29Å; T403-E407 WeakPolarHBondContact O-CG 3.42Å; T403-E407 PolarHBondContact O-N 3.2Å
404T94.7Very high93.4Very high26 Ų2641 Ų4116%0.1625%0.246CC..Hα-helixtrans-61-46.8179.7-59.50000112.1E399 D401 Y402 R408E399-T404 HydrophobicContact CG-CG2 3.96Å; D401-T404 VanDerWaalsContact OD2-CB 3.24Å; D401-T404 WeakPolarHBondContact OD2-CB 3.48Å; D401-T404 PolarHBondContact OD2-N 2.95Å; D401-T404 PolarHBondContact OD2-OG1 3.2Å; Y402-T404 VanDerWaalsContact C-N 3.35Å; Y402-T404 PolarHBondContact O-N 3.25Å; T404-R408 VanDerWaalsContact O-CG 3.31Å; T404-R408 WeakPolarHBondContact O-CG 3.45Å; T404-R408 PolarHBondContact O-N 3.36Å; T404-R408 VanDerWaalsContact O-N 3.09Å
405I94.6Very high92.6Very high0 Ų041.7 Ų41.70%025%0.25CC..Hα-helixtrans-70.6-37.5-179.1-162.165.1000111.7F368 E399 D401 Y402 T403 R408 V409 Y421 A422 R425F368-I405 HydrophobicContact CD2-CD1 3.59Å; F368-I405 HydrophobicContact CE2-CD1 3.77Å; E399-I405 HydrophobicContact CB-CD1 4.24Å; E399-I405 HydrophobicContact CG-CB 4.31Å; E399-I405 HydrophobicContact CG-CD1 4.47Å; D401-I405 PolarHBondContact O-N 2.97Å; D401-I405 VanDerWaalsContact O-N 3.08Å; Y402-I405 WeakPolarHBondContact O-CG2 3.45Å; Y402-I405 PolarHBondContact O-N 3.19Å; T403-I405 PolarHBondContact O-N 3.33Å; I405-R408 PolarHBondContact O-N 3.01Å; I405-V409 HydrophobicContact CG1-CG2 4.44Å; I405-V409 WeakPolarHBondContact O-CB 3.49Å; I405-V409 VanDerWaalsContact O-CG2 3.3Å; I405-V409 WeakPolarHBondContact O-CG2 3.39Å; I405-V409 PolarHBondContact O-N 3.17Å; I405-Y421 HydrophobicContact CD1-CE1 4.18Å; I405-Y421 HydrophobicContact CG1-CD1 4.4Å; I405-Y421 HydrophobicContact CG1-CE1 4.12Å; I405-A422 HydrophobicContact CG2-CB 3.97Å; I405-R425 HydrophobicContact CG2-CG 4.4Å
406A94.3Very high91.9Very high15 Ų1548.9 Ų48.912%0.12428%0.283CS..Hα-helixtrans-64.7-42.1177.300000111.8Y402 T403 S410Y402-A406 HydrophobicContact CE2-CB 4.14Å; Y402-A406 WeakPolarHBondContact O-CB 3.4Å; Y402-A406 PolarHBondContact O-N 3.22Å; T403-A406 PolarHBondContact O-N 2.72Å; A406-S410 VanDerWaalsContact O-CB 3.29Å; A406-S410 WeakPolarHBondContact O-CB 3.44Å; A406-S410 PolarHBondContact O-N 3.3Å; A406-S410 PolarHBondContact O-OG 2.88Å
407E94.1Very high91.3Very high126 Ų12652.1 Ų52.159%0.58930%0.298SS*.Hα-helixtrans-61.4-47.4173.7-76.1173.8-179.800111.5T403 S410 S411T403-E407 WeakPolarHBondContact O-CB 3.25Å; T403-E407 VanDerWaalsContact O-CG 3.29Å; T403-E407 WeakPolarHBondContact O-CG 3.42Å; T403-E407 PolarHBondContact O-N 3.2Å; E407-S410 PolarHBondContact O-N 3.27Å; E407-S411 WeakPolarHBondContact O-CB 3.43Å; E407-S411 PolarHBondContact O-N 3.08Å
408R92.2Very high90.9Very high47 Ų4751.6 Ų51.618%0.17730%0.295CS..Hα-helixtrans-61.6-49.6178.7-72.2178.5-167.2166.216111.8F368 M370 R372 E399 T404 I405 S410 S411 M412F368-R408 HydrophobicContact CB-CB 4.21Å; F368-R408 HydrophobicContact CD2-CB 4.46Å; F368-R408 WeakPolarHBondContact O-CD 3.38Å; F368-R408 PolarHBondContact O-NH1 3.33Å; M370-R408 PolarHBondContact O-NH1 3.31Å; R372-R408 VanDerWaalsContact CG-NH2 3.3Å; E399-R408 IonicContact OE2-CZ 2.63Å; E399-R408 IonicContact OE2-NH1 3.43Å; E399-R408 PolarHBondContact OE2-NH1 3.41Å; E399-R408 IonicContact OE2-NH2 3.46Å; E399-R408 PolarHBondContact OE2-NH2 3.5Å; T404-R408 VanDerWaalsContact O-CG 3.31Å; T404-R408 WeakPolarHBondContact O-CG 3.45Å; T404-R408 PolarHBondContact O-N 3.36Å; T404-R408 VanDerWaalsContact O-N 3.09Å; I405-R408 PolarHBondContact O-N 3.01Å; R408-S410 VanDerWaalsContact C-N 3.26Å; R408-S410 PolarHBondContact O-N 2.93Å; R408-S411 PolarHBondContact O-N 3Å; R408-S411 PolarHBondContact O-OG 3.27Å; R408-M412 WeakPolarHBondContact O-CG 3.25Å; R408-M412 PolarHBondContact O-N 3.03Å
409V89.2Confident90.7Very high1 Ų154.6 Ų54.61%0.00631%0.309CS..Hα-helixtrans-57.9-40.9177.1164.10000111.3F368 I405 M412 M414 L418F368-V409 HydrophobicContact CD2-CG2 4.09Å; F368-V409 HydrophobicContact CE2-CG2 3.69Å; I405-V409 HydrophobicContact CG1-CG2 4.44Å; I405-V409 WeakPolarHBondContact O-CB 3.49Å; I405-V409 VanDerWaalsContact O-CG2 3.3Å; I405-V409 WeakPolarHBondContact O-CG2 3.39Å; I405-V409 PolarHBondContact O-N 3.17Å; V409-M412 PolarHBondContact O-N 3.48Å; V409-M414 HydrophobicContact CG1-CB 4.5Å; V409-M414 PolarHBondContact O-N 2.99Å; V409-M414 VanDerWaalsContact O-N 3.14Å; V409-L418 HydrophobicContact CG1-CB 3.68Å; V409-L418 HydrophobicContact CG2-CB 4.08Å; V409-L418 HydrophobicContact CG2-CD1 4.3Å
410S90.5Very high90.5Very high67 Ų6758 Ų5847%0.46932%0.322SS..Hα-helixtrans-67.1-42.8177.3-59.10000112A406 E407 R408 M412 G413A406-S410 VanDerWaalsContact O-CB 3.29Å; A406-S410 WeakPolarHBondContact O-CB 3.44Å; A406-S410 PolarHBondContact O-N 3.3Å; A406-S410 PolarHBondContact O-OG 2.88Å; E407-S410 PolarHBondContact O-N 3.27Å; R408-S410 VanDerWaalsContact C-N 3.26Å; R408-S410 PolarHBondContact O-N 2.93Å; S410-M412 PolarHBondContact O-N 3.37Å; S410-G413 PolarHBondContact O-N 3.32Å
411S88.6Confident90.5Very high100 Ų10056 Ų5670%0.69931%0.309SS*.Hα-helixtrans-62.9-23.8179.473.40000113.8E407 R408E407-S411 WeakPolarHBondContact O-CB 3.43Å; E407-S411 PolarHBondContact O-N 3.08Å; R408-S411 PolarHBondContact O-N 3Å; R408-S411 PolarHBondContact O-OG 3.27Å
412M85.3Confident90.5Very high70 Ų7052.8 Ų52.835%0.34529%0.292SS..THydrogen-bonded Turntrans-90.71.9177.2-59.4167.583.600113.1A172 F368 R408 V409 S410 M414A172-M412 HydrophobicContact CB-CE 3.24Å; F368-M412 HydrophobicContact CB-CE 4.3Å; F368-M412 HydrophobicContact CB-SD 3.59Å; F368-M412 VanDerWaalsContact CB-SD 3.59Å; F368-M412 HydrophobicContact CD1-CE 3.76Å; F368-M412 HydrophobicContact CD1-SD 3.71Å; F368-M412 HydrophobicContact CD2-SD 4.36Å; F368-M412 HydrophobicContact CE1-CE 4.5Å; F368-M412 HydrophobicContact CG-CE 4.25Å; F368-M412 HydrophobicContact CG-SD 3.62Å; R408-M412 WeakPolarHBondContact O-CG 3.25Å; R408-M412 PolarHBondContact O-N 3.03Å; V409-M412 PolarHBondContact O-N 3.48Å; S410-M412 PolarHBondContact O-N 3.37Å; M412-M414 VanDerWaalsContact C-N 3.26Å; M412-M414 HydrophobicContact CB-CE 3.46Å; M412-M414 VanDerWaalsContact CB-CE 3.46Å; M412-M414 HydrophobicContact CB-CG 4.46Å; M412-M414 HydrophobicContact CE-CE 3.2Å; M412-M414 HydrophobicContact CG-CE 4.1Å; M412-M414 PolarHBondContact O-N 2.96Å; M412-M414 HydrophobicContact SD-CE 3.61Å
413G84.3Confident90.4Very high70 Ų7051 Ų5172%0.72229%0.287SS*.THydrogen-bonded Turntrans71.416-176.900000114.5S410S410-G413 PolarHBondContact O-N 3.32Å
414M82.8Confident90.5Very high22 Ų2248.7 Ų48.711%0.10827%0.272CS..  trans-106.112.6-173.3-70.2-170.4-81.600114.2A172 V409 M412 H416 Q417 L418A172-M414 HydrophobicContact CB-CE 3.73Å; V409-M414 HydrophobicContact CG1-CB 4.5Å; V409-M414 PolarHBondContact O-N 2.99Å; V409-M414 VanDerWaalsContact O-N 3.14Å; M412-M414 VanDerWaalsContact C-N 3.26Å; M412-M414 HydrophobicContact CB-CE 3.46Å; M412-M414 VanDerWaalsContact CB-CE 3.46Å; M412-M414 HydrophobicContact CB-CG 4.46Å; M412-M414 HydrophobicContact CE-CE 3.2Å; M412-M414 HydrophobicContact CG-CE 4.1Å; M412-M414 PolarHBondContact O-N 2.96Å; M412-M414 HydrophobicContact SD-CE 3.61Å; M414-H416 VanDerWaalsContact C-N 3.32Å; M414-H416 PolarHBondContact O-N 3.47Å; M414-Q417 PolarHBondContact O-N 3.22Å; M414-L418 HydrophobicContact CB-CD1 3.94Å; M414-L418 HydrophobicContact CB-CG 4.29Å; M414-L418 HydrophobicContact CE-CD1 4.27Å; M414-L418 PolarHBondContact O-N 2.93Å; M414-L418 HydrophobicContact SD-CD1 3.95Å
415A82.5Confident90.6Very high35 Ų3548.4 Ų48.429%0.28927%0.268SS..Hα-helixtrans-50.9-47-177.700000113.3Q417 Q419A415-Q417 VanDerWaalsContact C-N 3.25Å; A415-Q417 PolarHBondContact O-N 3.42Å; A415-Q419 WeakPolarHBondContact O-CB 3.31Å; A415-Q419 PolarHBondContact O-N 3.28Å
416H82.2Confident90.7Very high153 Ų15353 Ų5371%0.70829%0.288SS*.Hα-helixtrans-64.4-27.1-179.9-178.1-100.5000113.8R207 M414R207-H416 PolarHBondContact NH1-CE1 2.92Å; M414-H416 VanDerWaalsContact C-N 3.32Å; M414-H416 PolarHBondContact O-N 3.47Å
417Q85.1Confident90.7Very high69 Ų6961 Ų6132%0.32232%0.317SS..Hα-helixtrans-92.8-30.8-176.4-64.3168.70.200112.8T167 M414 A415 W420T167-Q417 VanDerWaalsContact O-CD 3.3Å; T167-Q417 PolarHBondContact O-OE1 3.21Å; M414-Q417 PolarHBondContact O-N 3.22Å; A415-Q417 VanDerWaalsContact C-N 3.25Å; A415-Q417 PolarHBondContact O-N 3.42Å; Q417-W420 PolarHBondContact O-NE1 3.34Å
418L91.4Very high90.6Very high1 Ų158.5 Ų58.51%0.00532%0.324CS..Hα-helixtrans-118.19.4-169.7-64.7-179.6000113.8N168 L217 F368 V409 M414 W420 Y421 A422N168-L418 HydrophobicContact CB-CD2 3.87Å; N168-L418 HydrophobicContact CB-CG 4.46Å; L217-L418 HydrophobicContact CD1-CD2 3.7Å; F368-L418 HydrophobicContact CE1-CD1 4.41Å; F368-L418 HydrophobicContact CE2-CD1 4.46Å; F368-L418 HydrophobicContact CZ-CD1 3.84Å; V409-L418 HydrophobicContact CG1-CB 3.68Å; V409-L418 HydrophobicContact CG2-CB 4.08Å; V409-L418 HydrophobicContact CG2-CD1 4.3Å; M414-L418 HydrophobicContact CB-CD1 3.94Å; M414-L418 HydrophobicContact CB-CG 4.29Å; M414-L418 HydrophobicContact CE-CD1 4.27Å; M414-L418 PolarHBondContact O-N 2.93Å; M414-L418 HydrophobicContact SD-CD1 3.95Å; L418-W420 VanDerWaalsContact C-N 3.25Å; L418-W420 PolarHBondContact O-N 2.76Å; L418-Y421 WeakPolarHBondContact O-CB 3.34Å; L418-Y421 PolarHBondContact O-N 2.93Å; L418-A422 PolarHBondContact O-N 2.85Å; L418-A422 VanDerWaalsContact O-N 3.1Å
419Q91.7Very high90.8Very high65 Ų6557.6 Ų57.630%0.30432%0.321SS..Hα-helixtrans-56.9-40.6175.6-172.556.555.400112.1A415 Y421 A422 D423A415-Q419 WeakPolarHBondContact O-CB 3.31Å; A415-Q419 PolarHBondContact O-N 3.28Å; Q419-Y421 PolarHBondContact O-N 3.43Å; Q419-A422 PolarHBondContact O-N 2.85Å; Q419-D423 PolarHBondContact NE2-OD1 3.37Å; Q419-D423 WeakPolarHBondContact O-CB 3.45Å; Q419-D423 PolarHBondContact O-N 3.39Å
420W94Very high91.2Very high89 Ų8958.6 Ų58.634%0.33733%0.329SS..Hα-helixtrans-59.1-35.9176.469.3-90.6000112.3L217 A221 Q417 L418 D423 L424L217-W420 HydrophobicContact CB-CH2 3.95Å; L217-W420 HydrophobicContact CB-CZ2 4.29Å; L217-W420 WeakPolarHBondContact O-CH2 3.28Å; A221-W420 HydrophobicContact CB-CZ3 4.07Å; Q417-W420 PolarHBondContact O-NE1 3.34Å; L418-W420 VanDerWaalsContact C-N 3.25Å; L418-W420 PolarHBondContact O-N 2.76Å; W420-D423 PolarHBondContact O-N 2.8Å; W420-L424 HydrophobicContact CZ3-CD1 4.31Å; W420-L424 PolarHBondContact O-N 2.75Å
421Y95.2Very high91.5Very high0 Ų058 Ų580%032%0.321CS..Hα-helixtrans-72.8-39.2179.7177.4-104.1000111.4L217 E220 F368 Y369 I405 L418 Q419 D423 L424 R425L217-Y421 HydrophobicContact CB-CD2 3.89Å; L217-Y421 HydrophobicContact CB-CE2 4Å; L217-Y421 HydrophobicContact CD2-CD1 4.47Å; L217-Y421 HydrophobicContact CD2-CD2 4.04Å; L217-Y421 HydrophobicContact CD2-CE1 4.01Å; L217-Y421 HydrophobicContact CD2-CE2 3.52Å; L217-Y421 HydrophobicContact CD2-CG 4.48Å; L217-Y421 VanDerWaalsContact CD2-CZ 3.49Å; L217-Y421 HydrophobicContact CG-CD2 4.41Å; L217-Y421 HydrophobicContact CG-CE2 4.3Å; E220-Y421 HydrophobicContact CB-CE2 4.17Å; E220-Y421 VanDerWaalsContact CD-CE2 3.47Å; E220-Y421 HydrophobicContact CG-CE2 4.39Å; E220-Y421 WeakPolarHBondContact OE1-CE2 3.48Å; E220-Y421 PolarHBondContact OE1-OH 3.34Å; E220-Y421 VanDerWaalsContact OE2-CE2 3.31Å; E220-Y421 WeakPolarHBondContact OE2-CE2 3.28Å; E220-Y421 PolarHBondContact OE2-OH 2.75Å; F368-Y421 HydrophobicContact CE2-CD1 4.26Å; F368-Y421 AromaticContact CE2-CE1 3.94Å; F368-Y421 HydrophobicContact CE2-CE1 3.94Å; F368-Y421 HydrophobicContact CZ-CE1 4.28Å; Y369-Y421 WeakPolarHBondContact CB-OH 3.18Å; I405-Y421 HydrophobicContact CD1-CE1 4.18Å; I405-Y421 HydrophobicContact CG1-CD1 4.4Å; I405-Y421 HydrophobicContact CG1-CE1 4.12Å; L418-Y421 WeakPolarHBondContact O-CB 3.34Å; L418-Y421 PolarHBondContact O-N 2.93Å; Q419-Y421 PolarHBondContact O-N 3.43Å; Y421-D423 VanDerWaalsContact C-N 3.34Å; Y421-L424 HydrophobicContact CD2-CD1 3.82Å; Y421-L424 HydrophobicContact CE2-CD1 4.29Å; Y421-L424 WeakPolarHBondContact O-CB 3.22Å; Y421-L424 WeakPolarHBondContact O-CG 3.49Å; Y421-L424 PolarHBondContact O-N 2.83Å; Y421-R425 VanDerWaalsContact CE2-NH1 3.3Å; Y421-R425 VanDerWaalsContact CZ-NH1 3.27Å; Y421-R425 PolarHBondContact O-NH1 2.84Å; Y421-R425 PolarHBondContact OH-NH2 3.12Å
422A95.2Very high91.9Very high0 Ų053.4 Ų53.40%029%0.288CS..Hα-helixtrans-63.5-42169.900000111.1Y402 I405 L418 Q419 L424 R425Y402-A422 HydrophobicContact CD2-CB 4.42Å; Y402-A422 WeakPolarHBondContact CD2-O 3.4Å; Y402-A422 HydrophobicContact CE2-CB 4.08Å; I405-A422 HydrophobicContact CG2-CB 3.97Å; L418-A422 PolarHBondContact O-N 2.85Å; L418-A422 VanDerWaalsContact O-N 3.1Å; Q419-A422 PolarHBondContact O-N 2.85Å; A422-L424 PolarHBondContact O-N 3.06Å; A422-R425 WeakPolarHBondContact O-CB 3.23Å; A422-R425 PolarHBondContact O-N 3.48Å
423D95.3Very high92.5Very high38 Ų3850 Ų5020%0.20327%0.272CS..Hα-helixtrans-63.7-22.9-179-74.3-12.5000113.5Q419 W420 Y421 R425 K426 Y427Q419-D423 PolarHBondContact NE2-OD1 3.37Å; Q419-D423 WeakPolarHBondContact O-CB 3.45Å; Q419-D423 PolarHBondContact O-N 3.39Å; W420-D423 PolarHBondContact O-N 2.8Å; Y421-D423 VanDerWaalsContact C-N 3.34Å; D423-R425 PolarHBondContact O-N 3.35Å; D423-R425 VanDerWaalsContact O-N 3.08Å; D423-K426 HydrophobicContact CB-CD 4.46Å; D423-K426 WeakPolarHBondContact O-CB 3.33Å; D423-K426 PolarHBondContact O-N 2.93Å; D423-K426 WeakPolarHBondContact OD1-CE 3.36Å; D423-K426 IonicContact OD1-NZ 3.44Å; D423-K426 PolarHBondContact OD1-NZ 3.13Å; D423-Y427 HydrophobicContact CB-CE2 4.19Å; D423-Y427 WeakPolarHBondContact O-CD2 3.5Å; D423-Y427 WeakPolarHBondContact O-CE2 3.47Å
424L97.1Very high93.2Very high29 Ų2946.7 Ų46.715%0.15224%0.237CC..G310 helixtrans-49.2-37.9169.7-61.1179.8000111.3E220 A221 W420 Y421 A422 K426 Y427 Y429E220-L424 HydrophobicContact CB-CD1 4.45Å; A221-L424 HydrophobicContact CB-CD1 4.05Å; A221-L424 HydrophobicContact CB-CD2 3.89Å; W420-L424 HydrophobicContact CZ3-CD1 4.31Å; W420-L424 PolarHBondContact O-N 2.75Å; Y421-L424 HydrophobicContact CD2-CD1 3.82Å; Y421-L424 HydrophobicContact CE2-CD1 4.29Å; Y421-L424 WeakPolarHBondContact O-CB 3.22Å; Y421-L424 WeakPolarHBondContact O-CG 3.49Å; Y421-L424 PolarHBondContact O-N 2.83Å; A422-L424 PolarHBondContact O-N 3.06Å; L424-K426 PolarHBondContact O-N 3.01Å; L424-Y427 PolarHBondContact O-N 3.44Å; L424-Y429 HydrophobicContact CB-CD2 3.77Å; L424-Y429 HydrophobicContact CB-CE2 4Å; L424-Y429 HydrophobicContact CD1-CE2 4.48Å; L424-Y429 WeakPolarHBondContact O-CB 3.24Å
425R97.4Very high94Very high20 Ų2045.8 Ų45.88%0.07523%0.233CC..G310 helixtrans-68.8-15.6-178.5-74.664.9177172.68.7113.6E220 E399 T400 Y402 I405 Y421 A422 D423 Y429E220-R425 IonicContact OE2-CZ 3.5Å; E220-R425 IonicContact OE2-NH1 2.91Å; E220-R425 IonicContact OE2-NH2 2.72Å; E220-R425 PolarHBondContact OE2-NH2 3.46Å; E399-R425 PolarHBondContact O-NE 3.45Å; E399-R425 PolarHBondContact O-NH2 3.28Å; E399-R425 VanDerWaalsContact O-NH2 3.11Å; T400-R425 WeakPolarHBondContact O-CG 3.48Å; Y402-R425 HydrophobicContact CD2-CB 4.5Å; I405-R425 HydrophobicContact CG2-CG 4.4Å; Y421-R425 VanDerWaalsContact CE2-NH1 3.3Å; Y421-R425 VanDerWaalsContact CZ-NH1 3.27Å; Y421-R425 PolarHBondContact O-NH1 2.84Å; Y421-R425 PolarHBondContact OH-NH2 3.12Å; A422-R425 WeakPolarHBondContact O-CB 3.23Å; A422-R425 PolarHBondContact O-N 3.48Å; D423-R425 PolarHBondContact O-N 3.35Å; D423-R425 VanDerWaalsContact O-N 3.08Å; R425-Y429 HydrophobicContact CG-CD1 4.02Å; R425-Y429 HydrophobicContact CG-CD2 4.31Å; R425-Y429 HydrophobicContact CG-CE1 4.42Å; R425-Y429 HydrophobicContact CG-CG 3.98Å; R425-Y429 VanDerWaalsContact NH2-CZ 3.32Å; R425-Y429 PolarHBondContact NH2-OH 2.83Å
426K95.9Very high94.7Very high96 Ų9645 Ų4542%0.41723%0.228SC..G310 helixtrans-82.8-24.5179.1-65.6176.2173158.50113.6Y402 D423 L424Y402-K426 HydrophobicContact CD2-CG 4.03Å; Y402-K426 HydrophobicContact CE2-CD 4.25Å; Y402-K426 HydrophobicContact CE2-CG 4.24Å; Y402-K426 HydrophobicContact CG-CG 4.35Å; Y402-K426 VanDerWaalsContact OH-CE 3.31Å; Y402-K426 WeakPolarHBondContact OH-CE 3.39Å; Y402-K426 PolarHBondContact OH-NZ 3Å; D423-K426 HydrophobicContact CB-CD 4.46Å; D423-K426 WeakPolarHBondContact O-CB 3.33Å; D423-K426 PolarHBondContact O-N 2.93Å; D423-K426 WeakPolarHBondContact OD1-CE 3.36Å; D423-K426 IonicContact OD1-NZ 3.44Å; D423-K426 PolarHBondContact OD1-NZ 3.13Å; L424-K426 PolarHBondContact O-N 3.01Å
427Y94.4Very high95.5Very high184 Ų18437.7 Ų37.772%0.72219%0.194SC*.SBendtrans-116.454.2-165-53-65.2000112.4D423 L424D423-Y427 HydrophobicContact CB-CE2 4.19Å; D423-Y427 WeakPolarHBondContact O-CD2 3.5Å; D423-Y427 WeakPolarHBondContact O-CE2 3.47Å; L424-Y427 PolarHBondContact O-N 3.44Å
428G93.1Very high96.1Very high72 Ų7235 Ų3574%0.74218%0.184SC*.  trans77.439.5176.100000114.2A430G428-A430 PolarHBondContact O-N 3.39Å
429Y96.3Very high96.5Very high29 Ų2934.9 Ų34.911%0.11418%0.184CC..  trans-68.5115.1178.5-165-91.8000111.6E220 C224 T400 L424 R425 L432E220-Y429 PolarHBondContact OE2-OH 3.37Å; C224-Y429 VanDerWaalsContact SG-CD2 3.57Å; T400-Y429 HydrophobicContact CG2-CD1 4.22Å; T400-Y429 HydrophobicContact CG2-CE1 4.07Å; L424-Y429 HydrophobicContact CB-CD2 3.77Å; L424-Y429 HydrophobicContact CB-CE2 4Å; L424-Y429 HydrophobicContact CD1-CE2 4.48Å; L424-Y429 WeakPolarHBondContact O-CB 3.24Å; R425-Y429 HydrophobicContact CG-CD1 4.02Å; R425-Y429 HydrophobicContact CG-CD2 4.31Å; R425-Y429 HydrophobicContact CG-CE1 4.42Å; R425-Y429 HydrophobicContact CG-CG 3.98Å; R425-Y429 VanDerWaalsContact NH2-CZ 3.32Å; R425-Y429 PolarHBondContact NH2-OH 2.83Å; Y429-L432 HydrophobicContact CD1-CD1 4.47Å; Y429-L432 HydrophobicContact CE1-CB 4.32Å; Y429-L432 HydrophobicContact CE1-CD1 4.08Å; Y429-L432 HydrophobicContact CE2-CD1 4.37Å; Y429-L432 HydrophobicContact CE2-CD2 4.06Å
430A96.1Very high96.8Very high21 Ų2132 Ų3217%0.17417%0.17CC..  trans-71.7170.4173.600000111.3A258 F259 G428 L432A258-A430 HydrophobicContact CB-CB 4.39Å; F259-A430 HydrophobicContact CD1-CB 3.86Å; F259-A430 HydrophobicContact CE1-CB 3.82Å; F259-A430 HydrophobicContact CG-CB 4.31Å; F259-A430 HydrophobicContact CZ-CB 4.23Å; G428-A430 PolarHBondContact O-N 3.39Å; A430-L432 HydrophobicContact CB-CD1 3.97Å; A430-L432 WeakPolarHBondContact O-CD1 3.47Å; A430-L432 PolarHBondContact O-N 3.08Å
431N97Very high97Very high56 Ų5629.4 Ų29.430%0.29916%0.161SC..  trans-64.6118.9163.3-68.8-61.3000108.5A258 F259 C260 N261 T400A258-N431 CarbonylContact C-O 3.58Å; F259-N431 CarbonylContact C-O 3.59Å; F259-N431 VanDerWaalsContact CA-O 3.26Å; F259-N431 WeakPolarHBondContact CA-O 3.4Å; F259-N431 PolarHBondContact N-O 3.21Å; C260-N431 PolarHBondContact N-O 2.75Å; C260-N431 WeakPolarHBondContact O-CB 3.48Å; N261-N431 WeakPolarHBondContact OD1-CB 3.47Å; N261-N431 PolarHBondContact OD1-ND2 3.33Å; T400-N431 WeakPolarHBondContact CG2-OD1 3.37Å
432L97.9Very high97.1Very high2 Ų229.4 Ų29.41%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-109152.4178.5-89.168.5000110.9E220 A223 L257 A258 R398 Y429 A430E220-L432 HydrophobicContact CB-CD2 4.1Å; E220-L432 HydrophobicContact CG-CD2 4.16Å; A223-L432 HydrophobicContact CB-CD2 3.67Å; A223-L432 HydrophobicContact CB-CG 4.39Å; L257-L432 WeakPolarHBondContact O-CA 3.3Å; A258-L432 HydrophobicContact CB-CD1 4.3Å; R398-L432 HydrophobicContact CB-CB 4.14Å; R398-L432 HydrophobicContact CG-CB 3.85Å; R398-L432 PolarHBondContact N-O 2.84Å; Y429-L432 HydrophobicContact CD1-CD1 4.47Å; Y429-L432 HydrophobicContact CE1-CB 4.32Å; Y429-L432 HydrophobicContact CE1-CD1 4.08Å; Y429-L432 HydrophobicContact CE2-CD1 4.37Å; Y429-L432 HydrophobicContact CE2-CD2 4.06Å; A430-L432 HydrophobicContact CB-CD1 3.97Å; A430-L432 WeakPolarHBondContact O-CD1 3.47Å; A430-L432 PolarHBondContact O-N 3.08Å
433G98.4Very high97.2Very high0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-153.5143.9173.100000110.5L257 S396L257-G433 PolarHBondContact N-O 3.36Å; L257-G433 PolarHBondContact O-N 3.09Å; L257-G433 VanDerWaalsContact O-N 3.13Å; S396-G433 WeakPolarHBondContact O-CA 3.4Å
434G98.6Very high97.3Very high0 Ų027.8 Ų27.80%015%0.152CC..EExtended strand (participates in β ladder)trans-159.8176.6-175.400000113.5V255 E256 G395 S396 R398V255-G434 CarbonylContact O-C 3.59Å; V255-G434 WeakPolarHBondContact O-CA 3.33Å; E256-G434 PolarHBondContact OE2-N 2.91Å; G395-G434 CarbonylContact C-O 3.55Å; G395-G434 WeakPolarHBondContact CA-O 3.31Å; S396-G434 PolarHBondContact N-O 2.94Å; S396-G434 PolarHBondContact O-N 3.31Å; R398-G434 VanDerWaalsContact NH2-CA 3.29Å; R398-G434 PolarHBondContact NH2-O 3.44Å
435F98.7Very high97.3Very high2 Ų226.5 Ų26.51%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-153.9159.8179.660-99.9000111.7E254 V255 L269 V270 I273 F382 C393 G394E254-F435 CarbonylContact C-O 3.56Å; E254-F435 VanDerWaalsContact CA-O 3.28Å; E254-F435 WeakPolarHBondContact CA-O 3.49Å; V255-F435 HydrophobicContact CB-CD1 4.38Å; V255-F435 HydrophobicContact CB-CD2 4.47Å; V255-F435 HydrophobicContact CB-CE1 3.92Å; V255-F435 HydrophobicContact CB-CE2 4Å; V255-F435 HydrophobicContact CB-CZ 3.69Å; V255-F435 HydrophobicContact CG1-CE1 4.24Å; V255-F435 HydrophobicContact CG1-CZ 4.27Å; V255-F435 HydrophobicContact CG2-CE1 4.26Å; V255-F435 HydrophobicContact CG2-CE2 3.68Å; V255-F435 HydrophobicContact CG2-CZ 3.53Å; V255-F435 PolarHBondContact N-O 2.95Å; V255-F435 PolarHBondContact O-N 2.91Å; V255-F435 VanDerWaalsContact O-N 3.08Å; L269-F435 HydrophobicContact CB-CE1 4.2Å; L269-F435 HydrophobicContact CD2-CE1 3.83Å; L269-F435 HydrophobicContact CD2-CZ 4.13Å; L269-F435 HydrophobicContact CG-CE1 3.9Å; L269-F435 HydrophobicContact CG-CZ 4.01Å; V270-F435 HydrophobicContact CG2-CB 4.47Å; V270-F435 HydrophobicContact CG2-CD1 3.57Å; V270-F435 HydrophobicContact CG2-CD2 3.9Å; V270-F435 HydrophobicContact CG2-CE1 3.62Å; V270-F435 HydrophobicContact CG2-CE2 3.96Å; V270-F435 HydrophobicContact CG2-CG 3.71Å; V270-F435 HydrophobicContact CG2-CZ 3.82Å; I273-F435 HydrophobicContact CD1-CE2 3.97Å; I273-F435 HydrophobicContact CD1-CZ 3.56Å; F382-F435 HydrophobicContact CE1-CB 4.39Å; F382-F435 HydrophobicContact CZ-CB 3.74Å; F382-F435 HydrophobicContact CZ-CD1 4.37Å; F382-F435 HydrophobicContact CZ-CG 4.29Å; C393-F435 VanDerWaalsContact SG-CD2 3.54Å; G394-F435 CarbonylContact O-C 3.57Å; G394-F435 VanDerWaalsContact O-CA 3.29Å; G394-F435 WeakPolarHBondContact O-CA 3.3Å; G394-F435 WeakPolarHBondContact O-CB 3.38Å
436G98.4Very high97.3Very high18 Ų1825.5 Ų25.519%0.18614%0.141CC..EExtended strand (participates in β ladder)trans-116.9131.6168.800000110.5C393 G394C393-G436 WeakPolarHBondContact CA-O 3.31Å; C393-G436 PolarHBondContact SG-O 2.82Å; G394-G436 PolarHBondContact N-O 3.06Å; G394-G436 VanDerWaalsContact N-O 3.09Å; G394-G436 PolarHBondContact O-N 2.88Å
437L98.5Very high97.3Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-119.5122.6177.7-179155.6000109.5L253 I273 L392 C393 F439 L442L253-L437 HydrophobicContact CB-CB 4.45Å; L253-L437 HydrophobicContact CD2-CD2 4.48Å; L253-L437 PolarHBondContact N-O 3.44Å; L253-L437 PolarHBondContact O-N 2.98Å; I273-L437 HydrophobicContact CG2-CD1 4.2Å; L392-L437 HydrophobicContact CD1-CG 4.42Å; L392-L437 HydrophobicContact CG-CG 4.43Å; C393-L437 HydrophobicContact CB-CB 4.26Å; C393-L437 HydrophobicContact CB-CD1 4.4Å; C393-L437 HydrophobicContact CB-CG 4.37Å; L437-F439 PolarHBondContact O-N 3.21Å; L437-L442 HydrophobicContact CD2-CB 3.91Å; L437-L442 HydrophobicContact CD2-CD2 4.07Å; L437-L442 HydrophobicContact CD2-CG 4.45Å
438G97.9Very high97.3Very high12 Ų1213 Ų1312%0.1249%0.094CC..EExtended strand (participates in β ladder)trans-74.1113178.500000111.1L392 E440 R441 L442L392-G438 PolarHBondContact O-N 3.22Å; G438-E440 PolarHBondContact O-N 2.93Å; G438-R441 CarbonylContact O-C 3.44Å; G438-R441 WeakPolarHBondContact O-CB 3.39Å; G438-R441 PolarHBondContact O-N 3.38Å; G438-R441 VanDerWaalsContact O-N 3.11Å; G438-L442 PolarHBondContact O-N 3.4Å
439F98.4Very high97.5Very high0 Ų09.6 Ų9.60%06%0.059CC..Hα-helixtrans-66.6-40.1-173.2-179.8-127.2000112.7R141 M144 K145 L148 F232 Q251 L437 R441 L442 L443R141-F439 HydrophobicContact CG-CE1 3.9Å; R141-F439 HydrophobicContact CG-CZ 4.29Å; M144-F439 HydrophobicContact CB-CE2 4.32Å; M144-F439 HydrophobicContact CB-CZ 4.32Å; M144-F439 HydrophobicContact CG-CE2 3.9Å; M144-F439 HydrophobicContact CG-CZ 4.41Å; K145-F439 HydrophobicContact CB-CE1 4.13Å; K145-F439 HydrophobicContact CB-CZ 3.82Å; L148-F439 HydrophobicContact CD1-CD2 3.98Å; L148-F439 HydrophobicContact CD1-CE2 3.8Å; F232-F439 HydrophobicContact CE2-CB 3.86Å; F232-F439 AromaticContact CE2-CD1 3.92Å; F232-F439 HydrophobicContact CE2-CD1 3.92Å; F232-F439 HydrophobicContact CE2-CD2 4.3Å; F232-F439 AromaticContact CE2-CG 3.77Å; F232-F439 HydrophobicContact CE2-CG 3.77Å; F232-F439 HydrophobicContact CZ-CB 4.07Å; F232-F439 AromaticContact CZ-CD1 3.79Å; F232-F439 HydrophobicContact CZ-CD1 3.79Å; F232-F439 AromaticContact CZ-CD2 3.64Å; F232-F439 HydrophobicContact CZ-CD2 3.64Å; F232-F439 HydrophobicContact CZ-CE1 4.07Å; F232-F439 AromaticContact CZ-CE2 3.95Å; F232-F439 HydrophobicContact CZ-CE2 3.95Å; F232-F439 AromaticContact CZ-CG 3.55Å; F232-F439 HydrophobicContact CZ-CG 3.55Å; F232-F439 HydrophobicContact CZ-CZ 4.15Å; Q251-F439 HydrophobicContact CB-CB 3.95Å; Q251-F439 HydrophobicContact CB-CD1 4.15Å; Q251-F439 WeakPolarHBondContact O-CB 3.42Å; Q251-F439 PolarHBondContact O-N 3.23Å; L437-F439 PolarHBondContact O-N 3.21Å; F439-R441 VanDerWaalsContact C-N 3.27Å; F439-R441 PolarHBondContact O-N 3.08Å; F439-L442 HydrophobicContact CD2-CD2 4.39Å; F439-L442 WeakPolarHBondContact O-CB 3.48Å; F439-L442 PolarHBondContact O-N 3.22Å; F439-L443 HydrophobicContact CD1-CD1 4.45Å; F439-L443 HydrophobicContact CE1-CD1 3.97Å; F439-L443 HydrophobicContact CE2-CD1 4.32Å; F439-L443 HydrophobicContact CE2-CD2 4.34Å; F439-L443 HydrophobicContact CE2-CG 4.21Å; F439-L443 HydrophobicContact CZ-CD1 3.89Å; F439-L443 HydrophobicContact CZ-CD2 4.42Å; F439-L443 HydrophobicContact CZ-CG 4.27Å; F439-L443 PolarHBondContact O-N 2.91Å
440E98.2Very high97.4Very high3 Ų314.3 Ų14.31%0.0148%0.082CC..Hα-helixtrans-61.9-38.1173.1-72.867.2-144.300111.4R141 L247 F250 Q251 G438 L443 Q444 I452 C455 V456R141-E440 IonicContact CZ-OE1 2.71Å; R141-E440 IonicContact NH1-OE1 2.64Å; R141-E440 PolarHBondContact NH1-OE1 2.92Å; R141-E440 IonicContact NH2-OE1 3.78Å; R141-E440 PolarHBondContact NH2-OE1 3.32Å; L247-E440 HydrophobicContact CD1-CB 4.26Å; L247-E440 HydrophobicContact CD1-CG 3.8Å; F250-E440 WeakPolarHBondContact CB-OE2 3.41Å; Q251-E440 PolarHBondContact N-OE2 3.48Å; G438-E440 PolarHBondContact O-N 2.93Å; E440-L443 PolarHBondContact O-N 3.37Å; E440-Q444 VanDerWaalsContact O-CB 3.28Å; E440-Q444 WeakPolarHBondContact O-CB 3.2Å; E440-Q444 PolarHBondContact O-N 2.88Å; E440-I452 HydrophobicContact CB-CD1 3.92Å; E440-I452 HydrophobicContact CB-CG1 3.73Å; E440-C455 HydrophobicContact CB-CB 4.14Å; E440-C455 HydrophobicContact CG-CB 4.4Å; E440-V456 HydrophobicContact CG-CB 4.19Å
441R97.8Very high97.3Very high36 Ų3614 Ų1414%0.1368%0.077CC..Hα-helixtrans-68.1-35.7176.8-68.9-174.795.7-179.3-4.1111.7V389 E391 L392 G438 F439 Q444 F445 I452V389-R441 HydrophobicContact CG1-CB 3.83Å; V389-R441 HydrophobicContact CG1-CG 4.05Å; V389-R441 PolarHBondContact O-NH2 2.77Å; E391-R441 PolarHBondContact O-NE 2.98Å; E391-R441 VanDerWaalsContact O-NE 3.12Å; E391-R441 PolarHBondContact O-NH1 3.11Å; E391-R441 PolarHBondContact O-NH2 2.83Å; L392-R441 HydrophobicContact CD1-CB 3.96Å; G438-R441 CarbonylContact O-C 3.44Å; G438-R441 WeakPolarHBondContact O-CB 3.39Å; G438-R441 PolarHBondContact O-N 3.38Å; G438-R441 VanDerWaalsContact O-N 3.11Å; F439-R441 VanDerWaalsContact C-N 3.27Å; F439-R441 PolarHBondContact O-N 3.08Å; R441-Q444 WeakPolarHBondContact O-CB 3.33Å; R441-Q444 PolarHBondContact O-N 3.02Å; R441-F445 WeakPolarHBondContact O-CB 3.44Å; R441-F445 PolarHBondContact O-N 3.45Å; R441-I452 HydrophobicContact CG-CD1 3.73Å
442L98.1Very high97.3Very high0 Ų011.7 Ų11.70%07%0.065CC..Hα-helixtrans-61.1-49.4171.8-179.565.6000111.2L148 L392 L437 G438 F439 Q444 F445 L446L148-L442 HydrophobicContact CD1-CD2 4.12Å; L392-L442 HydrophobicContact CD1-CB 3.96Å; L392-L442 HydrophobicContact CD1-CD1 4.45Å; L392-L442 VanDerWaalsContact CD1-N 3.31Å; L392-L442 HydrophobicContact CD2-CD1 4.1Å; L437-L442 HydrophobicContact CD2-CB 3.91Å; L437-L442 HydrophobicContact CD2-CD2 4.07Å; L437-L442 HydrophobicContact CD2-CG 4.45Å; G438-L442 PolarHBondContact O-N 3.4Å; F439-L442 HydrophobicContact CD2-CD2 4.39Å; F439-L442 WeakPolarHBondContact O-CB 3.48Å; F439-L442 PolarHBondContact O-N 3.22Å; L442-Q444 VanDerWaalsContact C-N 3.31Å; L442-Q444 PolarHBondContact O-N 3.03Å; L442-F445 PolarHBondContact O-N 3.08Å; L442-L446 HydrophobicContact CD1-CD1 3.87Å; L442-L446 HydrophobicContact CD1-CG 4.09Å; L442-L446 HydrophobicContact CD2-CD1 4.44Å; L442-L446 HydrophobicContact CG-CD1 3.79Å; L442-L446 HydrophobicContact CG-CG 4.35Å; L442-L446 WeakPolarHBondContact O-CB 3.29Å; L442-L446 VanDerWaalsContact O-CG 3.25Å; L442-L446 WeakPolarHBondContact O-CG 3.31Å; L442-L446 PolarHBondContact O-N 3.21Å
443L97.6Very high97.2Very high1 Ų112.1 Ų12.11%0.0057%0.066CC..Hα-helixtrans-64.3-39.2177.3-65.1176.2000111.7F137 R141 M144 F439 E440 F445 L447 C455F137-L443 HydrophobicContact CE2-CB 4.4Å; F137-L443 HydrophobicContact CE2-CD1 4.14Å; F137-L443 HydrophobicContact CZ-CD1 3.99Å; R141-L443 HydrophobicContact CB-CD1 3.86Å; R141-L443 HydrophobicContact CG-CD1 3.71Å; M144-L443 HydrophobicContact CB-CD2 4.12Å; M144-L443 HydrophobicContact CG-CD2 4.06Å; F439-L443 HydrophobicContact CD1-CD1 4.45Å; F439-L443 HydrophobicContact CE1-CD1 3.97Å; F439-L443 HydrophobicContact CE2-CD1 4.32Å; F439-L443 HydrophobicContact CE2-CD2 4.34Å; F439-L443 HydrophobicContact CE2-CG 4.21Å; F439-L443 HydrophobicContact CZ-CD1 3.89Å; F439-L443 HydrophobicContact CZ-CD2 4.42Å; F439-L443 HydrophobicContact CZ-CG 4.27Å; F439-L443 PolarHBondContact O-N 2.91Å; E440-L443 PolarHBondContact O-N 3.37Å; L443-F445 VanDerWaalsContact C-N 3.31Å; L443-F445 PolarHBondContact O-N 3.13Å; L443-L447 VanDerWaalsContact O-CB 3.29Å; L443-L447 WeakPolarHBondContact O-CB 3.42Å; L443-L447 WeakPolarHBondContact O-CG 3.36Å; L443-L447 PolarHBondContact O-N 3.19Å; L443-C455 HydrophobicContact CB-CB 4.49Å
444Q97.3Very high97.1Very high3 Ų312.6 Ų12.61%0.0147%0.069CC..Hα-helixtrans-56.8-47.5175.3-166.6-17919.100111R244 V389 E440 R441 L442 A448 I449 E450R244-Q444 PolarHBondContact O-NE2 3.24Å; V389-Q444 HydrophobicContact CG2-CB 3.96Å; V389-Q444 HydrophobicContact CG2-CG 3.9Å; E440-Q444 VanDerWaalsContact O-CB 3.28Å; E440-Q444 WeakPolarHBondContact O-CB 3.2Å; E440-Q444 PolarHBondContact O-N 2.88Å; R441-Q444 WeakPolarHBondContact O-CB 3.33Å; R441-Q444 PolarHBondContact O-N 3.02Å; L442-Q444 VanDerWaalsContact C-N 3.31Å; L442-Q444 PolarHBondContact O-N 3.03Å; Q444-A448 CarbonylContact O-C 3.53Å; Q444-A448 VanDerWaalsContact O-CA 3.24Å; Q444-A448 WeakPolarHBondContact O-CA 3.44Å; Q444-A448 PolarHBondContact O-N 2.74Å; Q444-I449 HydrophobicContact CG-CB 4.5Å; Q444-I449 WeakPolarHBondContact CG-O 3.41Å; Q444-I449 PolarHBondContact NE2-O 3.37Å; Q444-I449 PolarHBondContact O-N 3.24Å; Q444-E450 PolarHBondContact NE2-O 3.25Å
445F97.1Very high97Very high1 Ų112.6 Ų12.60%0.0047%0.069CC..Hα-helixtrans-64.2-56.1177.3167.3-130.8000112.1V274 L303 I307 P355 V386 P387 V389 L392 R441 L442 L443 L447 A448V274-F445 HydrophobicContact CG1-CE1 3.98Å; L303-F445 HydrophobicContact CD2-CE2 4.08Å; I307-F445 HydrophobicContact CD1-CE1 4.06Å; I307-F445 HydrophobicContact CD1-CE2 4.14Å; I307-F445 HydrophobicContact CD1-CZ 3.35Å; P355-F445 HydrophobicContact CG-CE1 4.41Å; P355-F445 HydrophobicContact CG-CZ 3.91Å; V386-F445 HydrophobicContact CB-CD1 4.17Å; V386-F445 HydrophobicContact CB-CD2 3.8Å; V386-F445 HydrophobicContact CB-CE1 4.16Å; V386-F445 HydrophobicContact CB-CE2 3.83Å; V386-F445 HydrophobicContact CB-CG 3.97Å; V386-F445 HydrophobicContact CB-CZ 3.96Å; V386-F445 HydrophobicContact CG1-CD1 4.31Å; V386-F445 HydrophobicContact CG1-CE1 4.12Å; V386-F445 HydrophobicContact CG1-CZ 4.24Å; V386-F445 HydrophobicContact CG2-CB 3.8Å; V386-F445 HydrophobicContact CG2-CD1 4.05Å; V386-F445 HydrophobicContact CG2-CD2 3.71Å; V386-F445 HydrophobicContact CG2-CE2 4.27Å; V386-F445 HydrophobicContact CG2-CG 3.57Å; P387-F445 HydrophobicContact CB-CD2 4.41Å; P387-F445 HydrophobicContact CB-CE2 4.14Å; P387-F445 HydrophobicContact CG-CE2 3.94Å; V389-F445 HydrophobicContact CG2-CB 3.83Å; L392-F445 HydrophobicContact CD2-CD1 4.13Å; R441-F445 WeakPolarHBondContact O-CB 3.44Å; R441-F445 PolarHBondContact O-N 3.45Å; L442-F445 PolarHBondContact O-N 3.08Å; L443-F445 VanDerWaalsContact C-N 3.31Å; L443-F445 PolarHBondContact O-N 3.13Å; F445-L447 VanDerWaalsContact C-N 3.27Å; F445-L447 PolarHBondContact O-N 2.96Å; F445-A448 PolarHBondContact O-N 3.37Å; F445-A448 VanDerWaalsContact O-N 3.11Å
446L96.7Very high96.9Very high0 Ų013.3 Ų13.30%07%0.074CC..Hα-helixtrans-62.5-34.8-173.6-65.9172.6000112.5M144 A278 L281 S300 L304 L442M144-L446 HydrophobicContact CE-CD1 4.18Å; A278-L446 HydrophobicContact CB-CD2 4.27Å; L281-L446 HydrophobicContact CD2-CB 3.79Å; S300-L446 WeakPolarHBondContact CB-O 3.4Å; S300-L446 PolarHBondContact OG-O 2.84Å; L304-L446 HydrophobicContact CD2-CB 4.21Å; L304-L446 HydrophobicContact CD2-CD2 3.49Å; L304-L446 VanDerWaalsContact CD2-CD2 3.49Å; L304-L446 HydrophobicContact CD2-CG 4.46Å; L442-L446 HydrophobicContact CD1-CD1 3.87Å; L442-L446 HydrophobicContact CD1-CG 4.09Å; L442-L446 HydrophobicContact CD2-CD1 4.44Å; L442-L446 HydrophobicContact CG-CD1 3.79Å; L442-L446 HydrophobicContact CG-CG 4.35Å; L442-L446 WeakPolarHBondContact O-CB 3.29Å; L442-L446 VanDerWaalsContact O-CG 3.25Å; L442-L446 WeakPolarHBondContact O-CG 3.31Å; L442-L446 PolarHBondContact O-N 3.21Å
447L96.3Very high96.8Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-95.3-3-179.7-60.4169.3000113.2F137 I140 L281 F289 Q293 T298 L443 F445 I449F137-L447 HydrophobicContact CD2-CD1 3.79Å; F137-L447 HydrophobicContact CE2-CD1 3.93Å; I140-L447 HydrophobicContact CD1-CD2 4.07Å; I140-L447 HydrophobicContact CG2-CD1 4.25Å; L281-L447 HydrophobicContact CD1-CD2 4.27Å; L281-L447 HydrophobicContact CD2-CD2 3.79Å; L281-L447 HydrophobicContact CD2-CG 4.4Å; F289-L447 HydrophobicContact CD2-CD2 3.71Å; F289-L447 HydrophobicContact CE2-CD2 4.01Å; Q293-L447 PolarHBondContact NE2-O 3.34Å; T298-L447 PolarHBondContact OG1-O 3.48Å; L443-L447 VanDerWaalsContact O-CB 3.29Å; L443-L447 WeakPolarHBondContact O-CB 3.42Å; L443-L447 WeakPolarHBondContact O-CG 3.36Å; L443-L447 PolarHBondContact O-N 3.19Å; F445-L447 VanDerWaalsContact C-N 3.27Å; F445-L447 PolarHBondContact O-N 2.96Å; L447-I449 HydrophobicContact CB-CD1 3.8Å; L447-I449 HydrophobicContact CB-CG1 3.75Å; L447-I449 HydrophobicContact CD1-CD1 3.77Å; L447-I449 HydrophobicContact CG-CD1 4.45Å; L447-I449 PolarHBondContact O-N 2.91Å
448A95.9Very high96.6Very high17 Ų1717.6 Ų17.614%0.149%0.091CC..THydrogen-bonded Turntrans52.233.7-17200000113.7T298 Q444 F445 E450T298-A448 HydrophobicContact CG2-CB 4.22Å; T298-A448 WeakPolarHBondContact CG2-O 3.32Å; Q444-A448 CarbonylContact O-C 3.53Å; Q444-A448 VanDerWaalsContact O-CA 3.24Å; Q444-A448 WeakPolarHBondContact O-CA 3.44Å; Q444-A448 PolarHBondContact O-N 2.74Å; F445-A448 PolarHBondContact O-N 3.37Å; F445-A448 VanDerWaalsContact O-N 3.11Å; A448-E450 PolarHBondContact O-N 3.16Å
449I95.9Very high96.5Very high0 Ų017.3 Ų17.30%09%0.087CC..  trans-71.1127.5179.6-68.4171.2000109.4F137 Q444 L447 N451 D454F137-I449 HydrophobicContact CD2-CD1 3.93Å; F137-I449 HydrophobicContact CE2-CD1 4.12Å; Q444-I449 HydrophobicContact CG-CB 4.5Å; Q444-I449 WeakPolarHBondContact CG-O 3.41Å; Q444-I449 PolarHBondContact NE2-O 3.37Å; Q444-I449 PolarHBondContact O-N 3.24Å; L447-I449 HydrophobicContact CB-CD1 3.8Å; L447-I449 HydrophobicContact CB-CG1 3.75Å; L447-I449 HydrophobicContact CD1-CD1 3.77Å; L447-I449 HydrophobicContact CG-CD1 4.45Å; L447-I449 PolarHBondContact O-N 2.91Å; I449-N451 WeakPolarHBondContact CG2-O 3.43Å; I449-N451 PolarHBondContact O-N 2.72Å; I449-D454 HydrophobicContact CG2-CB 3.82Å
450E93.6Very high96.4Very high128 Ų12819.3 Ų19.360%0.59810%0.095SC*.SBendtrans-69.4-32-174.1-169.6-177.5-15800113.7R244 Q444 A448R244-E450 IonicContact CZ-OE1 2.92Å; R244-E450 IonicContact NH1-OE1 3.78Å; R244-E450 PolarHBondContact NH1-OE1 2.88Å; R244-E450 IonicContact NH1-OE2 3.47Å; Q444-E450 PolarHBondContact NE2-O 3.25Å; A448-E450 PolarHBondContact O-N 3.16Å
451N95.6Very high96.1Very high16 Ų1621.2 Ų21.29%0.08610%0.102CC..  trans-123.3118.5-173.8-165.8-30.2000111.4R244 I449 K453 D454R244-N451 HydrophobicContact CB-CB 4.49Å; I449-N451 WeakPolarHBondContact CG2-O 3.43Å; I449-N451 PolarHBondContact O-N 2.72Å; N451-K453 PolarHBondContact O-N 3.43Å; N451-K453 WeakPolarHBondContact OD1-CB 3.16Å; N451-K453 VanDerWaalsContact OD1-CG 3.31Å; N451-K453 WeakPolarHBondContact OD1-CG 3.48Å; N451-K453 PolarHBondContact OD1-N 3.05Å; N451-K453 VanDerWaalsContact OD1-N 3.16Å; N451-D454 WeakPolarHBondContact O-CB 3.09Å; N451-D454 PolarHBondContact O-N 2.81Å
452I96.5Very high95.9Very high6 Ų622.6 Ų22.63%0.03111%0.109CC..G310 helixtrans-56.3-24.6-179-161.8170.7000113.5R244 Q245 L247 E440 R441 D454 C455R244-I452 WeakPolarHBondContact O-CB 3.48Å; R244-I452 VanDerWaalsContact O-CG2 3.31Å; R244-I452 WeakPolarHBondContact O-CG2 3.29Å; R244-I452 PolarHBondContact O-N 3.05Å; Q245-I452 WeakPolarHBondContact O-CD1 3.49Å; L247-I452 HydrophobicContact CD1-CD1 4.29Å; L247-I452 HydrophobicContact CD1-CG1 4.05Å; L247-I452 HydrophobicContact CD2-CG2 4.15Å; L247-I452 HydrophobicContact CG-CD1 4.34Å; L247-I452 HydrophobicContact CG-CG1 4.27Å; L247-I452 HydrophobicContact CG-CG2 3.91Å; E440-I452 HydrophobicContact CB-CD1 3.92Å; E440-I452 HydrophobicContact CB-CG1 3.73Å; R441-I452 HydrophobicContact CG-CD1 3.73Å; I452-D454 PolarHBondContact O-N 3.15Å; I452-C455 WeakPolarHBondContact O-CA 3.46Å; I452-C455 VanDerWaalsContact O-CB 3.26Å; I452-C455 WeakPolarHBondContact O-CB 3.34Å; I452-C455 PolarHBondContact O-N 3.33Å
453K95.7Very high95.6Very high11 Ų1133 Ų335%0.04815%0.148CC..G310 helixtrans-63.8-21.6176.5-60.9176.1178.6810112.6T243 L247 N451 C455 P459 W461T243-K453 PolarHBondContact O-NZ 2.73Å; L247-K453 HydrophobicContact CD2-CG 4Å; N451-K453 PolarHBondContact O-N 3.43Å; N451-K453 WeakPolarHBondContact OD1-CB 3.16Å; N451-K453 VanDerWaalsContact OD1-CG 3.31Å; N451-K453 WeakPolarHBondContact OD1-CG 3.48Å; N451-K453 PolarHBondContact OD1-N 3.05Å; N451-K453 VanDerWaalsContact OD1-N 3.16Å; K453-C455 VanDerWaalsContact C-N 3.32Å; K453-P459 HydrophobicContact CB-CB 4.09Å; K453-P459 HydrophobicContact CB-CG 4.09Å; K453-P459 HydrophobicContact CG-CB 4.31Å; K453-P459 WeakPolarHBondContact O-CG 3.38Å; K453-W461 HydrophobicContact CD-CD2 3.87Å; K453-W461 HydrophobicContact CD-CE3 4.22Å; K453-W461 HydrophobicContact CD-CG 4.27Å; K453-W461 HydrophobicContact CD-CZ2 4.3Å; K453-W461 VanDerWaalsContact CE-CD1 3.44Å; K453-W461 VanDerWaalsContact CE-CD2 3.41Å
454D96.2Very high95.3Very high10 Ų1036.5 Ų36.55%0.05316%0.164CC..G310 helixtrans-85.1-8.1173.4-59.9-30.9000112.4P118 R122 F137 H296 I449 N451 I452 V456P118-D454 WeakPolarHBondContact CB-OD2 3.48Å; R122-D454 WeakPolarHBondContact CD-OD1 3.41Å; R122-D454 WeakPolarHBondContact CG-OD1 3.47Å; R122-D454 IonicContact CZ-OD1 3.92Å; R122-D454 IonicContact CZ-OD2 3.72Å; R122-D454 IonicContact NH1-OD1 3.99Å; R122-D454 PolarHBondContact NH1-OD1 3.15Å; R122-D454 IonicContact NH1-OD2 2.67Å; R122-D454 PolarHBondContact NH1-OD2 3.43Å; F137-D454 WeakPolarHBondContact CE1-O 3.24Å; H296-D454 IonicContact CE1-OD2 2.76Å; I449-D454 HydrophobicContact CG2-CB 3.82Å; N451-D454 WeakPolarHBondContact O-CB 3.09Å; N451-D454 PolarHBondContact O-N 2.81Å; I452-D454 PolarHBondContact O-N 3.15Å; D454-V456 VanDerWaalsContact C-N 3.34Å
455C97.1Very high94.9Very high0 Ų040.8 Ų40.80%019%0.194CC..G310 helixtrans-91.112.9-179.9-570000113.5F137 R141 E440 L443 I452 K453F137-C455 HydrophobicContact CE2-CB 4.47Å; F137-C455 HydrophobicContact CZ-CB 4.21Å; F137-C455 WeakPolarHBondContact CZ-O 3.45Å; R141-C455 PolarHBondContact NH1-O 2.62Å; E440-C455 HydrophobicContact CB-CB 4.14Å; E440-C455 HydrophobicContact CG-CB 4.4Å; L443-C455 HydrophobicContact CB-CB 4.49Å; I452-C455 WeakPolarHBondContact O-CA 3.46Å; I452-C455 VanDerWaalsContact O-CB 3.26Å; I452-C455 WeakPolarHBondContact O-CB 3.34Å; I452-C455 PolarHBondContact O-N 3.33Å; K453-C455 VanDerWaalsContact C-N 3.32Å
456V96.7Very high94Very high18 Ų1846.2 Ų46.211%0.10922%0.222CC..SBendtrans-150.1149.2-178.663.40000113.5R128 L247 E440 D454 F458 P459R128-V456 PolarHBondContact NH1-O 3.13Å; R128-V456 PolarHBondContact NH2-O 2.79Å; L247-V456 HydrophobicContact CD1-CG1 4Å; E440-V456 HydrophobicContact CG-CB 4.19Å; D454-V456 VanDerWaalsContact C-N 3.34Å; V456-F458 PolarHBondContact O-N 3.41Å; V456-P459 HydrophobicContact CG1-CB 3.61Å; V456-P459 HydrophobicContact CG1-CG 4.26Å
457A95.2Very high92.3Very high22 Ų2253.5 Ų53.518%0.18227%0.267CS..SBendtrans-27.5-63.3165.600000117.6R128 F134 L138R128-A457 PolarHBondContact NE-O 3.5Å; R128-A457 PolarHBondContact NH1-O 2.85Å; F134-A457 HydrophobicContact CE1-CB 4.11Å; F134-A457 HydrophobicContact CZ-CB 4.2Å; L138-A457 HydrophobicContact CD1-CB 4.24Å; L138-A457 HydrophobicContact CD2-CB 3.37Å; L138-A457 HydrophobicContact CG-CB 4.42Å
458F95.8Very high92.1Very high85 Ų8556.2 Ų56.237%0.37328%0.281SS..SBendtrans-153.784.5-167.1-64.3-86.9000105.7P125 V456P125-F458 HydrophobicContact CB-CD1 3.85Å; P125-F458 HydrophobicContact CB-CE1 4.25Å; P125-F458 HydrophobicContact CG-CD1 4.49Å; P125-F458 WeakPolarHBondContact O-CE1 3.29Å; V456-F458 PolarHBondContact O-N 3.41Å
459P95.5Very high91.9Very high6 Ų658.3 Ų58.34%0.03929%0.288CS..  trans-63.1144.9-172.620.4-29.3000109.9L247 K453 V456 W461L247-P459 HydrophobicContact CD2-CB 3.74Å; K453-P459 HydrophobicContact CB-CB 4.09Å; K453-P459 HydrophobicContact CB-CG 4.09Å; K453-P459 HydrophobicContact CG-CB 4.31Å; K453-P459 WeakPolarHBondContact O-CG 3.38Å; V456-P459 HydrophobicContact CG1-CB 3.61Å; V456-P459 HydrophobicContact CG1-CG 4.26Å; P459-W461 HydrophobicContact CB-CE3 3.71Å; P459-W461 HydrophobicContact CB-CZ3 3.75Å; P459-W461 HydrophobicContact CG-CE3 4.03Å; P459-W461 HydrophobicContact CG-CH2 4.38Å; P459-W461 HydrophobicContact CG-CZ3 3.53Å; P459-W461 VanDerWaalsContact O-CZ3 3.3Å; P459-W461 WeakPolarHBondContact O-CZ3 3.48Å
460R95.2Very high91.7Very high42 Ų4261.5 Ų61.516%0.15830%0.304CS..  trans-112.6130.5166.3-56.6-61176.7-125.912.7107.7L247 A248 E249 C465 L466L247-R460 CarbonylContact C-O 3.57Å; L247-R460 WeakPolarHBondContact CA-O 3.24Å; A248-R460 HydrophobicContact CB-CB 4.25Å; A248-R460 PolarHBondContact N-O 3.27Å; E249-R460 HydrophobicContact CB-CB 3.93Å; E249-R460 HydrophobicContact CB-CG 3.99Å; E249-R460 WeakPolarHBondContact OE2-CG 3.44Å; R460-C465 VanDerWaalsContact CD-SG 3.59Å; R460-L466 VanDerWaalsContact CZ-O 3.32Å; R460-L466 PolarHBondContact NH1-O 3.37Å; R460-L466 PolarHBondContact NH2-O 2.74Å
461W93.5Very high91.6Very high43 Ų4357.6 Ų57.616%0.16329%0.287CS..BIsolated β-bridgetrans-152.6171.3175.368.296.9000109.4K453 P459 R463 H464K453-W461 HydrophobicContact CD-CD2 3.87Å; K453-W461 HydrophobicContact CD-CE3 4.22Å; K453-W461 HydrophobicContact CD-CG 4.27Å; K453-W461 HydrophobicContact CD-CZ2 4.3Å; K453-W461 VanDerWaalsContact CE-CD1 3.44Å; K453-W461 VanDerWaalsContact CE-CD2 3.41Å; P459-W461 HydrophobicContact CB-CE3 3.71Å; P459-W461 HydrophobicContact CB-CZ3 3.75Å; P459-W461 HydrophobicContact CG-CE3 4.03Å; P459-W461 HydrophobicContact CG-CH2 4.38Å; P459-W461 HydrophobicContact CG-CZ3 3.53Å; P459-W461 VanDerWaalsContact O-CZ3 3.3Å; P459-W461 WeakPolarHBondContact O-CZ3 3.48Å; W461-R463 PolarHBondContact O-N 3.4Å; W461-R463 VanDerWaalsContact O-N 3.17Å; W461-H464 AromaticContact CD1-CG 3.88Å; W461-H464 AromaticContact CD1-ND1 3.5Å; W461-H464 HydrophobicContact CD2-CB 3.49Å; W461-H464 VanDerWaalsContact CD2-CB 3.49Å; W461-H464 AromaticContact CD2-CG 3.94Å; W461-H464 AromaticContact CE2-CD2 3.58Å; W461-H464 AromaticContact CE2-CG 3.21Å; W461-H464 AromaticContact CE2-ND1 3.59Å; W461-H464 HydrophobicContact CE3-CB 3.79Å; W461-H464 HydrophobicContact CG-CB 4.02Å; W461-H464 HydrophobicContact CH2-CB 3.79Å; W461-H464 HydrophobicContact CZ2-CB 3.51Å; W461-H464 AromaticContact CZ2-CD2 3.24Å; W461-H464 WeakPolarHBondContact CZ2-CD2 3.26Å; W461-H464 AromaticContact CZ2-CG 3.36Å; W461-H464 AromaticContact CZ2-NE2 3.91Å; W461-H464 HydrophobicContact CZ3-CB 3.88Å; W461-H464 PolarHBondContact N-O 3.25Å; W461-H464 AromaticContact NE1-CD2 3.67Å; W461-H464 AromaticContact NE1-CE1 3.41Å; W461-H464 PolarHBondContact NE1-CE1 3.47Å; W461-H464 AromaticContact NE1-CG 3.18Å; W461-H464 AromaticContact NE1-ND1 2.99Å; W461-H464 PolarHBondContact NE1-ND1 2.78Å; W461-H464 AromaticContact NE1-NE2 3.78Å; W461-H464 CarbonylContact O-C 3.57Å; W461-H464 WeakPolarHBondContact O-CA 3.38Å; W461-H464 PolarHBondContact O-N 2.85Å
462F93.3Very high91.3Very high65 Ų6560.2 Ų60.229%0.28530%0.299SS..THydrogen-bonded Turntrans-48.2124.2-175.6-177.2-117.7000112.3S240 L242 H464S240-F462 WeakPolarHBondContact OG-CE2 3.5Å; L242-F462 HydrophobicContact CD2-CB 4.09Å; L242-F462 HydrophobicContact CD2-CD1 4.09Å; L242-F462 HydrophobicContact CG-CD1 4.13Å; F462-H464 VanDerWaalsContact C-N 3.27Å; F462-H464 PolarHBondContact O-N 3.4Å; F462-H464 PolarHBondContact O-ND1 3.45Å
463R92Very high91Very high218 Ų21863.8 Ų63.882%0.82332%0.317SS*.THydrogen-bonded Turntrans62.915.8-175.4-58.4-177.8173.7-168.5-3.2116.6W461W461-R463 PolarHBondContact O-N 3.4Å; W461-R463 VanDerWaalsContact O-N 3.17Å
464H91.5Very high90.6Very high75 Ų7567.6 Ų67.635%0.34734%0.336SS..BIsolated β-bridgetrans-137.9100.7-177.3-6276.4000111.7W461 F462W461-H464 AromaticContact CD1-CG 3.88Å; W461-H464 AromaticContact CD1-ND1 3.5Å; W461-H464 HydrophobicContact CD2-CB 3.49Å; W461-H464 VanDerWaalsContact CD2-CB 3.49Å; W461-H464 AromaticContact CD2-CG 3.94Å; W461-H464 AromaticContact CE2-CD2 3.58Å; W461-H464 AromaticContact CE2-CG 3.21Å; W461-H464 AromaticContact CE2-ND1 3.59Å; W461-H464 HydrophobicContact CE3-CB 3.79Å; W461-H464 HydrophobicContact CG-CB 4.02Å; W461-H464 HydrophobicContact CH2-CB 3.79Å; W461-H464 HydrophobicContact CZ2-CB 3.51Å; W461-H464 AromaticContact CZ2-CD2 3.24Å; W461-H464 WeakPolarHBondContact CZ2-CD2 3.26Å; W461-H464 AromaticContact CZ2-CG 3.36Å; W461-H464 AromaticContact CZ2-NE2 3.91Å; W461-H464 HydrophobicContact CZ3-CB 3.88Å; W461-H464 PolarHBondContact N-O 3.25Å; W461-H464 AromaticContact NE1-CD2 3.67Å; W461-H464 AromaticContact NE1-CE1 3.41Å; W461-H464 PolarHBondContact NE1-CE1 3.47Å; W461-H464 AromaticContact NE1-CG 3.18Å; W461-H464 AromaticContact NE1-ND1 2.99Å; W461-H464 PolarHBondContact NE1-ND1 2.78Å; W461-H464 AromaticContact NE1-NE2 3.78Å; W461-H464 CarbonylContact O-C 3.57Å; W461-H464 WeakPolarHBondContact O-CA 3.38Å; W461-H464 PolarHBondContact O-N 2.85Å; F462-H464 VanDerWaalsContact C-N 3.27Å; F462-H464 PolarHBondContact O-N 3.4Å; F462-H464 PolarHBondContact O-ND1 3.45Å
465C88.8Confident90.2Very high94 Ų9472 Ų7264%0.63536%0.358SS*.  trans-136.552.6177.6-1730000110.7R460R460-C465 VanDerWaalsContact CD-SG 3.59Å
466L78.4Confident89.6Confident115 Ų11578 Ų7860%0.60239%0.388SS*.  trans-73.9126.5177.4-64.8173.1000110.1R460R460-L466 VanDerWaalsContact CZ-O 3.32Å; R460-L466 PolarHBondContact NH1-O 3.37Å; R460-L466 PolarHBondContact NH2-O 2.74Å
467T59.8Low89Confident153 Ų15383.5 Ų83.594%0.93941%0.413SS*.  trans-76.9017347.40000112.5

Retrieved 467 of 467 residues in 192.2 ms (Link to these results)

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