A0A5K4F4B1_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F4B1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 180 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
1M30.2Very low34.7Very low222 Ų22275.9 Ų75.9100%1.09440%0.404SS*.  092.10-73.9177.1179.800110.5
2K32.3Very low35.7Very low173 Ų17376.4 Ų76.475%0.75240%0.401SS*.  trans-120.2-7.3-178.8-87.1-179.9176.5174.50115
3L26Very low36Very low131 Ų13170.8 Ų70.869%0.68637%0.372SS*.SBendtrans-89.6-27.8-175.5-90.8129.3000114.4S5L3-S5 PolarHBondContact O-N 3.09Å
4V31.6Very low36.2Very low80 Ų8070.1 Ų70.149%0.48537%0.368SS..Hα-helixtrans-72.2-35.9-171.8-172.80000112.3I6 S7 L8 N68V4-I6 VanDerWaalsContact C-N 3.28Å; V4-I6 PolarHBondContact O-N 3.42Å; V4-S7 PolarHBondContact O-N 2.89Å; V4-L8 HydrophobicContact CG1-CD1 4.43Å; V4-L8 PolarHBondContact O-N 3.49Å; V4-N68 WeakPolarHBondContact CG1-ND2 3.41Å
5S30.2Very low36.5Very low42 Ų4267.4 Ų67.429%0.29435%0.354SS..Hα-helixtrans-66.1-26.2-178.8-38.70000113.9L3L3-S5 PolarHBondContact O-N 3.09Å
6I31Very low36.6Very low81 Ų8163.9 Ų63.942%0.41534%0.335SS..Hα-helixtrans-78-37.7-179.8-59.4175.3000110.4V4 L8 G10 N30V4-I6 VanDerWaalsContact C-N 3.28Å; V4-I6 PolarHBondContact O-N 3.42Å; I6-L8 VanDerWaalsContact C-N 3.32Å; I6-L8 PolarHBondContact O-N 2.88Å; I6-G10 PolarHBondContact O-N 2.71Å; I6-N30 WeakPolarHBondContact CD1-ND2 3.47Å; I6-N30 WeakPolarHBondContact CG1-ND2 3.5Å
7S36.9Very low36.6Very low40 Ų4061.4 Ų61.428%0.2833%0.325SS..Hα-helixtrans-63.9-39.6179-146.70000111.7V4 I9 G10 I11V4-S7 PolarHBondContact O-N 2.89Å; S7-I9 VanDerWaalsContact C-N 3.34Å; S7-I9 PolarHBondContact O-N 2.87Å; S7-G10 PolarHBondContact O-N 3.25Å; S7-I11 WeakPolarHBondContact O-CD1 3.47Å; S7-I11 WeakPolarHBondContact O-CG1 3.28Å; S7-I11 PolarHBondContact O-N 3.36Å
8L41.3Very low36.6Very low15 Ų1564.8 Ų64.88%0.07934%0.338CS..Hα-helixtrans-54.7-41.9-177.9-91.3153.7000114.7V4 I6 I67 N68V4-L8 HydrophobicContact CG1-CD1 4.43Å; V4-L8 PolarHBondContact O-N 3.49Å; I6-L8 VanDerWaalsContact C-N 3.32Å; I6-L8 PolarHBondContact O-N 2.88Å; L8-I67 HydrophobicContact CD2-CB 3.65Å; L8-I67 HydrophobicContact CD2-CG2 3.28Å; L8-N68 HydrophobicContact CD2-CB 4.41Å; L8-N68 VanDerWaalsContact CD2-OD1 3.28Å; L8-N68 WeakPolarHBondContact CD2-OD1 3.42Å; L8-N68 WeakPolarHBondContact CG-OD1 3.43Å
9I40Very low36.6Very low17 Ų1769.1 Ų69.19%0.08736%0.357CS..Hα-helixtrans-96.9-29.4-173.5-60.3167.6000110.8S7 I11 F12 S13 I26 I29 L146 M149S7-I9 VanDerWaalsContact C-N 3.34Å; S7-I9 PolarHBondContact O-N 2.87Å; I9-I11 PolarHBondContact O-N 3.25Å; I9-F12 PolarHBondContact O-N 3.48Å; I9-S13 WeakPolarHBondContact O-CA 3.44Å; I9-S13 WeakPolarHBondContact O-CB 3.25Å; I9-S13 PolarHBondContact O-N 3.01Å; I9-S13 PolarHBondContact O-OG 3.28Å; I9-I26 HydrophobicContact CB-CG2 4.49Å; I9-I26 HydrophobicContact CG2-CG2 3.83Å; I9-I29 HydrophobicContact CB-CD1 3.47Å; I9-I29 VanDerWaalsContact CB-CD1 3.47Å; I9-I29 HydrophobicContact CB-CG1 4.23Å; I9-I29 HydrophobicContact CD1-CB 4.03Å; I9-I29 HydrophobicContact CD1-CD1 3.75Å; I9-I29 HydrophobicContact CD1-CG1 3.56Å; I9-I29 HydrophobicContact CD1-CG2 3.38Å; I9-I29 HydrophobicContact CG1-CD1 4.23Å; I9-I29 HydrophobicContact CG2-CD1 3.19Å; I9-I29 HydrophobicContact CG2-CG1 3.9Å; I9-L146 HydrophobicContact CD1-CB 4.36Å; I9-L146 HydrophobicContact CD1-CD1 3.29Å; I9-L146 HydrophobicContact CD1-CD2 4.12Å; I9-L146 HydrophobicContact CD1-CG 4.09Å; I9-L146 HydrophobicContact CG1-CD1 3.94Å; I9-M149 HydrophobicContact CB-CE 4.02Å; I9-M149 HydrophobicContact CD1-CE 4.49Å; I9-M149 HydrophobicContact CG1-CE 3.77Å; I9-M149 HydrophobicContact CG2-CE 3.53Å
10G37.5Very low36.5Very low20 Ų2071 Ų7121%0.20636%0.36CS..Hα-helixtrans-60.6-30.717400000112.9I6 S7 S13 L14I6-G10 PolarHBondContact O-N 2.71Å; S7-G10 PolarHBondContact O-N 3.25Å; G10-S13 WeakPolarHBondContact O-CB 3.45Å; G10-L14 PolarHBondContact O-N 3.06Å
11I44.3Very low36.2Very low14 Ų1470.9 Ų70.97%0.07238%0.376CS..Hα-helixtrans-86.5-37.6-178.7-59.3161.8000111.8S7 I9 S13 L14 L15 L71 I75 I82S7-I11 WeakPolarHBondContact O-CD1 3.47Å; S7-I11 WeakPolarHBondContact O-CG1 3.28Å; S7-I11 PolarHBondContact O-N 3.36Å; I9-I11 PolarHBondContact O-N 3.25Å; I11-S13 VanDerWaalsContact C-N 3.28Å; I11-L14 CarbonylContact O-C 3.53Å; I11-L14 WeakPolarHBondContact O-CA 3.49Å; I11-L14 WeakPolarHBondContact O-CB 3.42Å; I11-L14 PolarHBondContact O-N 2.87Å; I11-L15 PolarHBondContact O-N 3.09Å; I11-L71 HydrophobicContact CB-CD1 3.95Å; I11-L71 HydrophobicContact CB-CD2 4.05Å; I11-L71 HydrophobicContact CB-CG 4.42Å; I11-L71 HydrophobicContact CD1-CD2 3.73Å; I11-L71 HydrophobicContact CD1-CG 4.47Å; I11-L71 HydrophobicContact CG1-CD2 4.48Å; I11-L71 HydrophobicContact CG2-CD1 3.47Å; I11-L71 VanDerWaalsContact CG2-CD1 3.47Å; I11-L71 HydrophobicContact CG2-CD2 4.27Å; I11-L71 HydrophobicContact CG2-CG 4.09Å; I11-I75 HydrophobicContact CD1-CD1 4.34Å; I11-I75 HydrophobicContact CG2-CD1 4.47Å; I11-I82 HydrophobicContact CB-CD1 4.42Å; I11-I82 HydrophobicContact CD1-CD1 3.63Å; I11-I82 HydrophobicContact CD1-CG2 4.19Å; I11-I82 HydrophobicContact CG1-CD1 3.82Å; I11-I82 HydrophobicContact CG1-CG1 4.4Å; I11-I82 HydrophobicContact CG1-CG2 3.9Å; I11-I82 HydrophobicContact CG2-CD1 3.65Å; I11-I82 HydrophobicContact CG2-CG1 4.29Å
12F46.7Very low36.2Very low82 Ų8267.4 Ų67.436%0.3635%0.352SS..Hα-helixtrans-73.3-29.6173-144.2-82.5000111.9I9 L14 L15 I16 M149I9-F12 PolarHBondContact O-N 3.48Å; F12-L14 VanDerWaalsContact C-N 3.27Å; F12-L14 PolarHBondContact O-N 2.89Å; F12-L15 HydrophobicContact CD2-CD1 3.62Å; F12-L15 HydrophobicContact CE2-CD1 3.79Å; F12-L15 HydrophobicContact CG-CD1 4.13Å; F12-L15 HydrophobicContact CZ-CD1 4.44Å; F12-L15 WeakPolarHBondContact O-CB 3.41Å; F12-L15 PolarHBondContact O-N 2.75Å; F12-L15 VanDerWaalsContact O-N 3.16Å; F12-I16 HydrophobicContact CD1-CD1 4Å; F12-I16 HydrophobicContact CD1-CG1 4.09Å; F12-I16 HydrophobicContact CE1-CD1 4.33Å; F12-I16 HydrophobicContact CE1-CG1 4.28Å; F12-I16 WeakPolarHBondContact O-CG1 3.28Å; F12-I16 PolarHBondContact O-N 3.38Å; F12-M149 HydrophobicContact CB-SD 3.38Å; F12-M149 WeakPolarHBondContact CB-SD 3.08Å; F12-M149 HydrophobicContact CD1-CG 3.92Å; F12-M149 HydrophobicContact CD1-SD 3.6Å; F12-M149 VanDerWaalsContact CD1-SD 3.6Å; F12-M149 HydrophobicContact CE1-CG 4.43Å; F12-M149 HydrophobicContact CG-CG 4.43Å; F12-M149 HydrophobicContact CG-SD 3.57Å; F12-M149 VanDerWaalsContact CG-SD 3.57Å
13S40.6Very low36.2Very low4 Ų467.8 Ų67.83%0.02836%0.361CS..Hα-helixtrans-53.8-49.5162-70.10000110.2I9 G10 I11 L15 I16 S17 I24I9-S13 WeakPolarHBondContact O-CA 3.44Å; I9-S13 WeakPolarHBondContact O-CB 3.25Å; I9-S13 PolarHBondContact O-N 3.01Å; I9-S13 PolarHBondContact O-OG 3.28Å; G10-S13 WeakPolarHBondContact O-CB 3.45Å; I11-S13 VanDerWaalsContact C-N 3.28Å; S13-L15 VanDerWaalsContact C-N 3.31Å; S13-L15 PolarHBondContact O-N 3.39Å; S13-I16 CarbonylContact O-C 3.45Å; S13-I16 PolarHBondContact O-N 3.32Å; S13-S17 VanDerWaalsContact O-CB 3.31Å; S13-S17 WeakPolarHBondContact O-CB 3.42Å; S13-S17 PolarHBondContact O-N 3.11Å; S13-S17 PolarHBondContact O-OG 3.1Å; S13-I24 WeakPolarHBondContact O-CD1 3.44Å; S13-I24 WeakPolarHBondContact OG-CG2 3.31Å
14L39Very low36.7Very low60 Ų6063.2 Ų63.231%0.31434%0.337SS..Hα-helixtrans-59.3-38.2174.3-157.880.9000112.9G10 I11 F12 S17 Q18 V80G10-L14 PolarHBondContact O-N 3.06Å; I11-L14 CarbonylContact O-C 3.53Å; I11-L14 WeakPolarHBondContact O-CA 3.49Å; I11-L14 WeakPolarHBondContact O-CB 3.42Å; I11-L14 PolarHBondContact O-N 2.87Å; F12-L14 VanDerWaalsContact C-N 3.27Å; F12-L14 PolarHBondContact O-N 2.89Å; L14-S17 CarbonylContact O-C 3.53Å; L14-S17 WeakPolarHBondContact O-CB 3.5Å; L14-S17 PolarHBondContact O-N 3.45Å; L14-Q18 WeakPolarHBondContact O-CB 3.48Å; L14-Q18 WeakPolarHBondContact O-CG 3.41Å; L14-Q18 PolarHBondContact O-N 2.86Å; L14-V80 HydrophobicContact CD2-CG1 4.13Å
15L40.3Very low36.9Very low30 Ų3065.8 Ų65.816%0.15735%0.348CS..Hα-helixtrans-63.4-46176.4-71170000111.7I11 F12 S13 Q18 E19 L71 H74I11-L15 PolarHBondContact O-N 3.09Å; F12-L15 HydrophobicContact CD2-CD1 3.62Å; F12-L15 HydrophobicContact CE2-CD1 3.79Å; F12-L15 HydrophobicContact CG-CD1 4.13Å; F12-L15 HydrophobicContact CZ-CD1 4.44Å; F12-L15 WeakPolarHBondContact O-CB 3.41Å; F12-L15 PolarHBondContact O-N 2.75Å; F12-L15 VanDerWaalsContact O-N 3.16Å; S13-L15 VanDerWaalsContact C-N 3.31Å; S13-L15 PolarHBondContact O-N 3.39Å; L15-Q18 PolarHBondContact O-N 3.48Å; L15-E19 WeakPolarHBondContact O-CB 3.41Å; L15-E19 PolarHBondContact O-N 3.45Å; L15-L71 HydrophobicContact CD1-CD1 4.45Å; L15-H74 WeakPolarHBondContact CD2-NE2 3.19Å
16I38.6Very low37.4Very low11 Ų1166.8 Ų66.86%0.05635%0.349CS..Hα-helixtrans-68.1-37.2173.6-63.1173.3000110.2F12 S13 Q18 E19 Y20 I24 W141 Y148F12-I16 HydrophobicContact CD1-CD1 4Å; F12-I16 HydrophobicContact CD1-CG1 4.09Å; F12-I16 HydrophobicContact CE1-CD1 4.33Å; F12-I16 HydrophobicContact CE1-CG1 4.28Å; F12-I16 WeakPolarHBondContact O-CG1 3.28Å; F12-I16 PolarHBondContact O-N 3.38Å; S13-I16 CarbonylContact O-C 3.45Å; S13-I16 PolarHBondContact O-N 3.32Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 2.84Å; I16-E19 PolarHBondContact O-N 2.62Å; I16-Y20 HydrophobicContact CB-CD2 4.49Å; I16-Y20 HydrophobicContact CG2-CD2 3.78Å; I16-Y20 HydrophobicContact CG2-CE2 4.47Å; I16-Y20 WeakPolarHBondContact O-CA 3.19Å; I16-Y20 VanDerWaalsContact O-CB 3.28Å; I16-Y20 WeakPolarHBondContact O-CB 3.28Å; I16-Y20 WeakPolarHBondContact O-CD2 3.32Å; I16-Y20 PolarHBondContact O-N 2.74Å; I16-I24 HydrophobicContact CB-CD1 4.08Å; I16-I24 HydrophobicContact CG2-CD1 4.17Å; I16-W141 HydrophobicContact CG2-CE3 4.38Å; I16-Y148 HydrophobicContact CD1-CD1 4.44Å
17S36.2Very low37.9Very low22 Ų2270.8 Ų70.815%0.15436%0.364CS..Hα-helixtrans-63.9-35.9175-60.30000112S13 L14 G21 Y22S13-S17 VanDerWaalsContact O-CB 3.31Å; S13-S17 WeakPolarHBondContact O-CB 3.42Å; S13-S17 PolarHBondContact O-N 3.11Å; S13-S17 PolarHBondContact O-OG 3.1Å; L14-S17 CarbonylContact O-C 3.53Å; L14-S17 WeakPolarHBondContact O-CB 3.5Å; L14-S17 PolarHBondContact O-N 3.45Å; S17-G21 CarbonylContact O-C 3.23Å; S17-G21 WeakPolarHBondContact O-CA 3.49Å; S17-G21 PolarHBondContact O-N 3.23Å; S17-Y22 WeakPolarHBondContact CA-O 3.33Å; S17-Y22 WeakPolarHBondContact CB-O 3.46Å; S17-Y22 PolarHBondContact OG-O 3.15Å
18Q35.9Very low38.1Very low123 Ų12374.7 Ų74.758%0.57538%0.377SS*.Hα-helixtrans-76.9-38.4178.4-79.8-178.5-2500111.2L14 L15 I16L14-Q18 WeakPolarHBondContact O-CB 3.48Å; L14-Q18 WeakPolarHBondContact O-CG 3.41Å; L14-Q18 PolarHBondContact O-N 2.86Å; L15-Q18 PolarHBondContact O-N 3.48Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 2.84Å
19E36.6Very low38.2Very low146 Ų14674.6 Ų74.668%0.68238%0.377SS*.Hα-helixtrans-76.7-28178.7-159.9167.7-156.600112.5L15 I16L15-E19 WeakPolarHBondContact O-CB 3.41Å; L15-E19 PolarHBondContact O-N 3.45Å; I16-E19 PolarHBondContact O-N 2.62Å
20Y34.6Very low38.6Very low107 Ų10776.8 Ų76.842%0.4239%0.389SS..Hα-helixtrans-125.2-4.4-174-59.5-81.7000115.7I16 Y22I16-Y20 HydrophobicContact CB-CD2 4.49Å; I16-Y20 HydrophobicContact CG2-CD2 3.78Å; I16-Y20 HydrophobicContact CG2-CE2 4.47Å; I16-Y20 WeakPolarHBondContact O-CA 3.19Å; I16-Y20 VanDerWaalsContact O-CB 3.28Å; I16-Y20 WeakPolarHBondContact O-CB 3.28Å; I16-Y20 WeakPolarHBondContact O-CD2 3.32Å; I16-Y20 PolarHBondContact O-N 2.74Å; Y20-Y22 WeakPolarHBondContact O-CD2 3.35Å; Y20-Y22 WeakPolarHBondContact O-CE2 3.47Å
21G29.9Very low39.4Very low68 Ų6877.4 Ų77.470%0.70139%0.39SS*.  trans81.311.6174.100000117.3S17S17-G21 CarbonylContact O-C 3.23Å; S17-G21 WeakPolarHBondContact O-CA 3.49Å; S17-G21 PolarHBondContact O-N 3.23Å
22Y31.3Very low40.2Very low150 Ų15081.6 Ų81.659%0.58842%0.418SS*.  trans-112.2130.4-171.5-67.7-80000114.6S17 Y20 W141S17-Y22 WeakPolarHBondContact CA-O 3.33Å; S17-Y22 WeakPolarHBondContact CB-O 3.46Å; S17-Y22 PolarHBondContact OG-O 3.15Å; Y20-Y22 WeakPolarHBondContact O-CD2 3.35Å; Y20-Y22 WeakPolarHBondContact O-CE2 3.47Å; Y22-W141 HydrophobicContact CD2-CZ3 4.23Å; Y22-W141 HydrophobicContact CE2-CH2 4.46Å
23L31.6Very low40.8Very low180 Ų18083.6 Ų83.694%0.94243%0.432SS*.  trans-69.3124.6169.3-72.8164.5000111
24I35.8Very low41.5Very low36 Ų3684.4 Ų84.419%0.18544%0.436CS..  trans-98.9129.2178.4-71.1161.8000110.5S13 I16 I26 P145S13-I24 WeakPolarHBondContact O-CD1 3.44Å; S13-I24 WeakPolarHBondContact OG-CG2 3.31Å; I16-I24 HydrophobicContact CB-CD1 4.08Å; I16-I24 HydrophobicContact CG2-CD1 4.17Å; I24-I26 HydrophobicContact CG2-CG2 4.3Å; I24-I26 PolarHBondContact O-N 2.89Å; I24-P145 HydrophobicContact CB-CG 4.35Å; I24-P145 HydrophobicContact CD1-CB 4.12Å; I24-P145 HydrophobicContact CD1-CG 4.1Å; I24-P145 HydrophobicContact CG1-CG 4.11Å; I24-P145 HydrophobicContact CG2-CB 4.33Å; I24-P145 HydrophobicContact CG2-CG 3.35Å
25D37.6Very low42.7Very low133 Ų13385.1 Ų85.171%0.71144%0.436SS*.  trans-82.898.8175.9-165.8-6.2000111.2K27D25-K27 PolarHBondContact O-N 3.42Å; D25-K27 WeakPolarHBondContact OD1-CB 3.37Å; D25-K27 PolarHBondContact OD1-N 3Å; D25-K27 VanDerWaalsContact OD1-N 3.12Å
26I40Very low43.9Very low63 Ų6387.3 Ų87.332%0.32345%0.446SS..  trans-79.65.6179.736.5172.6000113.7I9 I24 H28 I29I9-I26 HydrophobicContact CB-CG2 4.49Å; I9-I26 HydrophobicContact CG2-CG2 3.83Å; I24-I26 HydrophobicContact CG2-CG2 4.3Å; I24-I26 PolarHBondContact O-N 2.89Å; I26-H28 PolarHBondContact O-N 3.24Å; I26-I29 HydrophobicContact CB-CD1 3.36Å; I26-I29 HydrophobicContact CG2-CD1 3.17Å; I26-I29 WeakPolarHBondContact O-CD1 3.44Å; I26-I29 PolarHBondContact O-N 3Å
27K40.9Very low45.1Very low165 Ų16587.8 Ų87.872%0.71745%0.447SS*.THydrogen-bonded Turntrans-61.6-19.8-172.2-162177.9-165.6-179.50115D25D25-K27 PolarHBondContact O-N 3.42Å; D25-K27 WeakPolarHBondContact OD1-CB 3.37Å; D25-K27 PolarHBondContact OD1-N 3Å; D25-K27 VanDerWaalsContact OD1-N 3.12Å
28H41.7Very low46.5Very low122 Ų12287.3 Ų87.357%0.56544%0.443SS*.THydrogen-bonded Turntrans-116.812.9-171.8-65.5-7.7000115.4I26 N30 S31 Q34I26-H28 PolarHBondContact O-N 3.24Å; H28-N30 VanDerWaalsContact C-N 3.32Å; H28-N30 PolarHBondContact O-N 3.46Å; H28-S31 WeakPolarHBondContact O-CB 3.5Å; H28-S31 PolarHBondContact O-N 3.46Å; H28-S31 PolarHBondContact O-OG 3.2Å; H28-Q34 VanDerWaalsContact O-CD 3.23Å; H28-Q34 PolarHBondContact O-NE2 3.48Å; H28-Q34 PolarHBondContact O-OE1 2.83Å
29I43.7Very low48Very low13 Ų1386.7 Ų86.77%0.06744%0.436CS..THydrogen-bonded Turntrans-57.9-41.5178.5-81.5157.7000114.6I9 I26 S31I9-I29 HydrophobicContact CB-CD1 3.47Å; I9-I29 VanDerWaalsContact CB-CD1 3.47Å; I9-I29 HydrophobicContact CB-CG1 4.23Å; I9-I29 HydrophobicContact CD1-CB 4.03Å; I9-I29 HydrophobicContact CD1-CD1 3.75Å; I9-I29 HydrophobicContact CD1-CG1 3.56Å; I9-I29 HydrophobicContact CD1-CG2 3.38Å; I9-I29 HydrophobicContact CG1-CD1 4.23Å; I9-I29 HydrophobicContact CG2-CD1 3.19Å; I9-I29 HydrophobicContact CG2-CG1 3.9Å; I26-I29 HydrophobicContact CB-CD1 3.36Å; I26-I29 HydrophobicContact CG2-CD1 3.17Å; I26-I29 WeakPolarHBondContact O-CD1 3.44Å; I26-I29 PolarHBondContact O-N 3Å; I29-S31 PolarHBondContact O-N 2.93Å
30N47.5Very low49.7Very low63 Ų6383.4 Ų83.434%0.33742%0.423SS..THydrogen-bonded Turntrans-85.310.4178.3-77.4-33.8000112.4I6 H28I6-N30 WeakPolarHBondContact CD1-ND2 3.47Å; I6-N30 WeakPolarHBondContact CG1-ND2 3.5Å; H28-N30 VanDerWaalsContact C-N 3.32Å; H28-N30 PolarHBondContact O-N 3.46Å
31S55Low51.3Low33 Ų3378.9 Ų78.923%0.23141%0.405CS..  trans-63.3139.7173.9690000109.4H28 I29 N33 Q34 K35H28-S31 WeakPolarHBondContact O-CB 3.5Å; H28-S31 PolarHBondContact O-N 3.46Å; H28-S31 PolarHBondContact O-OG 3.2Å; I29-S31 PolarHBondContact O-N 2.93Å; S31-N33 PolarHBondContact O-N 3.21Å; S31-N33 VanDerWaalsContact O-N 3.15Å; S31-Q34 PolarHBondContact O-N 3.37Å; S31-Q34 WeakPolarHBondContact OG-CB 3.44Å; S31-Q34 VanDerWaalsContact OG-CG 3.29Å; S31-Q34 WeakPolarHBondContact OG-CG 3.41Å; S31-Q34 PolarHBondContact OG-N 2.94Å; S31-K35 PolarHBondContact O-N 2.9Å
32P61.6Low53.1Low102 Ų10275.8 Ų75.866%0.66237%0.373SS*.Hα-helixtrans-52.4-37.4178.5-28.435.2000113Q34 K35 Q36P32-Q34 PolarHBondContact O-N 2.9Å; P32-K35 PolarHBondContact O-N 2.78Å; P32-Q36 WeakPolarHBondContact O-CB 3.3Å; P32-Q36 PolarHBondContact O-N 3.33Å
33N59.4Low55.3Low124 Ų12472.3 Ų72.366%0.66336%0.364SS*.Hα-helixtrans-63.4-41.3179.5-63.3-7.6000112.3S31 Q36 Y37S31-N33 PolarHBondContact O-N 3.21Å; S31-N33 VanDerWaalsContact O-N 3.15Å; N33-Q36 PolarHBondContact O-N 2.76Å; N33-Y37 WeakPolarHBondContact O-CB 3.41Å; N33-Y37 PolarHBondContact O-N 2.98Å
34Q55.4Low57.2Low22 Ų2265.2 Ų65.210%0.10333%0.327CS..Hα-helixtrans-68.6-39.6178.4-76.5-160.617.600111.9H28 S31 P32 Q36 Y37 V38 N144 L146 Y147H28-Q34 VanDerWaalsContact O-CD 3.23Å; H28-Q34 PolarHBondContact O-NE2 3.48Å; H28-Q34 PolarHBondContact O-OE1 2.83Å; S31-Q34 PolarHBondContact O-N 3.37Å; S31-Q34 WeakPolarHBondContact OG-CB 3.44Å; S31-Q34 VanDerWaalsContact OG-CG 3.29Å; S31-Q34 WeakPolarHBondContact OG-CG 3.41Å; S31-Q34 PolarHBondContact OG-N 2.94Å; P32-Q34 PolarHBondContact O-N 2.9Å; Q34-Q36 VanDerWaalsContact C-N 3.35Å; Q34-Y37 PolarHBondContact O-N 3.33Å; Q34-V38 VanDerWaalsContact O-CG2 3.25Å; Q34-V38 WeakPolarHBondContact O-CG2 3.33Å; Q34-V38 PolarHBondContact O-N 2.78Å; Q34-N144 PolarHBondContact NE2-ND2 3.25Å; Q34-L146 HydrophobicContact CB-CD2 3.72Å; Q34-L146 HydrophobicContact CG-CD2 4.16Å; Q34-Y147 HydrophobicContact CG-CE2 4.13Å
35K64.3Low58.8Low75 Ų7563.5 Ų63.533%0.32632%0.318SS..Hα-helixtrans-62.6-43.2173.1-68-171.5175.3-163.50112.1S31 P32 Y37 V38 R39S31-K35 PolarHBondContact O-N 2.9Å; P32-K35 PolarHBondContact O-N 2.78Å; K35-Y37 VanDerWaalsContact C-N 3.33Å; K35-V38 PolarHBondContact O-N 3.25Å; K35-R39 PolarHBondContact O-N 3.24Å
36Q64.7Low60.6Low76 Ų7658 Ų5836%0.35529%0.289SS..Hα-helixtrans-62.9-42.9177.5-169.759.242.800110.8P32 N33 Q34 V38 R39 D40P32-Q36 WeakPolarHBondContact O-CB 3.3Å; P32-Q36 PolarHBondContact O-N 3.33Å; N33-Q36 PolarHBondContact O-N 2.76Å; Q34-Q36 VanDerWaalsContact C-N 3.35Å; Q36-V38 PolarHBondContact O-N 2.81Å; Q36-R39 WeakPolarHBondContact O-CB 3.29Å; Q36-R39 PolarHBondContact O-N 3.26Å; Q36-R39 VanDerWaalsContact O-N 3.14Å; Q36-D40 PolarHBondContact NE2-OD1 2.62Å; Q36-D40 PolarHBondContact O-N 3.49Å
37Y64.1Low62.3Low20 Ų2060.1 Ų60.18%0.07830%0.297CS..Hα-helixtrans-58-45.3175.2-179.4-95.1000113.1N33 Q34 K35 R39 D40 K41 Y147 V150 E151N33-Y37 WeakPolarHBondContact O-CB 3.41Å; N33-Y37 PolarHBondContact O-N 2.98Å; Q34-Y37 PolarHBondContact O-N 3.33Å; K35-Y37 VanDerWaalsContact C-N 3.33Å; Y37-R39 VanDerWaalsContact C-N 3.31Å; Y37-R39 PolarHBondContact O-N 3.04Å; Y37-D40 PolarHBondContact O-N 3.15Å; Y37-K41 HydrophobicContact CD1-CG 4.33Å; Y37-K41 HydrophobicContact CE1-CG 3.85Å; Y37-K41 HydrophobicContact CE2-CG 4.24Å; Y37-K41 VanDerWaalsContact CZ-CE 3.43Å; Y37-K41 WeakPolarHBondContact O-CG 3.45Å; Y37-K41 PolarHBondContact O-N 3.25Å; Y37-K41 WeakPolarHBondContact OH-CE 3.24Å; Y37-Y147 AromaticContact CD1-CD1 3.94Å; Y37-Y147 HydrophobicContact CD1-CD1 3.94Å; Y37-Y147 AromaticContact CD1-CD2 3.64Å; Y37-Y147 HydrophobicContact CD1-CD2 3.64Å; Y37-Y147 HydrophobicContact CD1-CE1 4.04Å; Y37-Y147 AromaticContact CD1-CE2 3.73Å; Y37-Y147 HydrophobicContact CD1-CE2 3.73Å; Y37-Y147 AromaticContact CD1-CG 3.74Å; Y37-Y147 HydrophobicContact CD1-CG 3.74Å; Y37-Y147 AromaticContact CD1-CZ 3.94Å; Y37-Y147 AromaticContact CD2-CD1 3.7Å; Y37-Y147 HydrophobicContact CD2-CD1 3.7Å; Y37-Y147 AromaticContact CD2-CE1 3.21Å; Y37-Y147 HydrophobicContact CD2-CE1 3.21Å; Y37-Y147 HydrophobicContact CD2-CE2 4.17Å; Y37-Y147 HydrophobicContact CD2-CG 4.35Å; Y37-Y147 AromaticContact CD2-CZ 3.49Å; Y37-Y147 VanDerWaalsContact CD2-CZ 3.49Å; Y37-Y147 AromaticContact CE1-CD1 3.61Å; Y37-Y147 HydrophobicContact CE1-CD1 3.61Å; Y37-Y147 AromaticContact CE1-CD2 3.84Å; Y37-Y147 HydrophobicContact CE1-CD2 3.84Å; Y37-Y147 HydrophobicContact CE1-CE1 4.12Å; Y37-Y147 HydrophobicContact CE1-CE2 4.31Å; Y37-Y147 AromaticContact CE1-CG 3.46Å; Y37-Y147 HydrophobicContact CE1-CG 3.46Å; Y37-Y147 VanDerWaalsContact CE1-CG 3.46Å; Y37-Y147 AromaticContact CE2-CD1 3.31Å; Y37-Y147 HydrophobicContact CE2-CD1 3.31Å; Y37-Y147 AromaticContact CE2-CE1 3.28Å; Y37-Y147 HydrophobicContact CE2-CE1 3.28Å; Y37-Y147 HydrophobicContact CE2-CG 4.07Å; Y37-Y147 AromaticContact CG-CD1 3.96Å; Y37-Y147 HydrophobicContact CG-CD1 3.96Å; Y37-Y147 HydrophobicContact CG-CD2 4.01Å; Y37-Y147 AromaticContact CG-CE1 3.58Å; Y37-Y147 HydrophobicContact CG-CE1 3.58Å; Y37-Y147 AromaticContact CG-CE2 3.62Å; Y37-Y147 HydrophobicContact CG-CE2 3.62Å; Y37-Y147 HydrophobicContact CG-CG 4.16Å; Y37-Y147 AromaticContact CG-CZ 3.4Å; Y37-Y147 AromaticContact CZ-CD1 3.23Å; Y37-Y147 AromaticContact CZ-CE1 3.73Å; Y37-Y147 AromaticContact CZ-CG 3.59Å; Y37-V150 HydrophobicContact CE1-CB 4.22Å; Y37-V150 HydrophobicContact CE1-CG1 4.33Å; Y37-E151 WeakPolarHBondContact OH-CG 3.25Å; Y37-E151 PolarHBondContact OH-OE1 2.8Å
38V64.4Low63.6Low13 Ų1352.3 Ų52.38%0.07926%0.263CS..Hα-helixtrans-58.8-47.3175.91770000109.8Q34 K35 Q36 D40 K41 M42 F63 L146 V150Q34-V38 VanDerWaalsContact O-CG2 3.25Å; Q34-V38 WeakPolarHBondContact O-CG2 3.33Å; Q34-V38 PolarHBondContact O-N 2.78Å; K35-V38 PolarHBondContact O-N 3.25Å; Q36-V38 PolarHBondContact O-N 2.81Å; V38-D40 PolarHBondContact O-N 3.47Å; V38-K41 PolarHBondContact O-N 3.39Å; V38-M42 HydrophobicContact CG1-CG 4.46Å; V38-M42 WeakPolarHBondContact O-CG 3.31Å; V38-M42 PolarHBondContact O-N 3.35Å; V38-F63 HydrophobicContact CG1-CD1 4.15Å; V38-F63 HydrophobicContact CG1-CE1 4.11Å; V38-L146 HydrophobicContact CG2-CD1 4.31Å; V38-L146 HydrophobicContact CG2-CD2 4.05Å; V38-L146 HydrophobicContact CG2-CG 4.34Å; V38-V150 HydrophobicContact CB-CG2 4.32Å; V38-V150 HydrophobicContact CG1-CG2 4.29Å; V38-V150 HydrophobicContact CG2-CG2 3.65Å
39R68.6Low64.8Low109 Ų10946.5 Ų46.541%0.41124%0.236SC..Hα-helixtrans-60.1-46.3178.5-175.6-177.7-64.7149.5-3.8112.1K35 Q36 Y37 K41 M42 N43 E60K35-R39 PolarHBondContact O-N 3.24Å; Q36-R39 WeakPolarHBondContact O-CB 3.29Å; Q36-R39 PolarHBondContact O-N 3.26Å; Q36-R39 VanDerWaalsContact O-N 3.14Å; Y37-R39 VanDerWaalsContact C-N 3.31Å; Y37-R39 PolarHBondContact O-N 3.04Å; R39-K41 VanDerWaalsContact C-N 3.33Å; R39-K41 PolarHBondContact O-N 2.86Å; R39-M42 PolarHBondContact O-N 3.09Å; R39-N43 WeakPolarHBondContact O-CB 3.43Å; R39-N43 VanDerWaalsContact O-CG 3.26Å; R39-N43 PolarHBondContact O-N 2.98Å; R39-E60 IonicContact NH2-OE2 3.91Å
40D71.3Confident66.3Low77 Ų7749.5 Ų49.541%0.41226%0.256SS..Hα-helixtrans-62.7-42.3-179.1-64.5-20.2000110.9Q36 Y37 V38 N43 L44Q36-D40 PolarHBondContact NE2-OD1 2.62Å; Q36-D40 PolarHBondContact O-N 3.49Å; Y37-D40 PolarHBondContact O-N 3.15Å; V38-D40 PolarHBondContact O-N 3.47Å; D40-N43 PolarHBondContact O-N 3.4Å; D40-L44 WeakPolarHBondContact O-CB 3.27Å; D40-L44 PolarHBondContact O-N 3.14Å
41K68Low67.6Low12 Ų1250 Ų505%0.05226%0.264CS..Hα-helixtrans-67.8-36.1175.8-71.2-65.4-167.1173.60112.9Y37 V38 R39 L44 L45 V150 E151 V154Y37-K41 HydrophobicContact CD1-CG 4.33Å; Y37-K41 HydrophobicContact CE1-CG 3.85Å; Y37-K41 HydrophobicContact CE2-CG 4.24Å; Y37-K41 VanDerWaalsContact CZ-CE 3.43Å; Y37-K41 WeakPolarHBondContact O-CG 3.45Å; Y37-K41 PolarHBondContact O-N 3.25Å; Y37-K41 WeakPolarHBondContact OH-CE 3.24Å; V38-K41 PolarHBondContact O-N 3.39Å; R39-K41 VanDerWaalsContact C-N 3.33Å; R39-K41 PolarHBondContact O-N 2.86Å; K41-L44 PolarHBondContact O-N 2.82Å; K41-L45 PolarHBondContact O-N 3.36Å; K41-V150 HydrophobicContact CB-CG1 3.43Å; K41-V150 VanDerWaalsContact CB-CG1 3.43Å; K41-V150 HydrophobicContact CG-CG1 3.84Å; K41-E151 IonicContact NZ-OE1 3.2Å; K41-E151 PolarHBondContact NZ-OE1 2.94Å; K41-V154 HydrophobicContact CB-CG2 4.33Å
42M69.4Low68.2Low4 Ų453.8 Ų53.82%0.0227%0.273CS..Hα-helixtrans-66.1-42.4172.9-70.2-55.7115.500111.7V38 R39 L44 L45 N46 F58 F63 V150 F153 V154V38-M42 HydrophobicContact CG1-CG 4.46Å; V38-M42 WeakPolarHBondContact O-CG 3.31Å; V38-M42 PolarHBondContact O-N 3.35Å; R39-M42 PolarHBondContact O-N 3.09Å; M42-L44 VanDerWaalsContact C-N 3.32Å; M42-L44 PolarHBondContact O-N 3.02Å; M42-L45 WeakPolarHBondContact O-CB 3.46Å; M42-L45 PolarHBondContact O-N 3.49Å; M42-N46 VanDerWaalsContact O-CG 3.23Å; M42-N46 PolarHBondContact O-N 2.53Å; M42-N46 PolarHBondContact O-ND2 3.47Å; M42-F58 HydrophobicContact SD-CB 4.23Å; M42-F63 HydrophobicContact CE-CD2 4.13Å; M42-F63 HydrophobicContact CE-CE2 4.29Å; M42-F63 HydrophobicContact CE-CG 4.25Å; M42-F63 HydrophobicContact SD-CB 4.17Å; M42-F63 HydrophobicContact SD-CD2 4.33Å; M42-F63 HydrophobicContact SD-CG 4.17Å; M42-V150 HydrophobicContact CE-CG1 4Å; M42-F153 HydrophobicContact CE-CD1 3.95Å; M42-F153 HydrophobicContact CE-CE1 4.34Å; M42-F153 HydrophobicContact SD-CE1 4.4Å; M42-V154 HydrophobicContact CE-CG2 3.66Å
43N76.3Confident68.8Low77 Ų7756 Ų5641%0.41228%0.28SS..Hα-helixtrans-60.7-44.4175.4-71.7-14.9000110.8R39 D40 L45 N46 E47R39-N43 WeakPolarHBondContact O-CB 3.43Å; R39-N43 VanDerWaalsContact O-CG 3.26Å; R39-N43 PolarHBondContact O-N 2.98Å; D40-N43 PolarHBondContact O-N 3.4Å; N43-L45 VanDerWaalsContact C-N 3.33Å; N43-L45 PolarHBondContact O-N 3.46Å; N43-N46 PolarHBondContact O-N 3.05Å; N43-N46 VanDerWaalsContact O-N 3.15Å; N43-E47 WeakPolarHBondContact O-CG 3.48Å; N43-E47 PolarHBondContact O-N 2.92Å
44L72.9Confident69.4Low30 Ų3052 Ų5216%0.15726%0.258CS..Hα-helixtrans-61.4-40.7176.8-165.569.9000112D40 K41 M42 E47 Y48 P124 F130 I133D40-L44 WeakPolarHBondContact O-CB 3.27Å; D40-L44 PolarHBondContact O-N 3.14Å; K41-L44 PolarHBondContact O-N 2.82Å; M42-L44 VanDerWaalsContact C-N 3.32Å; M42-L44 PolarHBondContact O-N 3.02Å; L44-E47 PolarHBondContact O-N 3.34Å; L44-Y48 WeakPolarHBondContact O-CB 3.47Å; L44-Y48 PolarHBondContact O-N 3.38Å; L44-P124 HydrophobicContact CD1-CG 3.94Å; L44-P124 HydrophobicContact CG-CG 4.14Å; L44-F130 HydrophobicContact CB-CE1 3.8Å; L44-F130 HydrophobicContact CD2-CD1 3.43Å; L44-F130 VanDerWaalsContact CD2-CD1 3.43Å; L44-F130 HydrophobicContact CD2-CE1 3.48Å; L44-F130 VanDerWaalsContact CD2-CE1 3.48Å; L44-F130 HydrophobicContact CD2-CG 4.29Å; L44-F130 HydrophobicContact CD2-CZ 4.37Å; L44-F130 HydrophobicContact CG-CD1 3.91Å; L44-F130 HydrophobicContact CG-CE1 3.38Å; L44-F130 HydrophobicContact CG-CZ 3.96Å; L44-F130 WeakPolarHBondContact O-CZ 3.45Å; L44-I133 HydrophobicContact CD2-CD1 4.22Å
45L67.8Low70.2Confident1 Ų161 Ų611%0.00530%0.297CS..Hα-helixtrans-61.8-46.3173176.160.7000111.1K41 M42 N43 E47 Y48 L49 F58 V154 M157K41-L45 PolarHBondContact O-N 3.36Å; M42-L45 WeakPolarHBondContact O-CB 3.46Å; M42-L45 PolarHBondContact O-N 3.49Å; N43-L45 VanDerWaalsContact C-N 3.33Å; N43-L45 PolarHBondContact O-N 3.46Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-E47 PolarHBondContact O-N 3.07Å; L45-Y48 WeakPolarHBondContact O-CB 3.24Å; L45-Y48 PolarHBondContact O-N 3.33Å; L45-L49 HydrophobicContact CD1-CD1 4.06Å; L45-L49 HydrophobicContact CD1-CD2 4.47Å; L45-L49 HydrophobicContact CD1-CG 4.06Å; L45-L49 HydrophobicContact CG-CD1 3.99Å; L45-L49 HydrophobicContact CG-CG 4.39Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 3Å; L45-F58 HydrophobicContact CD2-CD2 3.64Å; L45-F58 HydrophobicContact CD2-CE2 4.08Å; L45-F58 HydrophobicContact CD2-CG 4.23Å; L45-F58 HydrophobicContact CG-CD2 4.24Å; L45-V154 HydrophobicContact CB-CG1 4.04Å; L45-V154 HydrophobicContact CB-CG2 4.27Å; L45-V154 HydrophobicContact CD1-CG1 4.2Å; L45-V154 HydrophobicContact CD2-CG2 4.28Å; L45-V154 HydrophobicContact CG-CG1 4.5Å; L45-M157 HydrophobicContact CD2-CB 4.07Å
46N75.2Confident70.5Confident18 Ų1862.6 Ų62.610%0.09630%0.303CS..Hα-helixtrans-64-39.4179.9-68.9-23.3000112.1M42 N43 L49 T50 Q57 F58M42-N46 VanDerWaalsContact O-CG 3.23Å; M42-N46 PolarHBondContact O-N 2.53Å; M42-N46 PolarHBondContact O-ND2 3.47Å; N43-N46 PolarHBondContact O-N 3.05Å; N43-N46 VanDerWaalsContact O-N 3.15Å; N46-L49 PolarHBondContact O-N 3.15Å; N46-T50 VanDerWaalsContact O-CB 3.28Å; N46-T50 WeakPolarHBondContact O-CB 3.06Å; N46-T50 PolarHBondContact O-N 2.94Å; N46-T50 PolarHBondContact O-OG1 3.35Å; N46-Q57 WeakPolarHBondContact OD1-CA 3.29Å; N46-F58 PolarHBondContact ND2-O 3.48Å; N46-F58 PolarHBondContact OD1-N 3.23Å
47E76.9Confident70.9Confident106 Ų10664.9 Ų64.950%0.49531%0.314SS..Hα-helixtrans-61.8-43.6173.3-75.5-178-169.900111.5N43 L44 L45 T50 S51N43-E47 WeakPolarHBondContact O-CG 3.48Å; N43-E47 PolarHBondContact O-N 2.92Å; L44-E47 PolarHBondContact O-N 3.34Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-E47 PolarHBondContact O-N 3.07Å; E47-T50 PolarHBondContact O-N 3.2Å; E47-S51 WeakPolarHBondContact O-CB 3.4Å; E47-S51 PolarHBondContact O-N 3.19Å
48Y67.6Low71.1Confident1 Ų164.5 Ų64.50%0.00431%0.313CS..Hα-helixtrans-60.8-50.9175.5-179.3-104.4000112.1L44 L45 T50 S51 R52 P124 I127 F130 E162L44-Y48 WeakPolarHBondContact O-CB 3.47Å; L44-Y48 PolarHBondContact O-N 3.38Å; L45-Y48 WeakPolarHBondContact O-CB 3.24Å; L45-Y48 PolarHBondContact O-N 3.33Å; Y48-T50 VanDerWaalsContact C-N 3.29Å; Y48-T50 PolarHBondContact O-N 2.85Å; Y48-S51 WeakPolarHBondContact O-CB 3.45Å; Y48-S51 PolarHBondContact O-N 3.08Å; Y48-S51 VanDerWaalsContact O-N 3.09Å; Y48-S51 PolarHBondContact O-OG 3.46Å; Y48-R52 HydrophobicContact CE1-CG 4.28Å; Y48-R52 WeakPolarHBondContact O-CG 3.36Å; Y48-R52 PolarHBondContact O-N 3.44Å; Y48-R52 VanDerWaalsContact O-N 3.11Å; Y48-R52 PolarHBondContact OH-NE 3.1Å; Y48-R52 PolarHBondContact OH-NH2 3.13Å; Y48-P124 HydrophobicContact CD2-CB 4.3Å; Y48-P124 HydrophobicContact CD2-CG 4.26Å; Y48-P124 WeakPolarHBondContact CD2-O 3.49Å; Y48-I127 HydrophobicContact CE1-CG1 3.87Å; Y48-F130 HydrophobicContact CD1-CE2 4.3Å; Y48-F130 AromaticContact CD2-CE2 3.86Å; Y48-F130 HydrophobicContact CD2-CE2 3.86Å; Y48-F130 HydrophobicContact CD2-CZ 4.48Å; Y48-F130 AromaticContact CG-CE2 3.72Å; Y48-F130 HydrophobicContact CG-CE2 3.72Å; Y48-F130 AromaticContact CG-CZ 3.98Å; Y48-F130 HydrophobicContact CG-CZ 3.98Å; Y48-E162 PolarHBondContact OH-OE1 3.06Å; Y48-E162 VanDerWaalsContact OH-OE1 3.05Å; Y48-E162 PolarHBondContact OH-OE2 3.27Å
49L67.1Low71.4Confident0 Ų067.2 Ų67.20%033%0.329CS..Hα-helixtrans-59.9-42.2177.9-66.4174.6000111.5L45 N46 S51 R52 N53 I54 K56 F58 L161L45-L49 HydrophobicContact CD1-CD1 4.06Å; L45-L49 HydrophobicContact CD1-CD2 4.47Å; L45-L49 HydrophobicContact CD1-CG 4.06Å; L45-L49 HydrophobicContact CG-CD1 3.99Å; L45-L49 HydrophobicContact CG-CG 4.39Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 3Å; N46-L49 PolarHBondContact O-N 3.15Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 2.86Å; L49-R52 CarbonylContact O-C 3.48Å; L49-R52 WeakPolarHBondContact O-CA 3.36Å; L49-R52 PolarHBondContact O-N 2.87Å; L49-N53 PolarHBondContact O-N 3.5Å; L49-I54 HydrophobicContact CB-CB 4.08Å; L49-I54 HydrophobicContact CB-CG2 4.33Å; L49-I54 HydrophobicContact CD2-CB 4.29Å; L49-I54 HydrophobicContact CD2-CD1 3.73Å; L49-I54 HydrophobicContact CD2-CG2 4.18Å; L49-I54 WeakPolarHBondContact O-CB 3.13Å; L49-I54 PolarHBondContact O-N 2.99Å; L49-K56 WeakPolarHBondContact CD1-O 3.13Å; L49-F58 HydrophobicContact CD1-CD2 3.86Å; L49-F58 HydrophobicContact CD1-CE2 3.63Å; L49-L161 HydrophobicContact CD1-CD1 3.8Å; L49-L161 HydrophobicContact CD2-CB 3.95Å; L49-L161 HydrophobicContact CD2-CD1 3.73Å; L49-L161 HydrophobicContact CG-CD1 4.44Å
50T74.9Confident71.2Confident77 Ų7765.6 Ų65.647%0.47233%0.327SS..Hα-helixtrans-61.8-41175.8-57.70000111.2N46 E47 Y48 R52 N53N46-T50 VanDerWaalsContact O-CB 3.28Å; N46-T50 WeakPolarHBondContact O-CB 3.06Å; N46-T50 PolarHBondContact O-N 2.94Å; N46-T50 PolarHBondContact O-OG1 3.35Å; E47-T50 PolarHBondContact O-N 3.2Å; Y48-T50 VanDerWaalsContact C-N 3.29Å; Y48-T50 PolarHBondContact O-N 2.85Å; T50-R52 PolarHBondContact O-N 3.13Å; T50-N53 PolarHBondContact O-N 3.35Å
51S74.8Confident70.9Confident73 Ų7368.1 Ų68.151%0.5134%0.336SS..Hα-helixtrans-63-25.217681.90000113.2E47 Y48 L49E47-S51 WeakPolarHBondContact O-CB 3.4Å; E47-S51 PolarHBondContact O-N 3.19Å; Y48-S51 WeakPolarHBondContact O-CB 3.45Å; Y48-S51 PolarHBondContact O-N 3.08Å; Y48-S51 VanDerWaalsContact O-N 3.09Å; Y48-S51 PolarHBondContact O-OG 3.46Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 2.86Å
52R67.5Low70.6Confident113 Ų11372 Ų7243%0.42635%0.354SS..THydrogen-bonded Turntrans-91.99.1175-63.3-62.6-166161.55113.5Y48 L49 T50 I54 K125 E162Y48-R52 HydrophobicContact CE1-CG 4.28Å; Y48-R52 WeakPolarHBondContact O-CG 3.36Å; Y48-R52 PolarHBondContact O-N 3.44Å; Y48-R52 VanDerWaalsContact O-N 3.11Å; Y48-R52 PolarHBondContact OH-NE 3.1Å; Y48-R52 PolarHBondContact OH-NH2 3.13Å; L49-R52 CarbonylContact O-C 3.48Å; L49-R52 WeakPolarHBondContact O-CA 3.36Å; L49-R52 PolarHBondContact O-N 2.87Å; T50-R52 PolarHBondContact O-N 3.13Å; R52-I54 HydrophobicContact CB-CD1 3.9Å; R52-I54 HydrophobicContact CB-CG1 4.1Å; R52-I54 PolarHBondContact O-N 2.95Å; R52-K125 PolarHBondContact NH2-O 2.92Å; R52-E162 IonicContact CZ-OE1 2.96Å; R52-E162 IonicContact NE-OE1 3.32Å; R52-E162 PolarHBondContact NE-OE1 3Å; R52-E162 IonicContact NH1-OE1 3.62Å; R52-E162 IonicContact NH2-OE1 2.62Å; R52-E162 PolarHBondContact NH2-OE1 3.28Å
53N74.7Confident70.3Confident148 Ų14872.8 Ų72.879%0.79136%0.358SS*.THydrogen-bonded Turntrans59.721.2-173.6-62.6-52.5000114.6L49 T50 K55L49-N53 PolarHBondContact O-N 3.5Å; T50-N53 PolarHBondContact O-N 3.35Å; N53-K55 PolarHBondContact O-N 2.88Å
54I70.6Confident69.5Low40 Ų4070.6 Ų70.621%0.20535%0.349CS..  trans-84.9113.8174.8-60.8166000107.9L49 R52 K56 L161L49-I54 HydrophobicContact CB-CB 4.08Å; L49-I54 HydrophobicContact CB-CG2 4.33Å; L49-I54 HydrophobicContact CD2-CB 4.29Å; L49-I54 HydrophobicContact CD2-CD1 3.73Å; L49-I54 HydrophobicContact CD2-CG2 4.18Å; L49-I54 WeakPolarHBondContact O-CB 3.13Å; L49-I54 PolarHBondContact O-N 2.99Å; R52-I54 HydrophobicContact CB-CD1 3.9Å; R52-I54 HydrophobicContact CB-CG1 4.1Å; R52-I54 PolarHBondContact O-N 2.95Å; I54-K56 HydrophobicContact CG2-CB 3.93Å; I54-K56 PolarHBondContact O-N 2.96Å; I54-K56 VanDerWaalsContact O-N 3.1Å; I54-L161 HydrophobicContact CD1-CB 4.26Å; I54-L161 VanDerWaalsContact CD1-O 3.32Å; I54-L161 WeakPolarHBondContact CD1-O 3.2Å
55K73.9Confident68.9Low212 Ų21277.7 Ų77.792%0.92237%0.373SS*.  trans-72.92.5-177.1-66.9-173.9179.7179.60114.6N53N53-K55 PolarHBondContact O-N 2.88Å
56K70Confident68.3Low107 Ų10780.8 Ų80.847%0.46539%0.39SS..  trans-82.6126.3-178.5-165.3158-175.4169.60109.6L49 I54 F58 L161L49-K56 WeakPolarHBondContact CD1-O 3.13Å; I54-K56 HydrophobicContact CG2-CB 3.93Å; I54-K56 PolarHBondContact O-N 2.96Å; I54-K56 VanDerWaalsContact O-N 3.1Å; K56-F58 HydrophobicContact CD-CZ 4.21Å; K56-F58 HydrophobicContact CG-CE2 4.24Å; K56-F58 HydrophobicContact CG-CZ 4.27Å; K56-L161 HydrophobicContact CD-CD1 4.4Å; K56-L161 HydrophobicContact CD-CD2 4.15Å
57Q73.8Confident67.2Low125 Ų12581.6 Ų81.658%0.58439%0.393SS*.  trans-116.9144171.7-66.1-170.3-1.300109N46N46-Q57 WeakPolarHBondContact OD1-CA 3.29Å
58F67.6Low66Low11 Ų1178.8 Ų78.85%0.04838%0.382CS..  trans-104.5122.4174.6-68.8-84.8000109.4M42 L45 N46 L49 K56 M157 L161M42-F58 HydrophobicContact SD-CB 4.23Å; L45-F58 HydrophobicContact CD2-CD2 3.64Å; L45-F58 HydrophobicContact CD2-CE2 4.08Å; L45-F58 HydrophobicContact CD2-CG 4.23Å; L45-F58 HydrophobicContact CG-CD2 4.24Å; N46-F58 PolarHBondContact ND2-O 3.48Å; N46-F58 PolarHBondContact OD1-N 3.23Å; L49-F58 HydrophobicContact CD1-CD2 3.86Å; L49-F58 HydrophobicContact CD1-CE2 3.63Å; K56-F58 HydrophobicContact CD-CZ 4.21Å; K56-F58 HydrophobicContact CG-CE2 4.24Å; K56-F58 HydrophobicContact CG-CZ 4.27Å; F58-M157 HydrophobicContact CE1-CE 3.69Å; F58-M157 HydrophobicContact CE2-CB 4.5Å; F58-M157 HydrophobicContact CE2-CE 4.39Å; F58-M157 HydrophobicContact CZ-CB 4.38Å; F58-M157 HydrophobicContact CZ-CE 3.34Å; F58-M157 HydrophobicContact CZ-CG 4.33Å; F58-L161 HydrophobicContact CE2-CD1 3.63Å; F58-L161 HydrophobicContact CZ-CD1 3.86Å
59T71.1Confident65.2Low70 Ų7082.7 Ų82.743%0.42941%0.409SS..  trans-89.7159.2167.260.20000111E61 E62 F63T59-E61 PolarHBondContact O-N 3.18Å; T59-E62 PolarHBondContact N-OE2 3.19Å; T59-E62 PolarHBondContact O-N 3.27Å; T59-E62 WeakPolarHBondContact OG1-CB 3.4Å; T59-E62 VanDerWaalsContact OG1-CG 3.25Å; T59-E62 WeakPolarHBondContact OG1-CG 3.07Å; T59-E62 PolarHBondContact OG1-N 2.86Å; T59-E62 VanDerWaalsContact OG1-N 3.09Å; T59-E62 PolarHBondContact OG1-OE2 3.01Å; T59-F63 WeakPolarHBondContact O-CB 3.47Å; T59-F63 PolarHBondContact O-N 3.29Å
60E63.1Low64.3Low75 Ų7587.7 Ų87.735%0.3543%0.434SS..Hα-helixtrans-55.3-34.6172.6-173.8-178.5163.900111.3R39 S64R39-E60 IonicContact NH2-OE2 3.91Å; E60-S64 WeakPolarHBondContact O-CB 3.33Å; E60-S64 PolarHBondContact O-N 3.34Å; E60-S64 PolarHBondContact O-OG 3.34Å
61E65.8Low63.1Low131 Ų13184.6 Ų84.661%0.61241%0.414SS*.Hα-helixtrans-71.4-47.3178.4-172.3171.4-177.700112.2T59 F63 S64 R65T59-E61 PolarHBondContact O-N 3.18Å; E61-F63 VanDerWaalsContact C-N 3.34Å; E61-F63 PolarHBondContact O-N 3.26Å; E61-S64 PolarHBondContact O-N 2.96Å; E61-R65 WeakPolarHBondContact O-CB 3.4Å; E61-R65 WeakPolarHBondContact O-CG 3.43Å; E61-R65 PolarHBondContact O-N 2.93Å
62E61.3Low61.9Low92 Ų9287.5 Ų87.543%0.4342%0.418SS..Hα-helixtrans-61.8-42.4175.4-75.6166.2136.800111.9T59 S64 R65 L66T59-E62 PolarHBondContact N-OE2 3.19Å; T59-E62 PolarHBondContact O-N 3.27Å; T59-E62 WeakPolarHBondContact OG1-CB 3.4Å; T59-E62 VanDerWaalsContact OG1-CG 3.25Å; T59-E62 WeakPolarHBondContact OG1-CG 3.07Å; T59-E62 PolarHBondContact OG1-N 2.86Å; T59-E62 VanDerWaalsContact OG1-N 3.09Å; T59-E62 PolarHBondContact OG1-OE2 3.01Å; E62-S64 VanDerWaalsContact C-N 3.35Å; E62-S64 PolarHBondContact O-N 3.36Å; E62-R65 PolarHBondContact O-N 3.26Å; E62-L66 VanDerWaalsContact O-CB 3.31Å; E62-L66 WeakPolarHBondContact O-CB 3.27Å; E62-L66 PolarHBondContact O-N 3.42Å
63F63.1Low61.1Low21 Ų2188.3 Ų88.39%0.09242%0.424CS..Hα-helixtrans-56.8-51.2173.5174.3-115.4000110.6V38 M42 T59 E61 R65 L66 I67 V150 F153V38-F63 HydrophobicContact CG1-CD1 4.15Å; V38-F63 HydrophobicContact CG1-CE1 4.11Å; M42-F63 HydrophobicContact CE-CD2 4.13Å; M42-F63 HydrophobicContact CE-CE2 4.29Å; M42-F63 HydrophobicContact CE-CG 4.25Å; M42-F63 HydrophobicContact SD-CB 4.17Å; M42-F63 HydrophobicContact SD-CD2 4.33Å; M42-F63 HydrophobicContact SD-CG 4.17Å; T59-F63 WeakPolarHBondContact O-CB 3.47Å; T59-F63 PolarHBondContact O-N 3.29Å; E61-F63 VanDerWaalsContact C-N 3.34Å; E61-F63 PolarHBondContact O-N 3.26Å; F63-R65 VanDerWaalsContact C-N 3.31Å; F63-R65 PolarHBondContact O-N 3.31Å; F63-L66 PolarHBondContact O-N 3.42Å; F63-I67 HydrophobicContact CD2-CD1 4.37Å; F63-I67 HydrophobicContact CD2-CG1 3.86Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 HydrophobicContact CE2-CD1 3.69Å; F63-I67 HydrophobicContact CE2-CG1 3.44Å; F63-I67 VanDerWaalsContact CE2-CG1 3.44Å; F63-I67 HydrophobicContact CZ-CD1 4.21Å; F63-I67 HydrophobicContact CZ-CG1 3.77Å; F63-I67 VanDerWaalsContact O-CG1 3.31Å; F63-I67 WeakPolarHBondContact O-CG1 3.21Å; F63-I67 PolarHBondContact O-N 2.77Å; F63-V150 HydrophobicContact CZ-CG2 4.42Å; F63-F153 AromaticContact CD2-CD1 3.4Å; F63-F153 HydrophobicContact CD2-CD1 3.4Å; F63-F153 VanDerWaalsContact CD2-CD1 3.4Å; F63-F153 HydrophobicContact CD2-CD2 4.12Å; F63-F153 AromaticContact CD2-CE1 3.26Å; F63-F153 HydrophobicContact CD2-CE1 3.26Å; F63-F153 HydrophobicContact CD2-CE2 4.01Å; F63-F153 AromaticContact CD2-CG 3.81Å; F63-F153 HydrophobicContact CD2-CG 3.81Å; F63-F153 AromaticContact CD2-CZ 3.56Å; F63-F153 HydrophobicContact CD2-CZ 3.56Å; F63-F153 HydrophobicContact CE2-CB 3.72Å; F63-F153 AromaticContact CE2-CD1 3.26Å; F63-F153 HydrophobicContact CE2-CD1 3.26Å; F63-F153 AromaticContact CE2-CD2 3.7Å; F63-F153 HydrophobicContact CE2-CD2 3.7Å; F63-F153 AromaticContact CE2-CE1 3.66Å; F63-F153 HydrophobicContact CE2-CE1 3.66Å; F63-F153 HydrophobicContact CE2-CE2 4.06Å; F63-F153 AromaticContact CE2-CG 3.25Å; F63-F153 HydrophobicContact CE2-CG 3.25Å; F63-F153 HydrophobicContact CE2-CZ 4.01Å; F63-F153 HydrophobicContact CG-CE1 4.38Å; F63-F153 HydrophobicContact CZ-CB 4.37Å; F63-F153 HydrophobicContact CZ-CD1 4.4Å; F63-F153 HydrophobicContact CZ-CG 4.32Å
64S58.9Low59.7Low32 Ų3284.3 Ų84.322%0.22440%0.401CS..Hα-helixtrans-58.9-41.8177.9-61.90000112E60 E61 E62 N68E60-S64 WeakPolarHBondContact O-CB 3.33Å; E60-S64 PolarHBondContact O-N 3.34Å; E60-S64 PolarHBondContact O-OG 3.34Å; E61-S64 PolarHBondContact O-N 2.96Å; E62-S64 VanDerWaalsContact C-N 3.35Å; E62-S64 PolarHBondContact O-N 3.36Å; S64-N68 VanDerWaalsContact O-CB 3.24Å; S64-N68 WeakPolarHBondContact O-CB 3.22Å; S64-N68 PolarHBondContact O-N 3.35Å; S64-N68 PolarHBondContact O-ND2 3.41Å
65R61.7Low58.4Low179 Ų17984.6 Ų84.668%0.67540%0.402SS*.Hα-helixtrans-66.9-43.7177.6-74.7-179.176.8171.32.9112.2E61 E62 F63 N68 S69E61-R65 WeakPolarHBondContact O-CB 3.4Å; E61-R65 WeakPolarHBondContact O-CG 3.43Å; E61-R65 PolarHBondContact O-N 2.93Å; E62-R65 PolarHBondContact O-N 3.26Å; F63-R65 VanDerWaalsContact C-N 3.31Å; F63-R65 PolarHBondContact O-N 3.31Å; R65-N68 WeakPolarHBondContact O-CB 3.41Å; R65-N68 PolarHBondContact O-N 3.42Å; R65-S69 WeakPolarHBondContact O-CB 3.2Å; R65-S69 PolarHBondContact O-N 2.98Å
66L54.6Low57.5Low66 Ų6680.3 Ų80.335%0.34639%0.385SS..Hα-helixtrans-67.7-44.8-178-167.5121000111E62 F63 N68 S69 M70 F153 M157E62-L66 VanDerWaalsContact O-CB 3.31Å; E62-L66 WeakPolarHBondContact O-CB 3.27Å; E62-L66 PolarHBondContact O-N 3.42Å; F63-L66 PolarHBondContact O-N 3.42Å; L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 2.94Å; L66-S69 PolarHBondContact O-N 3.2Å; L66-M70 HydrophobicContact CD2-CE 4.09Å; L66-M70 WeakPolarHBondContact O-CG 3.28Å; L66-M70 PolarHBondContact O-N 3.45Å; L66-F153 HydrophobicContact CD2-CE2 3.36Å; L66-F153 HydrophobicContact CD2-CZ 3.81Å; L66-M157 HydrophobicContact CD2-SD 4.44Å
67I53Low56.5Low34 Ų3480.6 Ų80.617%0.17439%0.392CS..Hα-helixtrans-61.4-44.9173.3-59.4-64.7000110.2L8 F63 S69 M70 L71 F153L8-I67 HydrophobicContact CD2-CB 3.65Å; L8-I67 HydrophobicContact CD2-CG2 3.28Å; F63-I67 HydrophobicContact CD2-CD1 4.37Å; F63-I67 HydrophobicContact CD2-CG1 3.86Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 HydrophobicContact CE2-CD1 3.69Å; F63-I67 HydrophobicContact CE2-CG1 3.44Å; F63-I67 VanDerWaalsContact CE2-CG1 3.44Å; F63-I67 HydrophobicContact CZ-CD1 4.21Å; F63-I67 HydrophobicContact CZ-CG1 3.77Å; F63-I67 VanDerWaalsContact O-CG1 3.31Å; F63-I67 WeakPolarHBondContact O-CG1 3.21Å; F63-I67 PolarHBondContact O-N 2.77Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 3.48Å; I67-M70 HydrophobicContact CD1-CE 4Å; I67-M70 PolarHBondContact O-N 3.44Å; I67-L71 WeakPolarHBondContact O-CB 3.14Å; I67-L71 PolarHBondContact O-N 3.48Å; I67-F153 HydrophobicContact CD1-CD2 3.64Å; I67-F153 HydrophobicContact CD1-CE2 4.01Å; I67-F153 HydrophobicContact CD1-CG 4.37Å
68N51.1Low55.3Low48 Ų4881.5 Ų81.526%0.25739%0.394SS..Hα-helixtrans-57.7-41.7176-85-41.9000112.5V4 L8 S64 R65 L66 L71 K72V4-N68 WeakPolarHBondContact CG1-ND2 3.41Å; L8-N68 HydrophobicContact CD2-CB 4.41Å; L8-N68 VanDerWaalsContact CD2-OD1 3.28Å; L8-N68 WeakPolarHBondContact CD2-OD1 3.42Å; L8-N68 WeakPolarHBondContact CG-OD1 3.43Å; S64-N68 VanDerWaalsContact O-CB 3.24Å; S64-N68 WeakPolarHBondContact O-CB 3.22Å; S64-N68 PolarHBondContact O-N 3.35Å; S64-N68 PolarHBondContact O-ND2 3.41Å; R65-N68 WeakPolarHBondContact O-CB 3.41Å; R65-N68 PolarHBondContact O-N 3.42Å; L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 2.94Å; N68-L71 PolarHBondContact O-N 3.4Å; N68-K72 WeakPolarHBondContact O-CB 3.38Å; N68-K72 PolarHBondContact O-N 3.04Å
69S51.1Low54.2Low83 Ų8388.1 Ų88.158%0.5843%0.43SS*.Hα-helixtrans-66.8-47.2179.7-171.70000111.6R65 L66 I67 L71 K72 K73R65-S69 WeakPolarHBondContact O-CB 3.2Å; R65-S69 PolarHBondContact O-N 2.98Å; L66-S69 PolarHBondContact O-N 3.2Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 3.48Å; S69-L71 VanDerWaalsContact C-N 3.27Å; S69-L71 PolarHBondContact O-N 2.85Å; S69-K72 PolarHBondContact O-N 2.85Å; S69-K73 WeakPolarHBondContact O-CB 3.28Å; S69-K73 PolarHBondContact O-N 3.25Å
70M47.6Very low52.6Low105 Ų10586 Ų8652%0.51742%0.417SS..Hα-helixtrans-62.9-38.7176.8-69.1-157.7-6100111.3L66 I67 K73 H74L66-M70 HydrophobicContact CD2-CE 4.09Å; L66-M70 WeakPolarHBondContact O-CG 3.28Å; L66-M70 PolarHBondContact O-N 3.45Å; I67-M70 HydrophobicContact CD1-CE 4Å; I67-M70 PolarHBondContact O-N 3.44Å; M70-K73 PolarHBondContact O-N 3.35Å; M70-H74 WeakPolarHBondContact O-CB 3.16Å; M70-H74 PolarHBondContact O-N 2.96Å
71L49.1Very low51.3Low12 Ų1287.8 Ų87.86%0.06343%0.429CS..Hα-helixtrans-63.6-50.9177.4-169.468.7000111.6I11 L15 I67 N68 S69 K73 H74 I75I11-L71 HydrophobicContact CB-CD1 3.95Å; I11-L71 HydrophobicContact CB-CD2 4.05Å; I11-L71 HydrophobicContact CB-CG 4.42Å; I11-L71 HydrophobicContact CD1-CD2 3.73Å; I11-L71 HydrophobicContact CD1-CG 4.47Å; I11-L71 HydrophobicContact CG1-CD2 4.48Å; I11-L71 HydrophobicContact CG2-CD1 3.47Å; I11-L71 VanDerWaalsContact CG2-CD1 3.47Å; I11-L71 HydrophobicContact CG2-CD2 4.27Å; I11-L71 HydrophobicContact CG2-CG 4.09Å; L15-L71 HydrophobicContact CD1-CD1 4.45Å; I67-L71 WeakPolarHBondContact O-CB 3.14Å; I67-L71 PolarHBondContact O-N 3.48Å; N68-L71 PolarHBondContact O-N 3.4Å; S69-L71 VanDerWaalsContact C-N 3.27Å; S69-L71 PolarHBondContact O-N 2.85Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 2.99Å; L71-H74 PolarHBondContact O-N 3.35Å; L71-H74 VanDerWaalsContact O-N 3.07Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 WeakPolarHBondContact O-CD1 3.34Å; L71-I75 WeakPolarHBondContact O-CG1 3.46Å; L71-I75 PolarHBondContact O-N 3.47Å
72K49.5Very low49.8Very low134 Ų13483.7 Ų83.758%0.58341%0.411SS*.Hα-helixtrans-56.9-45178.6-168.3-177.4-178.5-158.80110.8N68 S69 H74 I75 E76N68-K72 WeakPolarHBondContact O-CB 3.38Å; N68-K72 PolarHBondContact O-N 3.04Å; S69-K72 PolarHBondContact O-N 2.85Å; K72-H74 PolarHBondContact O-N 3.41Å; K72-I75 PolarHBondContact O-N 3.14Å; K72-E76 WeakPolarHBondContact CE-OE1 3.45Å; K72-E76 IonicContact NZ-OE1 3.85Å; K72-E76 VanDerWaalsContact O-CG 3.32Å; K72-E76 WeakPolarHBondContact O-CG 3.45Å; K72-E76 PolarHBondContact O-N 2.96Å
73K51.3Low48.3Very low129 Ų12988.8 Ų88.856%0.56143%0.426SS*.Hα-helixtrans-59.5-45.7174.6-171.3-179.1178.2-176.50111.9S69 M70 L71 I75 E76 D77S69-K73 WeakPolarHBondContact O-CB 3.28Å; S69-K73 PolarHBondContact O-N 3.25Å; M70-K73 PolarHBondContact O-N 3.35Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 2.99Å; K73-I75 PolarHBondContact O-N 3.34Å; K73-E76 PolarHBondContact O-N 3.02Å; K73-D77 WeakPolarHBondContact O-CB 3.5Å; K73-D77 PolarHBondContact O-N 2.76Å
74H45.1Very low46.8Very low65 Ų6592.9 Ų92.930%0.30145%0.448SS..Hα-helixtrans-63.6-39.6179-170.686.7000112.9L15 M70 L71 K72 D77 K78L15-H74 WeakPolarHBondContact CD2-NE2 3.19Å; M70-H74 WeakPolarHBondContact O-CB 3.16Å; M70-H74 PolarHBondContact O-N 2.96Å; L71-H74 PolarHBondContact O-N 3.35Å; L71-H74 VanDerWaalsContact O-N 3.07Å; K72-H74 PolarHBondContact O-N 3.41Å; H74-D77 PolarHBondContact O-N 3.33Å; H74-K78 VanDerWaalsContact O-CB 3.31Å; H74-K78 WeakPolarHBondContact O-CB 3.32Å; H74-K78 PolarHBondContact O-N 3.27Å
75I44.2Very low45.3Very low46 Ų4698.1 Ų98.124%0.23647%0.472CS..Hα-helixtrans-62.2-46.8176.7-65.4160.8000110.5I11 L71 K72 K73 N79 V80 I82I11-I75 HydrophobicContact CD1-CD1 4.34Å; I11-I75 HydrophobicContact CG2-CD1 4.47Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 WeakPolarHBondContact O-CD1 3.34Å; L71-I75 WeakPolarHBondContact O-CG1 3.46Å; L71-I75 PolarHBondContact O-N 3.47Å; K72-I75 PolarHBondContact O-N 3.14Å; K73-I75 PolarHBondContact O-N 3.34Å; I75-N79 WeakPolarHBondContact O-CA 2.92Å; I75-N79 PolarHBondContact O-N 2.79Å; I75-V80 PolarHBondContact O-N 3.44Å; I75-I82 HydrophobicContact CB-CD1 4.31Å; I75-I82 HydrophobicContact CD1-CD1 3.12Å; I75-I82 HydrophobicContact CG1-CD1 3.32Å; I75-I82 HydrophobicContact CG1-CG1 4.46Å; I75-I82 HydrophobicContact CG2-CD1 4Å
76E54Low43.6Very low121 Ų12196.6 Ų96.657%0.56547%0.473SS*.Hα-helixtrans-61.8-47.4176.4-71.6169.5-176.600110.8K72 K73 K78K72-E76 WeakPolarHBondContact CE-OE1 3.45Å; K72-E76 IonicContact NZ-OE1 3.85Å; K72-E76 VanDerWaalsContact O-CG 3.32Å; K72-E76 WeakPolarHBondContact O-CG 3.45Å; K72-E76 PolarHBondContact O-N 2.96Å; K73-E76 PolarHBondContact O-N 3.02Å; E76-K78 PolarHBondContact O-N 2.94Å
77D49.5Very low42.4Very low113 Ų113100.4 Ų100.460%0.60449%0.493SS*.Hα-helixtrans-68.3-35.7-177-72.4-14.5000113.2K73 H74K73-D77 WeakPolarHBondContact O-CB 3.5Å; K73-D77 PolarHBondContact O-N 2.76Å; H74-D77 PolarHBondContact O-N 3.33Å
78K47.6Very low41.1Very low144 Ų144108.1 Ų108.163%0.62653%0.526SS*.Hα-helixtrans-100.2-0.6-175.6-68.4-68.2-173.5177.70113.9H74 E76 V80H74-K78 VanDerWaalsContact O-CB 3.31Å; H74-K78 WeakPolarHBondContact O-CB 3.32Å; H74-K78 PolarHBondContact O-N 3.27Å; E76-K78 PolarHBondContact O-N 2.94Å; K78-V80 HydrophobicContact CB-CG2 3.52Å; K78-V80 PolarHBondContact O-N 3.35Å
79N46.2Very low40.2Very low151 Ų151114.5 Ų114.581%0.80755%0.551SS**THydrogen-bonded Turntrans48.741.1-175.1-16131.7000112.2I75 D81I75-N79 WeakPolarHBondContact O-CA 2.92Å; I75-N79 PolarHBondContact O-N 2.79Å; N79-D81 PolarHBondContact O-N 3.44Å
80V37.6Very low39.1Very low26 Ų26117.1 Ų117.116%0.15856%0.558CS.*  trans-75.8109.7-176.8179.90000108L14 I75 K78 I82L14-V80 HydrophobicContact CD2-CG1 4.13Å; I75-V80 PolarHBondContact O-N 3.44Å; K78-V80 HydrophobicContact CB-CG2 3.52Å; K78-V80 PolarHBondContact O-N 3.35Å; V80-I82 HydrophobicContact CG1-CG1 4.02Å; V80-I82 PolarHBondContact O-N 3.31Å
81D34.2Very low38.2Very low112 Ų112121.3 Ų121.360%0.59957%0.574SS**  trans-69.992.6174-17127.3000109.4N79 R83N79-D81 PolarHBondContact O-N 3.44Å; D81-R83 PolarHBondContact O-N 3.46Å; D81-R83 IonicContact OD2-CZ 3.57Å; D81-R83 IonicContact OD2-NE 3.11Å; D81-R83 PolarHBondContact OD2-NE 3.3Å; D81-R83 VanDerWaalsContact OD2-NE 3.11Å; D81-R83 IonicContact OD2-NH2 3.08Å; D81-R83 PolarHBondContact OD2-NH2 3.42Å; D81-R83 VanDerWaalsContact OD2-NH2 3.08Å
82I34.4Very low37.2Very low45 Ų45130 Ų13023%0.23161%0.613CS.*  trans-81.5105.6178.5-62.2163.2000108.9I11 I75 V80 I84I11-I82 HydrophobicContact CB-CD1 4.42Å; I11-I82 HydrophobicContact CD1-CD1 3.63Å; I11-I82 HydrophobicContact CD1-CG2 4.19Å; I11-I82 HydrophobicContact CG1-CD1 3.82Å; I11-I82 HydrophobicContact CG1-CG1 4.4Å; I11-I82 HydrophobicContact CG1-CG2 3.9Å; I11-I82 HydrophobicContact CG2-CD1 3.65Å; I11-I82 HydrophobicContact CG2-CG1 4.29Å; I75-I82 HydrophobicContact CB-CD1 4.31Å; I75-I82 HydrophobicContact CD1-CD1 3.12Å; I75-I82 HydrophobicContact CG1-CD1 3.32Å; I75-I82 HydrophobicContact CG1-CG1 4.46Å; I75-I82 HydrophobicContact CG2-CD1 4Å; V80-I82 HydrophobicContact CG1-CG1 4.02Å; V80-I82 PolarHBondContact O-N 3.31Å; I82-I84 HydrophobicContact CG2-CG1 3.88Å; I82-I84 PolarHBondContact O-N 3.33Å
83R30.6Very low36.2Very low199 Ų199129.4 Ų129.475%0.75162%0.623SS**  trans-9197.6165.1-60.8-176.8-166-174.54.6108.4D81 I85D81-R83 PolarHBondContact O-N 3.46Å; D81-R83 IonicContact OD2-CZ 3.57Å; D81-R83 IonicContact OD2-NE 3.11Å; D81-R83 PolarHBondContact OD2-NE 3.3Å; D81-R83 VanDerWaalsContact OD2-NE 3.11Å; D81-R83 IonicContact OD2-NH2 3.08Å; D81-R83 PolarHBondContact OD2-NH2 3.42Å; D81-R83 VanDerWaalsContact OD2-NH2 3.08Å; R83-I85 PolarHBondContact O-N 3.44Å
84I31.6Very low35.2Very low106 Ų106129 Ų12954%0.54463%0.632SS.*  trans-66.4103.5166.6-57.2177.9000106.1I82 E86I82-I84 HydrophobicContact CG2-CG1 3.88Å; I82-I84 PolarHBondContact O-N 3.33Å; I84-E86 HydrophobicContact CG2-CG 4.03Å; I84-E86 PolarHBondContact O-N 2.88Å
85I27.4Very low34.3Very low143 Ų143133.9 Ų133.973%0.73366%0.655SS**  trans-72.183.8168.2-54.9176.5000105.9R83 N87R83-I85 PolarHBondContact O-N 3.44Å; I85-N87 PolarHBondContact O-N 3.44Å
86E26.1Very low33.6Very low147 Ų147142 Ų14269%0.68769%0.688SS**  trans-61.5109.3159.7-73.9-168.5160.300105.6I84 K88I84-E86 HydrophobicContact CG2-CG 4.03Å; I84-E86 PolarHBondContact O-N 2.88Å; E86-K88 PolarHBondContact O-N 2.85Å
87N30.2Very low32.2Very low146 Ų146142.1 Ų142.178%0.78170%0.698SS**  trans-55.196.3169.5-84.6-34.4000107.1I85 K89I85-N87 PolarHBondContact O-N 3.44Å; N87-K89 PolarHBondContact O-N 3.47Å
88K25.5Very low31.1Very low196 Ų196141.4 Ų141.485%0.85270%0.702SS**  trans-53.6103.4155.5-87.7-177.4175.61770104.2E86 D90E86-K88 PolarHBondContact O-N 2.85Å; K88-D90 PolarHBondContact O-N 3.33Å
89K30.8Very low30.2Very low182 Ų182140.6 Ų140.679%0.79170%0.704SS**SBendtrans-47.1136.3157.9-75.8-179.1174.4-179.50105.6N87N87-K89 PolarHBondContact O-N 3.47Å
90D29.5Very low29.4Very low138 Ų138139.2 Ų139.274%0.73870%0.701SS**  trans85.886.1171.1-40.7-39.8000115.1K88K88-D90 PolarHBondContact O-N 3.33Å
91K28.2Very low29Very low193 Ų193146 Ų14684%0.83973%0.731SS**  177.8118.799.6-90.6168.1-174.2-176.60108.9P93K91-P93 VanDerWaalsContact O-CD 3.22Å; K91-P93 WeakPolarHBondContact O-CD 3.4Å
92H27Very low28.7Very low193 Ų193146 Ų14689%0.89474%0.735SS**  trans-45.6132.4166.2-89.2-81.8000111.4
93P30.5Very low28.4Very low122 Ų122150.9 Ų150.979%0.79276%0.76SS**  trans-115.8117.7143.29.413.1000108.4K91K91-P93 VanDerWaalsContact O-CD 3.22Å; K91-P93 WeakPolarHBondContact O-CD 3.4Å
94T29.3Very low28.2Very low120 Ų120150.2 Ų150.274%0.73676%0.763SS**  trans-40.1132.5175.5-36.70000113.9
95Q26.9Very low28Very low169 Ų169156.2 Ų156.279%0.7978%0.779SS**  trans4121.7153.8-70.7168-30.500117.4
96K28.4Very low28Very low215 Ų215155.4 Ų155.494%0.93578%0.78SS**  trans-119.4105.7139.6-78.9-170.3177-177.10109.1
97T24.7Very low28.2Very low124 Ų124154.6 Ų154.676%0.76179%0.785SS**  trans-56.8127.9166.6-31.90000109.7
98S27.7Very low28.1Very low99 Ų99153 Ų15369%0.69278%0.783SS**  trans-157.4127.1143.9-146.50000109.7
99D27.6Very low28.2Very low127 Ų127152.8 Ų152.868%0.67978%0.782SS**  trans75.977.7156.7-50.7-43.1000118.7H101D99-H101 VanDerWaalsContact C-N 3.29Å; D99-H101 PolarHBondContact O-N 3.06Å
100T29.1Very low28.2Very low121 Ų121150 Ų15074%0.74278%0.783SS**  trans-50.278.7158.5-32.10000112.3T102T100-T102 VanDerWaalsContact C-N 3.26Å; T100-T102 PolarHBondContact O-N 2.91Å
101H29.2Very low28.3Very low170 Ų170149.4 Ų149.479%0.78778%0.784SS**  trans-68.392.5157.2-78.1-60000108.5D99 I103D99-H101 VanDerWaalsContact C-N 3.29Å; D99-H101 PolarHBondContact O-N 3.06Å; H101-I103 PolarHBondContact O-N 3.47Å
102T28.4Very low28.3Very low111 Ų111146.2 Ų146.268%0.68178%0.781SS**  trans-68.783.7174-56.50000108.5T100 K104T100-T102 VanDerWaalsContact C-N 3.26Å; T100-T102 PolarHBondContact O-N 2.91Å; T102-K104 PolarHBondContact O-N 3.03Å; T102-K104 VanDerWaalsContact O-N 3.11Å
103I28.2Very low28.5Very low147 Ų147142.6 Ų142.675%0.75478%0.775SS**  trans-73.4100.6167.1-60.2172.7000106H101 R105H101-I103 PolarHBondContact O-N 3.47Å; I103-R105 VanDerWaalsContact C-N 3.33Å; I103-R105 PolarHBondContact O-N 3.33Å
104K25.4Very low28.3Very low186 Ų186146.1 Ų146.181%0.80978%0.778SS**  trans-58.897.6169.5-84.8-178.3176.3176.60108.2T102 T106T102-K104 PolarHBondContact O-N 3.03Å; T102-K104 VanDerWaalsContact O-N 3.11Å; K104-T106 PolarHBondContact O-N 3.48Å
105R28.5Very low28.1Very low232 Ų232148 Ų14888%0.87578%0.778SS**  trans-71.489.8176.4-152.5178.3-170.1-172.23.5108.1I103 T107I103-R105 VanDerWaalsContact C-N 3.33Å; I103-R105 PolarHBondContact O-N 3.33Å; R105-T107 PolarHBondContact O-N 3.01Å; R105-T107 VanDerWaalsContact O-N 3.09Å
106T27.8Very low28.1Very low126 Ų126147.8 Ų147.877%0.77378%0.78SS**  trans-66.4103.9165.9300000107.7K104 P108K104-T106 PolarHBondContact O-N 3.48Å; T106-P108 WeakPolarHBondContact O-CD 3.29Å
107T29.4Very low28.2Very low129 Ų129143 Ų14379%0.79177%0.765SS**  trans-61.6112173.7-40.40000108.4R105 K109R105-T107 PolarHBondContact O-N 3.01Å; R105-T107 VanDerWaalsContact O-N 3.09Å; T107-K109 PolarHBondContact O-N 3.09Å
108P28.3Very low28.4Very low114 Ų114143.9 Ų143.974%0.7477%0.765SS**  trans-68.9126.5171.9-10.828000107.2T106T106-P108 WeakPolarHBondContact O-CD 3.29Å
109K28.2Very low28.5Very low191 Ų191143.1 Ų143.183%0.8377%0.773SS**  trans-51.9131.8172.7-128.8174.2-176.9177.50108.2T107 T111T107-K109 PolarHBondContact O-N 3.09Å; K109-T111 PolarHBondContact O-N 3.14Å
110P30.2Very low28.6Very low123 Ų123142.2 Ų142.280%0.79977%0.772SS**  trans-64.5103.9-177.825.2-31.9000108.7T112P110-T112 PolarHBondContact O-N 3.27Å; P110-T112 VanDerWaalsContact O-N 3.15Å
111T31.1Very low29.1Very low126 Ų126141.6 Ų141.677%0.77377%0.773SS**  trans-67.2110.4164.433.90000107.1K109K109-T111 PolarHBondContact O-N 3.14Å
112T29.4Very low29.9Very low125 Ų125139.8 Ų139.877%0.76777%0.769SS**  trans-40.8123170.5-47.10000109.3P110 K114P110-T112 PolarHBondContact O-N 3.27Å; P110-T112 VanDerWaalsContact O-N 3.15Å; T112-K114 PolarHBondContact O-N 3.09Å; T112-K114 VanDerWaalsContact O-N 3.09Å
113P30.9Very low31Very low117 Ų117141.3 Ų141.376%0.7677%0.766SS**  trans-59119.9176.2-11.922.6000107.5Q115P113-Q115 PolarHBondContact O-N 3.46Å
114K26.4Very low32.1Very low197 Ų197134.7 Ų134.786%0.85773%0.733SS**  trans-57.4113.8165.2-79.7-179.1174.8-179.20106T112 I116T112-K114 PolarHBondContact O-N 3.09Å; T112-K114 VanDerWaalsContact O-N 3.09Å; K114-I116 PolarHBondContact O-N 3.48Å
115Q25.3Very low33.6Very low160 Ų160134.3 Ų134.375%0.74873%0.731SS**  trans-51.5107.5163.2-92.2-176.4-18.900106.6P113 N117P113-Q115 PolarHBondContact O-N 3.46Å; Q115-N117 PolarHBondContact O-N 3.39Å; Q115-N117 PolarHBondContact OE1-ND2 3.15Å
116I26.8Very low34.7Very low163 Ų163125.1 Ų125.184%0.83670%0.702SS**  trans-73.983.1158.9-59.2173.4000103.5K114 D118K114-I116 PolarHBondContact O-N 3.48Å; I116-D118 PolarHBondContact O-N 3.47Å
117N30.1Very low35.7Very low116 Ų116120.4 Ų120.462%0.6267%0.672SS**  trans-78.397.2161.6-73.4-25.9000105.2Q115Q115-N117 PolarHBondContact O-N 3.39Å; Q115-N117 PolarHBondContact OE1-ND2 3.15Å
118D29Very low36.5Very low142 Ų142116.7 Ų116.776%0.75965%0.654SS**  trans-144.2107147.1-105.3-28.9000107.8I116 T120I116-D118 PolarHBondContact O-N 3.47Å; D118-T120 PolarHBondContact O-N 2.93Å
119G29.1Very low37.4Very low83 Ų83113.5 Ų113.586%0.85663%0.631SS**  trans-70.396.1177.700000109.6
120T29.6Very low38.3Very low107 Ų107104.9 Ų104.966%0.65659%0.594SS**  trans-141.3118.2153.826.30000106.5D118 D122D118-T120 PolarHBondContact O-N 2.93Å; T120-D122 PolarHBondContact O-N 3.37Å
121S39.9Very low38.9Very low108 Ų108101.6 Ų101.676%0.75557%0.567SS**  trans-43.397.1171.8157.40000110.3K123S121-K123 PolarHBondContact O-N 3.25Å
122D47.3Very low39.3Very low132 Ų132100.8 Ų100.871%0.70656%0.557SS**  trans-69.768.9-179.2-79-31000110.1T120 P124T120-D122 PolarHBondContact O-N 3.37Å; D122-P124 WeakPolarHBondContact O-CD 3.41Å
123K51.4Low39.6Very low143 Ų14399 Ų9962%0.62254%0.542SS*.  trans-65.6122.6158.3-82.2-175.9176.8-179.60106.3S121 K125S121-K123 PolarHBondContact O-N 3.25Å; K123-K125 PolarHBondContact O-N 3.47Å; K123-K125 VanDerWaalsContact O-N 3.09Å
124P50Low40Very low9 Ų996.6 Ų96.66%0.05852%0.523CS..  trans-59.6119.1177.324.5-32.2000108.2L44 Y48 D122 D129 F130L44-P124 HydrophobicContact CD1-CG 3.94Å; L44-P124 HydrophobicContact CG-CG 4.14Å; Y48-P124 HydrophobicContact CD2-CB 4.3Å; Y48-P124 HydrophobicContact CD2-CG 4.26Å; Y48-P124 WeakPolarHBondContact CD2-O 3.49Å; D122-P124 WeakPolarHBondContact O-CD 3.41Å; P124-D129 HydrophobicContact CB-CB 3.99Å; P124-F130 HydrophobicContact CB-CD2 3.91Å; P124-F130 HydrophobicContact CB-CE2 3.6Å; P124-F130 HydrophobicContact CB-CZ 4.21Å; P124-F130 HydrophobicContact CG-CD2 4.45Å; P124-F130 HydrophobicContact CG-CE2 3.76Å; P124-F130 HydrophobicContact CG-CZ 3.86Å
125K56.6Low40.6Very low177 Ų17795.5 Ų95.577%0.7752%0.518SS*.SBendtrans-85-24.9175.1-67.9178.9-178.5174.10110.7R52 K123 D129R52-K125 PolarHBondContact NH2-O 2.92Å; K123-K125 PolarHBondContact O-N 3.47Å; K123-K125 VanDerWaalsContact O-N 3.09Å; K125-D129 WeakPolarHBondContact CA-OD2 3.47Å; K125-D129 PolarHBondContact N-OD2 2.81Å
126S52.8Low41.3Very low39 Ų3990.6 Ų90.627%0.27350%0.5SS..SBendtrans-138.7157.5-179.972.10000111.6A128 D129S126-A128 PolarHBondContact O-N 2.88Å; S126-A128 VanDerWaalsContact O-N 3.15Å; S126-A128 PolarHBondContact OG-N 2.7Å; S126-D129 PolarHBondContact N-OD2 3.28Å; S126-D129 WeakPolarHBondContact O-CB 3.15Å; S126-D129 PolarHBondContact O-N 3.3Å; S126-D129 PolarHBondContact OG-N 3.02Å; S126-D129 PolarHBondContact OG-OD1 2.65Å; S126-D129 PolarHBondContact OG-OD2 3.47Å
127I48.5Very low41.8Very low28 Ų2892.6 Ų92.614%0.14450%0.503CS..THydrogen-bonded Turntrans-55.1-30.8171.1-66.4168.5000111Y48 D129 F130 F131 G158 E162Y48-I127 HydrophobicContact CE1-CG1 3.87Å; I127-D129 VanDerWaalsContact C-N 3.27Å; I127-D129 PolarHBondContact O-N 3.12Å; I127-F130 WeakPolarHBondContact O-CB 3.11Å; I127-F130 PolarHBondContact O-N 3.28Å; I127-F131 HydrophobicContact CG2-CE2 4.07Å; I127-F131 VanDerWaalsContact O-CD2 3.24Å; I127-F131 WeakPolarHBondContact O-CD2 3.35Å; I127-F131 WeakPolarHBondContact O-CE2 3.38Å; I127-G158 VanDerWaalsContact CD1-C 3.41Å; I127-E162 VanDerWaalsContact CD1-OE2 3.3Å; I127-E162 WeakPolarHBondContact CD1-OE2 3.46Å
128A45.5Very low42Very low50 Ų5090.2 Ų90.241%0.41349%0.493SS..THydrogen-bonded Turntrans-63-31.1176.900000113S126 F130 F131 L132S126-A128 PolarHBondContact O-N 2.88Å; S126-A128 VanDerWaalsContact O-N 3.15Å; S126-A128 PolarHBondContact OG-N 2.7Å; A128-F130 PolarHBondContact O-N 2.84Å; A128-F131 WeakPolarHBondContact O-CB 3.01Å; A128-F131 PolarHBondContact O-N 3.03Å; A128-L132 PolarHBondContact O-N 2.91Å
129D48.6Very low42.6Very low48 Ų4885.4 Ų85.426%0.25747%0.469SS..Hα-helixtrans-65.7-28.1-179.8-60.1-29.9000111.6P124 K125 S126 I127 F131 L132 I133P124-D129 HydrophobicContact CB-CB 3.99Å; K125-D129 WeakPolarHBondContact CA-OD2 3.47Å; K125-D129 PolarHBondContact N-OD2 2.81Å; S126-D129 PolarHBondContact N-OD2 3.28Å; S126-D129 WeakPolarHBondContact O-CB 3.15Å; S126-D129 PolarHBondContact O-N 3.3Å; S126-D129 PolarHBondContact OG-N 3.02Å; S126-D129 PolarHBondContact OG-OD1 2.65Å; S126-D129 PolarHBondContact OG-OD2 3.47Å; I127-D129 VanDerWaalsContact C-N 3.27Å; I127-D129 PolarHBondContact O-N 3.12Å; D129-F131 PolarHBondContact O-N 3.36Å; D129-L132 PolarHBondContact O-N 3.47Å; D129-I133 WeakPolarHBondContact O-CG1 3.34Å
130F46.1Very low43.2Very low9 Ų982.1 Ų82.14%0.03943%0.432CS..Hα-helixtrans-60.4-27.2173.1-74.7-99.9000113.2L44 Y48 P124 I127 A128 V154L44-F130 HydrophobicContact CB-CE1 3.8Å; L44-F130 HydrophobicContact CD2-CD1 3.43Å; L44-F130 VanDerWaalsContact CD2-CD1 3.43Å; L44-F130 HydrophobicContact CD2-CE1 3.48Å; L44-F130 VanDerWaalsContact CD2-CE1 3.48Å; L44-F130 HydrophobicContact CD2-CG 4.29Å; L44-F130 HydrophobicContact CD2-CZ 4.37Å; L44-F130 HydrophobicContact CG-CD1 3.91Å; L44-F130 HydrophobicContact CG-CE1 3.38Å; L44-F130 HydrophobicContact CG-CZ 3.96Å; L44-F130 WeakPolarHBondContact O-CZ 3.45Å; Y48-F130 HydrophobicContact CD1-CE2 4.3Å; Y48-F130 AromaticContact CD2-CE2 3.86Å; Y48-F130 HydrophobicContact CD2-CE2 3.86Å; Y48-F130 HydrophobicContact CD2-CZ 4.48Å; Y48-F130 AromaticContact CG-CE2 3.72Å; Y48-F130 HydrophobicContact CG-CE2 3.72Å; Y48-F130 AromaticContact CG-CZ 3.98Å; Y48-F130 HydrophobicContact CG-CZ 3.98Å; P124-F130 HydrophobicContact CB-CD2 3.91Å; P124-F130 HydrophobicContact CB-CE2 3.6Å; P124-F130 HydrophobicContact CB-CZ 4.21Å; P124-F130 HydrophobicContact CG-CD2 4.45Å; P124-F130 HydrophobicContact CG-CE2 3.76Å; P124-F130 HydrophobicContact CG-CZ 3.86Å; I127-F130 WeakPolarHBondContact O-CB 3.11Å; I127-F130 PolarHBondContact O-N 3.28Å; A128-F130 PolarHBondContact O-N 2.84Å; F130-V154 HydrophobicContact CD1-CG1 3.52Å; F130-V154 HydrophobicContact CE1-CG1 3.54Å; F130-V154 HydrophobicContact CG-CG1 4.28Å; F130-V154 HydrophobicContact CZ-CG1 4.32Å
131F42.7Very low43.9Very low54 Ų5479.8 Ų79.824%0.23741%0.411CS..Hα-helixtrans-90.1-35.9-178.6-62.4-101.8000113.3I127 A128 D129 I133 N134 Q155 P172I127-F131 HydrophobicContact CG2-CE2 4.07Å; I127-F131 VanDerWaalsContact O-CD2 3.24Å; I127-F131 WeakPolarHBondContact O-CD2 3.35Å; I127-F131 WeakPolarHBondContact O-CE2 3.38Å; A128-F131 WeakPolarHBondContact O-CB 3.01Å; A128-F131 PolarHBondContact O-N 3.03Å; D129-F131 PolarHBondContact O-N 3.36Å; F131-I133 PolarHBondContact O-N 2.9Å; F131-N134 PolarHBondContact O-N 3.35Å; F131-Q155 HydrophobicContact CE1-CG 3.85Å; F131-Q155 HydrophobicContact CE2-CG 3.64Å; F131-Q155 HydrophobicContact CZ-CB 4.36Å; F131-Q155 HydrophobicContact CZ-CG 3.24Å; F131-Q155 VanDerWaalsContact CZ-NE2 3.33Å; F131-P172 HydrophobicContact CE1-CG 4.24Å
132L39.3Very low43.7Very low109 Ų10979.3 Ų79.357%0.57140%0.399SS*.Hα-helixtrans-62.1-30.6-176.6-88.6159.9000111.8A128 D129 N134A128-L132 PolarHBondContact O-N 2.91Å; D129-L132 PolarHBondContact O-N 3.47Å; L132-N134 PolarHBondContact O-N 3.32Å; L132-N134 VanDerWaalsContact O-N 3.14Å
133I35.8Very low43.6Very low88 Ų8877.8 Ų77.845%0.45139%0.394SS..THydrogen-bonded Turntrans-57.2-31.7-179-64.4167.3000111.8L44 D129 F131L44-I133 HydrophobicContact CD2-CD1 4.22Å; D129-I133 WeakPolarHBondContact O-CG1 3.34Å; F131-I133 PolarHBondContact O-N 2.9Å
134N39.6Very low43.5Very low67 Ų6772.5 Ų72.536%0.35837%0.373SS..THydrogen-bonded Turntrans-139.766.1-176.3-76.5-30000111.7F131 L132 P136F131-N134 PolarHBondContact O-N 3.35Å; L132-N134 PolarHBondContact O-N 3.32Å; L132-N134 VanDerWaalsContact O-N 3.14Å; N134-P136 WeakPolarHBondContact O-CD 3.32Å; N134-P136 VanDerWaalsContact O-N 3.16Å
135K39.6Very low43.6Very low173 Ų17372.9 Ų72.975%0.75238%0.375SS*.  trans-70.2100159.4-79.8-173.1-179.7178.30108.6
136P38.4Very low43.4Very low57 Ų5765.1 Ų65.137%0.3734%0.342SS..  trans-85.9147.917716.36.3000107.8N134 V138 L140N134-P136 WeakPolarHBondContact O-CD 3.32Å; N134-P136 VanDerWaalsContact O-N 3.16Å; P136-V138 VanDerWaalsContact CB-O 3.31Å; P136-V138 WeakPolarHBondContact CB-O 3.2Å; P136-V138 WeakPolarHBondContact CG-O 3.42Å; P136-V138 PolarHBondContact O-N 3.07Å; P136-V138 VanDerWaalsContact O-N 3.07Å; P136-L140 HydrophobicContact CB-CG 4.39Å; P136-L140 HydrophobicContact CG-CB 4.3Å; P136-L140 HydrophobicContact CG-CD1 3.25Å; P136-L140 HydrophobicContact CG-CD2 4.33Å; P136-L140 HydrophobicContact CG-CG 3.32Å
137K37.6Very low43.6Very low205 Ų20565.8 Ų65.889%0.89134%0.339SS*.SBendtrans-64.3-11.6175.2-69.3-176.7176.6-178.70113.4
138V35.4Very low43.9Very low67 Ų6766.3 Ų66.341%0.40634%0.34SS..SBendtrans-127.2137.5179.6-1760000106.7P136 L140 I142 V143P136-V138 VanDerWaalsContact CB-O 3.31Å; P136-V138 WeakPolarHBondContact CB-O 3.2Å; P136-V138 WeakPolarHBondContact CG-O 3.42Å; P136-V138 PolarHBondContact O-N 3.07Å; P136-V138 VanDerWaalsContact O-N 3.07Å; V138-L140 PolarHBondContact O-N 3.33Å; V138-L140 VanDerWaalsContact O-N 3.13Å; V138-I142 HydrophobicContact CG1-CB 4.18Å; V138-I142 HydrophobicContact CG1-CD1 4.31Å; V138-I142 HydrophobicContact CG1-CG2 4.33Å; V138-V143 HydrophobicContact CB-CG2 3.73Å; V138-V143 HydrophobicContact CG1-CG2 3.54Å
139P40.5Very low44.4Very low41 Ų4165.2 Ų65.227%0.26633%0.326SS..  trans-49.6123.3175.6-25.831.6000111.2W141 I142 Y175P139-W141 VanDerWaalsContact CB-CD1 3.45Å; P139-W141 HydrophobicContact CB-CD2 4.46Å; P139-W141 HydrophobicContact CB-CG 4.25Å; P139-W141 HydrophobicContact CB-CZ2 4.48Å; P139-W141 PolarHBondContact O-N 2.85Å; P139-I142 HydrophobicContact CB-CD1 4.14Å; P139-I142 HydrophobicContact CB-CG1 4.26Å; P139-I142 HydrophobicContact CG-CD1 4Å; P139-I142 WeakPolarHBondContact O-CB 3.42Å; P139-I142 PolarHBondContact O-N 3.33Å; P139-Y175 HydrophobicContact CB-CE1 4.01Å
140L42.2Very low44.9Very low14 Ų1462.9 Ų62.97%0.07331%0.314CS..Hα-helixtrans-54-30.6-174.7-96.1137.3000112.7P136 V138 I142 V143 N144 Y147 Y148 E151P136-L140 HydrophobicContact CB-CG 4.39Å; P136-L140 HydrophobicContact CG-CB 4.3Å; P136-L140 HydrophobicContact CG-CD1 3.25Å; P136-L140 HydrophobicContact CG-CD2 4.33Å; P136-L140 HydrophobicContact CG-CG 3.32Å; V138-L140 PolarHBondContact O-N 3.33Å; V138-L140 VanDerWaalsContact O-N 3.13Å; L140-I142 VanDerWaalsContact C-N 3.27Å; L140-I142 PolarHBondContact O-N 3.02Å; L140-V143 PolarHBondContact O-N 3.44Å; L140-N144 CarbonylContact O-C 3.57Å; L140-N144 VanDerWaalsContact O-C 3.23Å; L140-N144 PolarHBondContact O-N 3.42Å; L140-N144 VanDerWaalsContact O-O 3.13Å; L140-Y147 HydrophobicContact CD2-CD1 4.19Å; L140-Y147 HydrophobicContact CD2-CG 4.41Å; L140-Y148 HydrophobicContact CB-CD2 4.45Å; L140-E151 WeakPolarHBondContact CD1-OE2 3.33Å
141W44.5Very low45.6Very low57 Ų5763.1 Ų63.122%0.21632%0.315CS..Hα-helixtrans-65-29.217964.1-97.2000113.4I16 Y22 P139 P145 Y148I16-W141 HydrophobicContact CG2-CE3 4.38Å; Y22-W141 HydrophobicContact CD2-CZ3 4.23Å; Y22-W141 HydrophobicContact CE2-CH2 4.46Å; P139-W141 VanDerWaalsContact CB-CD1 3.45Å; P139-W141 HydrophobicContact CB-CD2 4.46Å; P139-W141 HydrophobicContact CB-CG 4.25Å; P139-W141 HydrophobicContact CB-CZ2 4.48Å; P139-W141 PolarHBondContact O-N 2.85Å; W141-P145 WeakPolarHBondContact O-CD 3.44Å; W141-Y148 HydrophobicContact CB-CD1 3.89Å; W141-Y148 HydrophobicContact CB-CD2 4.07Å; W141-Y148 HydrophobicContact CB-CE1 4.37Å; W141-Y148 HydrophobicContact CB-CG 3.72Å
142I35.7Very low46.3Very low98 Ų9862 Ų6250%0.50331%0.31SS..Hα-helixtrans-73.3-41.5175-60.7176.7000110.1V138 P139 L140V138-I142 HydrophobicContact CG1-CB 4.18Å; V138-I142 HydrophobicContact CG1-CD1 4.31Å; V138-I142 HydrophobicContact CG1-CG2 4.33Å; P139-I142 HydrophobicContact CB-CD1 4.14Å; P139-I142 HydrophobicContact CB-CG1 4.26Å; P139-I142 HydrophobicContact CG-CD1 4Å; P139-I142 WeakPolarHBondContact O-CB 3.42Å; P139-I142 PolarHBondContact O-N 3.33Å; L140-I142 VanDerWaalsContact C-N 3.27Å; L140-I142 PolarHBondContact O-N 3.02Å
143V44.2Very low47.3Very low101 Ų10157.1 Ų57.161%0.61228%0.284SS*.Hα-helixtrans-84.9-41-170.3-171.50000111.6V138 L140V138-V143 HydrophobicContact CB-CG2 3.73Å; V138-V143 HydrophobicContact CG1-CG2 3.54Å; L140-V143 PolarHBondContact O-N 3.44Å
144N50.5Low48.5Very low31 Ų3153.1 Ų53.117%0.16626%0.264CS..  trans-156.388.9-178.6-164.6-29.6000110.7Q34 L140 L146 Y147 Y148Q34-N144 PolarHBondContact NE2-ND2 3.25Å; L140-N144 CarbonylContact O-C 3.57Å; L140-N144 VanDerWaalsContact O-C 3.23Å; L140-N144 PolarHBondContact O-N 3.42Å; L140-N144 VanDerWaalsContact O-O 3.13Å; N144-L146 PolarHBondContact O-N 2.91Å; N144-L146 VanDerWaalsContact O-N 3.15Å; N144-L146 PolarHBondContact OD1-N 3.15Å; N144-Y147 HydrophobicContact CB-CD2 4.03Å; N144-Y147 HydrophobicContact CB-CG 4.04Å; N144-Y147 WeakPolarHBondContact ND2-CD2 3.45Å; N144-Y147 WeakPolarHBondContact ND2-CE2 3.45Å; N144-Y147 WeakPolarHBondContact O-CB 3.31Å; N144-Y147 PolarHBondContact O-N 3.13Å; N144-Y147 WeakPolarHBondContact OD1-CD2 3.49Å; N144-Y147 PolarHBondContact OD1-N 2.84Å; N144-Y148 PolarHBondContact O-N 3.03Å
145P51.1Low49.3Very low18 Ų1851.1 Ų51.112%0.11725%0.252CS..Hα-helixtrans-58.8-29.5-17710.9-20.9000113.6I24 W141 Y147 Y148 M149I24-P145 HydrophobicContact CB-CG 4.35Å; I24-P145 HydrophobicContact CD1-CB 4.12Å; I24-P145 HydrophobicContact CD1-CG 4.1Å; I24-P145 HydrophobicContact CG1-CG 4.11Å; I24-P145 HydrophobicContact CG2-CB 4.33Å; I24-P145 HydrophobicContact CG2-CG 3.35Å; W141-P145 WeakPolarHBondContact O-CD 3.44Å; P145-Y147 VanDerWaalsContact C-N 3.33Å; P145-Y147 PolarHBondContact O-N 2.93Å; P145-Y148 PolarHBondContact O-N 3.09Å; P145-M149 VanDerWaalsContact O-CG 3.29Å; P145-M149 WeakPolarHBondContact O-CG 3.31Å; P145-M149 PolarHBondContact O-N 2.95Å
146L53.2Low50Low13 Ų1346 Ų467%0.06823%0.232CC..Hα-helixtrans-62.1-42.4172.6178.865.3000111.8I9 Q34 V38 N144 Y148 M149 V150I9-L146 HydrophobicContact CD1-CB 4.36Å; I9-L146 HydrophobicContact CD1-CD1 3.29Å; I9-L146 HydrophobicContact CD1-CD2 4.12Å; I9-L146 HydrophobicContact CD1-CG 4.09Å; I9-L146 HydrophobicContact CG1-CD1 3.94Å; Q34-L146 HydrophobicContact CB-CD2 3.72Å; Q34-L146 HydrophobicContact CG-CD2 4.16Å; V38-L146 HydrophobicContact CG2-CD1 4.31Å; V38-L146 HydrophobicContact CG2-CD2 4.05Å; V38-L146 HydrophobicContact CG2-CG 4.34Å; N144-L146 PolarHBondContact O-N 2.91Å; N144-L146 VanDerWaalsContact O-N 3.15Å; N144-L146 PolarHBondContact OD1-N 3.15Å; L146-Y148 VanDerWaalsContact C-N 3.3Å; L146-Y148 PolarHBondContact O-N 2.9Å; L146-M149 HydrophobicContact CB-CE 4.31Å; L146-M149 HydrophobicContact CD1-CE 4.01Å; L146-M149 PolarHBondContact O-N 3.07Å; L146-V150 HydrophobicContact CD1-CG2 4.03Å; L146-V150 HydrophobicContact CG-CG2 4.34Å; L146-V150 WeakPolarHBondContact O-CG2 3.44Å; L146-V150 PolarHBondContact O-N 2.78Å
147Y57.2Low50.8Low54 Ų5444 Ų4421%0.21222%0.219CC..Hα-helixtrans-62.9-44.1-179.7-80.5-137.2000110.4Q34 Y37 L140 N144 P145 V150 E151Q34-Y147 HydrophobicContact CG-CE2 4.13Å; Y37-Y147 AromaticContact CD1-CD1 3.94Å; Y37-Y147 HydrophobicContact CD1-CD1 3.94Å; Y37-Y147 AromaticContact CD1-CD2 3.64Å; Y37-Y147 HydrophobicContact CD1-CD2 3.64Å; Y37-Y147 HydrophobicContact CD1-CE1 4.04Å; Y37-Y147 AromaticContact CD1-CE2 3.73Å; Y37-Y147 HydrophobicContact CD1-CE2 3.73Å; Y37-Y147 AromaticContact CD1-CG 3.74Å; Y37-Y147 HydrophobicContact CD1-CG 3.74Å; Y37-Y147 AromaticContact CD1-CZ 3.94Å; Y37-Y147 AromaticContact CD2-CD1 3.7Å; Y37-Y147 HydrophobicContact CD2-CD1 3.7Å; Y37-Y147 AromaticContact CD2-CE1 3.21Å; Y37-Y147 HydrophobicContact CD2-CE1 3.21Å; Y37-Y147 HydrophobicContact CD2-CE2 4.17Å; Y37-Y147 HydrophobicContact CD2-CG 4.35Å; Y37-Y147 AromaticContact CD2-CZ 3.49Å; Y37-Y147 VanDerWaalsContact CD2-CZ 3.49Å; Y37-Y147 AromaticContact CE1-CD1 3.61Å; Y37-Y147 HydrophobicContact CE1-CD1 3.61Å; Y37-Y147 AromaticContact CE1-CD2 3.84Å; Y37-Y147 HydrophobicContact CE1-CD2 3.84Å; Y37-Y147 HydrophobicContact CE1-CE1 4.12Å; Y37-Y147 HydrophobicContact CE1-CE2 4.31Å; Y37-Y147 AromaticContact CE1-CG 3.46Å; Y37-Y147 HydrophobicContact CE1-CG 3.46Å; Y37-Y147 VanDerWaalsContact CE1-CG 3.46Å; Y37-Y147 AromaticContact CE2-CD1 3.31Å; Y37-Y147 HydrophobicContact CE2-CD1 3.31Å; Y37-Y147 AromaticContact CE2-CE1 3.28Å; Y37-Y147 HydrophobicContact CE2-CE1 3.28Å; Y37-Y147 HydrophobicContact CE2-CG 4.07Å; Y37-Y147 AromaticContact CG-CD1 3.96Å; Y37-Y147 HydrophobicContact CG-CD1 3.96Å; Y37-Y147 HydrophobicContact CG-CD2 4.01Å; Y37-Y147 AromaticContact CG-CE1 3.58Å; Y37-Y147 HydrophobicContact CG-CE1 3.58Å; Y37-Y147 AromaticContact CG-CE2 3.62Å; Y37-Y147 HydrophobicContact CG-CE2 3.62Å; Y37-Y147 HydrophobicContact CG-CG 4.16Å; Y37-Y147 AromaticContact CG-CZ 3.4Å; Y37-Y147 AromaticContact CZ-CD1 3.23Å; Y37-Y147 AromaticContact CZ-CE1 3.73Å; Y37-Y147 AromaticContact CZ-CG 3.59Å; L140-Y147 HydrophobicContact CD2-CD1 4.19Å; L140-Y147 HydrophobicContact CD2-CG 4.41Å; N144-Y147 HydrophobicContact CB-CD2 4.03Å; N144-Y147 HydrophobicContact CB-CG 4.04Å; N144-Y147 WeakPolarHBondContact ND2-CD2 3.45Å; N144-Y147 WeakPolarHBondContact ND2-CE2 3.45Å; N144-Y147 WeakPolarHBondContact O-CB 3.31Å; N144-Y147 PolarHBondContact O-N 3.13Å; N144-Y147 WeakPolarHBondContact OD1-CD2 3.49Å; N144-Y147 PolarHBondContact OD1-N 2.84Å; P145-Y147 VanDerWaalsContact C-N 3.33Å; P145-Y147 PolarHBondContact O-N 2.93Å; Y147-V150 PolarHBondContact O-N 3.24Å; Y147-E151 WeakPolarHBondContact O-CB 3.39Å; Y147-E151 WeakPolarHBondContact O-CG 3.34Å; Y147-E151 PolarHBondContact O-N 3.37Å
148Y54.6Low51.6Low39 Ų3934.4 Ų34.415%0.15318%0.177CC..Hα-helixtrans-59.9-45.1175.5179.9-102.2000112.2I16 L140 W141 N144 P145 L146 E151 K152I16-Y148 HydrophobicContact CD1-CD1 4.44Å; L140-Y148 HydrophobicContact CB-CD2 4.45Å; W141-Y148 HydrophobicContact CB-CD1 3.89Å; W141-Y148 HydrophobicContact CB-CD2 4.07Å; W141-Y148 HydrophobicContact CB-CE1 4.37Å; W141-Y148 HydrophobicContact CB-CG 3.72Å; N144-Y148 PolarHBondContact O-N 3.03Å; P145-Y148 PolarHBondContact O-N 3.09Å; L146-Y148 VanDerWaalsContact C-N 3.3Å; L146-Y148 PolarHBondContact O-N 2.9Å; Y148-E151 PolarHBondContact O-N 2.91Å; Y148-K152 HydrophobicContact CD1-CG 4.19Å; Y148-K152 HydrophobicContact CD2-CG 4.43Å; Y148-K152 HydrophobicContact CE1-CG 3.76Å; Y148-K152 HydrophobicContact CE2-CD 4.39Å; Y148-K152 HydrophobicContact CE2-CG 4.03Å; Y148-K152 VanDerWaalsContact CZ-CE 3.5Å; Y148-K152 WeakPolarHBondContact O-CB 3.31Å; Y148-K152 WeakPolarHBondContact O-CG 3.15Å; Y148-K152 PolarHBondContact O-N 3.04Å; Y148-K152 WeakPolarHBondContact OH-CE 3.18Å
149M56Low52.5Low26 Ų2633.8 Ų33.813%0.12817%0.168CC..Hα-helixtrans-63.2-45.4179.5-75-172-65.800113I9 F12 P145 L146 E151 K152 F153I9-M149 HydrophobicContact CB-CE 4.02Å; I9-M149 HydrophobicContact CD1-CE 4.49Å; I9-M149 HydrophobicContact CG1-CE 3.77Å; I9-M149 HydrophobicContact CG2-CE 3.53Å; F12-M149 HydrophobicContact CB-SD 3.38Å; F12-M149 WeakPolarHBondContact CB-SD 3.08Å; F12-M149 HydrophobicContact CD1-CG 3.92Å; F12-M149 HydrophobicContact CD1-SD 3.6Å; F12-M149 VanDerWaalsContact CD1-SD 3.6Å; F12-M149 HydrophobicContact CE1-CG 4.43Å; F12-M149 HydrophobicContact CG-CG 4.43Å; F12-M149 HydrophobicContact CG-SD 3.57Å; F12-M149 VanDerWaalsContact CG-SD 3.57Å; P145-M149 VanDerWaalsContact O-CG 3.29Å; P145-M149 WeakPolarHBondContact O-CG 3.31Å; P145-M149 PolarHBondContact O-N 2.95Å; L146-M149 HydrophobicContact CB-CE 4.31Å; L146-M149 HydrophobicContact CD1-CE 4.01Å; L146-M149 PolarHBondContact O-N 3.07Å; M149-E151 VanDerWaalsContact C-N 3.3Å; M149-E151 PolarHBondContact O-N 2.78Å; M149-K152 PolarHBondContact O-N 3.26Å; M149-F153 WeakPolarHBondContact O-CB 3.28Å; M149-F153 PolarHBondContact O-N 2.9Å
150V58.8Low52.9Low0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-62.7-42.5178.4173.90000110Y37 V38 K41 M42 F63 L146 Y147 F153 V154Y37-V150 HydrophobicContact CE1-CB 4.22Å; Y37-V150 HydrophobicContact CE1-CG1 4.33Å; V38-V150 HydrophobicContact CB-CG2 4.32Å; V38-V150 HydrophobicContact CG1-CG2 4.29Å; V38-V150 HydrophobicContact CG2-CG2 3.65Å; K41-V150 HydrophobicContact CB-CG1 3.43Å; K41-V150 VanDerWaalsContact CB-CG1 3.43Å; K41-V150 HydrophobicContact CG-CG1 3.84Å; M42-V150 HydrophobicContact CE-CG1 4Å; F63-V150 HydrophobicContact CZ-CG2 4.42Å; L146-V150 HydrophobicContact CD1-CG2 4.03Å; L146-V150 HydrophobicContact CG-CG2 4.34Å; L146-V150 WeakPolarHBondContact O-CG2 3.44Å; L146-V150 PolarHBondContact O-N 2.78Å; Y147-V150 PolarHBondContact O-N 3.24Å; V150-F153 PolarHBondContact O-N 3.37Å; V150-V154 HydrophobicContact CG1-CG2 4.47Å; V150-V154 WeakPolarHBondContact O-CB 3.09Å; V150-V154 VanDerWaalsContact O-CG2 3.27Å; V150-V154 WeakPolarHBondContact O-CG2 3.34Å; V150-V154 PolarHBondContact O-N 2.85Å
151E60.1Low53.6Low13 Ų1337.4 Ų37.46%0.06119%0.185CC..Hα-helixtrans-62.3-45.6175.7-74.7-171.1169.900112.1Y37 K41 L140 Y147 Y148 M149 F153 V154 Q155Y37-E151 WeakPolarHBondContact OH-CG 3.25Å; Y37-E151 PolarHBondContact OH-OE1 2.8Å; K41-E151 IonicContact NZ-OE1 3.2Å; K41-E151 PolarHBondContact NZ-OE1 2.94Å; L140-E151 WeakPolarHBondContact CD1-OE2 3.33Å; Y147-E151 WeakPolarHBondContact O-CB 3.39Å; Y147-E151 WeakPolarHBondContact O-CG 3.34Å; Y147-E151 PolarHBondContact O-N 3.37Å; Y148-E151 PolarHBondContact O-N 2.91Å; M149-E151 VanDerWaalsContact C-N 3.3Å; M149-E151 PolarHBondContact O-N 2.78Å; E151-F153 VanDerWaalsContact C-N 3.34Å; E151-F153 PolarHBondContact O-N 3.16Å; E151-V154 PolarHBondContact O-N 3.5Å; E151-Q155 WeakPolarHBondContact O-CG 3.42Å; E151-Q155 PolarHBondContact O-N 3.25Å; E151-Q155 PolarHBondContact O-NE2 2.79Å; E151-Q155 VanDerWaalsContact O-NE2 3.09Å
152K58.7Low54.2Low30 Ų3037.7 Ų37.713%0.1319%0.188CC..Hα-helixtrans-63.3-39.9177-74.6-57.2-177.3-173.80112.8Y148 M149 Q155 I156Y148-K152 HydrophobicContact CD1-CG 4.19Å; Y148-K152 HydrophobicContact CD2-CG 4.43Å; Y148-K152 HydrophobicContact CE1-CG 3.76Å; Y148-K152 HydrophobicContact CE2-CD 4.39Å; Y148-K152 HydrophobicContact CE2-CG 4.03Å; Y148-K152 VanDerWaalsContact CZ-CE 3.5Å; Y148-K152 WeakPolarHBondContact O-CB 3.31Å; Y148-K152 WeakPolarHBondContact O-CG 3.15Å; Y148-K152 PolarHBondContact O-N 3.04Å; Y148-K152 WeakPolarHBondContact OH-CE 3.18Å; M149-K152 PolarHBondContact O-N 3.26Å; K152-Q155 VanDerWaalsContact CD-OE1 3.25Å; K152-Q155 WeakPolarHBondContact O-CB 3.01Å; K152-Q155 PolarHBondContact O-N 3.03Å; K152-I156 VanDerWaalsContact O-CG1 3.27Å; K152-I156 WeakPolarHBondContact O-CG1 3.48Å; K152-I156 PolarHBondContact O-N 3.34Å
153F60.6Low54.6Low8 Ų837 Ų374%0.03519%0.186CC..Hα-helixtrans-63.2-48.6175.2178.4-98.9000112.1M42 F63 L66 I67 M149 V150 E151 Q155 I156 M157M42-F153 HydrophobicContact CE-CD1 3.95Å; M42-F153 HydrophobicContact CE-CE1 4.34Å; M42-F153 HydrophobicContact SD-CE1 4.4Å; F63-F153 AromaticContact CD2-CD1 3.4Å; F63-F153 HydrophobicContact CD2-CD1 3.4Å; F63-F153 VanDerWaalsContact CD2-CD1 3.4Å; F63-F153 HydrophobicContact CD2-CD2 4.12Å; F63-F153 AromaticContact CD2-CE1 3.26Å; F63-F153 HydrophobicContact CD2-CE1 3.26Å; F63-F153 HydrophobicContact CD2-CE2 4.01Å; F63-F153 AromaticContact CD2-CG 3.81Å; F63-F153 HydrophobicContact CD2-CG 3.81Å; F63-F153 AromaticContact CD2-CZ 3.56Å; F63-F153 HydrophobicContact CD2-CZ 3.56Å; F63-F153 HydrophobicContact CE2-CB 3.72Å; F63-F153 AromaticContact CE2-CD1 3.26Å; F63-F153 HydrophobicContact CE2-CD1 3.26Å; F63-F153 AromaticContact CE2-CD2 3.7Å; F63-F153 HydrophobicContact CE2-CD2 3.7Å; F63-F153 AromaticContact CE2-CE1 3.66Å; F63-F153 HydrophobicContact CE2-CE1 3.66Å; F63-F153 HydrophobicContact CE2-CE2 4.06Å; F63-F153 AromaticContact CE2-CG 3.25Å; F63-F153 HydrophobicContact CE2-CG 3.25Å; F63-F153 HydrophobicContact CE2-CZ 4.01Å; F63-F153 HydrophobicContact CG-CE1 4.38Å; F63-F153 HydrophobicContact CZ-CB 4.37Å; F63-F153 HydrophobicContact CZ-CD1 4.4Å; F63-F153 HydrophobicContact CZ-CG 4.32Å; L66-F153 HydrophobicContact CD2-CE2 3.36Å; L66-F153 HydrophobicContact CD2-CZ 3.81Å; I67-F153 HydrophobicContact CD1-CD2 3.64Å; I67-F153 HydrophobicContact CD1-CE2 4.01Å; I67-F153 HydrophobicContact CD1-CG 4.37Å; M149-F153 WeakPolarHBondContact O-CB 3.28Å; M149-F153 PolarHBondContact O-N 2.9Å; V150-F153 PolarHBondContact O-N 3.37Å; E151-F153 VanDerWaalsContact C-N 3.34Å; E151-F153 PolarHBondContact O-N 3.16Å; F153-Q155 PolarHBondContact O-N 2.7Å; F153-I156 PolarHBondContact O-N 2.7Å; F153-I156 VanDerWaalsContact O-N 3.14Å; F153-M157 HydrophobicContact CD1-CG 3.88Å; F153-M157 HydrophobicContact CD2-CG 4.01Å; F153-M157 HydrophobicContact CE1-CB 4.33Å; F153-M157 HydrophobicContact CE1-CG 3.35Å; F153-M157 HydrophobicContact CE2-CG 3.48Å; F153-M157 VanDerWaalsContact CE2-CG 3.48Å; F153-M157 HydrophobicContact CE2-SD 3.75Å; F153-M157 HydrophobicContact CG-CG 4.2Å; F153-M157 HydrophobicContact CZ-CB 4.48Å; F153-M157 HydrophobicContact CZ-CG 3.15Å; F153-M157 HydrophobicContact CZ-SD 3.79Å; F153-M157 WeakPolarHBondContact O-CG 3.34Å; F153-M157 PolarHBondContact O-N 2.99Å
154V59.1Low54.5Low4 Ų440 Ų402%0.02420%0.198CC..Hα-helixtrans-58.1-36.9178.1167.60000110.8K41 M42 L45 F130 V150 E151 G158K41-V154 HydrophobicContact CB-CG2 4.33Å; M42-V154 HydrophobicContact CE-CG2 3.66Å; L45-V154 HydrophobicContact CB-CG1 4.04Å; L45-V154 HydrophobicContact CB-CG2 4.27Å; L45-V154 HydrophobicContact CD1-CG1 4.2Å; L45-V154 HydrophobicContact CD2-CG2 4.28Å; L45-V154 HydrophobicContact CG-CG1 4.5Å; F130-V154 HydrophobicContact CD1-CG1 3.52Å; F130-V154 HydrophobicContact CE1-CG1 3.54Å; F130-V154 HydrophobicContact CG-CG1 4.28Å; F130-V154 HydrophobicContact CZ-CG1 4.32Å; V150-V154 HydrophobicContact CG1-CG2 4.47Å; V150-V154 WeakPolarHBondContact O-CB 3.09Å; V150-V154 VanDerWaalsContact O-CG2 3.27Å; V150-V154 WeakPolarHBondContact O-CG2 3.34Å; V150-V154 PolarHBondContact O-N 2.85Å; E151-V154 PolarHBondContact O-N 3.5Å; V154-G158 PolarHBondContact O-N 3.26Å
155Q56.5Low53.6Low25 Ų2543.6 Ų43.612%0.11722%0.218CC..Hα-helixtrans-63-53.1172.9-69.1158.640.900112.3F131 E151 K152 F153 M157 G158 Y159F131-Q155 HydrophobicContact CE1-CG 3.85Å; F131-Q155 HydrophobicContact CE2-CG 3.64Å; F131-Q155 HydrophobicContact CZ-CB 4.36Å; F131-Q155 HydrophobicContact CZ-CG 3.24Å; F131-Q155 VanDerWaalsContact CZ-NE2 3.33Å; E151-Q155 WeakPolarHBondContact O-CG 3.42Å; E151-Q155 PolarHBondContact O-N 3.25Å; E151-Q155 PolarHBondContact O-NE2 2.79Å; E151-Q155 VanDerWaalsContact O-NE2 3.09Å; K152-Q155 VanDerWaalsContact CD-OE1 3.25Å; K152-Q155 WeakPolarHBondContact O-CB 3.01Å; K152-Q155 PolarHBondContact O-N 3.03Å; F153-Q155 PolarHBondContact O-N 2.7Å; Q155-M157 VanDerWaalsContact C-N 3.3Å; Q155-M157 PolarHBondContact O-N 3.45Å; Q155-G158 PolarHBondContact O-N 2.96Å; Q155-Y159 WeakPolarHBondContact O-CB 3.41Å; Q155-Y159 PolarHBondContact O-N 3.2Å
156I54.2Low52.7Low64 Ų6448.1 Ų48.133%0.32825%0.245SC..Hα-helixtrans-60.3-44.1-177.8-67.8166.1000109.9K152 F153 Y159 L160 L169K152-I156 VanDerWaalsContact O-CG1 3.27Å; K152-I156 WeakPolarHBondContact O-CG1 3.48Å; K152-I156 PolarHBondContact O-N 3.34Å; F153-I156 PolarHBondContact O-N 2.7Å; F153-I156 VanDerWaalsContact O-N 3.14Å; I156-Y159 PolarHBondContact O-N 3.5Å; I156-L160 HydrophobicContact CG2-CD1 3.61Å; I156-L160 HydrophobicContact CG2-CG 4.17Å; I156-L160 VanDerWaalsContact O-CB 3.28Å; I156-L160 WeakPolarHBondContact O-CB 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 3.45Å; I156-L169 HydrophobicContact CG1-CD1 4.29Å
157M55.9Low51.5Low17 Ų1753.2 Ų53.28%0.08427%0.272CS..Hα-helixtrans-72.1-39.7179.4-65.4-44.9-63.900113L45 F58 L66 F153 Q155 Y159 L160 L161L45-M157 HydrophobicContact CD2-CB 4.07Å; F58-M157 HydrophobicContact CE1-CE 3.69Å; F58-M157 HydrophobicContact CE2-CB 4.5Å; F58-M157 HydrophobicContact CE2-CE 4.39Å; F58-M157 HydrophobicContact CZ-CB 4.38Å; F58-M157 HydrophobicContact CZ-CE 3.34Å; F58-M157 HydrophobicContact CZ-CG 4.33Å; L66-M157 HydrophobicContact CD2-SD 4.44Å; F153-M157 HydrophobicContact CD1-CG 3.88Å; F153-M157 HydrophobicContact CD2-CG 4.01Å; F153-M157 HydrophobicContact CE1-CB 4.33Å; F153-M157 HydrophobicContact CE1-CG 3.35Å; F153-M157 HydrophobicContact CE2-CG 3.48Å; F153-M157 VanDerWaalsContact CE2-CG 3.48Å; F153-M157 HydrophobicContact CE2-SD 3.75Å; F153-M157 HydrophobicContact CG-CG 4.2Å; F153-M157 HydrophobicContact CZ-CB 4.48Å; F153-M157 HydrophobicContact CZ-CG 3.15Å; F153-M157 HydrophobicContact CZ-SD 3.79Å; F153-M157 WeakPolarHBondContact O-CG 3.34Å; F153-M157 PolarHBondContact O-N 2.99Å; Q155-M157 VanDerWaalsContact C-N 3.3Å; Q155-M157 PolarHBondContact O-N 3.45Å; M157-Y159 VanDerWaalsContact C-N 3.26Å; M157-Y159 PolarHBondContact O-N 3.31Å; M157-L160 HydrophobicContact SD-CD1 4.45Å; M157-L161 VanDerWaalsContact O-CB 3.28Å; M157-L161 WeakPolarHBondContact O-CB 3.13Å; M157-L161 WeakPolarHBondContact O-CD1 3.09Å; M157-L161 WeakPolarHBondContact O-CG 3.4Å; M157-L161 PolarHBondContact O-N 2.75Å
158G54.9Low50.2Low2 Ų256.8 Ų56.82%0.02129%0.29CS..Hα-helixtrans-58.1-44.9173.100000110.7I127 V154 Q155 E162I127-G158 VanDerWaalsContact CD1-C 3.41Å; V154-G158 PolarHBondContact O-N 3.26Å; Q155-G158 PolarHBondContact O-N 2.96Å; G158-E162 VanDerWaalsContact O-CB 3.29Å; G158-E162 WeakPolarHBondContact O-CB 3.01Å; G158-E162 PolarHBondContact O-N 3.21Å; G158-E162 VanDerWaalsContact O-N 3.13Å
159Y53.2Low49.1Very low54 Ų5460.5 Ų60.521%0.21231%0.312CS..Hα-helixtrans-68.4-53.1-178.8-172.2-93.9000112.4Q155 I156 M157 L161 E162 D163 D165 L167Q155-Y159 WeakPolarHBondContact O-CB 3.41Å; Q155-Y159 PolarHBondContact O-N 3.2Å; I156-Y159 PolarHBondContact O-N 3.5Å; M157-Y159 VanDerWaalsContact C-N 3.26Å; M157-Y159 PolarHBondContact O-N 3.31Å; Y159-L161 PolarHBondContact O-N 3.35Å; Y159-L161 VanDerWaalsContact O-N 3.08Å; Y159-E162 PolarHBondContact O-N 2.71Å; Y159-E162 VanDerWaalsContact O-N 3.13Å; Y159-D163 PolarHBondContact O-N 2.81Å; Y159-D165 PolarHBondContact OH-O 2.84Å; Y159-L167 PolarHBondContact OH-N 3.32Å; Y159-L167 PolarHBondContact OH-O 2.5Å
160L50.5Low47.7Very low83 Ų8364.5 Ų64.544%0.43533%0.334SS..Hα-helixtrans-60.1-20.9179.2-74.4174.5000114.1I156 M157 T166I156-L160 HydrophobicContact CG2-CD1 3.61Å; I156-L160 HydrophobicContact CG2-CG 4.17Å; I156-L160 VanDerWaalsContact O-CB 3.28Å; I156-L160 WeakPolarHBondContact O-CB 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 3.45Å; M157-L160 HydrophobicContact SD-CD1 4.45Å; L160-T166 HydrophobicContact CD2-CG2 4.48Å
161L57.1Low46.3Very low49 Ų4970 Ų7026%0.25736%0.362SS..Hα-helixtrans-100-16.9-179.8-67.2174.1000113.3L49 I54 K56 F58 M157 Y159L49-L161 HydrophobicContact CD1-CD1 3.8Å; L49-L161 HydrophobicContact CD2-CB 3.95Å; L49-L161 HydrophobicContact CD2-CD1 3.73Å; L49-L161 HydrophobicContact CG-CD1 4.44Å; I54-L161 HydrophobicContact CD1-CB 4.26Å; I54-L161 VanDerWaalsContact CD1-O 3.32Å; I54-L161 WeakPolarHBondContact CD1-O 3.2Å; K56-L161 HydrophobicContact CD-CD1 4.4Å; K56-L161 HydrophobicContact CD-CD2 4.15Å; F58-L161 HydrophobicContact CE2-CD1 3.63Å; F58-L161 HydrophobicContact CZ-CD1 3.86Å; M157-L161 VanDerWaalsContact O-CB 3.28Å; M157-L161 WeakPolarHBondContact O-CB 3.13Å; M157-L161 WeakPolarHBondContact O-CD1 3.09Å; M157-L161 WeakPolarHBondContact O-CG 3.4Å; M157-L161 PolarHBondContact O-N 2.75Å; Y159-L161 PolarHBondContact O-N 3.35Å; Y159-L161 VanDerWaalsContact O-N 3.08Å
162E55.7Low44.8Very low63 Ų6371.8 Ų71.829%0.29438%0.375SS..Hα-helixtrans-93.3-41.6178-171171.1-167.300111.7Y48 R52 I127 G158 Y159Y48-E162 PolarHBondContact OH-OE1 3.06Å; Y48-E162 VanDerWaalsContact OH-OE1 3.05Å; Y48-E162 PolarHBondContact OH-OE2 3.27Å; R52-E162 IonicContact CZ-OE1 2.96Å; R52-E162 IonicContact NE-OE1 3.32Å; R52-E162 PolarHBondContact NE-OE1 3Å; R52-E162 IonicContact NH1-OE1 3.62Å; R52-E162 IonicContact NH2-OE1 2.62Å; R52-E162 PolarHBondContact NH2-OE1 3.28Å; I127-E162 VanDerWaalsContact CD1-OE2 3.3Å; I127-E162 WeakPolarHBondContact CD1-OE2 3.46Å; G158-E162 VanDerWaalsContact O-CB 3.29Å; G158-E162 WeakPolarHBondContact O-CB 3.01Å; G158-E162 PolarHBondContact O-N 3.21Å; G158-E162 VanDerWaalsContact O-N 3.13Å; Y159-E162 PolarHBondContact O-N 2.71Å; Y159-E162 VanDerWaalsContact O-N 3.13Å
163D44.4Very low43.5Very low83 Ų8379 Ų7944%0.44441%0.407SS..  trans-122.4114.5178.5-78-36000109.5Y159 D165Y159-D163 PolarHBondContact O-N 2.81Å; D163-D165 HydrophobicContact CB-CB 4.47Å; D163-D165 PolarHBondContact O-N 3.43Å; D163-D165 VanDerWaalsContact O-N 3.1Å
164D41.2Very low41.9Very low164 Ų16488.8 Ų88.888%0.87745%0.445SS*.SBendtrans-59-12.7162.3-93.3-30.6000111.3T166D164-T166 PolarHBondContact O-N 2.98Å
165D32.8Very low40.5Very low107 Ų10792.1 Ų92.157%0.57246%0.458SS*.  trans-85.294.6174.9-82.3-31000111.2Y159 D163 L167Y159-D165 PolarHBondContact OH-O 2.84Å; D163-D165 HydrophobicContact CB-CB 4.47Å; D163-D165 PolarHBondContact O-N 3.43Å; D163-D165 VanDerWaalsContact O-N 3.1Å; D165-L167 PolarHBondContact O-N 3.08Å
166T32.3Very low39.1Very low113 Ų11399 Ų9969%0.69348%0.484SS*.  trans-55.117.3167.850.50000116.3L160 D164 E168L160-T166 HydrophobicContact CD2-CG2 4.48Å; D164-T166 PolarHBondContact O-N 2.98Å; T166-E168 PolarHBondContact O-N 3.11Å
167L27.7Very low37.8Very low120 Ų120101.6 Ų101.663%0.62850%0.499SS*.  trans-74.291.5-175.8-92.2158.6000111.4Y159 D165Y159-L167 PolarHBondContact OH-N 3.32Å; Y159-L167 PolarHBondContact OH-O 2.5Å; D165-L167 PolarHBondContact O-N 3.08Å
168E29.9Very low36.5Very low129 Ų129109.7 Ų109.760%0.60353%0.533SS*.  trans77.783.3158.1-53.2-175.8165.600113.7T166 N170T166-E168 PolarHBondContact O-N 3.11Å; E168-N170 HydrophobicContact CB-CB 4.33Å; E168-N170 PolarHBondContact O-N 3.09Å; E168-N170 PolarHBondContact OE2-ND2 3.44Å
169L30.5Very low35.2Very low117 Ų117113.9 Ų113.961%0.61356%0.562SS**  trans-58.552.5145-128.7142.9000110.4I156 L171I156-L169 HydrophobicContact CG1-CD1 4.29Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 2.54Å
170N27.1Very low34Very low110 Ų110122.2 Ų122.259%0.58861%0.608SS**  trans-66.899.5168.8-89-29.6000105.7E168E168-N170 HydrophobicContact CB-CB 4.33Å; E168-N170 PolarHBondContact O-N 3.09Å; E168-N170 PolarHBondContact OE2-ND2 3.44Å
171L29.1Very low33.2Very low114 Ų114124.2 Ų124.260%0.59762%0.617SS**  trans-36.5130.3167.1-75.4146000108.6L169 K173L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 2.54Å; L171-K173 PolarHBondContact O-N 2.97Å
172P28.7Very low31.9Very low51 Ų51128.1 Ų128.133%0.33164%0.636SS.*  trans-51.2118.2-176.4-23.929.9000109.6F131 Y174 Y175F131-P172 HydrophobicContact CE1-CG 4.24Å; P172-Y174 PolarHBondContact O-N 2.97Å; P172-Y175 PolarHBondContact O-N 2.99Å; P172-Y175 VanDerWaalsContact O-N 3.09Å
173K31.1Very low30.6Very low181 Ų181131.7 Ų131.779%0.78766%0.655SS**THydrogen-bonded Turntrans-50.5-21.2-176-81.3179.8175.4173.10113.8L171L171-K173 PolarHBondContact O-N 2.97Å
174Y27.4Very low29.8Very low214 Ų214134.6 Ų134.684%0.83967%0.667SS**THydrogen-bonded Turntrans-99.811.4-173.5-60.2-75.3000115.2P172 Y176P172-Y174 PolarHBondContact O-N 2.97Å; Y174-Y176 VanDerWaalsContact C-N 3.31Å
175Y29.6Very low29.1Very low75 Ų75132.8 Ų132.829%0.29465%0.654SS.*SBendtrans-79.8-14.2174.7-126.9-88.6000113.7P139 P172 D177P139-Y175 HydrophobicContact CB-CE1 4.01Å; P172-Y175 PolarHBondContact O-N 2.99Å; P172-Y175 VanDerWaalsContact O-N 3.09Å; Y175-D177 PolarHBondContact O-N 2.85Å
176Y28Very low28.9Very low168 Ų168134.5 Ų134.566%0.65966%0.659SS**  trans-84.995.1165.1-62.3-80.2000107.9Y174 K178Y174-Y176 VanDerWaalsContact C-N 3.31Å; Y176-K178 VanDerWaalsContact C-N 3.25Å; Y176-K178 PolarHBondContact O-N 3.35Å
177D27.1Very low28.6Very low120 Ų120136 Ų13664%0.64266%0.657SS**  trans-64100.1153.4-167.2-10.1000106.5Y175 S179Y175-D177 PolarHBondContact O-N 2.85Å; D177-S179 VanDerWaalsContact CG-OG 3.29Å; D177-S179 PolarHBondContact O-N 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.22Å; D177-S179 PolarHBondContact OD1-N 3.11Å; D177-S179 PolarHBondContact OD1-OG 2.85Å; D177-S179 PolarHBondContact OD2-OG 2.91Å
178K28.8Very low28.7Very low186 Ų186137.2 Ų137.281%0.80966%0.659SS**  trans-77.611.6175.8-69.4-170.5178.6-175.90112Y176 I180Y176-K178 VanDerWaalsContact C-N 3.25Å; Y176-K178 PolarHBondContact O-N 3.35Å; K178-I180 VanDerWaalsContact C-N 3.32Å; K178-I180 PolarHBondContact O-N 2.87Å
179S26.4Very low28.6Very low91 Ų91137.9 Ų137.964%0.63666%0.664SS**  trans-92.962.5171.360.50000112.3D177D177-S179 VanDerWaalsContact CG-OG 3.29Å; D177-S179 PolarHBondContact O-N 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.22Å; D177-S179 PolarHBondContact OD1-N 3.11Å; D177-S179 PolarHBondContact OD1-OG 2.85Å; D177-S179 PolarHBondContact OD2-OG 2.91Å
180I29.1Very low28.4Very low228 Ų228139.8 Ų139.8100%1.16967%0.668SS**  trans-1400149.6-50.2179.3000106.2K178K178-I180 VanDerWaalsContact C-N 3.32Å; K178-I180 PolarHBondContact O-N 2.87Å

Retrieved 180 of 180 residues in 126.5 ms (Link to these results)

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