A0A096N4F8_PAPAN Loading...

RIC3 acetylcholine receptor chaperone

AlphaFold DB (G7PQS9), UniProt , Accession A0A096N4F8, Species PAPAN (Papio anubis, Olive baboon), Gene RIC3, Length 370 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
1M46.1Very low63.8Low179 Ų17998.8 Ų98.888%0.88256%0.56SS**  0110.40-60.5175.2-172.200109.1Y3M1-Y3 HydrophobicContact CB-CE2 4.4Å; M1-Y3 PolarHBondContact O-N 3.42Å
2A49.3Very low64.4Low99 Ų9994.9 Ų94.982%0.81855%0.549SS*.  trans-97.184179.600000110.3S4A2-S4 PolarHBondContact O-N 2.77Å
3Y61.6Low65.2Low85 Ų8592.5 Ų92.533%0.33354%0.541SS..  trans-55.7130.4169.3-60.4-78.6000109.6M1 R8M1-Y3 HydrophobicContact CB-CE2 4.4Å; M1-Y3 PolarHBondContact O-N 3.42Å; Y3-R8 PolarHBondContact O-NE 2.97Å; Y3-R8 PolarHBondContact O-NH2 2.87Å
4S69.7Low66Low67 Ų6786.8 Ų86.847%0.46951%0.512SS..  trans-53.5143.6175.9172.90000110.4A2 V6 Q7 R8A2-S4 PolarHBondContact O-N 2.77Å; S4-V6 PolarHBondContact O-N 3.4Å; S4-Q7 WeakPolarHBondContact O-CB 3.29Å; S4-Q7 PolarHBondContact O-N 3.45Å; S4-R8 WeakPolarHBondContact O-CG 3.49Å; S4-R8 PolarHBondContact O-N 3.45Å
5T64.9Low66.5Low107 Ų10788.1 Ų88.166%0.65652%0.515SS*.Hα-helixtrans-53.8-39.7178.948.20000111.5R8 V9T5-R8 PolarHBondContact O-N 3.1Å; T5-V9 VanDerWaalsContact O-CG2 3.32Å; T5-V9 WeakPolarHBondContact O-CG2 2.9Å; T5-V9 PolarHBondContact O-N 3.33Å
6V58.6Low66.9Low107 Ų10788 Ų8865%0.64852%0.516SS*.Hα-helixtrans-63.1-43.4176.2-175.50000111.6S4 R8 V9 A10S4-V6 PolarHBondContact O-N 3.4Å; V6-R8 PolarHBondContact O-N 3.35Å; V6-V9 PolarHBondContact O-N 2.87Å; V6-A10 WeakPolarHBondContact O-CB 3.23Å; V6-A10 PolarHBondContact O-N 3.02Å
7Q65.6Low66.9Low64 Ų6488.6 Ų88.630%0.29952%0.515SS..Hα-helixtrans-66.2-38.4177.6-171.2-177.211.100111.6S4 A10 L11 S119S4-Q7 WeakPolarHBondContact O-CB 3.29Å; S4-Q7 PolarHBondContact O-N 3.45Å; Q7-A10 PolarHBondContact O-N 2.77Å; Q7-L11 HydrophobicContact CG-CD1 4.27Å; Q7-L11 WeakPolarHBondContact O-CB 3.45Å; Q7-L11 VanDerWaalsContact O-CG 3.3Å; Q7-L11 WeakPolarHBondContact O-CG 3.22Å; Q7-L11 PolarHBondContact O-N 3.49Å; Q7-S119 PolarHBondContact NE2-OG 3.49Å
8R68.8Low66.8Low137 Ų13784.6 Ų84.652%0.51750%0.495SS..Hα-helixtrans-64-41.9173.5-63.9-179.8-168.1-140.1-0.4111.6Y3 S4 T5 V6 A12Y3-R8 PolarHBondContact O-NE 2.97Å; Y3-R8 PolarHBondContact O-NH2 2.87Å; S4-R8 WeakPolarHBondContact O-CG 3.49Å; S4-R8 PolarHBondContact O-N 3.45Å; T5-R8 PolarHBondContact O-N 3.1Å; V6-R8 PolarHBondContact O-N 3.35Å; R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.38Å
9V71.8Confident66.7Low99 Ų9984.7 Ų84.760%0.649%0.492SS*.Hα-helixtrans-66.3-41.2176.51700000111.2T5 V6 A12 S13T5-V9 VanDerWaalsContact O-CG2 3.32Å; T5-V9 WeakPolarHBondContact O-CG2 2.9Å; T5-V9 PolarHBondContact O-N 3.33Å; V6-V9 PolarHBondContact O-N 2.87Å; V9-A12 PolarHBondContact O-N 3.32Å; V9-S13 WeakPolarHBondContact O-CB 3.27Å; V9-S13 PolarHBondContact O-N 3.5Å
10A73.6Confident66.6Low63 Ų6383.6 Ų83.652%0.52149%0.49SS..Hα-helixtrans-63.8-45.1175.700000112.1V6 Q7 S13 G14V6-A10 WeakPolarHBondContact O-CB 3.23Å; V6-A10 PolarHBondContact O-N 3.02Å; Q7-A10 PolarHBondContact O-N 2.77Å; A10-S13 PolarHBondContact O-N 3.22Å; A10-G14 PolarHBondContact O-N 2.77Å
11L71.7Confident66.4Low80 Ų8086.5 Ų86.542%0.41950%0.502SS..Hα-helixtrans-66.1-41.4175.9-70.9171.7000112.2Q7 L15 L112Q7-L11 HydrophobicContact CG-CD1 4.27Å; Q7-L11 WeakPolarHBondContact O-CB 3.45Å; Q7-L11 VanDerWaalsContact O-CG 3.3Å; Q7-L11 WeakPolarHBondContact O-CG 3.22Å; Q7-L11 PolarHBondContact O-N 3.49Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 PolarHBondContact O-N 2.84Å; L11-L112 HydrophobicContact CD2-CD2 4.15Å
12A71.9Confident67.1Low52 Ų5282.9 Ų82.943%0.4349%0.486SS..Hα-helixtrans-66-42.4175.700000111.7R8 V9 L15 V16R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.38Å; V9-A12 PolarHBondContact O-N 3.32Å; A12-L15 PolarHBondContact O-N 2.88Å; A12-V16 VanDerWaalsContact O-CB 3.31Å; A12-V16 WeakPolarHBondContact O-CB 3.27Å; A12-V16 WeakPolarHBondContact O-CG2 3.35Å; A12-V16 PolarHBondContact O-N 3.4Å
13S74.6Confident67.4Low63 Ų6381.9 Ų81.944%0.44147%0.466SS..Hα-helixtrans-63.9-45.4175.6-179.80000111.4V9 A10 V16 L17V9-S13 WeakPolarHBondContact O-CB 3.27Å; V9-S13 PolarHBondContact O-N 3.5Å; A10-S13 PolarHBondContact O-N 3.22Å; S13-V16 PolarHBondContact O-N 3.49Å; S13-L17 WeakPolarHBondContact O-CB 3.44Å; S13-L17 VanDerWaalsContact O-CG 3.28Å; S13-L17 WeakPolarHBondContact O-CG 3.49Å; S13-L17 PolarHBondContact O-N 3.36Å
14G76.6Confident67.1Low13 Ų1381.4 Ų81.413%0.13447%0.474CS..Hα-helixtrans-60.9-45.2174.500000112.6A10 L17 A18 F108A10-G14 PolarHBondContact O-N 2.77Å; G14-L17 PolarHBondContact O-N 3.28Å; G14-A18 WeakPolarHBondContact O-CB 3.41Å; G14-A18 PolarHBondContact O-N 2.87Å; G14-F108 WeakPolarHBondContact O-CZ 3.48Å
15L73.1Confident66.2Low107 Ų10785.2 Ų85.256%0.5648%0.482SS*.Hα-helixtrans-63.6-42.4176.3-172.371.9000111.8L11 A12 A18 L19L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 PolarHBondContact O-N 2.84Å; A12-L15 PolarHBondContact O-N 2.88Å; L15-A18 PolarHBondContact O-N 3.46Å; L15-L19 HydrophobicContact CG-CD1 4.3Å; L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.2Å
16V72.2Confident65.5Low86 Ų8683 Ų8352%0.52148%0.475SS..Hα-helixtrans-64.1-43.4175.5167.20000110.8A12 S13 L19 S20A12-V16 VanDerWaalsContact O-CB 3.31Å; A12-V16 WeakPolarHBondContact O-CB 3.27Å; A12-V16 WeakPolarHBondContact O-CG2 3.35Å; A12-V16 PolarHBondContact O-N 3.4Å; S13-V16 PolarHBondContact O-N 3.49Å; V16-L19 PolarHBondContact O-N 2.9Å; V16-S20 VanDerWaalsContact O-CB 3.26Å; V16-S20 WeakPolarHBondContact O-CB 3.27Å; V16-S20 PolarHBondContact O-N 3.35Å; V16-S20 PolarHBondContact O-OG 2.98Å; V16-S20 VanDerWaalsContact O-OG 3.08Å
17L66.7Low65Low98 Ų9885 Ų8551%0.51348%0.475SS..Hα-helixtrans-63-43.7175.4-73.7169.9000111.8S13 G14 L19 S20 L21S13-L17 WeakPolarHBondContact O-CB 3.44Å; S13-L17 VanDerWaalsContact O-CG 3.28Å; S13-L17 WeakPolarHBondContact O-CG 3.49Å; S13-L17 PolarHBondContact O-N 3.36Å; G14-L17 PolarHBondContact O-N 3.28Å; L17-L19 PolarHBondContact O-N 2.98Å; L17-S20 CarbonylContact O-C 3.58Å; L17-S20 PolarHBondContact O-N 3.38Å; L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 2.91Å
18A65.2Low64Low17 Ų1789.5 Ų89.514%0.1450%0.5CS..Hα-helixtrans-60.8-44.6176.200000112G14 L15 L21 L22 F108G14-A18 WeakPolarHBondContact O-CB 3.41Å; G14-A18 PolarHBondContact O-N 2.87Å; L15-A18 PolarHBondContact O-N 3.46Å; A18-L21 PolarHBondContact O-N 2.94Å; A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 PolarHBondContact O-N 3.04Å; A18-L22 VanDerWaalsContact O-N 3.12Å; A18-F108 HydrophobicContact CB-CD1 4.17Å; A18-F108 HydrophobicContact CB-CE1 3.54Å; A18-F108 HydrophobicContact CB-CZ 4.04Å
19L66.2Low62.7Low87 Ų8788.5 Ų88.546%0.45551%0.514SS..Hα-helixtrans-64.8-45.4173.4-68.4171.8000110.9L15 V16 L17 L21 L22 L23L15-L19 HydrophobicContact CG-CD1 4.3Å; L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.2Å; V16-L19 PolarHBondContact O-N 2.9Å; L17-L19 PolarHBondContact O-N 2.98Å; L19-L21 PolarHBondContact O-N 3.29Å; L19-L22 PolarHBondContact O-N 3.39Å; L19-L23 HydrophobicContact CB-CD1 4.34Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.23Å; L19-L23 WeakPolarHBondContact O-CD1 3.44Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 2.8Å
20S64.6Low61.5Low62 Ų6294.7 Ų94.743%0.43453%0.527SS..Hα-helixtrans-64.3-20.2177.8-70.90000114.7V16 L17 P24V16-S20 VanDerWaalsContact O-CB 3.26Å; V16-S20 WeakPolarHBondContact O-CB 3.27Å; V16-S20 PolarHBondContact O-N 3.35Å; V16-S20 PolarHBondContact O-OG 2.98Å; V16-S20 VanDerWaalsContact O-OG 3.08Å; L17-S20 CarbonylContact O-C 3.58Å; L17-S20 PolarHBondContact O-N 3.38Å; S20-P24 WeakPolarHBondContact O-CD 3.33Å; S20-P24 WeakPolarHBondContact O-CG 3.42Å
21L61.3Low59.9Low144 Ų14495.1 Ų95.175%0.75454%0.537SS*.Hα-helixtrans-88.4-24.6170.8-68.6171.8000112.8L17 A18 L19L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 2.91Å; A18-L21 PolarHBondContact O-N 2.94Å; L19-L21 PolarHBondContact O-N 3.29Å
22L60.8Low58.4Low104 Ų104100.8 Ų100.855%0.54556%0.558SS.*Hα-helixtrans-84-37175.6-165.169.6000112.7A18 L19 P24 K25 A26A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 PolarHBondContact O-N 3.04Å; A18-L22 VanDerWaalsContact O-N 3.12Å; L19-L22 PolarHBondContact O-N 3.39Å; L22-P24 VanDerWaalsContact C-CD 3.46Å; L22-K25 PolarHBondContact O-N 3.15Å; L22-K25 VanDerWaalsContact O-N 3.1Å; L22-A26 PolarHBondContact O-N 2.92Å
23L57Low56.7Low77 Ų77110.2 Ų110.240%0.40358%0.583SS.*Hα-helixtrans-56.6-38.6-177.9-76.9165.9000114.8L19 K25 A26 F27L19-L23 HydrophobicContact CB-CD1 4.34Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.23Å; L19-L23 WeakPolarHBondContact O-CD1 3.44Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 2.8Å; L23-K25 PolarHBondContact O-N 3.44Å; L23-A26 PolarHBondContact O-N 3.33Å; L23-A26 VanDerWaalsContact O-N 3.12Å; L23-F27 HydrophobicContact CD2-CD2 3.47Å; L23-F27 VanDerWaalsContact CD2-CD2 3.47Å; L23-F27 HydrophobicContact CD2-CE2 3.25Å; L23-F27 HydrophobicContact CD2-CZ 4.27Å; L23-F27 PolarHBondContact O-N 3.45Å; L23-F27 VanDerWaalsContact O-N 3.07Å
24P54.5Low54.9Low76 Ų76115.3 Ų115.349%0.49460%0.599SS.*Hα-helixtrans-57.9-31175.1-26.435.3000113.4S20 L22S20-P24 WeakPolarHBondContact O-CD 3.33Å; S20-P24 WeakPolarHBondContact O-CG 3.42Å; L22-P24 VanDerWaalsContact C-CD 3.46Å
25K51.2Low53Low147 Ų147123.2 Ų123.264%0.63963%0.633SS**Hα-helixtrans-83.2-24.1177.5-107.9-171.7168.470.80113.8L22 L23L22-K25 PolarHBondContact O-N 3.15Å; L22-K25 VanDerWaalsContact O-N 3.1Å; L23-K25 PolarHBondContact O-N 3.44Å
26A50.5Low51.3Low61 Ų61123.2 Ų123.250%0.50464%0.639SS.*Hα-helixtrans-91.9-33-176.700000114L22 L23L22-A26 PolarHBondContact O-N 2.92Å; L23-A26 PolarHBondContact O-N 3.33Å; L23-A26 VanDerWaalsContact O-N 3.12Å
27F46.8Very low50.1Low148 Ų148124.7 Ų124.765%0.64965%0.65SS**Hα-helixtrans-96-13.2-169.8-80.5-94.8000115.7L23 S29L23-F27 HydrophobicContact CD2-CD2 3.47Å; L23-F27 VanDerWaalsContact CD2-CD2 3.47Å; L23-F27 HydrophobicContact CD2-CE2 3.25Å; L23-F27 HydrophobicContact CD2-CZ 4.27Å; L23-F27 PolarHBondContact O-N 3.45Å; L23-F27 VanDerWaalsContact O-N 3.07Å; F27-S29 PolarHBondContact O-N 3.3Å
28L44.6Very low49.5Very low159 Ų159125.3 Ų125.383%0.83266%0.66SS**THydrogen-bonded Turntrans-71.9-12.1172.8-77171.8000114
29S41.7Very low48.1Very low115 Ų115130.7 Ų130.780%0.80469%0.692SS**THydrogen-bonded Turntrans-86.3-4.9-179.8-162.40000114.3F27F27-S29 PolarHBondContact O-N 3.3Å
30R47.3Very low47.3Very low230 Ų230131.6 Ų131.687%0.86870%0.703SS**  trans-124.555.2-170.4-161.5173.7173.5147.3-0.7113.7
31G40.4Very low45.9Very low71 Ų71137.6 Ų137.673%0.73272%0.724SS**SBendtrans-119.3100.7174.400000113.1
32K40.1Very low44.6Very low199 Ų199134.5 Ų134.587%0.86573%0.727SS**  trans25.1103.8166.9-75.1-175.4170.9-175.70117.7
33R35.6Very low43.4Very low251 Ų251138.9 Ų138.995%0.94774%0.741SS**PPolyproline II helixtrans-80.9122.4142.1-129.6-171.6-169.3-117.73107.5
34Q36.9Very low42.6Very low170 Ų170143.5 Ų143.579%0.79477%0.766SS**PPolyproline II helixtrans-92.7130.8170-170.21650.500108.4
35E36.9Very low41.7Very low178 Ų178143.9 Ų143.983%0.83278%0.783SS**PPolyproline II helixtrans-83.4139.4-178-175.9179.6131.900111.4
36P38Very low41Very low107 Ų107147.4 Ų147.470%0.69579%0.792SS**  trans-114156.3150.70.621.4000112.3
37P47Very low40.3Very low117 Ų117153.3 Ų153.376%0.7681%0.807SS**  trans-78.1170.9-166.632-37.5000115.7
38P53Low41.2Very low111 Ų111151.4 Ų151.472%0.72181%0.81SS**  trans-104-177.8-156.539.6-36.6000117.2
39T35.3Very low41.4Very low131 Ų131149.5 Ų149.580%0.80481%0.807SS**  trans96.9154.3164.972.10000117.9
40P49.1Very low41.5Very low105 Ų105151.7 Ų151.768%0.68281%0.806SS**  cis-131.6159.7-24.821.90.7000115.9
41E36.5Very low41.2Very low189 Ų189148.3 Ų148.388%0.88380%0.802SS**  trans41.6122.4140.7-54.4-58.1134.400122
42G33.1Very low41.1Very low79 Ų79154.4 Ų154.481%0.81481%0.811SS**  trans-18062.1171.900000120.6
43K35.6Very low40.7Very low195 Ų195152.4 Ų152.485%0.84880%0.804SS**  trans7.5139.9158.5-69.2177.8177176.40122.9
44L39.8Very low40.7Very low175 Ų175147.8 Ų147.892%0.91679%0.794SS**  trans37.8131.1142.3-83.885.6000121.1
45G36.6Very low40.4Very low83 Ų83148.5 Ų148.586%0.85680%0.797SS**  trans175.7129153.200000114.4
46R36Very low40.4Very low221 Ų221146 Ų14683%0.83479%0.793SS**  trans-123.9117.1-175.3178.9-178.1-171.1-172.24.7110.9
47F35.4Very low40.5Very low186 Ų186146.8 Ų146.882%0.81680%0.798SS**  trans75.1161.7160.1-71.7-45.3000120.5
48P67.4Low40Very low108 Ų108147.7 Ų147.770%0.70180%0.802SS**  trans-111.5-177.9-143.844.8-37.6000115.1
49P48.5Very low39Very low118 Ų118146.2 Ų146.277%0.76681%0.807SS**  -137.9-160.599.338.5-22.1000111.5
50M43.7Very low38.8Very low161 Ų161143.3 Ų143.379%0.79380%0.803SS**  cis-156.5169.69.2-166.647.8172.200111.7
51M41.3Very low37.9Very low159 Ų159148.1 Ų148.178%0.78382%0.816SS**  trans-70.5152.4170.4-61151.677.500113.2
52H37.5Very low37.7Very low199 Ų199145.4 Ų145.492%0.92181%0.813SS**  trans-132.4143.2156.9-92.739.4000110.3
53H32.1Very low38.3Very low157 Ų157147.8 Ų147.873%0.72781%0.814SS**  trans-122.4160.5-170.2-173.657.2000111
54H35.2Very low38.1Very low155 Ų155142.1 Ų142.172%0.71881%0.811SS**  trans64.4120.7177.3-63.1-54.3000119.2
55Q30.3Very low37.9Very low185 Ų185137.9 Ų137.986%0.86480%0.801SS**  -162148.299.5-111-178.73.700113.1
56V37.4Very low37.9Very low125 Ų125143.2 Ų143.276%0.75880%0.803SS**  trans-123.2139.5167.4167.20000107
57P40.4Very low37.9Very low123 Ų123142.1 Ų142.180%0.79981%0.805SS**  trans-133.3155.5137.210.312.2000113.8
58T36.3Very low38.2Very low137 Ų137142.6 Ų142.684%0.8481%0.81SS**  trans-102.9132.7-167.3-53.90000114.1
59G32.7Very low36.9Very low79 Ų79148.3 Ų148.381%0.81482%0.817SS**  trans91.6131.8137.700000121
60G30.8Very low36.6Very low71 Ų71147.4 Ų147.473%0.73281%0.814SS**  trans148.295.9151.800000120.1
61Q28.9Very low36.6Very low205 Ų205147.9 Ų147.996%0.95881%0.814SS**  trans63.1144.4143.3-63.8177.888.500123.2
62T33.8Very low36.8Very low133 Ų133149 Ų14982%0.81682%0.822SS**  trans-94.9-173.1-179.747.90000113.5
63P45.2Very low37Very low128 Ų128143 Ų14383%0.83181%0.807SS**  cis-126.3173.9-43.834.4-18000112.5
64G30.4Very low37.2Very low76 Ų76143.7 Ų143.778%0.78481%0.811SS**  trans-163.8130.4172.400000115.1
65A36.3Very low38.1Very low86 Ų86140.9 Ų140.971%0.71181%0.814SS**  trans-103.4134-175.500000112.9
66H37.4Very low38.9Very low195 Ų195142.3 Ų142.390%0.90382%0.818SS**  trans-139.7122.8165.7-78.5-68.6000112.4
67F36.1Very low39.4Very low199 Ų199139.6 Ų139.687%0.87381%0.809SS**  trans-89.2136.2169.7-83-98.4000111.3
68Q41Very low39.6Very low196 Ų196143.8 Ų143.892%0.91681%0.814SS**  trans-139.3107.4147.4-68.7-173.4-6.800104.7
69R39.4Very low40.2Very low228 Ų228142 Ų14286%0.8681%0.813SS**  64128.950.8-162.6163-173.5920.5113.8
70S42.1Very low40.9Very low99 Ų99148.5 Ų148.569%0.69282%0.82SS**  trans86.4132.9-178.591.30000113.6
71H43.4Very low41.2Very low170 Ų170148.5 Ų148.579%0.78782%0.82SS**  cis-133.4134.12.2-95.6-89.8000112.6A73H71-A73 PolarHBondContact O-N 2.9Å
72L45.6Very low42.1Very low182 Ų182145.2 Ų145.295%0.95382%0.819SS**  trans-93.758.3170-160.1-175000109.5
73A42.4Very low42.4Very low75 Ų75143 Ų14362%0.6282%0.822SS**  trans-161.265.9-171.800000115.8H71H71-A73 PolarHBondContact O-N 2.9Å
74E37.1Very low42Very low170 Ų170140.8 Ų140.879%0.79482%0.823SS**  trans-153.131.7143.9-138.6-179.4148.500114.9F76E74-F76 VanDerWaalsContact C-N 3.26Å; E74-F76 PolarHBondContact O-N 3.48Å
75A52.5Low42.4Very low96 Ų96141 Ų14179%0.79383%0.825SS**  trans-76.281.7160.900000109
76F48.2Very low43Very low215 Ų215142.3 Ų142.394%0.94384%0.836SS**  trans171.865149.9-97.2-65.5000112.3E74E74-F76 VanDerWaalsContact C-N 3.26Å; E74-F76 PolarHBondContact O-N 3.48Å
77A46.7Very low43.6Very low69 Ų69136.8 Ų136.857%0.5783%0.832SS**SBendtrans-132.786.8168.500000112.6
78K45.1Very low43.6Very low210 Ų210131.6 Ų131.691%0.91383%0.834SS**  trans64.1123.2155.4-63175178.31740118.5
79A50.1Low43.8Very low99 Ų99126.4 Ų126.482%0.81883%0.834SS**  trans-62.1161.7167.200000113.2
80K47.5Very low43.8Very low217 Ų217118.9 Ų118.994%0.94383%0.827SS**  trans86.898.4168.1-164.7175.2-176.7172.90116.4
81G35.3Very low44.1Very low71 Ų71120.2 Ų120.273%0.73284%0.836SS**  trans158.7109.9158.800000115.2
82S48.2Very low44.2Very low136 Ų136115.4 Ų115.495%0.95183%0.832SS**  trans13.9108.8138.7174.50000117.4
83G39.7Very low44.8Very low85 Ų85118.5 Ų118.588%0.87683%0.832SS**  trans-178.352.5177.300000118
84G38.2Very low45Very low82 Ų82117.4 Ų117.485%0.84583%0.827SS**  trans-142125.5157.100000107.8
85G38.5Very low46Very low81 Ų81116 Ų11684%0.83582%0.824SS**  cis151.5939.400000105.6
86A49.6Very low45.7Very low114 Ų114118.5 Ų118.594%0.94282%0.822SS**  trans-87.4128-17100000111.3
87G48.5Very low46.1Very low79 Ų79111.1 Ų111.181%0.81481%0.806SS**  trans140.5123.716600000113.8
88G37.2Very low46.5Very low89 Ų89113 Ų11392%0.91880%0.803SS**  trans98.4102.4-177.200000111
89G45.6Very low47.1Very low88 Ų88105.9 Ų105.991%0.90777%0.774SS**  cis13153.426.400000108.2
90G38.7Very low47.7Very low70 Ų70107 Ų10772%0.72277%0.765SS**  trans-135.1117-176.500000109.9G92G90-G92 PolarHBondContact O-N 3.15Å
91S47.8Very low48.7Very low127 Ų12799.9 Ų99.989%0.88874%0.741SS**  trans-75.157.3178.9-178.90000111.8
92G46.1Very low50.5Low68 Ų68101.3 Ų101.370%0.70173%0.731SS**  trans-105.381.3178.800000111.3G90 G94G90-G92 PolarHBondContact O-N 3.15Å; G92-G94 PolarHBondContact O-N 2.84Å
93R57.4Low51.7Low248 Ų248102 Ų10294%0.93671%0.713SS**  trans-68.972.1175.6-72.2177.9163.3-142.7-0.9111.5
94G47.7Very low53.5Low51 Ų5199.8 Ų99.853%0.52669%0.691SS.*  trans-93.297.8-179.800000113G92 M96 G97G92-G94 PolarHBondContact O-N 2.84Å; G94-M96 PolarHBondContact O-N 3.48Å; G94-G97 PolarHBondContact O-N 2.88Å
95L57.4Low55.4Low141 Ų141100.6 Ų100.674%0.73867%0.671SS**THydrogen-bonded Turntrans-50.7-29165-69.7167.5000111.7G97 Q98 I99L95-G97 VanDerWaalsContact C-N 3.28Å; L95-G97 PolarHBondContact O-N 3.45Å; L95-Q98 PolarHBondContact O-N 3.37Å; L95-I99 PolarHBondContact O-N 2.89Å
96M47.2Very low57.6Low149 Ų14998.6 Ų98.673%0.73465%0.65SS**Hα-helixtrans-45.8-40.9174.6-147.764.5157.400114.8G94 Q98 I100G94-M96 PolarHBondContact O-N 3.48Å; M96-Q98 VanDerWaalsContact C-N 3.31Å; M96-Q98 PolarHBondContact O-N 2.77Å; M96-I100 WeakPolarHBondContact O-CD1 3.47Å; M96-I100 WeakPolarHBondContact O-CG1 3.25Å
97G55.5Low59.2Low59 Ų5998 Ų9861%0.60863%0.63SS**Hα-helixtrans-77-14.9-179.200000114.5G94 L95G94-G97 PolarHBondContact O-N 2.88Å; L95-G97 VanDerWaalsContact C-N 3.28Å; L95-G97 PolarHBondContact O-N 3.45Å
98Q55.8Low60.7Low110 Ų11097 Ų9751%0.51460%0.604SS.*Hα-helixtrans-109.9-18-178.8-170166.6-5.700112.6L95 M96 P101 I102L95-Q98 PolarHBondContact O-N 3.37Å; M96-Q98 VanDerWaalsContact C-N 3.31Å; M96-Q98 PolarHBondContact O-N 2.77Å; Q98-P101 WeakPolarHBondContact O-CD 3.31Å; Q98-P101 WeakPolarHBondContact O-CG 3.44Å; Q98-I102 WeakPolarHBondContact O-CD1 3.45Å; Q98-I102 WeakPolarHBondContact O-CG1 3.32Å
99I57.7Low62.8Low60 Ų6096.9 Ų96.931%0.30858%0.581SS.*Hα-helixtrans-68.1-37.3174.2-126.974.7000111.7L95 I102 Y103L95-I99 PolarHBondContact O-N 2.89Å; I99-I102 WeakPolarHBondContact O-CB 3.46Å; I99-I102 PolarHBondContact O-N 2.9Å; I99-Y103 HydrophobicContact CB-CD2 4.35Å; I99-Y103 HydrophobicContact CB-CE2 4.07Å; I99-Y103 HydrophobicContact CG1-CD2 4.15Å; I99-Y103 HydrophobicContact CG1-CE2 3.47Å; I99-Y103 VanDerWaalsContact CG1-CE2 3.47Å; I99-Y103 HydrophobicContact CG2-CD2 3.92Å; I99-Y103 HydrophobicContact CG2-CE2 3.74Å; I99-Y103 VanDerWaalsContact O-CD2 3.24Å; I99-Y103 WeakPolarHBondContact O-CD2 3.32Å; I99-Y103 PolarHBondContact O-N 2.7Å
100I61.3Low64.6Low121 Ų12199.7 Ų99.762%0.62157%0.566SS**Hα-helixtrans-53.4-53.6-179.3-64.2163.5000113M96 I102 Y103 G104M96-I100 WeakPolarHBondContact O-CD1 3.47Å; M96-I100 WeakPolarHBondContact O-CG1 3.25Å; I100-I102 VanDerWaalsContact C-N 3.28Å; I100-I102 PolarHBondContact O-N 2.8Å; I100-Y103 PolarHBondContact O-N 3.16Å; I100-G104 PolarHBondContact O-N 3.46Å
101P68.8Low66.8Low68 Ų68100.3 Ų100.344%0.44255%0.552SS.*Hα-helixtrans-68.7-22177.325.9-35.3000114.1Q98 F105Q98-P101 WeakPolarHBondContact O-CD 3.31Å; Q98-P101 WeakPolarHBondContact O-CG 3.44Å; P101-F105 WeakPolarHBondContact O-CB 3.2Å; P101-F105 PolarHBondContact O-N 2.9Å
102I73.2Confident68.3Low101 Ų10196.6 Ų96.652%0.51852%0.522SS..Hα-helixtrans-73.1-47.3177-63.8168.2000109.8Q98 I99 I100 F105 G106Q98-I102 WeakPolarHBondContact O-CD1 3.45Å; Q98-I102 WeakPolarHBondContact O-CG1 3.32Å; I99-I102 WeakPolarHBondContact O-CB 3.46Å; I99-I102 PolarHBondContact O-N 2.9Å; I100-I102 VanDerWaalsContact C-N 3.28Å; I100-I102 PolarHBondContact O-N 2.8Å; I102-F105 PolarHBondContact O-N 3Å; I102-G106 PolarHBondContact O-N 3.27Å
103Y73.4Confident70.1Confident150 Ų15099.3 Ų99.359%0.58851%0.512SS*.Hα-helixtrans-65.2-40.4173.5-68.5-65.4000112.2I99 I100 F105 G106 I107I99-Y103 HydrophobicContact CB-CD2 4.35Å; I99-Y103 HydrophobicContact CB-CE2 4.07Å; I99-Y103 HydrophobicContact CG1-CD2 4.15Å; I99-Y103 HydrophobicContact CG1-CE2 3.47Å; I99-Y103 VanDerWaalsContact CG1-CE2 3.47Å; I99-Y103 HydrophobicContact CG2-CD2 3.92Å; I99-Y103 HydrophobicContact CG2-CE2 3.74Å; I99-Y103 VanDerWaalsContact O-CD2 3.24Å; I99-Y103 WeakPolarHBondContact O-CD2 3.32Å; I99-Y103 PolarHBondContact O-N 2.7Å; I100-Y103 PolarHBondContact O-N 3.16Å; Y103-F105 VanDerWaalsContact C-N 3.29Å; Y103-F105 PolarHBondContact O-N 2.87Å; Y103-G106 PolarHBondContact O-N 2.9Å; Y103-G106 VanDerWaalsContact O-N 3.15Å; Y103-I107 WeakPolarHBondContact O-CD1 3.27Å; Y103-I107 VanDerWaalsContact O-CG1 3.27Å; Y103-I107 WeakPolarHBondContact O-CG1 3.24Å; Y103-I107 PolarHBondContact O-N 3.38Å
104G78.8Confident71.2Confident39 Ų3990.6 Ų90.640%0.40248%0.483SS..Hα-helixtrans-57.9-39.5174.200000113.2I100 F108I100-G104 PolarHBondContact O-N 3.46Å; G104-F108 VanDerWaalsContact O-CB 3.32Å; G104-F108 WeakPolarHBondContact O-CB 3.5Å; G104-F108 PolarHBondContact O-N 3.43Å
105F77.4Confident72.7Confident100 Ų10092.3 Ų92.344%0.43948%0.48SS..Hα-helixtrans-70-40.1174.2-176.4-107.5000112.7P101 I102 Y103 F108 L109P101-F105 WeakPolarHBondContact O-CB 3.2Å; P101-F105 PolarHBondContact O-N 2.9Å; I102-F105 PolarHBondContact O-N 3Å; Y103-F105 VanDerWaalsContact C-N 3.29Å; Y103-F105 PolarHBondContact O-N 2.87Å; F105-F108 PolarHBondContact O-N 3.17Å; F105-L109 HydrophobicContact CD1-CD1 4Å; F105-L109 HydrophobicContact CD1-CG 4.39Å; F105-L109 HydrophobicContact CE1-CD1 3.4Å; F105-L109 HydrophobicContact CE1-CG 4.02Å; F105-L109 HydrophobicContact CE2-CD1 4.49Å; F105-L109 HydrophobicContact CE2-CD2 4.45Å; F105-L109 HydrophobicContact CE2-CG 4.31Å; F105-L109 HydrophobicContact CZ-CD1 3.68Å; F105-L109 HydrophobicContact CZ-CD2 4.2Å; F105-L109 HydrophobicContact CZ-CG 3.98Å; F105-L109 WeakPolarHBondContact O-CG 3.3Å; F105-L109 PolarHBondContact O-N 3.32Å
106G83.6Confident73.4Confident38 Ų3891 Ų9139%0.39247%0.468SS..Hα-helixtrans-60.6-45.717400000112.8I102 Y103 L109 Y110I102-G106 PolarHBondContact O-N 3.27Å; Y103-G106 PolarHBondContact O-N 2.9Å; Y103-G106 VanDerWaalsContact O-N 3.15Å; G106-L109 PolarHBondContact O-N 3.27Å; G106-Y110 WeakPolarHBondContact O-CB 3.24Å; G106-Y110 PolarHBondContact O-N 3.05Å
107I83.9Confident74.8Confident102 Ų10289.9 Ų89.952%0.52346%0.459SS..Hα-helixtrans-62.4-43.3175-65.9161000110.5Y103 Y110 I111Y103-I107 WeakPolarHBondContact O-CD1 3.27Å; Y103-I107 VanDerWaalsContact O-CG1 3.27Å; Y103-I107 WeakPolarHBondContact O-CG1 3.24Å; Y103-I107 PolarHBondContact O-N 3.38Å; I107-Y110 PolarHBondContact O-N 3.41Å; I107-I111 HydrophobicContact CG2-CD1 3.87Å; I107-I111 HydrophobicContact CG2-CG1 4.49Å; I107-I111 VanDerWaalsContact O-CG1 3.3Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 3.43Å
108F79.6Confident75.2Confident59 Ų5992.5 Ų92.526%0.25946%0.458SS..Hα-helixtrans-62.5-43.5177-177.9-97.2000112.5G14 A18 G104 F105 Y110 I111 L112G14-F108 WeakPolarHBondContact O-CZ 3.48Å; A18-F108 HydrophobicContact CB-CD1 4.17Å; A18-F108 HydrophobicContact CB-CE1 3.54Å; A18-F108 HydrophobicContact CB-CZ 4.04Å; G104-F108 VanDerWaalsContact O-CB 3.32Å; G104-F108 WeakPolarHBondContact O-CB 3.5Å; G104-F108 PolarHBondContact O-N 3.43Å; F105-F108 PolarHBondContact O-N 3.17Å; F108-Y110 VanDerWaalsContact C-N 3.34Å; F108-I111 PolarHBondContact O-N 3.08Å; F108-L112 HydrophobicContact CD1-CD1 3.97Å; F108-L112 HydrophobicContact CD1-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.32Å; F108-L112 HydrophobicContact CE1-CG 4.05Å; F108-L112 HydrophobicContact CZ-CD1 3.77Å; F108-L112 HydrophobicContact CZ-CG 4.18Å; F108-L112 WeakPolarHBondContact O-CG 3.5Å; F108-L112 PolarHBondContact O-N 3.38Å
109L81.2Confident75.4Confident85 Ų8589.1 Ų89.145%0.44545%0.447SS..Hα-helixtrans-66.2-34.4173.5-72.5-174.4000112.6F105 G106 L112 Y113F105-L109 HydrophobicContact CD1-CD1 4Å; F105-L109 HydrophobicContact CD1-CG 4.39Å; F105-L109 HydrophobicContact CE1-CD1 3.4Å; F105-L109 HydrophobicContact CE1-CG 4.02Å; F105-L109 HydrophobicContact CE2-CD1 4.49Å; F105-L109 HydrophobicContact CE2-CD2 4.45Å; F105-L109 HydrophobicContact CE2-CG 4.31Å; F105-L109 HydrophobicContact CZ-CD1 3.68Å; F105-L109 HydrophobicContact CZ-CD2 4.2Å; F105-L109 HydrophobicContact CZ-CG 3.98Å; F105-L109 WeakPolarHBondContact O-CG 3.3Å; F105-L109 PolarHBondContact O-N 3.32Å; G106-L109 PolarHBondContact O-N 3.27Å; L109-L112 PolarHBondContact O-N 2.78Å; L109-Y113 VanDerWaalsContact O-CB 3.28Å; L109-Y113 WeakPolarHBondContact O-CB 3.47Å; L109-Y113 PolarHBondContact O-N 2.79Å
110Y84.4Confident75.2Confident147 Ų14792.1 Ų92.158%0.57646%0.458SS*.Hα-helixtrans-66.9-43.1175.3-178.6-108.5000112G106 I107 F108 Y113 I114G106-Y110 WeakPolarHBondContact O-CB 3.24Å; G106-Y110 PolarHBondContact O-N 3.05Å; I107-Y110 PolarHBondContact O-N 3.41Å; F108-Y110 VanDerWaalsContact C-N 3.34Å; Y110-Y113 WeakPolarHBondContact O-CB 3.48Å; Y110-Y113 PolarHBondContact O-N 2.7Å; Y110-I114 HydrophobicContact CD1-CD1 3.86Å; Y110-I114 HydrophobicContact CE1-CD1 3.39Å; Y110-I114 HydrophobicContact CE1-CG1 4.42Å; Y110-I114 HydrophobicContact CE2-CD1 4.28Å; Y110-I114 HydrophobicContact CG-CD1 4.49Å; Y110-I114 WeakPolarHBondContact O-CG1 3.24Å; Y110-I114 PolarHBondContact O-N 3.38Å
111I84.1Confident74.6Confident84 Ų8489.3 Ų89.343%0.43146%0.459SS..Hα-helixtrans-60.8-46.4172.8-66.9163.1000110.2I107 F108 Y113 I114 L115I107-I111 HydrophobicContact CG2-CD1 3.87Å; I107-I111 HydrophobicContact CG2-CG1 4.49Å; I107-I111 VanDerWaalsContact O-CG1 3.3Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 3.43Å; F108-I111 PolarHBondContact O-N 3.08Å; I111-Y113 VanDerWaalsContact C-N 3.33Å; I111-Y113 PolarHBondContact O-N 3.32Å; I111-I114 PolarHBondContact O-N 3.44Å; I111-L115 HydrophobicContact CG2-CD1 3.91Å; I111-L115 HydrophobicContact CG2-CG 4.46Å; I111-L115 WeakPolarHBondContact O-CB 3.43Å; I111-L115 VanDerWaalsContact O-CG 3.27Å; I111-L115 WeakPolarHBondContact O-CG 3.3Å; I111-L115 PolarHBondContact O-N 2.97Å
112L80.7Confident73.8Confident49 Ų4994.6 Ų94.626%0.25748%0.475SS..Hα-helixtrans-64-36174.9-73.1-176.5000112.8L11 F108 L109 L115 F116L11-L112 HydrophobicContact CD2-CD2 4.15Å; F108-L112 HydrophobicContact CD1-CD1 3.97Å; F108-L112 HydrophobicContact CD1-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.32Å; F108-L112 HydrophobicContact CE1-CG 4.05Å; F108-L112 HydrophobicContact CZ-CD1 3.77Å; F108-L112 HydrophobicContact CZ-CG 4.18Å; F108-L112 WeakPolarHBondContact O-CG 3.5Å; F108-L112 PolarHBondContact O-N 3.38Å; L109-L112 PolarHBondContact O-N 2.78Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-F116 WeakPolarHBondContact O-CB 3.13Å; L112-F116 PolarHBondContact O-N 3.09Å
113Y82.4Confident72.5Confident125 Ų12594.2 Ų94.249%0.4948%0.477SS..Hα-helixtrans-64-46.3175169.4-96.5000111.3L109 Y110 I111 F116 K117L109-Y113 VanDerWaalsContact O-CB 3.28Å; L109-Y113 WeakPolarHBondContact O-CB 3.47Å; L109-Y113 PolarHBondContact O-N 2.79Å; Y110-Y113 WeakPolarHBondContact O-CB 3.48Å; Y110-Y113 PolarHBondContact O-N 2.7Å; I111-Y113 VanDerWaalsContact C-N 3.33Å; I111-Y113 PolarHBondContact O-N 3.32Å; Y113-F116 PolarHBondContact O-N 3.06Å; Y113-K117 HydrophobicContact CE1-CD 3.97Å; Y113-K117 WeakPolarHBondContact O-CB 3.17Å; Y113-K117 PolarHBondContact O-N 2.95Å; Y113-K117 PolarHBondContact OH-NZ 3.2Å
114I81.8Confident70.6Confident64 Ų6493.1 Ų93.133%0.32849%0.487SS..Hα-helixtrans-60.3-51174.3-69.4169.4000109.9Y110 I111 F116 K117 L118Y110-I114 HydrophobicContact CD1-CD1 3.86Å; Y110-I114 HydrophobicContact CE1-CD1 3.39Å; Y110-I114 HydrophobicContact CE1-CG1 4.42Å; Y110-I114 HydrophobicContact CE2-CD1 4.28Å; Y110-I114 HydrophobicContact CG-CD1 4.49Å; Y110-I114 WeakPolarHBondContact O-CG1 3.24Å; Y110-I114 PolarHBondContact O-N 3.38Å; I111-I114 PolarHBondContact O-N 3.44Å; I114-F116 VanDerWaalsContact C-N 3.27Å; I114-F116 PolarHBondContact O-N 2.91Å; I114-K117 PolarHBondContact O-N 2.69Å; I114-L118 HydrophobicContact CG2-CD1 3.63Å; I114-L118 HydrophobicContact CG2-CG 4.19Å; I114-L118 WeakPolarHBondContact O-CB 3.4Å; I114-L118 VanDerWaalsContact O-CG 3.24Å; I114-L118 WeakPolarHBondContact O-CG 3.41Å; I114-L118 PolarHBondContact O-N 3.07Å
115L78.6Confident68.7Low88 Ų8895.8 Ų95.846%0.46151%0.505SS..Hα-helixtrans-61.3-34.3179.4-68.8172.5000112.6I111 L112 S119I111-L115 HydrophobicContact CG2-CD1 3.91Å; I111-L115 HydrophobicContact CG2-CG 4.46Å; I111-L115 WeakPolarHBondContact O-CB 3.43Å; I111-L115 VanDerWaalsContact O-CG 3.27Å; I111-L115 WeakPolarHBondContact O-CG 3.3Å; I111-L115 PolarHBondContact O-N 2.97Å; L112-L115 PolarHBondContact O-N 2.93Å; L115-S119 WeakPolarHBondContact O-CB 3.35Å; L115-S119 PolarHBondContact O-N 3.35Å; L115-S119 PolarHBondContact O-OG 3.35Å
116F72.5Confident66.9Low112 Ų112100.4 Ų100.449%0.49153%0.528SS..Hα-helixtrans-75.8-38.4176.3-175.4-111.7000112.5L112 Y113 I114 S119 K120L112-F116 WeakPolarHBondContact O-CB 3.13Å; L112-F116 PolarHBondContact O-N 3.09Å; Y113-F116 PolarHBondContact O-N 3.06Å; I114-F116 VanDerWaalsContact C-N 3.27Å; I114-F116 PolarHBondContact O-N 2.91Å; F116-S119 PolarHBondContact O-N 3.3Å; F116-K120 HydrophobicContact CD1-CD 4.12Å; F116-K120 HydrophobicContact CE1-CD 3.76Å; F116-K120 HydrophobicContact CZ-CD 4.05Å; F116-K120 WeakPolarHBondContact O-CB 3.29Å; F116-K120 PolarHBondContact O-N 3.14Å
117K76.8Confident64.9Low127 Ų127106.5 Ų106.555%0.55255%0.551SS**Hα-helixtrans-64.4-45.3173.9-170174.5-173.8174.50110.3Y113 I114 K120 G121Y113-K117 HydrophobicContact CE1-CD 3.97Å; Y113-K117 WeakPolarHBondContact O-CB 3.17Å; Y113-K117 PolarHBondContact O-N 2.95Å; Y113-K117 PolarHBondContact OH-NZ 3.2Å; I114-K117 PolarHBondContact O-N 2.69Å; K117-K120 PolarHBondContact O-N 3.39Å; K117-G121 PolarHBondContact O-N 3.23Å
118L63.9Low62.7Low113 Ų113104.6 Ų104.659%0.59256%0.557SS**Hα-helixtrans-66.5-35.2173.1-66173.9000112.7I114I114-L118 HydrophobicContact CG2-CD1 3.63Å; I114-L118 HydrophobicContact CG2-CG 4.19Å; I114-L118 WeakPolarHBondContact O-CB 3.4Å; I114-L118 VanDerWaalsContact O-CG 3.24Å; I114-L118 WeakPolarHBondContact O-CG 3.41Å; I114-L118 PolarHBondContact O-N 3.07Å
119S59.2Low60.4Low39 Ų39105.5 Ų105.527%0.27358%0.582SS.*Hα-helixtrans-74.3-29.7175.9-63.30000113.4Q7 L115 F116Q7-S119 PolarHBondContact NE2-OG 3.49Å; L115-S119 WeakPolarHBondContact O-CB 3.35Å; L115-S119 PolarHBondContact O-N 3.35Å; L115-S119 PolarHBondContact O-OG 3.35Å; F116-S119 PolarHBondContact O-N 3.3Å
120K54.6Low58.1Low124 Ų124110.8 Ų110.854%0.53960%0.602SS.*Hα-helixtrans-78.8-39.4172.9-85.8-177.8143.257.50112.3F116 K117 K122F116-K120 HydrophobicContact CD1-CD 4.12Å; F116-K120 HydrophobicContact CE1-CD 3.76Å; F116-K120 HydrophobicContact CZ-CD 4.05Å; F116-K120 WeakPolarHBondContact O-CB 3.29Å; F116-K120 PolarHBondContact O-N 3.14Å; K117-K120 PolarHBondContact O-N 3.39Å; K120-K122 PolarHBondContact O-N 3.42Å; K120-K122 VanDerWaalsContact O-N 3.09Å
121G48.4Very low55.7Low62 Ų62108.7 Ų108.764%0.63961%0.607SS**THydrogen-bonded Turntrans-7310.5-179.900000115.2K117K117-G121 PolarHBondContact O-N 3.23Å
122K50.4Low53.3Low178 Ų178110.4 Ų110.477%0.77463%0.627SS**THydrogen-bonded Turntrans-128.236.3-177.9-155.2169176.867.40113.6K120K120-K122 PolarHBondContact O-N 3.42Å; K120-K122 VanDerWaalsContact O-N 3.09Å
123T46.1Very low50.8Low94 Ų94114.3 Ų114.358%0.57765%0.653SS**SBendtrans-140.52816667.70000115
124T33.4Very low48.4Very low127 Ų127112.8 Ų112.878%0.77967%0.667SS**  trans-108.7121.8157.139.90000108
125A39.5Very low46.3Very low95 Ų95115.8 Ų115.879%0.78569%0.688SS**  trans-78129.817000000108.4
126E39.2Very low44.8Very low196 Ų196117.5 Ų117.592%0.91671%0.705SS**  trans-118.583.5149.8-72.5-163123.100107.9
127D42Very low43Very low167 Ų167115.5 Ų115.589%0.89372%0.716SS**  trans-78.4120143.9175.219.1000107
128G37.5Very low41.8Very low62 Ų62116.6 Ų116.664%0.63973%0.727SS**  trans112.473.2165.100000117.9
129G31.3Very low41Very low77 Ų77116.9 Ų116.979%0.79473%0.734SS**  trans-138.415.8-179.300000118.5C131G129-C131 PolarHBondContact O-N 3.34Å
130K32.8Very low40.7Very low196 Ų196123.9 Ų123.985%0.85276%0.762SS**  trans14.299.6162.6-50170.1-165.7169.70116.7
131C33.9Very low40.7Very low103 Ų103128.2 Ų128.270%0.69678%0.775SS**  73.9113.790-169.60000116.6G129G129-C131 PolarHBondContact O-N 3.34Å
132S34Very low40.8Very low121 Ų121134 Ų13485%0.84678%0.783SS**  trans-155.7106.6144.4-76.40000104.7
133T28.3Very low41.3Very low130 Ų130131.7 Ų131.780%0.79878%0.777SS**SBend-130.1136.466.550.80000116
134A31.8Very low42.2Very low94 Ų94130 Ų13078%0.77777%0.767SS**  trans53.883.7148.500000121.8
135T38.6Very low43.8Very low127 Ų127128.9 Ų128.978%0.77976%0.764SS**  -6.2154.6125.5-52.40000119
136P46.7Very low45.5Very low124 Ų124130.6 Ų130.681%0.80575%0.754SS**  cis-123170.1-6.427-6.2000114.3
137G35.5Very low47.5Very low70 Ų70124.8 Ų124.872%0.72273%0.727SS**  cis163.5166.4-1.800000112
138N51.6Low49.2Very low149 Ų149121.8 Ų121.880%0.79771%0.71SS**  trans64.598.9170.8-174.243.1000118.7
139T46.6Very low51.2Low120 Ų120121.4 Ų121.474%0.73670%0.701SS**  -172.976.2101.438.70000111.7R141T139-R141 VanDerWaalsContact C-N 3.34Å; T139-R141 PolarHBondContact O-N 3.27Å
140H53.2Low53.8Low186 Ų186123 Ų12386%0.86169%0.688SS**  trans-76.288.9162.2177.9-97.4000109.8
141R54.6Low56.2Low215 Ų215119 Ų11981%0.81168%0.675SS**SBendtrans-176.5110.9153.4-101.4148.2-174.2-176.43110.8T139T139-R141 VanDerWaalsContact C-N 3.34Å; T139-R141 PolarHBondContact O-N 3.27Å
142K49.8Very low58.7Low184 Ų184121 Ų12180%0.867%0.674SS**  trans69.5100.5178.3-48.2174.3-175178.20112.7T144K142-T144 PolarHBondContact O-N 3.22Å
143I60.5Low61.1Low128 Ų128121.8 Ų121.866%0.65667%0.665SS**  trans-50.9114.6150.9-65.6162000105.3E147 L148I143-E147 WeakPolarHBondContact CA-OE2 3.35Å; I143-E147 HydrophobicContact CG2-CB 4.35Å; I143-L148 HydrophobicContact CG2-CD1 4.22Å; I143-L148 HydrophobicContact CG2-CD2 4.38Å; I143-L148 HydrophobicContact CG2-CG 3.88Å
144T66Low63.9Low58 Ų58121 Ų12136%0.35665%0.65SS.*  trans-86.6148.9-171.329.80000108.5K142 F146 E147K142-T144 PolarHBondContact O-N 3.22Å; T144-F146 PolarHBondContact O-N 3.07Å; T144-F146 VanDerWaalsContact OG1-CD1 3.29Å; T144-F146 WeakPolarHBondContact OG1-CD1 3.45Å; T144-F146 WeakPolarHBondContact OG1-CE1 3.48Å; T144-E147 PolarHBondContact N-OE2 3.2Å; T144-E147 PolarHBondContact O-N 3.23Å
145S67.4Low66.5Low104 Ų104122.3 Ų122.373%0.72764%0.644SS**Hα-helixtrans-59.5-18.5-172.148.60000113.8A149S145-A149 VanDerWaalsContact O-CB 3.27Å; S145-A149 WeakPolarHBondContact O-CB 3.49Å; S145-A149 PolarHBondContact O-N 3.15Å
146F73.8Confident68.9Low131 Ų131123.1 Ų123.158%0.57564%0.636SS**Hα-helixtrans-68.8-36.4172.682.1-104.9000112.9T144 A149 Q150T144-F146 PolarHBondContact O-N 3.07Å; T144-F146 VanDerWaalsContact OG1-CD1 3.29Å; T144-F146 WeakPolarHBondContact OG1-CD1 3.45Å; T144-F146 WeakPolarHBondContact OG1-CE1 3.48Å; F146-A149 PolarHBondContact O-N 2.94Å; F146-Q150 WeakPolarHBondContact O-CB 3.14Å; F146-Q150 PolarHBondContact O-N 3.37Å
147E81.1Confident70.7Confident75 Ų75122.5 Ų122.535%0.3562%0.623SS.*Hα-helixtrans-70-39.9179.1-62.2176.2141.300110.8I143 T144 Q150 L151I143-E147 WeakPolarHBondContact CA-OE2 3.35Å; I143-E147 HydrophobicContact CG2-CB 4.35Å; T144-E147 PolarHBondContact N-OE2 3.2Å; T144-E147 PolarHBondContact O-N 3.23Å; E147-Q150 PolarHBondContact O-N 2.69Å; E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 WeakPolarHBondContact O-CG 3.45Å; E147-L151 PolarHBondContact O-N 3.27Å
148L77.4Confident73Confident103 Ų103123.2 Ų123.254%0.53961%0.613SS.*Hα-helixtrans-66.3-41.8173-72.5169.9000111.6I143 Q150 L151 Q152I143-L148 HydrophobicContact CG2-CD1 4.22Å; I143-L148 HydrophobicContact CG2-CD2 4.38Å; I143-L148 HydrophobicContact CG2-CG 3.88Å; L148-Q150 VanDerWaalsContact C-N 3.34Å; L148-L151 PolarHBondContact O-N 2.76Å; L148-Q152 VanDerWaalsContact O-CB 3.25Å; L148-Q152 WeakPolarHBondContact O-CB 3.17Å; L148-Q152 PolarHBondContact O-N 3.23Å
149A79.9Confident74.6Confident54 Ų54121.6 Ų121.645%0.44660%0.601SS.*Hα-helixtrans-63.5-40.3174.300000111.7S145 F146 Q152 E153S145-A149 VanDerWaalsContact O-CB 3.27Å; S145-A149 WeakPolarHBondContact O-CB 3.49Å; S145-A149 PolarHBondContact O-N 3.15Å; F146-A149 PolarHBondContact O-N 2.94Å; A149-Q152 PolarHBondContact O-N 2.86Å; A149-E153 VanDerWaalsContact O-CB 3.27Å; A149-E153 WeakPolarHBondContact O-CB 3.21Å; A149-E153 PolarHBondContact O-N 3.05Å
150Q85.9Confident76.4Confident111 Ų111118.4 Ų118.452%0.51959%0.586SS.*Hα-helixtrans-67.2-42.2177.1-174.1178.649.200111.9F146 E147 L148 Q152 E153 K154F146-Q150 WeakPolarHBondContact O-CB 3.14Å; F146-Q150 PolarHBondContact O-N 3.37Å; E147-Q150 PolarHBondContact O-N 2.69Å; L148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-Q152 VanDerWaalsContact C-N 3.34Å; Q150-E153 PolarHBondContact O-N 2.85Å; Q150-K154 WeakPolarHBondContact O-CB 3.35Å; Q150-K154 VanDerWaalsContact O-CG 3.23Å; Q150-K154 WeakPolarHBondContact O-CG 3.39Å; Q150-K154 PolarHBondContact O-N 2.97Å
151L84.1Confident77.8Confident111 Ų111111.9 Ų111.958%0.58157%0.565SS**Hα-helixtrans-65.5-36.8173.4-75.4168.6000112E147 L148 L155E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 WeakPolarHBondContact O-CG 3.45Å; E147-L151 PolarHBondContact O-N 3.27Å; L148-L151 PolarHBondContact O-N 2.76Å; L151-L155 WeakPolarHBondContact O-CB 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.39Å; L151-L155 PolarHBondContact O-N 3.46Å
152Q85.1Confident79Confident145 Ų145107.4 Ų107.468%0.67856%0.555SS**Hα-helixtrans-71.1-36.7175.1-173.7178.5-30.800112.1L148 A149 Q150 L155 K156L148-Q152 VanDerWaalsContact O-CB 3.25Å; L148-Q152 WeakPolarHBondContact O-CB 3.17Å; L148-Q152 PolarHBondContact O-N 3.23Å; A149-Q152 PolarHBondContact O-N 2.86Å; Q150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-L155 PolarHBondContact O-N 3.36Å; Q152-K156 VanDerWaalsContact O-CB 3.32Å; Q152-K156 WeakPolarHBondContact O-CB 3.27Å; Q152-K156 PolarHBondContact O-N 3.17Å
153E85.7Confident80.6Confident139 Ų139103.7 Ų103.765%0.6554%0.54SS*.Hα-helixtrans-66.2-42.5172.5-178169.4-144.600110.9A149 Q150 K156 E157A149-E153 VanDerWaalsContact O-CB 3.27Å; A149-E153 WeakPolarHBondContact O-CB 3.21Å; A149-E153 PolarHBondContact O-N 3.05Å; Q150-E153 PolarHBondContact O-N 2.85Å; E153-K156 CarbonylContact O-C 3.55Å; E153-K156 PolarHBondContact O-N 2.99Å; E153-E157 WeakPolarHBondContact O-CB 3.35Å; E153-E157 PolarHBondContact O-N 2.99Å
154K87.5Confident81.6Confident113 Ų113103.8 Ų103.849%0.49154%0.536SS..Hα-helixtrans-61.1-42.8172-74.7-75.4161.5-156.60112.3Q150 E157 T158Q150-K154 WeakPolarHBondContact O-CB 3.35Å; Q150-K154 VanDerWaalsContact O-CG 3.23Å; Q150-K154 WeakPolarHBondContact O-CG 3.39Å; Q150-K154 PolarHBondContact O-N 2.97Å; K154-E157 IonicContact NZ-OE2 2.77Å; K154-E157 PolarHBondContact NZ-OE2 3.4Å; K154-E157 WeakPolarHBondContact O-CB 3.43Å; K154-E157 PolarHBondContact O-N 3.24Å; K154-T158 WeakPolarHBondContact O-CG2 3.48Å; K154-T158 PolarHBondContact O-N 3.34Å; K154-T158 PolarHBondContact O-OG1 2.99Å
155L86.5Confident82.4Confident122 Ų122106.3 Ų106.364%0.63955%0.547SS*.Hα-helixtrans-63.2-42.5173.3-81.6167.8000111.7L151 Q152 E157 T158 E159L151-L155 WeakPolarHBondContact O-CB 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.39Å; L151-L155 PolarHBondContact O-N 3.46Å; Q152-L155 PolarHBondContact O-N 3.36Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.33Å; L155-T158 WeakPolarHBondContact CA-OG1 3.32Å; L155-T158 CarbonylContact O-C 3.55Å; L155-T158 PolarHBondContact O-N 3.08Å; L155-T158 VanDerWaalsContact O-N 3.16Å; L155-T158 PolarHBondContact O-OG1 2.93Å; L155-E159 WeakPolarHBondContact O-CB 3.49Å; L155-E159 PolarHBondContact O-N 3.16Å
156K88.3Confident82.8Confident144 Ų144106.2 Ų106.263%0.62654%0.537SS*.Hα-helixtrans-66.1-32.8175.9-169.5-179.2179.7-173.40112.8Q152 E153 E159 A160Q152-K156 VanDerWaalsContact O-CB 3.32Å; Q152-K156 WeakPolarHBondContact O-CB 3.27Å; Q152-K156 PolarHBondContact O-N 3.17Å; E153-K156 CarbonylContact O-C 3.55Å; E153-K156 PolarHBondContact O-N 2.99Å; K156-E159 PolarHBondContact O-N 3.44Å; K156-A160 WeakPolarHBondContact O-CB 3.3Å; K156-A160 PolarHBondContact O-N 3.09Å
157E85Confident82.7Confident111 Ų111106.1 Ų106.152%0.51954%0.543SS..Hα-helixtrans-64.9-43.1171-172.4-179.8-167.200110.3E153 K154 L155 A161E153-E157 WeakPolarHBondContact O-CB 3.35Å; E153-E157 PolarHBondContact O-N 2.99Å; K154-E157 IonicContact NZ-OE2 2.77Å; K154-E157 PolarHBondContact NZ-OE2 3.4Å; K154-E157 WeakPolarHBondContact O-CB 3.43Å; K154-E157 PolarHBondContact O-N 3.24Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.33Å; E157-A161 VanDerWaalsContact O-CB 3.27Å; E157-A161 WeakPolarHBondContact O-CB 3.27Å; E157-A161 PolarHBondContact O-N 3.44Å
158T83.8Confident82Confident84 Ų84112.1 Ų112.152%0.51556%0.562SS.*Hα-helixtrans-68.8-34.2173.560.80000113.4K154 L155 A161 M162K154-T158 WeakPolarHBondContact O-CG2 3.48Å; K154-T158 PolarHBondContact O-N 3.34Å; K154-T158 PolarHBondContact O-OG1 2.99Å; L155-T158 WeakPolarHBondContact CA-OG1 3.32Å; L155-T158 CarbonylContact O-C 3.55Å; L155-T158 PolarHBondContact O-N 3.08Å; L155-T158 VanDerWaalsContact O-N 3.16Å; L155-T158 PolarHBondContact O-OG1 2.93Å; T158-A161 PolarHBondContact O-N 2.84Å; T158-M162 VanDerWaalsContact O-CB 3.24Å; T158-M162 WeakPolarHBondContact O-CB 3.3Å; T158-M162 PolarHBondContact O-N 2.7Å
159E83.9Confident81.3Confident115 Ų115112.4 Ų112.454%0.53757%0.568SS.*Hα-helixtrans-63.9-51.2173.2-176.7176.1-145.100110.1L155 K156 A161 M162 E163L155-E159 WeakPolarHBondContact O-CB 3.49Å; L155-E159 PolarHBondContact O-N 3.16Å; K156-E159 PolarHBondContact O-N 3.44Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 3.4Å; E159-M162 CarbonylContact O-C 3.57Å; E159-M162 PolarHBondContact O-N 2.8Å; E159-M162 VanDerWaalsContact O-N 3.15Å; E159-E163 WeakPolarHBondContact O-CB 3.42Å; E159-E163 WeakPolarHBondContact O-CG 3.25Å; E159-E163 PolarHBondContact O-N 3.47Å
160A84Confident80.2Confident53 Ų53111 Ų11144%0.43856%0.558SS.*Hα-helixtrans-64-34.1176.400000113K156 K164K156-A160 WeakPolarHBondContact O-CB 3.3Å; K156-A160 PolarHBondContact O-N 3.09Å; A160-K164 VanDerWaalsContact O-CB 3.23Å; A160-K164 WeakPolarHBondContact O-CB 3.46Å; A160-K164 PolarHBondContact O-N 3.18Å
161A84Confident78.9Confident50 Ų50111 Ų11141%0.41357%0.568SS.*Hα-helixtrans-68.2-41.8172.600000111.7E157 T158 E159 K164 L165E157-A161 VanDerWaalsContact O-CB 3.27Å; E157-A161 WeakPolarHBondContact O-CB 3.27Å; E157-A161 PolarHBondContact O-N 3.44Å; T158-A161 PolarHBondContact O-N 2.84Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 3.4Å; A161-K164 WeakPolarHBondContact O-CB 3.49Å; A161-K164 PolarHBondContact O-N 2.94Å; A161-L165 WeakPolarHBondContact O-CG 3.46Å; A161-L165 PolarHBondContact O-N 2.98Å
162M79.6Confident77.4Confident120 Ų120112.5 Ų112.559%0.59158%0.577SS**Hα-helixtrans-65.6-42.6174.9-174.5178.1-6900111.4T158 E159 K164 L165 I166T158-M162 VanDerWaalsContact O-CB 3.24Å; T158-M162 WeakPolarHBondContact O-CB 3.3Å; T158-M162 PolarHBondContact O-N 2.7Å; E159-M162 CarbonylContact O-C 3.57Å; E159-M162 PolarHBondContact O-N 2.8Å; E159-M162 VanDerWaalsContact O-N 3.15Å; M162-K164 VanDerWaalsContact C-N 3.34Å; M162-K164 PolarHBondContact O-N 3.33Å; M162-L165 CarbonylContact O-C 3.57Å; M162-L165 WeakPolarHBondContact O-CB 3.48Å; M162-L165 PolarHBondContact O-N 2.89Å; M162-L165 VanDerWaalsContact O-N 3.15Å; M162-I166 HydrophobicContact CG-CD1 3.84Å; M162-I166 HydrophobicContact CG-CG1 4.48Å; M162-I166 VanDerWaalsContact O-CG1 3.3Å; M162-I166 WeakPolarHBondContact O-CG1 3.38Å; M162-I166 PolarHBondContact O-N 2.85Å
163E82.4Confident76Confident107 Ų107108.3 Ų108.350%0.557%0.572SS.*Hα-helixtrans-62.6-39172.1-73.4-173.3158.300111.7E159 L165 I166 N167E159-E163 WeakPolarHBondContact O-CB 3.42Å; E159-E163 WeakPolarHBondContact O-CG 3.25Å; E159-E163 PolarHBondContact O-N 3.47Å; E163-L165 VanDerWaalsContact C-N 3.29Å; E163-L165 PolarHBondContact O-N 2.91Å; E163-I166 PolarHBondContact O-N 3.31Å; E163-N167 WeakPolarHBondContact O-CB 3.11Å; E163-N167 PolarHBondContact O-N 3.4Å; E163-N167 PolarHBondContact O-ND2 3.32Å
164K82.8Confident74.4Confident129 Ų129108.4 Ų108.456%0.56157%0.573SS**Hα-helixtrans-65.3-31.9173.6-177.6178.3179.7179.90112.4A160 A161 M162 R168A160-K164 VanDerWaalsContact O-CB 3.23Å; A160-K164 WeakPolarHBondContact O-CB 3.46Å; A160-K164 PolarHBondContact O-N 3.18Å; A161-K164 WeakPolarHBondContact O-CB 3.49Å; A161-K164 PolarHBondContact O-N 2.94Å; M162-K164 VanDerWaalsContact C-N 3.34Å; M162-K164 PolarHBondContact O-N 3.33Å; K164-R168 WeakPolarHBondContact O-CB 3.44Å; K164-R168 WeakPolarHBondContact O-CG 3.28Å; K164-R168 PolarHBondContact O-N 3.3Å
165L81.5Confident72.6Confident112 Ų112105.7 Ų105.759%0.58657%0.568SS**Hα-helixtrans-71.5-49.2170.1-69.8173.4000110.8A161 M162 E163 N167 R168 V169A161-L165 WeakPolarHBondContact O-CG 3.46Å; A161-L165 PolarHBondContact O-N 2.98Å; M162-L165 CarbonylContact O-C 3.57Å; M162-L165 WeakPolarHBondContact O-CB 3.48Å; M162-L165 PolarHBondContact O-N 2.89Å; M162-L165 VanDerWaalsContact O-N 3.15Å; E163-L165 VanDerWaalsContact C-N 3.29Å; E163-L165 PolarHBondContact O-N 2.91Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-N167 PolarHBondContact O-N 3.02Å; L165-R168 CarbonylContact O-C 3.47Å; L165-R168 PolarHBondContact O-N 2.64Å; L165-R168 VanDerWaalsContact O-N 3.08Å; L165-V169 WeakPolarHBondContact O-CB 3.38Å; L165-V169 VanDerWaalsContact O-CG2 3.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.12Å
166I76.2Confident70.9Confident102 Ų102110.4 Ų110.452%0.52358%0.577SS.*Hα-helixtrans-61.6-38.9178.9-68.3163.8000111.9M162 E163 R168 V169 G170M162-I166 HydrophobicContact CG-CD1 3.84Å; M162-I166 HydrophobicContact CG-CG1 4.48Å; M162-I166 VanDerWaalsContact O-CG1 3.3Å; M162-I166 WeakPolarHBondContact O-CG1 3.38Å; M162-I166 PolarHBondContact O-N 2.85Å; E163-I166 PolarHBondContact O-N 3.31Å; I166-R168 VanDerWaalsContact C-N 3.29Å; I166-R168 PolarHBondContact O-N 2.9Å; I166-V169 CarbonylContact O-C 3.59Å; I166-V169 PolarHBondContact O-N 3.09Å; I166-G170 PolarHBondContact O-N 3.47Å
167N72.8Confident69Low129 Ų129106.8 Ų106.869%0.6957%0.574SS**Hα-helixtrans-72.1-21.8176.9-71.3-41.2000112.9E163 L165E163-N167 WeakPolarHBondContact O-CB 3.11Å; E163-N167 PolarHBondContact O-N 3.4Å; E163-N167 PolarHBondContact O-ND2 3.32Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-N167 PolarHBondContact O-N 3.02Å
168R66.3Low67.6Low200 Ų200107.3 Ų107.376%0.75558%0.577SS**Hα-helixtrans-88.2-36170.5-78176.6163.9-173.8-7.8112.3K164 L165 I166 G170K164-R168 WeakPolarHBondContact O-CB 3.44Å; K164-R168 WeakPolarHBondContact O-CG 3.28Å; K164-R168 PolarHBondContact O-N 3.3Å; L165-R168 CarbonylContact O-C 3.47Å; L165-R168 PolarHBondContact O-N 2.64Å; L165-R168 VanDerWaalsContact O-N 3.08Å; I166-R168 VanDerWaalsContact C-N 3.29Å; I166-R168 PolarHBondContact O-N 2.9Å; R168-G170 PolarHBondContact O-N 2.92Å
169V62.1Low66Low109 Ų109107.7 Ų107.766%0.66158%0.579SS**SBendtrans-89.843.6170.8-170.50000108.7L165 I166L165-V169 WeakPolarHBondContact O-CB 3.38Å; L165-V169 VanDerWaalsContact O-CG2 3.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.12Å; I166-V169 CarbonylContact O-C 3.59Å; I166-V169 PolarHBondContact O-N 3.09Å
170G58Low64.6Low24 Ų24107.2 Ų107.225%0.24758%0.584CS.*SBendtrans-65177.8163.200000110.6I166 R168 N172 G173I166-G170 PolarHBondContact O-N 3.47Å; R168-G170 PolarHBondContact O-N 2.92Å; G170-N172 PolarHBondContact O-N 3.22Å; G170-G173 PolarHBondContact O-N 2.83Å
171P58.6Low63.4Low112 Ų112107.7 Ų107.773%0.72758%0.581SS**THydrogen-bonded Turntrans-64.911.4-16526.3-36.8000117.2S175P171-S175 PolarHBondContact O-OG 3.37Å
172N51.5Low62.8Low143 Ų143106.8 Ų106.877%0.76557%0.572SS**THydrogen-bonded Turntrans-93-4.4177.9-64.3-31.5000113.8G170 S175G170-N172 PolarHBondContact O-N 3.22Å; N172-S175 WeakPolarHBondContact CA-OG 3.47Å
173G56Low62.8Low57 Ų57104.3 Ų104.359%0.58856%0.561SS**THydrogen-bonded Turntrans-75.3-43176.600000113.9G170G170-G173 PolarHBondContact O-N 2.83Å
174E51.1Low63Low141 Ų141105.9 Ų105.966%0.65957%0.568SS**THydrogen-bonded Turntrans-89.8-29.1-173-65.6170131.400112.8R176 A177 Q178E174-R176 VanDerWaalsContact C-N 3.29Å; E174-R176 PolarHBondContact O-N 2.88Å; E174-R176 VanDerWaalsContact O-N 3.15Å; E174-A177 PolarHBondContact O-N 3.34Å; E174-Q178 VanDerWaalsContact O-CB 3.24Å; E174-Q178 WeakPolarHBondContact O-CB 3.26Å; E174-Q178 PolarHBondContact O-N 3.28Å
175S51Low63.1Low56 Ų56104.9 Ų104.939%0.39257%0.566SS.*THydrogen-bonded Turntrans-69.8-15.1-166.1370000115.4P171 N172 T179P171-S175 PolarHBondContact O-OG 3.37Å; N172-S175 WeakPolarHBondContact CA-OG 3.47Å; S175-T179 VanDerWaalsContact O-CG2 3.29Å; S175-T179 WeakPolarHBondContact O-CG2 3.15Å; S175-T179 PolarHBondContact O-OG1 2.84Å; S175-T179 VanDerWaalsContact O-OG1 3.08Å
176R51.2Low63.5Low220 Ų220105.5 Ų105.583%0.8356%0.564SS**THydrogen-bonded Turntrans-91.3-29.6173.8-168.1173.6-178.6-179.8-0.2113.9E174 T179E174-R176 VanDerWaalsContact C-N 3.29Å; E174-R176 PolarHBondContact O-N 2.88Å; E174-R176 VanDerWaalsContact O-N 3.15Å; R176-T179 PolarHBondContact O-OG1 2.89Å
177A48.4Very low64.3Low68 Ų68108.7 Ų108.756%0.56257%0.569SS**THydrogen-bonded Turntrans-81.6-4417500000110.8E174 T179 V180 T181E174-A177 PolarHBondContact O-N 3.34Å; A177-T179 VanDerWaalsContact C-N 3.31Å; A177-T179 PolarHBondContact O-N 2.81Å; A177-V180 PolarHBondContact O-N 3.28Å; A177-T181 PolarHBondContact O-N 3.47Å
178Q53.6Low65.3Low123 Ų123107.3 Ų107.358%0.57556%0.561SS**Hα-helixtrans-70.3-22.3-175-161.7173.536.400113.7E174 V180 T181 S182E174-Q178 VanDerWaalsContact O-CB 3.24Å; E174-Q178 WeakPolarHBondContact O-CB 3.26Å; E174-Q178 PolarHBondContact O-N 3.28Å; Q178-V180 VanDerWaalsContact C-N 3.34Å; Q178-T181 WeakPolarHBondContact CA-OG1 3.48Å; Q178-T181 PolarHBondContact O-OG1 3.32Å; Q178-S182 WeakPolarHBondContact O-CB 3.26Å; Q178-S182 PolarHBondContact O-N 2.66Å
179T51.4Low66.6Low92 Ų92103 Ų10356%0.56455%0.553SS**Hα-helixtrans-67.8-32.6172.338.60000113.1S175 R176 A177 D183S175-T179 VanDerWaalsContact O-CG2 3.29Å; S175-T179 WeakPolarHBondContact O-CG2 3.15Å; S175-T179 PolarHBondContact O-OG1 2.84Å; S175-T179 VanDerWaalsContact O-OG1 3.08Å; R176-T179 PolarHBondContact O-OG1 2.89Å; A177-T179 VanDerWaalsContact C-N 3.31Å; A177-T179 PolarHBondContact O-N 2.81Å; T179-D183 PolarHBondContact O-N 2.78Å
180V53.8Low68.2Low105 Ų105103.1 Ų103.164%0.63655%0.546SS*.Hα-helixtrans-76.5-43178.9-177.50000110.2A177 Q178 D183 Q184A177-V180 PolarHBondContact O-N 3.28Å; Q178-V180 VanDerWaalsContact C-N 3.34Å; V180-D183 PolarHBondContact O-N 2.84Å; V180-Q184 PolarHBondContact O-N 3.33Å
181T59.1Low69.9Low62 Ų62107.5 Ų107.538%0.3856%0.56SS.*Hα-helixtrans-65.9-39.7175.264.40000111.7A177 Q178 D183 Q184 E185A177-T181 PolarHBondContact O-N 3.47Å; Q178-T181 WeakPolarHBondContact CA-OG1 3.48Å; Q178-T181 PolarHBondContact O-OG1 3.32Å; T181-D183 VanDerWaalsContact C-N 3.3Å; T181-D183 PolarHBondContact O-N 2.83Å; T181-Q184 WeakPolarHBondContact O-CB 3.27Å; T181-Q184 PolarHBondContact O-N 3Å; T181-E185 WeakPolarHBondContact O-CB 3.46Å; T181-E185 WeakPolarHBondContact O-CG 3.39Å; T181-E185 PolarHBondContact O-N 3.27Å
182S72.4Confident71.6Confident32 Ų32106.6 Ų106.622%0.22455%0.548CS..Hα-helixtrans-61.5-34179.3-174.40000113.4Q178 K186Q178-S182 WeakPolarHBondContact O-CB 3.26Å; Q178-S182 PolarHBondContact O-N 2.66Å; S182-K186 WeakPolarHBondContact O-CB 3.32Å; S182-K186 VanDerWaalsContact O-CD 3.29Å; S182-K186 WeakPolarHBondContact O-CD 3.27Å; S182-K186 WeakPolarHBondContact O-CG 3.33Å; S182-K186 PolarHBondContact O-N 2.88Å; S182-K186 WeakPolarHBondContact OG-CE 3.2Å; S182-K186 PolarHBondContact OG-NZ 3.21Å
183D79.5Confident73.6Confident68 Ų68108.2 Ų108.236%0.36454%0.544SS..Hα-helixtrans-74.4-38.3176-165.160.2000112T179 V180 T181 K186 R187T179-D183 PolarHBondContact O-N 2.78Å; V180-D183 PolarHBondContact O-N 2.84Å; T181-D183 VanDerWaalsContact C-N 3.3Å; T181-D183 PolarHBondContact O-N 2.83Å; D183-K186 PolarHBondContact O-N 2.85Å; D183-R187 VanDerWaalsContact O-CG 3.3Å; D183-R187 WeakPolarHBondContact O-CG 3.28Å; D183-R187 PolarHBondContact O-N 3.26Å; D183-R187 IonicContact OD2-CZ 3.17Å; D183-R187 IonicContact OD2-NE 2.67Å; D183-R187 PolarHBondContact OD2-NE 3.28Å; D183-R187 IonicContact OD2-NH2 2.7Å; D183-R187 PolarHBondContact OD2-NH2 2.94Å
184Q85.9Confident75.4Confident139 Ų139108.8 Ų108.865%0.6553%0.531SS*.Hα-helixtrans-61-44.9171.7-176.9179.4-4.300111.6V180 T181 R187 L188V180-Q184 PolarHBondContact O-N 3.33Å; T181-Q184 WeakPolarHBondContact O-CB 3.27Å; T181-Q184 PolarHBondContact O-N 3Å; Q184-R187 PolarHBondContact O-N 2.94Å; Q184-L188 WeakPolarHBondContact O-CB 3.47Å; Q184-L188 PolarHBondContact O-N 2.84Å
185E86Confident77.3Confident109 Ų109105.9 Ų105.951%0.50952%0.519SS..Hα-helixtrans-61.2-44.1174.4-73.6169-173.100111.9T181 R187 L188 L189T181-E185 WeakPolarHBondContact O-CB 3.46Å; T181-E185 WeakPolarHBondContact O-CG 3.39Å; T181-E185 PolarHBondContact O-N 3.27Å; E185-R187 PolarHBondContact O-N 3.33Å; E185-L188 PolarHBondContact O-N 2.87Å; E185-L189 WeakPolarHBondContact O-CB 3.15Å; E185-L189 VanDerWaalsContact O-CG 3.27Å; E185-L189 WeakPolarHBondContact O-CG 3.29Å; E185-L189 PolarHBondContact O-N 3.46Å
186K89.1Confident79.1Confident124 Ų124106.4 Ų106.454%0.53952%0.52SS..Hα-helixtrans-61.3-42.3175.9-76.9161.5-175146.90111.9S182 D183 H190S182-K186 WeakPolarHBondContact O-CB 3.32Å; S182-K186 VanDerWaalsContact O-CD 3.29Å; S182-K186 WeakPolarHBondContact O-CD 3.27Å; S182-K186 WeakPolarHBondContact O-CG 3.33Å; S182-K186 PolarHBondContact O-N 2.88Å; S182-K186 WeakPolarHBondContact OG-CE 3.2Å; S182-K186 PolarHBondContact OG-NZ 3.21Å; D183-K186 PolarHBondContact O-N 2.85Å; K186-H190 VanDerWaalsContact O-CB 3.3Å; K186-H190 WeakPolarHBondContact O-CB 3.28Å; K186-H190 PolarHBondContact O-N 3.5Å
187R92.4Very high80.9Confident170 Ų170100 Ų10064%0.64250%0.496SS*.Hα-helixtrans-63-45.4174.4-69.1172.9-162.3-139.27111.5D183 Q184 E185 H190 Q191D183-R187 VanDerWaalsContact O-CG 3.3Å; D183-R187 WeakPolarHBondContact O-CG 3.28Å; D183-R187 PolarHBondContact O-N 3.26Å; D183-R187 IonicContact OD2-CZ 3.17Å; D183-R187 IonicContact OD2-NE 2.67Å; D183-R187 PolarHBondContact OD2-NE 3.28Å; D183-R187 IonicContact OD2-NH2 2.7Å; D183-R187 PolarHBondContact OD2-NH2 2.94Å; Q184-R187 PolarHBondContact O-N 2.94Å; E185-R187 PolarHBondContact O-N 3.33Å; R187-H190 WeakPolarHBondContact O-CB 3.32Å; R187-H190 PolarHBondContact O-N 3.02Å; R187-Q191 WeakPolarHBondContact O-CB 3.23Å; R187-Q191 PolarHBondContact O-N 2.96Å
188L94.5Very high82.8Confident100 Ų100100.7 Ų100.752%0.52449%0.493SS..Hα-helixtrans-63.6-44.3178.4-174.467000112.1Q184 E185 H190 Q191 L192Q184-L188 WeakPolarHBondContact O-CB 3.47Å; Q184-L188 PolarHBondContact O-N 2.84Å; E185-L188 PolarHBondContact O-N 2.87Å; L188-H190 VanDerWaalsContact C-N 3.34Å; L188-Q191 PolarHBondContact O-N 3.48Å; L188-L192 HydrophobicContact CG-CD1 4.28Å; L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.9Å
189L94Very high84Confident110 Ų110101.7 Ų101.758%0.57650%0.5SS*.Hα-helixtrans-66.2-35.8175.4-71.4172.4000112.1E185 R193E185-L189 WeakPolarHBondContact O-CB 3.15Å; E185-L189 VanDerWaalsContact O-CG 3.27Å; E185-L189 WeakPolarHBondContact O-CG 3.29Å; E185-L189 PolarHBondContact O-N 3.46Å; L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.39Å; L189-R193 PolarHBondContact O-N 3.48Å
190H94.6Very high85.3Confident111 Ų111104.2 Ų104.251%0.51450%0.503SS..Hα-helixtrans-63.7-46.8171.3-167.8-71000110.6K186 R187 L188 R193 E194K186-H190 VanDerWaalsContact O-CB 3.3Å; K186-H190 WeakPolarHBondContact O-CB 3.28Å; K186-H190 PolarHBondContact O-N 3.5Å; R187-H190 WeakPolarHBondContact O-CB 3.32Å; R187-H190 PolarHBondContact O-N 3.02Å; L188-H190 VanDerWaalsContact C-N 3.34Å; H190-R193 CarbonylContact O-C 3.56Å; H190-R193 PolarHBondContact O-N 3.2Å; H190-E194 IonicContact CE1-OE2 2.8Å; H190-E194 PolarHBondContact CE1-OE2 2.87Å; H190-E194 VanDerWaalsContact CE1-OE2 3.3Å; H190-E194 IonicContact ND1-OE2 3.3Å; H190-E194 WeakPolarHBondContact O-CB 3.38Å; H190-E194 PolarHBondContact O-N 3.21Å
191Q94.8Very high86.2Confident116 Ų116104.3 Ų104.354%0.54250%0.496SS..Hα-helixtrans-63.1-41.8178.4-175.8176.7-20.900112.5R187 L188 R193 E194 I195R187-Q191 WeakPolarHBondContact O-CB 3.23Å; R187-Q191 PolarHBondContact O-N 2.96Å; L188-Q191 PolarHBondContact O-N 3.48Å; Q191-R193 VanDerWaalsContact C-N 3.35Å; Q191-R193 PolarHBondContact O-N 3.46Å; Q191-E194 WeakPolarHBondContact O-CB 3.31Å; Q191-E194 PolarHBondContact O-N 2.77Å; Q191-I195 HydrophobicContact CG-CD1 3.97Å; Q191-I195 WeakPolarHBondContact O-CB 3.46Å; Q191-I195 VanDerWaalsContact O-CG1 3.26Å; Q191-I195 WeakPolarHBondContact O-CG1 3.38Å; Q191-I195 PolarHBondContact O-N 3.43Å
192L93.1Very high86.4Confident92 Ų92102.6 Ų102.648%0.48249%0.491SS..Hα-helixtrans-65.6-36.7174.4-74.3168.5000112.3L188 T196L188-L192 HydrophobicContact CG-CD1 4.28Å; L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.9Å; L192-T196 VanDerWaalsContact O-CB 3.23Å; L192-T196 WeakPolarHBondContact O-CB 3.33Å; L192-T196 PolarHBondContact O-N 2.84Å; L192-T196 PolarHBondContact O-OG1 2.99Å
193R93.4Very high85.6Confident178 Ų178108.7 Ų108.767%0.67251%0.514SS*.Hα-helixtrans-70.1-36.9174-175.6178.6-66.11661111.8L189 H190 Q191 R197L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.39Å; L189-R193 PolarHBondContact O-N 3.48Å; H190-R193 CarbonylContact O-C 3.56Å; H190-R193 PolarHBondContact O-N 3.2Å; Q191-R193 VanDerWaalsContact C-N 3.35Å; Q191-R193 PolarHBondContact O-N 3.46Å; R193-R197 WeakPolarHBondContact O-CB 3.11Å; R193-R197 PolarHBondContact O-N 3.5Å
194E93.8Very high84.4Confident68 Ų68114.3 Ų114.332%0.31854%0.535SS..Hα-helixtrans-60.4-60172.3-161.268.3-134.900109.3H190 Q191 T196 R197 V198H190-E194 IonicContact CE1-OE2 2.8Å; H190-E194 PolarHBondContact CE1-OE2 2.87Å; H190-E194 VanDerWaalsContact CE1-OE2 3.3Å; H190-E194 IonicContact ND1-OE2 3.3Å; H190-E194 WeakPolarHBondContact O-CB 3.38Å; H190-E194 PolarHBondContact O-N 3.21Å; Q191-E194 WeakPolarHBondContact O-CB 3.31Å; Q191-E194 PolarHBondContact O-N 2.77Å; E194-T196 VanDerWaalsContact C-N 3.33Å; E194-T196 PolarHBondContact O-N 3.3Å; E194-R197 CarbonylContact O-C 3.02Å; E194-R197 WeakPolarHBondContact O-CA 3.2Å; E194-R197 WeakPolarHBondContact O-CB 3.42Å; E194-R197 PolarHBondContact O-N 3.01Å; E194-R197 IonicContact OE1-CZ 3.55Å; E194-R197 IonicContact OE1-NH1 3.55Å; E194-R197 PolarHBondContact OE1-NH1 3.43Å; E194-R197 IonicContact OE1-NH2 2.69Å; E194-R197 PolarHBondContact OE1-NH2 2.79Å; E194-R197 IonicContact OE2-CZ 3.81Å; E194-R197 IonicContact OE2-NH1 3.37Å; E194-R197 IonicContact OE2-NH2 3.44Å; E194-R197 PolarHBondContact OE2-NH2 3.45Å; E194-V198 HydrophobicContact CG-CG2 4.43Å; E194-V198 WeakPolarHBondContact O-CG2 3.34Å; E194-V198 PolarHBondContact O-N 3.3Å
195I90.8Very high82.7Confident81 Ų81114.7 Ų114.742%0.41554%0.54SS..Hα-helixtrans-53.8-47.7178.3-67.6163.3000111.1Q191 R197 V198 M199Q191-I195 HydrophobicContact CG-CD1 3.97Å; Q191-I195 WeakPolarHBondContact O-CB 3.46Å; Q191-I195 VanDerWaalsContact O-CG1 3.26Å; Q191-I195 WeakPolarHBondContact O-CG1 3.38Å; Q191-I195 PolarHBondContact O-N 3.43Å; I195-R197 PolarHBondContact O-N 3.15Å; I195-V198 PolarHBondContact O-N 3.23Å; I195-M199 HydrophobicContact CG2-CG 4.32Å; I195-M199 HydrophobicContact CG2-SD 3.96Å; I195-M199 WeakPolarHBondContact O-CB 3.24Å; I195-M199 VanDerWaalsContact O-CG 3.28Å; I195-M199 WeakPolarHBondContact O-CG 3.46Å; I195-M199 PolarHBondContact O-N 2.77Å
196T88.6Confident80.9Confident67 Ų67113 Ų11341%0.41154%0.535SS..Hα-helixtrans-60.5-32.9177-59.40000112.3L192 E194 K200L192-T196 VanDerWaalsContact O-CB 3.23Å; L192-T196 WeakPolarHBondContact O-CB 3.33Å; L192-T196 PolarHBondContact O-N 2.84Å; L192-T196 PolarHBondContact O-OG1 2.99Å; E194-T196 VanDerWaalsContact C-N 3.33Å; E194-T196 PolarHBondContact O-N 3.3Å; T196-K200 HydrophobicContact CG2-CD 4.29Å; T196-K200 WeakPolarHBondContact O-CB 3.33Å; T196-K200 WeakPolarHBondContact O-CD 3.24Å; T196-K200 VanDerWaalsContact O-CG 3.26Å; T196-K200 WeakPolarHBondContact O-CG 3.23Å; T196-K200 PolarHBondContact O-N 2.84Å
197R90.5Very high78.9Confident84 Ų84117.5 Ų117.532%0.31755%0.548SS..Hα-helixtrans-75.5-46.7175.5175.7159.435.169.35.8111.1R193 E194 I195 M199 K200 E201R193-R197 WeakPolarHBondContact O-CB 3.11Å; R193-R197 PolarHBondContact O-N 3.5Å; E194-R197 CarbonylContact O-C 3.02Å; E194-R197 WeakPolarHBondContact O-CA 3.2Å; E194-R197 WeakPolarHBondContact O-CB 3.42Å; E194-R197 PolarHBondContact O-N 3.01Å; E194-R197 IonicContact OE1-CZ 3.55Å; E194-R197 IonicContact OE1-NH1 3.55Å; E194-R197 PolarHBondContact OE1-NH1 3.43Å; E194-R197 IonicContact OE1-NH2 2.69Å; E194-R197 PolarHBondContact OE1-NH2 2.79Å; E194-R197 IonicContact OE2-CZ 3.81Å; E194-R197 IonicContact OE2-NH1 3.37Å; E194-R197 IonicContact OE2-NH2 3.44Å; E194-R197 PolarHBondContact OE2-NH2 3.45Å; I195-R197 PolarHBondContact O-N 3.15Å; R197-M199 VanDerWaalsContact C-N 3.26Å; R197-M199 PolarHBondContact O-N 3Å; R197-K200 CarbonylContact O-C 3.54Å; R197-K200 PolarHBondContact O-N 2.89Å; R197-E201 VanDerWaalsContact CD-OE1 3.24Å; R197-E201 WeakPolarHBondContact CD-OE1 3.32Å; R197-E201 HydrophobicContact CG-CG 4.16Å; R197-E201 WeakPolarHBondContact CG-OE1 3.5Å; R197-E201 WeakPolarHBondContact CG-OE2 3.32Å; R197-E201 WeakPolarHBondContact O-CB 3.26Å; R197-E201 WeakPolarHBondContact O-CG 3.47Å; R197-E201 PolarHBondContact O-N 3.45Å
198V87.8Confident76.7Confident84 Ų84117.2 Ų117.251%0.50955%0.552SS.*Hα-helixtrans-64.4-28.9174.8-147.10000112.3E194 I195 G202E194-V198 HydrophobicContact CG-CG2 4.43Å; E194-V198 WeakPolarHBondContact O-CG2 3.34Å; E194-V198 PolarHBondContact O-N 3.3Å; I195-V198 PolarHBondContact O-N 3.23Å; V198-G202 VanDerWaalsContact O-CA 3.23Å; V198-G202 WeakPolarHBondContact O-CA 3.1Å; V198-G202 PolarHBondContact O-N 2.86Å
199M77.9Confident74.3Confident144 Ų144114.9 Ų114.971%0.70954%0.544SS*.Hα-helixtrans-70.2-35.3170.9-74.4176.477.200112.7I195 R197I195-M199 HydrophobicContact CG2-CG 4.32Å; I195-M199 HydrophobicContact CG2-SD 3.96Å; I195-M199 WeakPolarHBondContact O-CB 3.24Å; I195-M199 VanDerWaalsContact O-CG 3.28Å; I195-M199 WeakPolarHBondContact O-CG 3.46Å; I195-M199 PolarHBondContact O-N 2.77Å; R197-M199 VanDerWaalsContact C-N 3.26Å; R197-M199 PolarHBondContact O-N 3Å
200K79.8Confident72.6Confident144 Ų144114.7 Ų114.763%0.62655%0.549SS*.Hα-helixtrans-78.6-34.5177.1-76.1172.7179-179.70112.6T196 R197 K203T196-K200 HydrophobicContact CG2-CD 4.29Å; T196-K200 WeakPolarHBondContact O-CB 3.33Å; T196-K200 WeakPolarHBondContact O-CD 3.24Å; T196-K200 VanDerWaalsContact O-CG 3.26Å; T196-K200 WeakPolarHBondContact O-CG 3.23Å; T196-K200 PolarHBondContact O-N 2.84Å; R197-K200 CarbonylContact O-C 3.54Å; R197-K200 PolarHBondContact O-N 2.89Å; K200-K203 WeakPolarHBondContact O-CB 3.21Å
201E73.1Confident70.5Confident107 Ų107117.5 Ų117.550%0.556%0.563SS.*Hα-helixtrans-86.6-33.4-179.9-69.5171.1-179.700111.7R197 K203 F204R197-E201 VanDerWaalsContact CD-OE1 3.24Å; R197-E201 WeakPolarHBondContact CD-OE1 3.32Å; R197-E201 HydrophobicContact CG-CG 4.16Å; R197-E201 WeakPolarHBondContact CG-OE1 3.5Å; R197-E201 WeakPolarHBondContact CG-OE2 3.32Å; R197-E201 WeakPolarHBondContact O-CB 3.26Å; R197-E201 WeakPolarHBondContact O-CG 3.47Å; R197-E201 PolarHBondContact O-N 3.45Å; E201-K203 PolarHBondContact O-N 2.86Å; E201-F204 WeakPolarHBondContact O-CB 3.41Å; E201-F204 PolarHBondContact O-N 3.34Å
202G62.3Low68.6Low26 Ų26118.5 Ų118.527%0.26857%0.565SS.*G310 helixtrans-61.4-20.9170.300000113.1V198 F204 I205 D206V198-G202 VanDerWaalsContact O-CA 3.23Å; V198-G202 WeakPolarHBondContact O-CA 3.1Å; V198-G202 PolarHBondContact O-N 2.86Å; G202-F204 PolarHBondContact O-N 3.15Å; G202-F204 VanDerWaalsContact O-N 3.1Å; G202-I205 PolarHBondContact O-N 3.36Å; G202-D206 PolarHBondContact O-N 3.31Å
203K56.8Low66.7Low161 Ų161121.4 Ų121.470%0.758%0.576SS**G310 helixtrans-64.2-5.1167.6-146.2-178.8-177.1-1760114.3K200 E201K200-K203 WeakPolarHBondContact O-CB 3.21Å; E201-K203 PolarHBondContact O-N 2.86Å
204F53.3Low64.9Low185 Ų185117.4 Ų117.481%0.81158%0.581SS**G310 helixtrans-104.7-10.6169.9-69-87.2000113.9E201 G202E201-F204 WeakPolarHBondContact O-CB 3.41Å; E201-F204 PolarHBondContact O-N 3.34Å; G202-F204 PolarHBondContact O-N 3.15Å; G202-F204 VanDerWaalsContact O-N 3.1Å
205I51.3Low63.2Low148 Ų148122.6 Ų122.676%0.75961%0.605SS**THydrogen-bonded Turntrans-89.7-17169.9-50173.5000110G202 R207G202-I205 PolarHBondContact O-N 3.36Å; I205-R207 PolarHBondContact O-N 2.89Å
206D46.8Very low61.7Low74 Ų74126.2 Ų126.240%0.39662%0.621SS.*  trans-64.171.2165.4-172.427.5000112.3G202 F208 S209G202-D206 PolarHBondContact O-N 3.31Å; D206-F208 PolarHBondContact O-N 2.69Å; D206-F208 VanDerWaalsContact OD1-O 3.08Å; D206-S209 WeakPolarHBondContact OD1-CA 3.26Å; D206-S209 PolarHBondContact OD1-N 2.98Å
207R47.8Very low60Low218 Ų218126.6 Ų126.682%0.82363%0.631SS**SBendtrans-75.3-7.9170.4-174165.9177.8169.8-0.5112.1I205I205-R207 PolarHBondContact O-N 2.89Å
208F45.9Very low58.7Low163 Ų163128.6 Ų128.672%0.71565%0.654SS**SBendtrans-138.879-178.9-62.2-75.9000109.9D206D206-F208 PolarHBondContact O-N 2.69Å; D206-F208 VanDerWaalsContact OD1-O 3.08Å
209S44.8Very low57.2Low52 Ų52133.3 Ų133.336%0.36466%0.664SS.*  trans-45.8125.8171.4175.80000109.5D206 E211 K212D206-S209 WeakPolarHBondContact OD1-CA 3.26Å; D206-S209 PolarHBondContact OD1-N 2.98Å; S209-E211 PolarHBondContact O-N 3.37Å; S209-K212 PolarHBondContact O-N 2.67Å
210P56.6Low56.1Low105 Ų105132.4 Ų132.468%0.68266%0.66SS**Hα-helixtrans-57.2-18.2-179.1-28.335.6000114.5K212P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 3.26Å
211E51.1Low55Low170 Ų170133.9 Ų133.979%0.79467%0.669SS**Hα-helixtrans-73.5-16.5175.9-160.6171.2-156.500112.9S209S209-E211 PolarHBondContact O-N 3.37Å
212K54.3Low54.5Low138 Ų138136 Ų13660%0.668%0.684SS**Hα-helixtrans-102.6-22.2-174.3-157179.6178.6-163.60114.7S209 P210 A214S209-K212 PolarHBondContact O-N 2.67Å; P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 3.26Å; K212-A214 VanDerWaalsContact C-N 3.34Å
213E54.2Low54.2Low153 Ų153143.4 Ų143.472%0.71570%0.704SS**Hα-helixtrans-70.1-33.4175.9-171172.7179.200111.7E215 E216E213-E215 VanDerWaalsContact C-N 3.26Å; E213-E215 PolarHBondContact O-N 2.88Å; E213-E216 PolarHBondContact O-N 2.98Å
214A56.4Low54.3Low93 Ų93145.5 Ų145.577%0.76972%0.716SS**THydrogen-bonded Turntrans-72.3-11.1179.500000114.9K212K212-A214 VanDerWaalsContact C-N 3.34Å
215E57.8Low54.7Low177 Ų177139.6 Ų139.683%0.82771%0.708SS**THydrogen-bonded Turntrans-105.3-6.6179.2-149.6177.4-151.300112.7E213E213-E215 VanDerWaalsContact C-N 3.26Å; E213-E215 PolarHBondContact O-N 2.88Å
216E59.1Low54.9Low158 Ų158141.8 Ų141.874%0.73871%0.708SS**SBendtrans-115.334.8-177.1-158.3166.5-162.800112.7E213E213-E216 PolarHBondContact O-N 2.98Å
217A52.7Low55.7Low75 Ų75142.7 Ų142.762%0.6272%0.717SS**SBendtrans-109.3118.216500000109.7Y219A217-Y219 PolarHBondContact O-N 3.3Å
218P62.1Low56.3Low125 Ų125141.2 Ų141.281%0.81272%0.72SS**  trans-59.599.7164.2-22.434.4000109.7
219Y57.8Low57.1Low183 Ų183141.8 Ų141.872%0.71873%0.725SS**  trans-65140.4162.3-168.3-95.2000107.6A217A217-Y219 PolarHBondContact O-N 3.3Å
220M54.4Low57.9Low126 Ų126145.2 Ų145.262%0.62174%0.743SS**SBendtrans82.988.7-167.9-45.9-57.9-64.200115.1
221E57.4Low58.1Low174 Ų174150 Ų15081%0.81375%0.75SS**SBendtrans-174.1-40133.5-122.784.7-104.300111
222D60.5Low58.8Low152 Ų152145.7 Ų145.781%0.81374%0.736SS**THydrogen-bonded Turntrans-94.43.4-162-61.2-11.8000116.6E224D222-E224 VanDerWaalsContact C-N 3.3Å; D222-E224 PolarHBondContact O-N 2.93Å
223W57.3Low59.3Low182 Ų182146.9 Ų146.969%0.68975%0.747SS**THydrogen-bonded Turntrans-78-8.7-173.3-71.2104.7000114.9G225W223-G225 PolarHBondContact O-N 2.8Å; W223-G225 VanDerWaalsContact O-N 3.12Å
224E59.4Low59.7Low204 Ų204148.2 Ų148.295%0.95375%0.747SS**THydrogen-bonded Turntrans-88.438.8-173.8-151.2168.7-117.200112.8D222D222-E224 VanDerWaalsContact C-N 3.3Å; D222-E224 PolarHBondContact O-N 2.93Å
225G61.8Low60.1Low62 Ų62149 Ų14964%0.63974%0.738SS**THydrogen-bonded Turntrans-144.17.1-169.700000116.6W223W223-G225 PolarHBondContact O-N 2.8Å; W223-G225 VanDerWaalsContact O-N 3.12Å
226Y55.3Low60.3Low194 Ų194147 Ų14776%0.76173%0.732SS**PPolyproline II helixtrans-79.4130.1169.9-98-94.2000110.2E228Y226-E228 PolarHBondContact O-N 3.25Å; Y226-E228 VanDerWaalsContact O-N 3.13Å
227P63.8Low60.4Low92 Ų92142.5 Ų142.560%0.59772%0.719SS**PPolyproline II helixtrans-64.711616727.2-31.6000108.6E229P227-E229 PolarHBondContact O-N 2.79Å
228E60.1Low60.5Low188 Ų188146.4 Ų146.488%0.87972%0.724SS**SBendtrans-53.4139.3155.2-71.5179.2125.400107.7Y226Y226-E228 PolarHBondContact O-N 3.25Å; Y226-E228 VanDerWaalsContact O-N 3.13Å
229E62.8Low60Low174 Ų174145.3 Ų145.381%0.81372%0.718SS**  trans76.670.7-175.6-48.8-175.5-163.400116.3P227P227-E229 PolarHBondContact O-N 2.79Å
230T62Low59.7Low124 Ų124143.4 Ų143.476%0.76172%0.719SS**  trans-116.353143.6-51.80000110.1
231Y60.1Low59.7Low207 Ų207146.4 Ų146.481%0.81273%0.729SS**SBendtrans-91.6126159.9-81.5-83.5000108.3I233Y231-I233 PolarHBondContact O-N 2.69Å; Y231-I233 VanDerWaalsContact O-N 3.15Å
232P66.3Low59.5Low78 Ų78148.7 Ų148.751%0.50673%0.73SS.*  trans-60.9119.6170.922.8-30.5000109.6Y234P232-Y234 HydrophobicContact CB-CE2 4.17Å; P232-Y234 HydrophobicContact CG-CD2 4.5Å; P232-Y234 HydrophobicContact CG-CE2 3.65Å; P232-Y234 VanDerWaalsContact O-CD2 3.25Å; P232-Y234 WeakPolarHBondContact O-CD2 3.28Å; P232-Y234 PolarHBondContact O-N 2.98Å
233I64.9Low58.9Low163 Ų163151.1 Ų151.184%0.83673%0.727SS**  trans-73.196.1175.3-56.4174.6000107.5Y231 D235Y231-I233 PolarHBondContact O-N 2.69Å; Y231-I233 VanDerWaalsContact O-N 3.15Å; I233-D235 PolarHBondContact O-N 3.49Å
234Y60.9Low58.7Low181 Ų181151.4 Ų151.471%0.7174%0.736SS**  trans-74.3117.3173.7-64.1-76.2000109.9P232 L236P232-Y234 HydrophobicContact CB-CE2 4.17Å; P232-Y234 HydrophobicContact CG-CD2 4.5Å; P232-Y234 HydrophobicContact CG-CE2 3.65Å; P232-Y234 VanDerWaalsContact O-CD2 3.25Å; P232-Y234 WeakPolarHBondContact O-CD2 3.28Å; P232-Y234 PolarHBondContact O-N 2.98Å; Y234-L236 WeakPolarHBondContact O-CD1 3.42Å; Y234-L236 PolarHBondContact O-N 3.42Å; Y234-L236 VanDerWaalsContact O-N 3.09Å
235D66.4Low58.4Low109 Ų109148.2 Ų148.258%0.58372%0.722SS**  trans-70.2103.6172.6-171.3-16.9000109.8I233 S237I233-D235 PolarHBondContact O-N 3.49Å; D235-S237 VanDerWaalsContact CG-OG 3.25Å; D235-S237 PolarHBondContact O-N 2.87Å; D235-S237 VanDerWaalsContact O-N 3.12Å; D235-S237 WeakPolarHBondContact OD1-CB 3.37Å; D235-S237 PolarHBondContact OD1-N 3.35Å; D235-S237 PolarHBondContact OD1-OG 2.82Å; D235-S237 PolarHBondContact OD2-OG 3.36Å
236L60.3Low58Low135 Ų135150.9 Ų150.971%0.70773%0.726SS**THydrogen-bonded Turntrans-68.4-4.7179.9-68.4110.1000113.4Y234 I240Y234-L236 WeakPolarHBondContact O-CD1 3.42Å; Y234-L236 PolarHBondContact O-N 3.42Å; Y234-L236 VanDerWaalsContact O-N 3.09Å; L236-I240 WeakPolarHBondContact O-CD1 3.08Å
237S62Low58.1Low65 Ų65149.1 Ų149.146%0.45573%0.728SS.*THydrogen-bonded Turntrans-79.3-21-174.5750000115D235D235-S237 VanDerWaalsContact CG-OG 3.25Å; D235-S237 PolarHBondContact O-N 2.87Å; D235-S237 VanDerWaalsContact O-N 3.12Å; D235-S237 WeakPolarHBondContact OD1-CB 3.37Å; D235-S237 PolarHBondContact OD1-N 3.35Å; D235-S237 PolarHBondContact OD1-OG 2.82Å; D235-S237 PolarHBondContact OD2-OG 3.36Å
238E55.8Low57.8Low157 Ų157151.6 Ų151.673%0.73474%0.735SS**THydrogen-bonded Turntrans-81.2-28.4178.2-65.5-154144.300113.4I240E238-I240 PolarHBondContact O-N 3.33Å
239C49.8Very low57.7Low101 Ų101148.3 Ų148.368%0.68273%0.728SS**G310 helixtrans-67.7-35-178.7-55.20000112.8K241C239-K241 VanDerWaalsContact C-N 3.26Å; C239-K241 PolarHBondContact O-N 2.85Å
240I52.3Low57.4Low143 Ų143146.9 Ų146.973%0.73373%0.726SS**G310 helixtrans-73.3-17.2-168.5-60.7169.5000112.4L236 E238L236-I240 WeakPolarHBondContact O-CD1 3.08Å; E238-I240 PolarHBondContact O-N 3.33Å
241K54.3Low57.1Low190 Ų190150.3 Ų150.383%0.82673%0.726SS**G310 helixtrans-89-15.8-176.9-72.1178.8-178.3167.70114.8C239C239-K241 VanDerWaalsContact C-N 3.26Å; C239-K241 PolarHBondContact O-N 2.85Å
242R53.3Low57.1Low222 Ų222144.4 Ų144.484%0.83871%0.713SS**SBendtrans-91.7107.2168.2-65.6-168.3-154.9135.511.1108.1
243R48.3Very low56.9Low202 Ų202144.7 Ų144.776%0.76271%0.711SS**  trans6.1129.6166.8-82.7179.8167.2-171.2-3.1116.6E245R243-E245 HydrophobicContact CB-CG 4.32Å; R243-E245 VanDerWaalsContact CD-OE1 3.27Å; R243-E245 WeakPolarHBondContact CD-OE1 3.4Å; R243-E245 IonicContact CZ-OE1 3.95Å; R243-E245 IonicContact NH1-OE1 3Å; R243-E245 PolarHBondContact NH1-OE1 2.94Å; R243-E245 PolarHBondContact O-N 3.44Å
244Q53.3Low56.7Low188 Ų188142.9 Ų142.988%0.87971%0.709SS**  trans-59.781.1150.8-67.3170.3-20.400110.1T246Q244-T246 PolarHBondContact O-N 3.04Å
245E52.3Low56.6Low137 Ų137142.5 Ų142.564%0.6471%0.711SS**  trans-84.877155.4-80.7166.9-160.400106R243 I247R243-E245 HydrophobicContact CB-CG 4.32Å; R243-E245 VanDerWaalsContact CD-OE1 3.27Å; R243-E245 WeakPolarHBondContact CD-OE1 3.4Å; R243-E245 IonicContact CZ-OE1 3.95Å; R243-E245 IonicContact NH1-OE1 3Å; R243-E245 PolarHBondContact NH1-OE1 2.94Å; R243-E245 PolarHBondContact O-N 3.44Å; E245-I247 PolarHBondContact O-N 3.02Å
246T53.8Low56.4Low119 Ų119144.2 Ų144.273%0.7372%0.716SS**  trans-55.6110.9161.945.60000106.7Q244 L248Q244-T246 PolarHBondContact O-N 3.04Å; T246-L248 VanDerWaalsContact C-N 3.34Å; T246-L248 PolarHBondContact O-N 3.32Å
247I57.7Low56.5Low156 Ų156142.3 Ų142.380%0.871%0.706SS**  trans-59.4103.4172.1-58.7171.1000105.9E245 V249E245-I247 PolarHBondContact O-N 3.02Å; I247-V249 PolarHBondContact O-N 3.05Å
248L56.4Low56.9Low144 Ų144142.1 Ų142.175%0.75470%0.704SS**  trans-67.1103169.9-175.368.3000105.3T246 D250T246-L248 VanDerWaalsContact C-N 3.34Å; T246-L248 PolarHBondContact O-N 3.32Å; L248-D250 VanDerWaalsContact C-N 3.33Å; L248-D250 PolarHBondContact O-N 2.78Å
249V58Low57.7Low120 Ų120138.8 Ų138.873%0.72770%0.704SS**  trans-65.2104.7166.4175.70000105I247 Y251I247-V249 PolarHBondContact O-N 3.05Å; V249-Y251 PolarHBondContact O-N 2.73Å
250D58Low58.7Low143 Ų143140.6 Ų140.677%0.76570%0.702SS**  trans-63.8106.4-177.9-139.94.4000107.4L248L248-D250 VanDerWaalsContact C-N 3.33Å; L248-D250 PolarHBondContact O-N 2.78Å
251Y54Low59.6Low196 Ų196138.9 Ų138.977%0.76969%0.691SS**PPolyproline II helixtrans-84.5119.8179.2-164.6-83.4000105.9V249 D253V249-Y251 PolarHBondContact O-N 2.73Å; Y251-D253 PolarHBondContact O-N 3.02Å
252P61.9Low60.5Low83 Ų83133.2 Ų133.254%0.53967%0.673SS.*PPolyproline II helixtrans-55.2137.5-17621.4-32000110.3
253D60.9Low61.5Low85 Ų85125.8 Ų125.846%0.45566%0.659SS.*PPolyproline II helixtrans-53.7128.8-178.2-177.3-3.3000108Y251 K255 E256Y251-D253 PolarHBondContact O-N 3.02Å; D253-K255 PolarHBondContact O-N 3.2Å; D253-E256 PolarHBondContact O-N 3.3Å
254P60.4Low62.7Low125 Ų125122.6 Ų122.681%0.81265%0.652SS**THydrogen-bonded Turntrans-61.818.5178.924.7-36.9000115.7
255K59.9Low63.6Low173 Ų173121.4 Ų121.475%0.75264%0.64SS**THydrogen-bonded Turntrans-114.5-12.6171.5-63171.6-173.31620113.4D253D253-K255 PolarHBondContact O-N 3.2Å
256E61.4Low63.9Low144 Ų144121.4 Ų121.467%0.67364%0.641SS**SBendtrans-76.8124.5170.8-69.1-166.1146.500109.2D253 S258D253-E256 PolarHBondContact O-N 3.3Å; E256-S258 PolarHBondContact O-N 3.49Å
257L61.8Low64Low96 Ų96118.1 Ų118.150%0.50363%0.631SS.*PPolyproline II helixtrans-60.6133.1179.6-70.7163.4000109.7E261L257-E261 VanDerWaalsContact CD2-CD 3.41Å; L257-E261 HydrophobicContact CD2-CG 4.04Å; L257-E261 WeakPolarHBondContact CD2-OE1 3.34Å
258S71.5Confident63.9Low60 Ų60114.4 Ų114.442%0.4262%0.616SS.*PPolyproline II helixtrans-58.4148.2174.9179.80000110.3E256 E260 E261 T262E256-S258 PolarHBondContact O-N 3.49Å; S258-E260 PolarHBondContact O-N 3.13Å; S258-E260 VanDerWaalsContact O-N 3.14Å; S258-E260 PolarHBondContact OG-N 3.19Å; S258-E261 PolarHBondContact O-N 3.18Å; S258-T262 PolarHBondContact O-N 3.41Å; S258-T262 PolarHBondContact O-OG1 2.76Å
259A73.1Confident63.6Low87 Ų87111.7 Ų111.772%0.71960%0.601SS**Hα-helixtrans-57-28.1172.200000112A263A259-A263 PolarHBondContact O-N 3.44Å
260E69.8Low63.4Low140 Ų140114.3 Ų114.365%0.65461%0.605SS**Hα-helixtrans-67.6-50.4172.4-173.7170.5-159.300111.9S258 T262 A263 E264S258-E260 PolarHBondContact O-N 3.13Å; S258-E260 VanDerWaalsContact O-N 3.14Å; S258-E260 PolarHBondContact OG-N 3.19Å; E260-T262 VanDerWaalsContact C-N 3.28Å; E260-T262 PolarHBondContact O-N 3.24Å; E260-A263 WeakPolarHBondContact O-CB 3.45Å; E260-A263 PolarHBondContact O-N 2.78Å; E260-A263 VanDerWaalsContact O-N 3.07Å; E260-E264 PolarHBondContact O-N 3.23Å
261E71.8Confident63.2Low106 Ų106115.9 Ų115.950%0.49561%0.608SS.*Hα-helixtrans-66.3-30.5-179.9-164.6176.2177.600112.3L257 S258 R265L257-E261 VanDerWaalsContact CD2-CD 3.41Å; L257-E261 HydrophobicContact CD2-CG 4.04Å; L257-E261 WeakPolarHBondContact CD2-OE1 3.34Å; S258-E261 PolarHBondContact O-N 3.18Å; E261-R265 PolarHBondContact O-N 2.9Å; E261-R265 VanDerWaalsContact O-N 3.09Å
262T72.1Confident63.1Low72 Ų72114 Ų11444%0.44261%0.606SS.*Hα-helixtrans-68.6-38.4172.5-52.60000111.6S258 E260 M266S258-T262 PolarHBondContact O-N 3.41Å; S258-T262 PolarHBondContact O-OG1 2.76Å; E260-T262 VanDerWaalsContact C-N 3.28Å; E260-T262 PolarHBondContact O-N 3.24Å; T262-M266 PolarHBondContact O-N 2.94Å
263A75.4Confident62.3Low66 Ų66118.5 Ų118.555%0.54562%0.62SS.*Hα-helixtrans-69.6-39.4175.900000112A259 E260 M266 G267A259-A263 PolarHBondContact O-N 3.44Å; E260-A263 WeakPolarHBondContact O-CB 3.45Å; E260-A263 PolarHBondContact O-N 2.78Å; E260-A263 VanDerWaalsContact O-N 3.07Å; A263-M266 PolarHBondContact O-N 2.98Å; A263-G267 PolarHBondContact O-N 3.2Å
264E73.4Confident61.7Low134 Ų134119.4 Ų119.463%0.62663%0.633SS**Hα-helixtrans-62.4-43.9174.3-68.5-166151.100111.8E260 M266 G267 V268E260-E264 PolarHBondContact O-N 3.23Å; E264-M266 VanDerWaalsContact C-N 3.34Å; E264-M266 PolarHBondContact O-N 3.12Å; E264-G267 PolarHBondContact O-N 3.02Å; E264-V268 WeakPolarHBondContact O-CG2 3.4Å; E264-V268 PolarHBondContact O-N 3.48Å
265R72.3Confident60.9Low164 Ų164119.7 Ų119.762%0.61963%0.628SS**Hα-helixtrans-58.3-43.5175.1175.3178.5-73-91.10.1112.5E261 G267 V268 I269E261-R265 PolarHBondContact O-N 2.9Å; E261-R265 VanDerWaalsContact O-N 3.09Å; R265-G267 VanDerWaalsContact C-N 3.28Å; R265-G267 PolarHBondContact O-N 3.08Å; R265-V268 PolarHBondContact O-N 3.39Å; R265-I269 HydrophobicContact CG-CD1 3.87Å; R265-I269 WeakPolarHBondContact O-CG1 3.39Å; R265-I269 PolarHBondContact O-N 3.06Å
266M58.6Low59.7Low136 Ų136119.8 Ų119.867%0.6763%0.631SS**Hα-helixtrans-70.2-25.7-176.6-163.1136.3-108.700112.6T262 A263 E264T262-M266 PolarHBondContact O-N 2.94Å; A263-M266 PolarHBondContact O-N 2.98Å; E264-M266 VanDerWaalsContact C-N 3.34Å; E264-M266 PolarHBondContact O-N 3.12Å
267G56.7Low58.7Low50 Ų50121.8 Ų121.852%0.51565%0.645SS.*Hα-helixtrans-75.5-22.8171.800000115.1A263 E264 R265A263-G267 PolarHBondContact O-N 3.2Å; E264-G267 PolarHBondContact O-N 3.02Å; R265-G267 VanDerWaalsContact C-N 3.28Å; R265-G267 PolarHBondContact O-N 3.08Å
268V54Low57.1Low78 Ų78120.4 Ų120.447%0.47365%0.654SS.*Hα-helixtrans-88.5-33.2-178.4174.40000112.5E264 R265 E270 E271 E272E264-V268 WeakPolarHBondContact O-CG2 3.4Å; E264-V268 PolarHBondContact O-N 3.48Å; R265-V268 PolarHBondContact O-N 3.39Å; V268-E270 PolarHBondContact O-N 3.1Å; V268-E271 PolarHBondContact O-N 2.78Å; V268-E272 PolarHBondContact O-N 2.9Å
269I51.4Low55.3Low88 Ų88129.3 Ų129.345%0.45168%0.678SS.*Hα-helixtrans-62.7-31.4-179.5-67.2168.1000111.7R265 E271R265-I269 HydrophobicContact CG-CD1 3.87Å; R265-I269 WeakPolarHBondContact O-CG1 3.39Å; R265-I269 PolarHBondContact O-N 3.06Å; I269-E271 VanDerWaalsContact C-N 3.29Å; I269-E271 PolarHBondContact O-N 2.99Å
270E53.9Low53.5Low175 Ų175133.2 Ų133.282%0.81868%0.681SS**Hα-helixtrans-72.6-13.2176.4-63.8-168167.500114.4V268V268-E270 PolarHBondContact O-N 3.1Å
271E53.3Low51.7Low176 Ų176132.6 Ų132.682%0.82269%0.693SS**Hα-helixtrans-103.1-21.1175.9-84.7-166.5148.600114.6V268 I269V268-E271 PolarHBondContact O-N 2.78Å; I269-E271 VanDerWaalsContact C-N 3.29Å; I269-E271 PolarHBondContact O-N 2.99Å
272E52.3Low50Low155 Ų155135.5 Ų135.572%0.72471%0.711SS**Hα-helixtrans-100.6-5.6-177-74-162.8142.400116.2V268 S274V268-E272 PolarHBondContact O-N 2.9Å; E272-S274 PolarHBondContact O-N 3.18Å; E272-S274 VanDerWaalsContact O-N 3.17Å
273E44.3Very low48.8Very low178 Ų178137.6 Ų137.683%0.83273%0.725SS**THydrogen-bonded Turntrans-80.114.6178.5-152.1178.6164.700114.7
274S48.2Very low46.6Very low105 Ų105141.4 Ų141.473%0.73474%0.742SS**THydrogen-bonded Turntrans-100.8-6-179.6-167.30000115.7E272E272-S274 PolarHBondContact O-N 3.18Å; E272-S274 VanDerWaalsContact O-N 3.17Å
275D42.8Very low44.6Very low130 Ų130141.9 Ų141.970%0.69575%0.749SS**SBendtrans-146.7149.4179.4-97.8-51000113.1
276H34.9Very low44Very low175 Ų175138.5 Ų138.581%0.8175%0.748SS**  trans86.869.1172.4-42.3-37000118.8
277L41.3Very low42.5Very low187 Ų187144 Ų14498%0.97976%0.762SS**  trans-61.9131.4148.2-68.2167.1000110.4
278G27.8Very low41.3Very low66 Ų66145.7 Ų145.768%0.6877%0.771SS**  trans-176.675.1179.900000119.7
279W34.4Very low40.1Very low248 Ų248149.7 Ų149.794%0.93979%0.785SS**  trans76.1149.6154.5-71.5-57.2000123
280E34.5Very low39.1Very low168 Ų168152.9 Ų152.979%0.78580%0.798SS**  trans-81157.4-174.1-57.7126.2108.200114.7
281S31.5Very low38Very low127 Ų127151.4 Ų151.489%0.88880%0.795SS**  trans-157.4147.1133-830000112.1
282L37.3Very low36.9Very low167 Ų167149.9 Ų149.987%0.87479%0.793SS**  trans-75.8163.7-167.2-82.4162.2000115
283P47.5Very low35.9Very low116 Ų116147.9 Ų147.975%0.75380%0.796SS**  trans-80.2162.5-173.734.2-37.2000113.6
284T28.7Very low35.2Very low146 Ų146145.5 Ų145.590%0.89679%0.793SS**  trans-134.5127.2165.8-62.80000109.6
285D31.1Very low34.4Very low144 Ų144146.3 Ų146.377%0.7779%0.794SS**  trans-118.3-170-176.6-168.736.5000109.2
286P59.3Low33.9Very low93 Ų93145.7 Ų145.760%0.60480%0.8SS**  -101.9171.6-92.633.8-20.2000114
287R27Very low33.8Very low251 Ų251143.1 Ų143.195%0.94780%0.8SS**  trans156.7154.2150.5-92.1167.6-159.3-127.56.4109.2
288A31.8Very low33.8Very low86 Ų86140.9 Ų140.971%0.71179%0.789SS**  cis-151.8160.9-1600000104.9
289Q29.4Very low34.5Very low163 Ų163143.1 Ų143.176%0.76279%0.792SS**  172.2123.980.1-165.7176.2-52.500103.3
290E30.8Very low35.1Very low155 Ų155139.8 Ų139.872%0.72478%0.784SS**  46.5116.390.6-57.6173.2177.900110.6
291D30.4Very low35.6Very low144 Ų144137.4 Ų137.477%0.7778%0.783SS**  -149.7163.550.8-86.5-55.2000115.7
292N29.6Very low36Very low144 Ų144140.4 Ų140.477%0.7778%0.783SS**  trans-114.6136.9-179.5-3.2-101.6000110.5
293S31.3Very low36.2Very low113 Ų113139.2 Ų139.279%0.7978%0.783SS**  trans-169.8124.615148.90000116.5
294V30.6Very low35.6Very low128 Ų128138.7 Ų138.778%0.77678%0.781SS**  trans81.396.5130.3177.90000120
295T31Very low36.5Very low121 Ų121136.9 Ų136.974%0.74277%0.774SS**  66.8116.6120.8-52.40000121.3
296S31.8Very low36.9Very low118 Ų118134.9 Ų134.983%0.82577%0.77SS**  -167.1172.8108.950.90000111.7
297C32.3Very low35.9Very low120 Ų120136.5 Ų136.581%0.81178%0.782SS**  trans-94.9153.4-150.1-55.10000116.4
298D40.8Very low36.5Very low141 Ų141134 Ų13475%0.75478%0.779SS**  trans-67.8135.8168.6172.138000113.3
299P43.9Very low37.1Very low113 Ų113138.3 Ų138.373%0.73478%0.783SS**  trans-108.7100.4159.634.8-22.6000111.7
300K46.5Very low38.2Very low178 Ų178138.4 Ų138.477%0.77478%0.784SS**PPolyproline II helixtrans-48.7122.4168.7-172.3-175.1-163.469.60112.4
301P44.4Very low39Very low117 Ų117138.8 Ų138.876%0.7679%0.791SS**PPolyproline II helixtrans-76.4140.6171.829.6-32.7000111.8
302E40.8Very low40.4Very low191 Ų191138.3 Ų138.389%0.89378%0.784SS**PPolyproline II helixtrans-78.9150.4-176.1-61.2176.9144.100112.5C304E302-C304 PolarHBondContact O-N 3.19Å
303T40.8Very low42Very low142 Ų142136 Ų13687%0.87177%0.771SS**  trans-76.1113.2-174.6-470000112
304C36Very low43.5Very low105 Ų105135.4 Ų135.471%0.70977%0.765SS**  trans-79.9125.7172.6-1720000111E302 C306E302-C304 PolarHBondContact O-N 3.19Å; C304-C306 VanDerWaalsContact C-N 3.31Å; C304-C306 PolarHBondContact O-N 3.12Å; C304-C306 VanDerWaalsContact O-N 3.1Å
305S46.5Very low44.8Very low108 Ų108132.1 Ų132.176%0.75575%0.752SS**THydrogen-bonded Turntrans-87.638.5-166.274.80000115.4
306C39.8Very low46.1Very low101 Ų101129.3 Ų129.368%0.68273%0.734SS**THydrogen-bonded Turntrans-115.43.2-172.9-68.80000115.5C304 F308C304-C306 VanDerWaalsContact C-N 3.31Å; C304-C306 PolarHBondContact O-N 3.12Å; C304-C306 VanDerWaalsContact O-N 3.1Å; C306-F308 PolarHBondContact O-N 2.8Å
307C39.2Very low47.3Very low127 Ų127128.5 Ų128.586%0.85872%0.72SS**  trans-92.794.8175.8-60.20000110.7
308F39.2Very low48.7Very low200 Ų200126.4 Ų126.488%0.87771%0.711SS**  trans-88.5116.7168-82.8-83.6000110.4C306C306-F308 PolarHBondContact O-N 2.8Å
309H43.7Very low49.4Very low176 Ų176127.3 Ų127.382%0.81571%0.711SS**  trans40.1127.5161-120.914.3000121.1D311H309-D311 PolarHBondContact O-N 3.43Å
310E53.1Low49.6Very low165 Ų165127.9 Ų127.977%0.77171%0.708SS**  trans-70.5117.3161.3-64.5137.9122.700110.3E312E310-E312 PolarHBondContact O-N 3.1Å
311D48Very low50.1Low162 Ų162123 Ų12387%0.86670%0.7SS**  trans-84.698.8157-80.7-44.5000107.2H309 D313H309-D311 PolarHBondContact O-N 3.43Å; D311-D313 PolarHBondContact O-N 3.12Å
312E59.4Low49.8Very low134 Ų134120.1 Ų120.163%0.62669%0.692SS**  trans-65.3130178.7-69.7-156113.800111.8E310E310-E312 PolarHBondContact O-N 3.1Å
313D63.8Low49.6Very low95 Ų95121.4 Ų121.451%0.50870%0.695SS.*  trans-64.7124.9176.8-177.9-19.3000109.9D311 A315 V316D311-D313 PolarHBondContact O-N 3.12Å; D313-A315 PolarHBondContact O-N 3.22Å; D313-A315 VanDerWaalsContact OD1-CB 3.31Å; D313-A315 WeakPolarHBondContact OD1-CB 3.46Å; D313-A315 PolarHBondContact OD1-N 3.07Å; D313-V316 HydrophobicContact CB-CG2 4.2Å; D313-V316 PolarHBondContact O-N 2.88Å
314P61.5Low49.6Very low102 Ų102122.3 Ų122.366%0.66270%0.695SS**Hα-helixtrans-58.8-15.3179.424.6-35.5000114.3
315A58.4Low50.1Low59 Ų59121.2 Ų121.249%0.48869%0.693SS.*Hα-helixtrans-63.8-37.8169.500000112.8D313 A318 E319D313-A315 PolarHBondContact O-N 3.22Å; D313-A315 VanDerWaalsContact OD1-CB 3.31Å; D313-A315 WeakPolarHBondContact OD1-CB 3.46Å; D313-A315 PolarHBondContact OD1-N 3.07Å; A315-A318 PolarHBondContact O-N 3.46Å; A315-E319 PolarHBondContact O-N 3.48Å
316V59Low49.6Very low61 Ų61124.1 Ų124.137%0.3770%0.7SS.*Hα-helixtrans-72.2-32.2-176.7-174.70000111.4D313 A318 E319 N320D313-V316 HydrophobicContact CB-CG2 4.2Å; D313-V316 PolarHBondContact O-N 2.88Å; V316-A318 VanDerWaalsContact C-N 3.32Å; V316-A318 PolarHBondContact O-N 2.95Å; V316-E319 PolarHBondContact O-N 3.42Å; V316-N320 PolarHBondContact O-N 3.29Å; V316-N320 PolarHBondContact O-ND2 3.36Å
317L56.5Low49.6Very low102 Ų102124.4 Ų124.453%0.53470%0.703SS.*Hα-helixtrans-67.6-31.3174.1-64.3177.2000112.7A321L317-A321 PolarHBondContact O-N 2.83Å
318A60.7Low49.2Very low75 Ų75128.3 Ų128.362%0.6270%0.701SS**Hα-helixtrans-73.9-31.9176.900000112.6A315 V316A315-A318 PolarHBondContact O-N 3.46Å; V316-A318 VanDerWaalsContact C-N 3.32Å; V316-A318 PolarHBondContact O-N 2.95Å
319E56.3Low49.2Very low161 Ų161125.1 Ų125.175%0.75269%0.693SS**Hα-helixtrans-71.3-41.2175.9-172.9176.315100112A315 V316 A321A315-E319 PolarHBondContact O-N 3.48Å; V316-E319 PolarHBondContact O-N 3.42Å; E319-A321 VanDerWaalsContact C-N 3.28Å; E319-A321 PolarHBondContact O-N 2.89Å
320N48.6Very low48.8Very low125 Ų125125.9 Ų125.967%0.66870%0.697SS**Hα-helixtrans-78.3-7.9179.9-73.6-81.4000114V316 G322V316-N320 PolarHBondContact O-N 3.29Å; V316-N320 PolarHBondContact O-ND2 3.36Å; N320-G322 PolarHBondContact O-N 3.34Å
321A55.9Low47.9Very low75 Ų75125.9 Ų125.962%0.6270%0.697SS**  trans-74.444.8169.700000112.4L317 E319L317-A321 PolarHBondContact O-N 2.83Å; E319-A321 VanDerWaalsContact C-N 3.28Å; E319-A321 PolarHBondContact O-N 2.89Å
322G38.3Very low47.2Very low57 Ų57126.2 Ų126.259%0.58869%0.693SS**  trans-61.3134.1171.700000110.8N320 N324N320-G322 PolarHBondContact O-N 3.34Å; G322-N324 PolarHBondContact O-N 3Å
323F37.6Very low45.8Very low218 Ų218127 Ų12796%0.95670%0.697SS**  trans-67.691.9-178.9-131.8-92.3000110.1
324N40.2Very low44.2Very low161 Ų161128 Ų12886%0.86171%0.706SS**  trans-79.6128.7172.6-138.5-34.9000108.7G322G322-N324 PolarHBondContact O-N 3Å
325A46.9Very low42.6Very low82 Ų82129 Ų12968%0.67871%0.711SS**  trans-92.1135.6-169.400000111.4
326D35.9Very low41.5Very low168 Ų168136 Ų13690%0.89873%0.73SS**  trans-142.4140161.5-104.1-40.2000110.9
327S38.5Very low40.1Very low107 Ų107142.2 Ų142.275%0.74876%0.755SS**  trans-87.6135.2-176.3610000111.8
328Y32.7Very low38.6Very low210 Ų210145.6 Ų145.682%0.82477%0.768SS**  trans-156.5125.7148.1-139.5-123.3000115.5
329L38.1Very low36.8Very low133 Ų133152.3 Ų152.370%0.69678%0.778SS**  trans37.9128.8155.2-63-175.4000122.5
330E36.5Very low35.5Very low191 Ų191149.7 Ų149.789%0.89378%0.777SS**  trans-53.9138.4146.6-63.7173.1106.600111
331Q32.6Very low34.7Very low166 Ų166151.3 Ų151.378%0.77678%0.781SS**  trans-127.194.9152.2-169.8166.86.500109.1E333Q331-E333 PolarHBondContact O-N 3.38Å
332E33.4Very low33.3Very low169 Ų169153.3 Ų153.379%0.7978%0.781SS**  trans-65.9117.3160.3-178.1-173.2165.600108.1
333E30.8Very low32.8Very low151 Ų151160.7 Ų160.771%0.70680%0.797SS**  trans-134.3124.5160.2-164168.1158.400110.7Q331Q331-E333 PolarHBondContact O-N 3.38Å
334T29.3Very low32.8Very low114 Ų114159.9 Ų159.970%0.69979%0.788SS**  trans-98.8119.3-175.149.60000110.3
335T29.1Very low32.3Very low125 Ų125159 Ų15977%0.76778%0.783SS**  trans-129105.2166.450.70000111.3
336K34.2Very low31.7Very low205 Ų205163.8 Ų163.889%0.89179%0.792SS**  trans-70.3133.6154.8-73.2173.8170.9178.60108.9
337E29.3Very low31.6Very low191 Ų191159.3 Ų159.389%0.89379%0.785SS**  trans-157.3116.3134.9-65.3-157.7151.200104.4
338E26.1Very low31.4Very low173 Ų173162 Ų16281%0.80879%0.79SS**  78.794.462.8-161.3157.8168.100115.3
339W23.4Very low31.4Very low216 Ų216155.6 Ų155.682%0.81879%0.788SS**  trans63.2123.8141.7-146.66.7000122.4
340S29.3Very low31.3Very low106 Ų106155.7 Ų155.774%0.74179%0.788SS**  -167.4112.3126.9-79.30000109
341Q30.4Very low31.2Very low159 Ų159153.3 Ų153.374%0.74378%0.781SS**  86.186.587.1-160.7165.71700111.2
342D27.6Very low31.5Very low117 Ų117152.6 Ų152.663%0.62678%0.781SS**  80.611087.3-170.224.5000113.6
343F27.8Very low31.6Very low212 Ų212151.4 Ų151.493%0.9378%0.78SS**  trans-150.6109.3154.2-103.1-77.6000109.2
344R36.7Very low31.9Very low202 Ų202154.4 Ų154.476%0.76279%0.791SS**  trans-74.4176.5152.5-48.4-175.1-166-100.91.9108.3
345D29.5Very low32.3Very low142 Ų142153.2 Ų153.276%0.75979%0.792SS**  cis-161-165.116.8-155.3-9.5000110
346E34.9Very low32.6Very low183 Ų183157.5 Ų157.586%0.85580%0.796SS**  trans84.589.6164-55.6-156140.200117
347G33Very low32.8Very low74 Ų74154.1 Ų154.176%0.76379%0.793SS**  trans-94.2152.915100000111.3
348L35.3Very low33.2Very low164 Ų164148.8 Ų148.886%0.85979%0.789SS**  trans-147.8118.4156.8-154.275.3000110.2I350L348-I350 HydrophobicContact CD2-CD1 3.93Å; L348-I350 HydrophobicContact CG-CD1 4.23Å
349G31.6Very low33.8Very low75 Ų75145.7 Ų145.777%0.77379%0.786SS**  trans-93.9136.2171.200000111
350I35.9Very low34.8Very low135 Ų135144.2 Ų144.269%0.69279%0.79SS**  trans-129.5126.9153.4-6991.6000107.9L348 I352L348-I350 HydrophobicContact CD2-CD1 3.93Å; L348-I350 HydrophobicContact CG-CD1 4.23Å; I350-I352 HydrophobicContact CG2-CD1 4.28Å
351N35.5Very low35.5Very low140 Ų140146 Ų14675%0.74979%0.791SS**  trans-100.4133.8170.3179.8-11000107.8
352I38.1Very low36.2Very low151 Ų151148.1 Ų148.177%0.77479%0.792SS**  trans-147.8120.2161.6-97147.6000108.9I350I350-I352 HydrophobicContact CG2-CD1 4.28Å
353D36.1Very low37.2Very low145 Ų145152.2 Ų152.278%0.77581%0.805SS**  trans-63.5141164.8-89.3-50.2000111.7
354K38Very low38.2Very low214 Ų214152.8 Ų152.893%0.9380%0.801SS**  -160.2151.7126.3-117.4169-174.7172.90113.7
355A37.2Very low38.6Very low88 Ų88149.9 Ų149.973%0.72780%0.8SS**  trans-107.8171.4-163.100000114
356Y34.3Very low39.9Very low216 Ų216148.9 Ų148.985%0.84780%0.801SS**  trans87.4152146.6-119.3-98.6000120
357T39Very low40.4Very low134 Ų134149 Ų14982%0.82280%0.802SS**  trans70127.6-176.570.50000114.2
358G37.4Very low40.7Very low78 Ų78148.7 Ų148.780%0.80480%0.799SS**  cis119.9855.200000111.2
359S39.5Very low41.1Very low108 Ų108149.1 Ų149.176%0.75580%0.801SS**  trans-155.1104.9172.7-175.20000111.9
360M44Very low41.6Very low185 Ų185157.9 Ų157.991%0.91182%0.822SS**  trans-89.2107.9162-74170.649.900109
361L44.2Very low41.9Very low145 Ų145159.1 Ų159.176%0.75983%0.829SS**  trans-144.2100.7165.7-80.2-175.8000115.4
362R44.1Very low42.2Very low202 Ų202160.1 Ų160.176%0.76283%0.833SS**  62.885117.3-157.7180-142150.12.9119.4
363K49.1Very low42.5Very low204 Ų204160.6 Ų160.689%0.88784%0.836SS**  trans-0.2119.4137.1-174-172.7-170.7-178.20116.3
364R48.2Very low42.8Very low224 Ų224161.5 Ų161.585%0.84584%0.84SS**  trans-146.8139154.3-58.2-175.8-154156.911.4110.4
365N44.8Very low43.1Very low140 Ų140158.2 Ų158.275%0.74983%0.834SS**  trans-110.5134.4171.9174.230.1000107.8
366P58.2Low43.5Very low121 Ų121162.9 Ų162.979%0.78684%0.841SS**  trans-101.2126.216133.7-23.9000111
367Q45Very low44.2Very low185 Ų185159.1 Ų159.186%0.86484%0.841SS**  trans-100.9132.9177.6178.1-179.37.500109.5
368G39.6Very low44.6Very low68 Ų68161 Ų16170%0.70184%0.842SS**  trans76.2109.5151.400000119.7
369L42.8Very low45.2Very low173 Ų173167.9 Ų167.991%0.90685%0.845SS**  trans-173.9136.2139-124.475.4000105
370E42.7Very low45.7Very low260 Ų260173.4 Ų173.4100%1.21585%0.853SS**  cis-118.701.9-69.2172.6100.200111.6

Retrieved 370 of 370 residues in 185.5 ms (Link to these results)