A0A3Q0KDZ0_SCHMA Loading...

Gamma-tubulin complex component

AlphaFold DB , UniProt , Accession A0A3Q0KDZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 730 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
1M72Confident79.2Confident81 Ų8142.2 Ų42.240%0.39921%0.211SC..  0-54.20-160.2179.5-67.700112.1H3 E4 L5 I16 F17 L42 V45 Y53M1-H3 PolarHBondContact O-N 3.12Å; M1-E4 PolarHBondContact O-N 3.36Å; M1-E4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-I16 HydrophobicContact CB-CD1 4.33Å; M1-I16 HydrophobicContact CG-CD1 4.25Å; M1-F17 HydrophobicContact CG-CE2 4.29Å; M1-F17 HydrophobicContact CG-CZ 4.13Å; M1-L42 HydrophobicContact CE-CD1 3.88Å; M1-L42 HydrophobicContact CE-CD2 4.49Å; M1-L42 HydrophobicContact SD-CD1 4.27Å; M1-V45 HydrophobicContact CE-CG2 3.61Å; M1-V45 HydrophobicContact SD-CG2 3.79Å; M1-Y53 HydrophobicContact CG-CE1 4.42Å; M1-Y53 HydrophobicContact SD-CE1 4.29Å; M1-Y53 HydrophobicContact SD-CE2 4.02Å; M1-Y53 PolarHBondContact SD-OH 3.05Å; M1-Y53 VanDerWaalsContact SD-OH 3.41Å
2L74.6Confident79.1Confident51 Ų5146.2 Ų46.227%0.26723%0.231SC..Hα-helixtrans-58.1-41179.9-65.7170.9000113.9E4 L5 L6 L107 V115 I118L2-E4 PolarHBondContact O-N 3.27Å; L2-L5 WeakPolarHBondContact O-CB 3.42Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.15Å; L2-L6 PolarHBondContact O-N 2.74Å; L2-L107 HydrophobicContact CD1-CD2 4.21Å; L2-V115 HydrophobicContact CD2-CG2 3.72Å; L2-I118 HydrophobicContact CD2-CD1 3.9Å
3H77.2Confident78.6Confident108 Ų10847.6 Ų47.650%0.525%0.249SC..Hα-helixtrans-64-38.6175.1-169.666.9000112.7M1 L5 L6 L7 E104M1-H3 PolarHBondContact O-N 3.12Å; H3-L5 VanDerWaalsContact C-N 3.32Å; H3-L5 PolarHBondContact O-N 2.73Å; H3-L6 PolarHBondContact O-N 2.91Å; H3-L7 WeakPolarHBondContact O-CG 3.47Å; H3-L7 PolarHBondContact O-N 3.35Å; H3-E104 IonicContact CE1-OE1 2.74Å
4E78.9Confident77.8Confident52 Ų5245.9 Ų45.924%0.24325%0.248CC..Hα-helixtrans-69.1-30.7172.8-70.8-162.9-147.100112.8M1 L2 L7 A8 G15 I16 F17M1-E4 PolarHBondContact O-N 3.36Å; M1-E4 VanDerWaalsContact O-N 3.11Å; L2-E4 PolarHBondContact O-N 3.27Å; E4-L7 PolarHBondContact O-N 2.98Å; E4-A8 WeakPolarHBondContact O-CB 3.45Å; E4-A8 PolarHBondContact O-N 3.07Å; E4-G15 WeakPolarHBondContact OE2-CA 3.4Å; E4-G15 PolarHBondContact OE2-N 3.15Å; E4-I16 HydrophobicContact CG-CD1 4.39Å; E4-I16 WeakPolarHBondContact OE1-CD1 3.18Å; E4-I16 VanDerWaalsContact OE2-CB 3.23Å; E4-I16 WeakPolarHBondContact OE2-CB 3.33Å; E4-I16 VanDerWaalsContact OE2-CG1 3.25Å; E4-I16 WeakPolarHBondContact OE2-CG1 3.17Å; E4-I16 PolarHBondContact OE2-N 2.86Å; E4-F17 HydrophobicContact CB-CD2 4.13Å; E4-F17 HydrophobicContact CB-CE2 4.27Å
5L78.4Confident77Confident0 Ų046.6 Ų46.60%027%0.27CS..Hα-helixtrans-65.6-41.8171.717766.1000110.7M1 L2 H3 L7 A8 L9 F17 Y53 L56 L57 V115 I118M1-L5 PolarHBondContact O-N 2.88Å; L2-L5 WeakPolarHBondContact O-CB 3.42Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.15Å; H3-L5 VanDerWaalsContact C-N 3.32Å; H3-L5 PolarHBondContact O-N 2.73Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-A8 PolarHBondContact O-N 3.25Å; L5-L9 HydrophobicContact CD1-CG 4.46Å; L5-L9 HydrophobicContact CG-CD1 4.13Å; L5-L9 HydrophobicContact CG-CG 4.48Å; L5-L9 WeakPolarHBondContact O-CB 3.2Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.26Å; L5-L9 PolarHBondContact O-N 3.04Å; L5-F17 HydrophobicContact CB-CE2 3.84Å; L5-F17 HydrophobicContact CB-CZ 4.37Å; L5-F17 HydrophobicContact CD1-CE2 4.35Å; L5-F17 HydrophobicContact CD1-CZ 4.35Å; L5-Y53 HydrophobicContact CB-CE1 4.27Å; L5-Y53 HydrophobicContact CD1-CD1 3.89Å; L5-Y53 HydrophobicContact CD1-CE1 4.29Å; L5-Y53 HydrophobicContact CD2-CD1 3.8Å; L5-Y53 HydrophobicContact CD2-CE1 3.57Å; L5-Y53 HydrophobicContact CG-CD1 4.31Å; L5-Y53 HydrophobicContact CG-CE1 4.24Å; L5-L56 HydrophobicContact CD1-CB 4.31Å; L5-L56 HydrophobicContact CD2-CD1 3.9Å; L5-L57 HydrophobicContact CD1-CD2 4.15Å; L5-L57 HydrophobicContact CD1-CG 4.45Å; L5-V115 HydrophobicContact CD2-CG1 4.49Å; L5-I118 HydrophobicContact CD2-CD1 4.03Å
6L81.6Confident76.1Confident18 Ų1846.1 Ų46.19%0.09427%0.266CS..Hα-helixtrans-61.6-41.9174.4-70.9174.4000111.8L2 H3 A8 L9 H10 L103 E104 L107L2-L6 PolarHBondContact O-N 2.74Å; H3-L6 PolarHBondContact O-N 2.91Å; L6-A8 VanDerWaalsContact C-N 3.35Å; L6-L9 HydrophobicContact CD2-CD1 4.45Å; L6-L9 WeakPolarHBondContact O-CB 3.22Å; L6-L9 PolarHBondContact O-N 3.17Å; L6-H10 PolarHBondContact O-N 3.35Å; L6-L103 HydrophobicContact CD2-CB 4.41Å; L6-E104 HydrophobicContact CD1-CB 3.98Å; L6-E104 HydrophobicContact CD1-CG 4.13Å; L6-L107 HydrophobicContact CD1-CD1 3.76Å; L6-L107 HydrophobicContact CD2-CD1 4.12Å; L6-L107 HydrophobicContact CG-CD1 4.14Å
7L81.8Confident75.7Confident62 Ų6243.4 Ų43.433%0.32525%0.25SS..Hα-helixtrans-60.9-43.8173.6-69.9171.8000111.6H3 E4 L5 L9 H10 G11 I12H3-L7 WeakPolarHBondContact O-CG 3.47Å; H3-L7 PolarHBondContact O-N 3.35Å; E4-L7 PolarHBondContact O-N 2.98Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.21Å; L7-H10 CarbonylContact O-C 3.59Å; L7-H10 WeakPolarHBondContact O-CA 3.4Å; L7-H10 WeakPolarHBondContact O-CB 3.33Å; L7-H10 PolarHBondContact O-N 3.38Å; L7-G11 PolarHBondContact O-N 3.11Å; L7-I12 CarbonylContact C-O 3.53Å; L7-I12 VanDerWaalsContact C-O 3.32Å; L7-I12 PolarHBondContact O-N 2.97Å
8A81.7Confident75.4Confident0 Ų044.4 Ų44.40%026%0.257CS..Hα-helixtrans-64-36.8175.700000112.4E4 L5 L6 H10 G11 I12 F17 L35 L57 G60E4-A8 WeakPolarHBondContact O-CB 3.45Å; E4-A8 PolarHBondContact O-N 3.07Å; L5-A8 PolarHBondContact O-N 3.25Å; L6-A8 VanDerWaalsContact C-N 3.35Å; A8-H10 PolarHBondContact O-N 3.48Å; A8-G11 WeakPolarHBondContact O-CA 3.47Å; A8-G11 PolarHBondContact O-N 3.46Å; A8-I12 WeakPolarHBondContact CA-O 3.37Å; A8-I12 PolarHBondContact N-O 3.25Å; A8-F17 HydrophobicContact CB-CB 4Å; A8-F17 HydrophobicContact CB-CD2 4.21Å; A8-F17 HydrophobicContact CB-CG 4.31Å; A8-L35 HydrophobicContact CB-CD1 4.38Å; A8-L35 VanDerWaalsContact O-CD1 3.23Å; A8-L35 WeakPolarHBondContact O-CD1 3.3Å; A8-L57 HydrophobicContact CB-CD2 3.75Å; A8-G60 WeakPolarHBondContact O-CA 3.25Å
9L82.8Confident74.8Confident0 Ų045.5 Ų45.50%026%0.26CS..Hα-helixtrans-66.6-27.3172.8-72.8168000112.3L5 L6 L7 G11 L56 L59 Y96 L100 I118 L122L5-L9 HydrophobicContact CD1-CG 4.46Å; L5-L9 HydrophobicContact CG-CD1 4.13Å; L5-L9 HydrophobicContact CG-CG 4.48Å; L5-L9 WeakPolarHBondContact O-CB 3.2Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.26Å; L5-L9 PolarHBondContact O-N 3.04Å; L6-L9 HydrophobicContact CD2-CD1 4.45Å; L6-L9 WeakPolarHBondContact O-CB 3.22Å; L6-L9 PolarHBondContact O-N 3.17Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.21Å; L9-G11 PolarHBondContact O-N 3.03Å; L9-L56 HydrophobicContact CD2-CB 4.24Å; L9-L56 HydrophobicContact CD2-CD2 4.5Å; L9-L56 WeakPolarHBondContact CD2-O 3.35Å; L9-L59 HydrophobicContact CD2-CB 4.23Å; L9-Y96 PolarHBondContact O-OH 2.73Å; L9-L100 HydrophobicContact CB-CD1 4.3Å; L9-L100 HydrophobicContact CB-CD2 3.92Å; L9-L100 HydrophobicContact CD1-CD2 4.09Å; L9-I118 HydrophobicContact CD1-CG2 4.02Å; L9-L122 HydrophobicContact CD1-CD1 3.77Å; L9-L122 HydrophobicContact CD2-CD1 4.1Å
10H83.1Confident74.3Confident81 Ų8144.6 Ų44.638%0.37526%0.256SS..THydrogen-bonded Turntrans-80.47.4169.6-144.577.2000113.4L6 L7 A8 I12 Y63L6-H10 PolarHBondContact O-N 3.35Å; L7-H10 CarbonylContact O-C 3.59Å; L7-H10 WeakPolarHBondContact O-CA 3.4Å; L7-H10 WeakPolarHBondContact O-CB 3.33Å; L7-H10 PolarHBondContact O-N 3.38Å; A8-H10 PolarHBondContact O-N 3.48Å; H10-I12 VanDerWaalsContact C-N 3.28Å; H10-I12 PolarHBondContact O-N 3.38Å; H10-Y63 WeakPolarHBondContact O-CE1 3.43Å
11G79.4Confident73.6Confident11 Ų1148.1 Ų48.111%0.11327%0.274CS..THydrogen-bonded Turntrans78.54.4-179.400000114.9L7 A8 L9L7-G11 PolarHBondContact O-N 3.11Å; A8-G11 WeakPolarHBondContact O-CA 3.47Å; A8-G11 PolarHBondContact O-N 3.46Å; L9-G11 PolarHBondContact O-N 3.03Å
12I77.2Confident72.6Confident90 Ų9052 Ų5246%0.46229%0.289SS..  trans-93.7120.6-178.5-56172.4000108.9L7 A8 H10L7-I12 CarbonylContact C-O 3.53Å; L7-I12 VanDerWaalsContact C-O 3.32Å; L7-I12 PolarHBondContact O-N 2.97Å; A8-I12 WeakPolarHBondContact CA-O 3.37Å; A8-I12 PolarHBondContact N-O 3.25Å; H10-I12 VanDerWaalsContact C-N 3.28Å; H10-I12 PolarHBondContact O-N 3.38Å
13S73.5Confident71.4Confident65 Ų6554 Ų5446%0.45530%0.304SS..  trans-67.2132.6175.355.90000111
14G67.2Low69.9Low23 Ų2355 Ų5524%0.23731%0.308CS..  trans-106.8-164.9-179.700000113.4F17G14-F17 PolarHBondContact N-O 3.21Å
15G66.2Low68.2Low57 Ų5762 Ų6259%0.58834%0.341SS*.SBendtrans-86.9-9.3178.800000114.6E4 I38E4-G15 WeakPolarHBondContact OE2-CA 3.4Å; E4-G15 PolarHBondContact OE2-N 3.15Å; G15-I38 VanDerWaalsContact C-CD1 3.46Å; G15-I38 WeakPolarHBondContact O-CD1 3.43Å
16I62.6Low66.4Low38 Ų3869.6 Ų69.620%0.19538%0.381CS..SBendtrans-117.2-31.8178-60.6167.6000111M1 E4 P37 I38 L42M1-I16 HydrophobicContact CB-CD1 4.33Å; M1-I16 HydrophobicContact CG-CD1 4.25Å; E4-I16 HydrophobicContact CG-CD1 4.39Å; E4-I16 WeakPolarHBondContact OE1-CD1 3.18Å; E4-I16 VanDerWaalsContact OE2-CB 3.23Å; E4-I16 WeakPolarHBondContact OE2-CB 3.33Å; E4-I16 VanDerWaalsContact OE2-CG1 3.25Å; E4-I16 WeakPolarHBondContact OE2-CG1 3.17Å; E4-I16 PolarHBondContact OE2-N 2.86Å; I16-P37 WeakPolarHBondContact O-CA 3.48Å; I16-I38 WeakPolarHBondContact O-CG1 3.49Å; I16-I38 PolarHBondContact O-N 3.04Å; I16-L42 HydrophobicContact CG2-CD1 4.38Å
17F68.1Low65Low1 Ų170.5 Ų70.50%0.00439%0.387CS..EExtended strand (participates in β ladder)trans-115.1109.5179.9-56.2-68.3000109.2M1 E4 L5 A8 G14 P37 Y53 L57M1-F17 HydrophobicContact CG-CE2 4.29Å; M1-F17 HydrophobicContact CG-CZ 4.13Å; E4-F17 HydrophobicContact CB-CD2 4.13Å; E4-F17 HydrophobicContact CB-CE2 4.27Å; L5-F17 HydrophobicContact CB-CE2 3.84Å; L5-F17 HydrophobicContact CB-CZ 4.37Å; L5-F17 HydrophobicContact CD1-CE2 4.35Å; L5-F17 HydrophobicContact CD1-CZ 4.35Å; A8-F17 HydrophobicContact CB-CB 4Å; A8-F17 HydrophobicContact CB-CD2 4.21Å; A8-F17 HydrophobicContact CB-CG 4.31Å; G14-F17 PolarHBondContact N-O 3.21Å; F17-P37 HydrophobicContact CD1-CB 4.11Å; F17-P37 HydrophobicContact CE1-CB 4.19Å; F17-Y53 HydrophobicContact CE1-CD1 4.24Å; F17-Y53 AromaticContact CZ-CD1 3.81Å; F17-Y53 HydrophobicContact CZ-CD1 3.81Å; F17-Y53 AromaticContact CZ-CE1 3.94Å; F17-Y53 HydrophobicContact CZ-CE1 3.94Å; F17-L57 HydrophobicContact CB-CD2 4.05Å; F17-L57 HydrophobicContact CD1-CD1 3.6Å; F17-L57 HydrophobicContact CD1-CD2 3.75Å; F17-L57 HydrophobicContact CD1-CG 4.24Å; F17-L57 HydrophobicContact CE1-CD1 3.89Å; F17-L57 HydrophobicContact CE1-CD2 4.34Å; F17-L57 HydrophobicContact CG-CD2 3.87Å
18V70.6Confident63.9Low62 Ų6275.3 Ų75.338%0.37641%0.412SS..EExtended strand (participates in β ladder)trans-116.2149.1-171.5175.60000109.8I36 I38V18-I36 PolarHBondContact N-O 2.96Å; V18-I36 PolarHBondContact O-N 3.33Å; V18-I38 HydrophobicContact CB-CG1 3.9Å; V18-I38 HydrophobicContact CG2-CD1 3.47Å; V18-I38 VanDerWaalsContact CG2-CD1 3.47Å; V18-I38 HydrophobicContact CG2-CG1 3.3Å
19Q65Low62.8Low64 Ų6477 Ų7730%0.29942%0.421SS..EExtended strand (participates in β ladder)trans-71.5130.3175.1-175.9172.65.100110.4Q33 L35Q19-Q33 HydrophobicContact CG-CB 4.43Å; Q19-L35 HydrophobicContact CB-CD2 4.48Å
20S64.4Low61.7Low27 Ų2778.6 Ų78.619%0.18944%0.438CS..EExtended strand (participates in β ladder)trans-130141.3174.385.20000111.1K22 H34 I36S20-K22 PolarHBondContact O-N 3.29Å; S20-H34 PolarHBondContact N-O 3.45Å; S20-H34 PolarHBondContact O-N 3.1Å; S20-I36 WeakPolarHBondContact OG-CD1 3.39Å; S20-I36 WeakPolarHBondContact OG-CG1 3.14Å
21D59.4Low60.5Low119 Ų11975.1 Ų75.164%0.63642%0.422SS*.  trans-85.69.5174.7-58.2-24.5000112.3T23 D32D21-T23 PolarHBondContact O-N 2.86Å; D21-D32 WeakPolarHBondContact CA-O 3.26Å
22K51.2Low59.6Low163 Ų16380.7 Ų80.771%0.70945%0.449SS*.  trans-82.9104.2-177.2-70-173.3179.4-179.70109.4S20 E24S20-K22 PolarHBondContact O-N 3.29Å; K22-E24 PolarHBondContact O-N 3.5Å
23T48.6Very low58.9Low94 Ų9480.2 Ų80.258%0.57745%0.445SS*.  trans-65.8109.4165.949.90000109.1D21D21-T23 PolarHBondContact O-N 2.86Å
24E46.3Very low58.5Low128 Ų12877.7 Ų77.760%0.59843%0.426SS*.  trans-67.9136.6159.6-69.2-169.5163.500107.7K22 D26 D27K22-E24 PolarHBondContact O-N 3.5Å; E24-D26 PolarHBondContact O-N 3.05Å; E24-D27 PolarHBondContact O-N 3.18Å
25E43.5Very low58.2Low199 Ų19977 Ų7793%0.9342%0.417SS*.THydrogen-bonded Turntrans-62.30.9-166.6-66.6-179.5155.300115.4
26D40.8Very low58.1Low159 Ų15976.2 Ų76.285%0.8540%0.399SS*.THydrogen-bonded Turntrans-119.514.8-173.1-81.3-27.7000114.9E24 D28E24-D26 PolarHBondContact O-N 3.05Å; D26-D28 PolarHBondContact O-N 3.47Å; D26-D28 VanDerWaalsContact O-N 3.15Å
27D50.8Low58Low38 Ų3875.7 Ų75.720%0.20340%0.398CS..  trans-80.7101.2-178.4-88.4-32.4000113.8E24 L29 G30 H34 K58E24-D27 PolarHBondContact O-N 3.18Å; D27-L29 PolarHBondContact O-N 3.48Å; D27-G30 PolarHBondContact O-N 3.33Å; D27-G30 VanDerWaalsContact O-N 3.08Å; D27-H34 IonicContact OD2-CD2 2.84Å; D27-H34 IonicContact OD2-CE1 3.88Å; D27-H34 PolarHBondContact OD2-CE1 3.06Å; D27-H34 IonicContact OD2-ND1 3.71Å; D27-H34 IonicContact OD2-NE2 3.02Å; D27-H34 PolarHBondContact OD2-NE2 2.93Å; D27-K58 IonicContact OD1-NZ 3.93Å; D27-K58 PolarHBondContact OD1-NZ 3.25Å
28D59.4Low57.6Low162 Ų16280.6 Ų80.687%0.86642%0.423SS*.THydrogen-bonded Turntrans-58.5-9.6170.8-157.326.7000113.5D26D26-D28 PolarHBondContact O-N 3.47Å; D26-D28 VanDerWaalsContact O-N 3.15Å
29L58.4Low57Low35 Ų3580 Ų8018%0.18342%0.421CS..THydrogen-bonded Turntrans-87.9-28.4177.5-75.1160.5000113.4D27 L31 P130 V133D27-L29 PolarHBondContact O-N 3.48Å; L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 HydrophobicContact CB-CD1 4.43Å; L29-L31 HydrophobicContact CB-CG 4.33Å; L29-L31 PolarHBondContact O-N 3.36Å; L29-P130 HydrophobicContact CD2-CB 3.69Å; L29-P130 HydrophobicContact CD2-CG 4.22Å; L29-V133 HydrophobicContact CD2-CG1 4.4Å
30G59.2Low56.5Low34 Ų3482.1 Ų82.135%0.35144%0.435SS..  trans54.734.8-17700000115.1D27 K137D27-G30 PolarHBondContact O-N 3.33Å; D27-G30 VanDerWaalsContact O-N 3.08Å; G30-K137 PolarHBondContact O-NZ 3.21Å
31L59.5Low56Low8 Ų887 Ų874%0.04246%0.459CS..  trans-83.9146.5175.9-67.6171.8000110L29 H34 T61 Y65 V133L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 HydrophobicContact CB-CD1 4.43Å; L29-L31 HydrophobicContact CB-CG 4.33Å; L29-L31 PolarHBondContact O-N 3.36Å; L31-H34 PolarHBondContact O-NE2 3.02Å; L31-H34 VanDerWaalsContact O-NE2 3.08Å; L31-T61 HydrophobicContact CD1-CG2 3.93Å; L31-Y65 HydrophobicContact CD2-CD1 4.07Å; L31-Y65 HydrophobicContact CD2-CD2 3.65Å; L31-Y65 HydrophobicContact CD2-CE1 4.38Å; L31-Y65 HydrophobicContact CD2-CE2 4.03Å; L31-Y65 HydrophobicContact CD2-CG 3.67Å; L31-V133 HydrophobicContact CD1-CG1 4.14Å; L31-V133 HydrophobicContact CD2-CG1 3.77Å; L31-V133 HydrophobicContact CG-CG1 4.17Å
32D58.7Low56Low128 Ų12882.9 Ų82.968%0.68444%0.437SS*.SBendtrans-80-23.9-178.7-65.2-26.8000112.4D21D21-D32 WeakPolarHBondContact CA-O 3.26Å
33Q63Low56.3Low81 Ų8180.4 Ų80.438%0.37944%0.437SS..  trans-127122.1-170.8-65.3176.7-6.300109.7Q19 T61Q19-Q33 HydrophobicContact CG-CB 4.43Å; Q33-T61 WeakPolarHBondContact O-CG2 3.43Å
34H64.9Low57.1Low11 Ų1185.2 Ų85.25%0.05145%0.451CS..EExtended strand (participates in β ladder)trans-121.4140.5-179.9-72.2-95.4000111.6S20 D27 L31 I36S20-H34 PolarHBondContact N-O 3.45Å; S20-H34 PolarHBondContact O-N 3.1Å; D27-H34 IonicContact OD2-CD2 2.84Å; D27-H34 IonicContact OD2-CE1 3.88Å; D27-H34 PolarHBondContact OD2-CE1 3.06Å; D27-H34 IonicContact OD2-ND1 3.71Å; D27-H34 IonicContact OD2-NE2 3.02Å; D27-H34 PolarHBondContact OD2-NE2 2.93Å; L31-H34 PolarHBondContact O-NE2 3.02Å; L31-H34 VanDerWaalsContact O-NE2 3.08Å; H34-I36 HydrophobicContact CB-CD1 4.41Å; H34-I36 HydrophobicContact CB-CG1 4.15Å; H34-I36 PolarHBondContact O-N 3.47Å
35L61.4Low58Low8 Ų880 Ų804%0.04243%0.427CS..EExtended strand (participates in β ladder)trans-79.8116.3168.7-67.3170.6000108.9A8 Q19 L57 T61A8-L35 HydrophobicContact CB-CD1 4.38Å; A8-L35 VanDerWaalsContact O-CD1 3.23Å; A8-L35 WeakPolarHBondContact O-CD1 3.3Å; Q19-L35 HydrophobicContact CB-CD2 4.48Å; L35-L57 HydrophobicContact CB-CB 4.44Å; L35-L57 HydrophobicContact CB-CD2 4.19Å; L35-L57 WeakPolarHBondContact O-CB 3.46Å; L35-T61 PolarHBondContact N-OG1 2.75Å
36I64Low59.2Low41 Ų4174 Ų7421%0.2141%0.406CS..EExtended strand (participates in β ladder)trans-124.3144.1-178.4-54.1-167.4000108.7V18 S20 H34V18-I36 PolarHBondContact N-O 2.96Å; V18-I36 PolarHBondContact O-N 3.33Å; S20-I36 WeakPolarHBondContact OG-CD1 3.39Å; S20-I36 WeakPolarHBondContact OG-CG1 3.14Å; H34-I36 HydrophobicContact CB-CD1 4.41Å; H34-I36 HydrophobicContact CB-CG1 4.15Å; H34-I36 PolarHBondContact O-N 3.47Å
37P60.5Low60.4Low27 Ų2773.6 Ų73.618%0.17540%0.399CS..EExtended strand (participates in β ladder)trans-58.4141.6168.425.9-35.3000110.9I16 F17 S39I16-P37 WeakPolarHBondContact O-CA 3.48Å; F17-P37 HydrophobicContact CD1-CB 4.11Å; F17-P37 HydrophobicContact CE1-CB 4.19Å; P37-S39 PolarHBondContact O-N 3.36Å
38I59.6Low61.2Low105 Ų10574.3 Ų74.354%0.53842%0.415SS..SBendtrans-56-29.9-179.8-71.1172.9000112.6G15 I16 V18G15-I38 VanDerWaalsContact C-CD1 3.46Å; G15-I38 WeakPolarHBondContact O-CD1 3.43Å; I16-I38 WeakPolarHBondContact O-CG1 3.49Å; I16-I38 PolarHBondContact O-N 3.04Å; V18-I38 HydrophobicContact CB-CG1 3.9Å; V18-I38 HydrophobicContact CG2-CD1 3.47Å; V18-I38 VanDerWaalsContact CG2-CD1 3.47Å; V18-I38 HydrophobicContact CG2-CG1 3.3Å
39S57.4Low62Low48 Ų4870 Ų7034%0.33639%0.389SS..  trans-138.8125.1176.963.40000110.8P37 N41P37-S39 PolarHBondContact O-N 3.36Å; S39-N41 PolarHBondContact O-N 3.15Å; S39-N41 VanDerWaalsContact O-N 3.09Å
40N56.1Low62.7Low109 Ų10969.8 Ų69.858%0.58339%0.388SS*.SBendtrans-61.9-16.7175.1-66.6-0.1000113.1
41N53.1Low63.5Low130 Ų13072.1 Ų72.170%0.69540%0.396SS*.  trans-116.565.7178.9-71.1-18.1000111S39 P43S39-N41 PolarHBondContact O-N 3.15Å; S39-N41 VanDerWaalsContact O-N 3.09Å; N41-P43 WeakPolarHBondContact O-CD 3.32Å; N41-P43 VanDerWaalsContact O-N 3.16Å
42L59.4Low64.4Low33 Ų3373.9 Ų73.917%0.17341%0.405CS..  trans-64.6111.2165.6-71.8165.5000107.7M1 I16 F44 V45 L50M1-L42 HydrophobicContact CE-CD1 3.88Å; M1-L42 HydrophobicContact CE-CD2 4.49Å; M1-L42 HydrophobicContact SD-CD1 4.27Å; I16-L42 HydrophobicContact CG2-CD1 4.38Å; L42-F44 PolarHBondContact O-N 3.5Å; L42-V45 HydrophobicContact CB-CB 4.22Å; L42-V45 HydrophobicContact CB-CG2 3.82Å; L42-V45 HydrophobicContact CD1-CG2 4.15Å; L42-V45 PolarHBondContact O-N 3.39Å; L42-L50 HydrophobicContact CD1-CD2 4.5Å
43P58.7Low65.3Low111 Ų11168.4 Ų68.472%0.72137%0.374SS*.THydrogen-bonded Turntrans-66.3-11.6-168.523.4-30.9000114.1N41N41-P43 WeakPolarHBondContact O-CD 3.32Å; N41-P43 VanDerWaalsContact O-N 3.16Å
44F64.1Low66.1Low194 Ų19466.9 Ų66.985%0.85138%0.376SS*.THydrogen-bonded Turntrans-106.22.2-175.7-54.7-73.5000114L42L42-F44 PolarHBondContact O-N 3.5Å
45V66Low66.8Low18 Ų1870.3 Ų70.311%0.10939%0.392CS..SBendtrans-112.2123.3-175.2-175.80000110.5M1 L42 E49 L50 Y53M1-V45 HydrophobicContact CE-CG2 3.61Å; M1-V45 HydrophobicContact SD-CG2 3.79Å; L42-V45 HydrophobicContact CB-CB 4.22Å; L42-V45 HydrophobicContact CB-CG2 3.82Å; L42-V45 HydrophobicContact CD1-CG2 4.15Å; L42-V45 PolarHBondContact O-N 3.39Å; V45-E49 HydrophobicContact CG1-CB 3.63Å; V45-L50 HydrophobicContact CB-CD2 4.02Å; V45-L50 HydrophobicContact CB-CG 4.33Å; V45-L50 HydrophobicContact CG1-CD2 3.77Å; V45-L50 HydrophobicContact CG1-CG 3.91Å; V45-Y53 HydrophobicContact CG1-CD2 4.05Å; V45-Y53 HydrophobicContact CG1-CE2 3.76Å
46P68.3Low67.9Low74 Ų7470 Ų7048%0.48139%0.39SS..  trans-56.9143.9173.1-21.631.1000112.2G48 E49 L50P46-G48 PolarHBondContact O-N 3.15Å; P46-G48 VanDerWaalsContact O-N 3.12Å; P46-E49 HydrophobicContact CB-CG 4.47Å; P46-E49 WeakPolarHBondContact CD-OE2 3.4Å; P46-E49 HydrophobicContact CG-CG 4.41Å; P46-E49 WeakPolarHBondContact O-CB 3.49Å; P46-E49 PolarHBondContact O-N 2.87Å; P46-L50 PolarHBondContact O-N 3Å
47H66Low68.8Low151 Ų15168.1 Ų68.170%0.69938%0.38SS*.Hα-helixtrans-53.9-36.1179.9-113.166.2000113.6E49 L50 V51H47-E49 VanDerWaalsContact C-N 3.31Å; H47-E49 PolarHBondContact O-N 3.32Å; H47-L50 PolarHBondContact O-N 3.35Å; H47-V51 PolarHBondContact O-N 3.32Å
48G68.4Low69.8Low52 Ų5271.1 Ų71.154%0.53639%0.391SS..Hα-helixtrans-65.1-32.1176.700000113.6P46P46-G48 PolarHBondContact O-N 3.15Å; P46-G48 VanDerWaalsContact O-N 3.12Å
49E74.5Confident71Confident72 Ų7266.3 Ų66.334%0.33637%0.366SS..Hα-helixtrans-75.6-34.8175.2-69.1-176.9-176.100111.5V45 P46 H47 V51 L52 Y53V45-E49 HydrophobicContact CG1-CB 3.63Å; P46-E49 HydrophobicContact CB-CG 4.47Å; P46-E49 WeakPolarHBondContact CD-OE2 3.4Å; P46-E49 HydrophobicContact CG-CG 4.41Å; P46-E49 WeakPolarHBondContact O-CB 3.49Å; P46-E49 PolarHBondContact O-N 2.87Å; H47-E49 VanDerWaalsContact C-N 3.31Å; H47-E49 PolarHBondContact O-N 3.32Å; E49-V51 VanDerWaalsContact C-N 3.28Å; E49-V51 PolarHBondContact O-N 3.49Å; E49-L52 CarbonylContact O-C 3.6Å; E49-L52 WeakPolarHBondContact O-CB 3.35Å; E49-L52 PolarHBondContact O-N 3.08Å; E49-L52 VanDerWaalsContact O-N 3.12Å; E49-Y53 HydrophobicContact CB-CD2 4.24Å; E49-Y53 HydrophobicContact CB-CE2 4.08Å; E49-Y53 WeakPolarHBondContact O-CD2 3.39Å; E49-Y53 PolarHBondContact O-N 3.46Å
50L73.5Confident72.3Confident31 Ų3164 Ų6416%0.16235%0.35CS..Hα-helixtrans-58.9-38.8176.2-68.8175.4000112.5L42 V45 P46 H47 Y53 A54L42-L50 HydrophobicContact CD1-CD2 4.5Å; V45-L50 HydrophobicContact CB-CD2 4.02Å; V45-L50 HydrophobicContact CB-CG 4.33Å; V45-L50 HydrophobicContact CG1-CD2 3.77Å; V45-L50 HydrophobicContact CG1-CG 3.91Å; P46-L50 PolarHBondContact O-N 3Å; H47-L50 PolarHBondContact O-N 3.35Å; L50-Y53 PolarHBondContact O-N 3.31Å; L50-A54 PolarHBondContact O-N 3.36Å
51V77.2Confident73.7Confident83 Ų8359.1 Ų59.150%0.50332%0.324SS..Hα-helixtrans-65-43.7175.1179.80000110.8H47 E49 Y53 A54 E55H47-V51 PolarHBondContact O-N 3.32Å; E49-V51 VanDerWaalsContact C-N 3.28Å; E49-V51 PolarHBondContact O-N 3.49Å; V51-Y53 VanDerWaalsContact C-N 3.34Å; V51-Y53 PolarHBondContact O-N 3.28Å; V51-A54 PolarHBondContact O-N 2.89Å; V51-E55 PolarHBondContact O-N 2.98Å
52L77.9Confident75.3Confident45 Ų4553 Ų5324%0.23629%0.291CS..Hα-helixtrans-63.9-39.9176-65.4176.4000111.8E49 E55 L56 V115E49-L52 CarbonylContact O-C 3.6Å; E49-L52 WeakPolarHBondContact O-CB 3.35Å; E49-L52 PolarHBondContact O-N 3.08Å; E49-L52 VanDerWaalsContact O-N 3.12Å; L52-E55 PolarHBondContact O-N 2.83Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.15Å; L52-V115 HydrophobicContact CB-CG1 3.85Å; L52-V115 HydrophobicContact CD1-CG1 4.49Å
53Y78.5Confident76.7Confident12 Ų1251.6 Ų51.65%0.04728%0.284CS..Hα-helixtrans-59.6-48.4173.2-80.1-65.4000111.1M1 L5 F17 V45 E49 L50 V51 E55 L56 L57 V115M1-Y53 HydrophobicContact CG-CE1 4.42Å; M1-Y53 HydrophobicContact SD-CE1 4.29Å; M1-Y53 HydrophobicContact SD-CE2 4.02Å; M1-Y53 PolarHBondContact SD-OH 3.05Å; M1-Y53 VanDerWaalsContact SD-OH 3.41Å; L5-Y53 HydrophobicContact CB-CE1 4.27Å; L5-Y53 HydrophobicContact CD1-CD1 3.89Å; L5-Y53 HydrophobicContact CD1-CE1 4.29Å; L5-Y53 HydrophobicContact CD2-CD1 3.8Å; L5-Y53 HydrophobicContact CD2-CE1 3.57Å; L5-Y53 HydrophobicContact CG-CD1 4.31Å; L5-Y53 HydrophobicContact CG-CE1 4.24Å; F17-Y53 HydrophobicContact CE1-CD1 4.24Å; F17-Y53 AromaticContact CZ-CD1 3.81Å; F17-Y53 HydrophobicContact CZ-CD1 3.81Å; F17-Y53 AromaticContact CZ-CE1 3.94Å; F17-Y53 HydrophobicContact CZ-CE1 3.94Å; V45-Y53 HydrophobicContact CG1-CD2 4.05Å; V45-Y53 HydrophobicContact CG1-CE2 3.76Å; E49-Y53 HydrophobicContact CB-CD2 4.24Å; E49-Y53 HydrophobicContact CB-CE2 4.08Å; E49-Y53 WeakPolarHBondContact O-CD2 3.39Å; E49-Y53 PolarHBondContact O-N 3.46Å; L50-Y53 PolarHBondContact O-N 3.31Å; V51-Y53 VanDerWaalsContact C-N 3.34Å; V51-Y53 PolarHBondContact O-N 3.28Å; Y53-E55 PolarHBondContact O-N 3.06Å; Y53-L56 PolarHBondContact O-N 3.39Å; Y53-L57 WeakPolarHBondContact O-CB 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.47Å; Y53-L57 PolarHBondContact O-N 2.95Å; Y53-V115 HydrophobicContact CD1-CG1 4.48Å; Y53-V115 HydrophobicContact CE1-CG1 4.37Å; Y53-V115 HydrophobicContact CE1-CG2 3.94Å; Y53-V115 HydrophobicContact CE2-CG2 3.79Å; Y53-V115 WeakPolarHBondContact OH-CG2 3.32Å
54A78.2Confident78Confident49 Ų4947.9 Ų47.941%0.40526%0.256SS..Hα-helixtrans-59.5-44.9178.800000112.1L50 V51 L56 L57 K58L50-A54 PolarHBondContact O-N 3.36Å; V51-A54 PolarHBondContact O-N 2.89Å; A54-L56 PolarHBondContact O-N 3.47Å; A54-L57 PolarHBondContact O-N 3.26Å; A54-K58 WeakPolarHBondContact O-CG 3.37Å; A54-K58 PolarHBondContact O-N 3.36Å; A54-K58 VanDerWaalsContact O-N 3.1Å
55E81Confident79.2Confident84 Ų8440.3 Ų40.339%0.39322%0.222SC..Hα-helixtrans-63.7-39.1176.4-71.8-176.4-178.900113V51 L52 Y53 K58 L59 K126V51-E55 PolarHBondContact O-N 2.98Å; L52-E55 PolarHBondContact O-N 2.83Å; Y53-E55 PolarHBondContact O-N 3.06Å; E55-K58 PolarHBondContact O-N 2.98Å; E55-L59 PolarHBondContact O-N 3.33Å; E55-K126 IonicContact OE2-NZ 3.72Å; E55-K126 PolarHBondContact OE2-NZ 3.24Å
56L83.3Confident80.3Confident0 Ų039.5 Ų39.50%022%0.217CC..Hα-helixtrans-69.8-38.3177.4-74.3173.9000111.8L5 L9 L52 Y53 A54 K58 L59 G60 V115 I118 L122L5-L56 HydrophobicContact CD1-CB 4.31Å; L5-L56 HydrophobicContact CD2-CD1 3.9Å; L9-L56 HydrophobicContact CD2-CB 4.24Å; L9-L56 HydrophobicContact CD2-CD2 4.5Å; L9-L56 WeakPolarHBondContact CD2-O 3.35Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.15Å; Y53-L56 PolarHBondContact O-N 3.39Å; A54-L56 PolarHBondContact O-N 3.47Å; L56-K58 VanDerWaalsContact C-N 3.29Å; L56-K58 PolarHBondContact O-N 3.2Å; L56-L59 HydrophobicContact CD2-CD1 4.07Å; L56-L59 WeakPolarHBondContact O-CA 3.12Å; L56-L59 VanDerWaalsContact O-CB 3.28Å; L56-L59 WeakPolarHBondContact O-CB 3.43Å; L56-L59 PolarHBondContact O-N 2.83Å; L56-G60 PolarHBondContact O-N 3.43Å; L56-G60 VanDerWaalsContact O-N 3.12Å; L56-V115 HydrophobicContact CD1-CG1 3.75Å; L56-I118 HydrophobicContact CD1-CB 4.29Å; L56-I118 HydrophobicContact CD1-CG2 3.86Å; L56-I118 HydrophobicContact CD2-CG2 4.11Å; L56-L122 HydrophobicContact CD2-CB 4.33Å; L56-L122 HydrophobicContact CD2-CD1 3.97Å
57L82.3Confident81.3Confident2 Ų238.1 Ų38.11%0.0120%0.204CC..Hα-helixtrans-67-30.6176.2-69.2168.7000112.4L5 A8 F17 L35 Y53 A54 L59 G60 T61L5-L57 HydrophobicContact CD1-CD2 4.15Å; L5-L57 HydrophobicContact CD1-CG 4.45Å; A8-L57 HydrophobicContact CB-CD2 3.75Å; F17-L57 HydrophobicContact CB-CD2 4.05Å; F17-L57 HydrophobicContact CD1-CD1 3.6Å; F17-L57 HydrophobicContact CD1-CD2 3.75Å; F17-L57 HydrophobicContact CD1-CG 4.24Å; F17-L57 HydrophobicContact CE1-CD1 3.89Å; F17-L57 HydrophobicContact CE1-CD2 4.34Å; F17-L57 HydrophobicContact CG-CD2 3.87Å; L35-L57 HydrophobicContact CB-CB 4.44Å; L35-L57 HydrophobicContact CB-CD2 4.19Å; L35-L57 WeakPolarHBondContact O-CB 3.46Å; Y53-L57 WeakPolarHBondContact O-CB 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.47Å; Y53-L57 PolarHBondContact O-N 2.95Å; A54-L57 PolarHBondContact O-N 3.26Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 PolarHBondContact O-N 2.98Å; L57-G60 PolarHBondContact O-N 3.3Å; L57-T61 WeakPolarHBondContact O-CB 3.48Å; L57-T61 PolarHBondContact O-N 3.07Å; L57-T61 PolarHBondContact O-OG1 3.41Å
58K83.5Confident82.3Confident90 Ų9034.9 Ų34.939%0.39119%0.19SC..Hα-helixtrans-59.2-38.6168.4-70.6-173.3-176.5-145.70111.3D27 A54 E55 L56 T61 C62D27-K58 IonicContact OD1-NZ 3.93Å; D27-K58 PolarHBondContact OD1-NZ 3.25Å; A54-K58 WeakPolarHBondContact O-CG 3.37Å; A54-K58 PolarHBondContact O-N 3.36Å; A54-K58 VanDerWaalsContact O-N 3.1Å; E55-K58 PolarHBondContact O-N 2.98Å; L56-K58 VanDerWaalsContact C-N 3.29Å; L56-K58 PolarHBondContact O-N 3.2Å; K58-T61 PolarHBondContact O-N 2.93Å; K58-C62 PolarHBondContact O-N 3.08Å; K58-C62 PolarHBondContact O-SG 3.22Å
59L84.2Confident83.3Confident4 Ų432.7 Ų32.72%0.02117%0.165CC..Hα-helixtrans-65.2-45.2174.4-60.2176.9000112.3L9 E55 L56 L57 T61 C62 Y63 L122 K126 L129L9-L59 HydrophobicContact CD2-CB 4.23Å; E55-L59 PolarHBondContact O-N 3.33Å; L56-L59 HydrophobicContact CD2-CD1 4.07Å; L56-L59 WeakPolarHBondContact O-CA 3.12Å; L56-L59 VanDerWaalsContact O-CB 3.28Å; L56-L59 WeakPolarHBondContact O-CB 3.43Å; L56-L59 PolarHBondContact O-N 2.83Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 PolarHBondContact O-N 2.98Å; L59-T61 VanDerWaalsContact C-N 3.26Å; L59-T61 PolarHBondContact O-N 3.11Å; L59-C62 PolarHBondContact O-N 3.16Å; L59-Y63 WeakPolarHBondContact O-CB 3.39Å; L59-Y63 PolarHBondContact O-N 3.26Å; L59-L122 HydrophobicContact CD1-CB 3.98Å; L59-K126 HydrophobicContact CD1-CG 4.01Å; L59-K126 HydrophobicContact CD2-CB 4.34Å; L59-K126 HydrophobicContact CD2-CG 4.04Å; L59-K126 HydrophobicContact CG-CG 4.37Å; L59-L129 HydrophobicContact CB-CD1 4.32Å; L59-L129 HydrophobicContact CD2-CD1 4.19Å
60G85.1Confident83.9Confident0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-60.7-37.9176.500000112.3A8 L56 L57 Y63 K64A8-G60 WeakPolarHBondContact O-CA 3.25Å; L56-G60 PolarHBondContact O-N 3.43Å; L56-G60 VanDerWaalsContact O-N 3.12Å; L57-G60 PolarHBondContact O-N 3.3Å; G60-Y63 PolarHBondContact O-N 3.37Å; G60-K64 WeakPolarHBondContact O-CB 3.43Å; G60-K64 PolarHBondContact O-N 3.2Å
61T84.7Confident84.6Confident7 Ų734.1 Ų34.14%0.04317%0.171CC..Hα-helixtrans-64-47174.9-54.50000111.4L31 Q33 L35 L57 K58 L59 Y63 K64 Y65L31-T61 HydrophobicContact CD1-CG2 3.93Å; Q33-T61 WeakPolarHBondContact O-CG2 3.43Å; L35-T61 PolarHBondContact N-OG1 2.75Å; L57-T61 WeakPolarHBondContact O-CB 3.48Å; L57-T61 PolarHBondContact O-N 3.07Å; L57-T61 PolarHBondContact O-OG1 3.41Å; K58-T61 PolarHBondContact O-N 2.93Å; L59-T61 VanDerWaalsContact C-N 3.26Å; L59-T61 PolarHBondContact O-N 3.11Å; T61-Y63 PolarHBondContact O-N 3.36Å; T61-K64 PolarHBondContact O-N 3.09Å; T61-Y65 PolarHBondContact O-N 2.98Å; T61-Y65 VanDerWaalsContact O-N 3.08Å
62C86.8Confident85Confident0 Ų036.5 Ų36.50%017%0.172CC..Hα-helixtrans-60.9-44.2175.1-68.40000112.1K58 L59 Y65 L66 L129 V133K58-C62 PolarHBondContact O-N 3.08Å; K58-C62 PolarHBondContact O-SG 3.22Å; L59-C62 PolarHBondContact O-N 3.16Å; C62-Y65 PolarHBondContact O-N 3.49Å; C62-L66 VanDerWaalsContact O-CG 3.31Å; C62-L66 WeakPolarHBondContact O-CG 3.35Å; C62-L66 PolarHBondContact O-N 3.37Å; C62-L66 VanDerWaalsContact O-N 3.09Å; C62-L129 HydrophobicContact CB-CB 3.8Å; C62-V133 HydrophobicContact CB-CG2 3.71Å
63Y88Confident85.2Confident5 Ų534.7 Ų34.72%0.0216%0.162CC..Hα-helixtrans-61.9-45.1178.1177-97.7000111.4H10 L59 G60 T61 Y65 L66 Q67 L93 Y96 R97H10-Y63 WeakPolarHBondContact O-CE1 3.43Å; L59-Y63 WeakPolarHBondContact O-CB 3.39Å; L59-Y63 PolarHBondContact O-N 3.26Å; G60-Y63 PolarHBondContact O-N 3.37Å; T61-Y63 PolarHBondContact O-N 3.36Å; Y63-Y65 PolarHBondContact O-N 3Å; Y63-L66 PolarHBondContact O-N 3.46Å; Y63-Q67 WeakPolarHBondContact O-CB 3.49Å; Y63-Q67 PolarHBondContact O-N 3.45Å; Y63-L93 HydrophobicContact CD2-CD1 4.13Å; Y63-L93 HydrophobicContact CD2-CD2 4.1Å; Y63-L93 HydrophobicContact CE2-CB 4.29Å; Y63-L93 HydrophobicContact CE2-CD1 4.02Å; Y63-L93 HydrophobicContact CE2-CD2 4.46Å; Y63-L93 HydrophobicContact CE2-CG 4.5Å; Y63-Y96 HydrophobicContact CD1-CE1 4.46Å; Y63-Y96 AromaticContact CD2-CD1 3.44Å; Y63-Y96 HydrophobicContact CD2-CD1 3.44Å; Y63-Y96 VanDerWaalsContact CD2-CD1 3.44Å; Y63-Y96 AromaticContact CD2-CE1 3.45Å; Y63-Y96 HydrophobicContact CD2-CE1 3.45Å; Y63-Y96 VanDerWaalsContact CD2-CE1 3.45Å; Y63-Y96 AromaticContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CE1 4.05Å; Y63-Y96 HydrophobicContact CG-CD1 4.17Å; Y63-Y96 AromaticContact CG-CE1 3.68Å; Y63-Y96 HydrophobicContact CG-CE1 3.68Å; Y63-R97 HydrophobicContact CE2-CG 3.98Å; Y63-R97 WeakPolarHBondContact OH-CG 3.35Å; Y63-R97 PolarHBondContact OH-NE 3.06Å
64K86.5Confident85.3Confident32 Ų3236.4 Ų36.414%0.13918%0.175CC..Hα-helixtrans-56.8-51.1176.6-175.5-179175.5174.30111.8G60 T61 L66 Q67 E68G60-K64 WeakPolarHBondContact O-CB 3.43Å; G60-K64 PolarHBondContact O-N 3.2Å; T61-K64 PolarHBondContact O-N 3.09Å; K64-L66 VanDerWaalsContact C-N 3.32Å; K64-L66 PolarHBondContact O-N 2.9Å; K64-Q67 WeakPolarHBondContact O-CB 3.48Å; K64-Q67 PolarHBondContact O-N 3.48Å; K64-Q67 VanDerWaalsContact O-N 3.16Å; K64-E68 WeakPolarHBondContact CE-OE1 3.5Å; K64-E68 IonicContact NZ-OE1 3.2Å; K64-E68 WeakPolarHBondContact O-CG 3.29Å; K64-E68 PolarHBondContact O-N 2.94Å
65Y88.7Confident85.5Confident36 Ų3638.8 Ų38.814%0.14118%0.178CC..Hα-helixtrans-58.9-43.4178.9174.9-97.3000112.2L31 T61 C62 Y63 E68 F69 V133 T136 K137 E140L31-Y65 HydrophobicContact CD2-CD1 4.07Å; L31-Y65 HydrophobicContact CD2-CD2 3.65Å; L31-Y65 HydrophobicContact CD2-CE1 4.38Å; L31-Y65 HydrophobicContact CD2-CE2 4.03Å; L31-Y65 HydrophobicContact CD2-CG 3.67Å; T61-Y65 PolarHBondContact O-N 2.98Å; T61-Y65 VanDerWaalsContact O-N 3.08Å; C62-Y65 PolarHBondContact O-N 3.49Å; Y63-Y65 PolarHBondContact O-N 3Å; Y65-E68 PolarHBondContact O-N 3.23Å; Y65-F69 WeakPolarHBondContact O-CB 3.41Å; Y65-F69 PolarHBondContact O-N 2.87Å; Y65-V133 HydrophobicContact CD1-CB 4.36Å; Y65-V133 HydrophobicContact CD1-CG1 3.87Å; Y65-V133 HydrophobicContact CD1-CG2 4.04Å; Y65-V133 HydrophobicContact CE1-CG1 4.01Å; Y65-T136 HydrophobicContact CE1-CG2 4.04Å; Y65-K137 WeakPolarHBondContact OH-CA 3.45Å; Y65-E140 PolarHBondContact OH-OE2 3.24Å
66L88.9Confident85.2Confident0 Ų038.2 Ų38.20%018%0.183CC..Hα-helixtrans-66.1-38177.2-66.7172.2000112.1C62 Y63 K64 F69 I70 I89 L93 L129 L132 V133 T136C62-L66 VanDerWaalsContact O-CG 3.31Å; C62-L66 WeakPolarHBondContact O-CG 3.35Å; C62-L66 PolarHBondContact O-N 3.37Å; C62-L66 VanDerWaalsContact O-N 3.09Å; Y63-L66 PolarHBondContact O-N 3.46Å; K64-L66 VanDerWaalsContact C-N 3.32Å; K64-L66 PolarHBondContact O-N 2.9Å; L66-F69 PolarHBondContact O-N 2.73Å; L66-I70 WeakPolarHBondContact O-CD1 3.44Å; L66-I70 WeakPolarHBondContact O-CG1 3.32Å; L66-I70 PolarHBondContact O-N 3.43Å; L66-I89 HydrophobicContact CB-CG2 4.24Å; L66-I89 HydrophobicContact CD2-CG2 4.08Å; L66-L93 HydrophobicContact CB-CD1 3.93Å; L66-L93 HydrophobicContact CD1-CD2 4.01Å; L66-L129 HydrophobicContact CD1-CD2 3.96Å; L66-L132 HydrophobicContact CD1-CB 3.85Å; L66-L132 HydrophobicContact CD1-CD1 4.25Å; L66-L132 HydrophobicContact CD2-CB 4.18Å; L66-V133 HydrophobicContact CD1-CG2 4.22Å; L66-V133 HydrophobicContact CD2-CG2 4.21Å; L66-V133 HydrophobicContact CG-CG2 3.97Å; L66-T136 HydrophobicContact CD2-CG2 4.17Å; L66-T136 WeakPolarHBondContact CD2-OG1 3.43Å
67Q89.7Confident84.8Confident45 Ų4544.5 Ų44.521%0.2121%0.208CC..Hα-helixtrans-65.3-46.2176.6-176.464.424.900111.5Y63 K64 F69 I70 E71Y63-Q67 WeakPolarHBondContact O-CB 3.49Å; Y63-Q67 PolarHBondContact O-N 3.45Å; K64-Q67 WeakPolarHBondContact O-CB 3.48Å; K64-Q67 PolarHBondContact O-N 3.48Å; K64-Q67 VanDerWaalsContact O-N 3.16Å; Q67-F69 VanDerWaalsContact C-N 3.29Å; Q67-F69 PolarHBondContact O-N 2.89Å; Q67-I70 PolarHBondContact O-N 3.37Å; Q67-I70 VanDerWaalsContact O-N 3.16Å; Q67-E71 PolarHBondContact NE2-OE1 3.2Å; Q67-E71 WeakPolarHBondContact O-CG 3.41Å; Q67-E71 PolarHBondContact O-N 3.42Å
68E88.1Confident84.5Confident84 Ų8447 Ų4739%0.39322%0.22SC..Hα-helixtrans-60.4-39.6175.2-72.8178173.300111.5K64 Y65 E71 R72K64-E68 WeakPolarHBondContact CE-OE1 3.5Å; K64-E68 IonicContact NZ-OE1 3.2Å; K64-E68 WeakPolarHBondContact O-CG 3.29Å; K64-E68 PolarHBondContact O-N 2.94Å; Y65-E68 PolarHBondContact O-N 3.23Å; E68-E71 PolarHBondContact O-N 3.13Å; E68-R72 VanDerWaalsContact O-CB 3.29Å; E68-R72 WeakPolarHBondContact O-CB 3.4Å; E68-R72 PolarHBondContact O-N 3.48Å
69F87.6Confident84.5Confident5 Ų542.8 Ų42.82%0.02220%0.201CC..Hα-helixtrans-62.7-44.7173.6-179.1-86.1000112.1Y65 L66 Q67 R72 F73 L82 F85 A86 I89 T136 V139 E140Y65-F69 WeakPolarHBondContact O-CB 3.41Å; Y65-F69 PolarHBondContact O-N 2.87Å; L66-F69 PolarHBondContact O-N 2.73Å; Q67-F69 VanDerWaalsContact C-N 3.29Å; Q67-F69 PolarHBondContact O-N 2.89Å; F69-R72 PolarHBondContact O-N 2.85Å; F69-F73 HydrophobicContact CD1-CD2 4.18Å; F69-F73 AromaticContact CD2-CD2 3.44Å; F69-F73 HydrophobicContact CD2-CD2 3.44Å; F69-F73 VanDerWaalsContact CD2-CD2 3.44Å; F69-F73 AromaticContact CD2-CE2 3.55Å; F69-F73 HydrophobicContact CD2-CE2 3.55Å; F69-F73 HydrophobicContact CE1-CB 4.38Å; F69-F73 HydrophobicContact CE1-CD2 4.05Å; F69-F73 AromaticContact CE2-CD2 3.3Å; F69-F73 HydrophobicContact CE2-CD2 3.3Å; F69-F73 AromaticContact CE2-CE2 3.41Å; F69-F73 HydrophobicContact CE2-CE2 3.41Å; F69-F73 VanDerWaalsContact CE2-CE2 3.41Å; F69-F73 HydrophobicContact CE2-CG 4.31Å; F69-F73 HydrophobicContact CE2-CZ 4.49Å; F69-F73 AromaticContact CG-CD2 3.89Å; F69-F73 HydrophobicContact CG-CD2 3.89Å; F69-F73 HydrophobicContact CG-CE2 4.39Å; F69-F73 HydrophobicContact CZ-CB 4.45Å; F69-F73 AromaticContact CZ-CD2 3.62Å; F69-F73 HydrophobicContact CZ-CD2 3.62Å; F69-F73 HydrophobicContact CZ-CE2 4.16Å; F69-F73 HydrophobicContact CZ-CG 4.26Å; F69-F73 WeakPolarHBondContact O-CD2 3.37Å; F69-F73 PolarHBondContact O-N 3.42Å; F69-L82 HydrophobicContact CZ-CD1 4.12Å; F69-F85 AromaticContact CE1-CD1 3.84Å; F69-F85 HydrophobicContact CE1-CD1 3.84Å; F69-F85 AromaticContact CE1-CE1 3.81Å; F69-F85 HydrophobicContact CE1-CE1 3.81Å; F69-F85 AromaticContact CZ-CD1 3.94Å; F69-F85 HydrophobicContact CZ-CD1 3.94Å; F69-F85 AromaticContact CZ-CE1 3.81Å; F69-F85 HydrophobicContact CZ-CE1 3.81Å; F69-A86 HydrophobicContact CE1-CB 4.42Å; F69-I89 HydrophobicContact CD1-CD1 3.84Å; F69-I89 HydrophobicContact CE1-CD1 3.77Å; F69-T136 HydrophobicContact CB-CG2 3.94Å; F69-T136 HydrophobicContact CD1-CG2 3.6Å; F69-T136 HydrophobicContact CD2-CG2 3.32Å; F69-T136 HydrophobicContact CE1-CG2 3.9Å; F69-T136 HydrophobicContact CE2-CG2 3.63Å; F69-T136 HydrophobicContact CG-CG2 3.31Å; F69-T136 HydrophobicContact CZ-CG2 3.91Å; F69-V139 HydrophobicContact CZ-CG1 4.27Å; F69-E140 HydrophobicContact CD2-CB 4.36Å; F69-E140 HydrophobicContact CE2-CB 4Å; F69-E140 HydrophobicContact CE2-CG 4.47Å
70I88.3Confident84.6Confident12 Ų1244.4 Ų44.46%0.06221%0.209CC..Hα-helixtrans-61.9-47.6177.6-68158.8000110.3L66 Q67 R72 F73 S74 I89 D90 L93L66-I70 WeakPolarHBondContact O-CD1 3.44Å; L66-I70 WeakPolarHBondContact O-CG1 3.32Å; L66-I70 PolarHBondContact O-N 3.43Å; Q67-I70 PolarHBondContact O-N 3.37Å; Q67-I70 VanDerWaalsContact O-N 3.16Å; I70-R72 PolarHBondContact O-N 2.84Å; I70-F73 PolarHBondContact O-N 3.16Å; I70-S74 WeakPolarHBondContact O-CA 3.31Å; I70-S74 WeakPolarHBondContact O-CB 3.34Å; I70-S74 PolarHBondContact O-N 3.47Å; I70-S74 PolarHBondContact O-OG 3.08Å; I70-I89 HydrophobicContact CD1-CB 4.32Å; I70-I89 HydrophobicContact CD1-CG2 3.89Å; I70-I89 HydrophobicContact CG1-CB 4.26Å; I70-I89 HydrophobicContact CG1-CG2 4.17Å; I70-D90 HydrophobicContact CD1-CB 3.92Å; I70-D90 HydrophobicContact CG1-CB 4.42Å; I70-D90 HydrophobicContact CG2-CB 4.21Å; I70-L93 HydrophobicContact CD1-CD1 3.69Å
71E87.8Confident84.8Confident121 Ų12144.4 Ų44.457%0.56521%0.209SC*.Hα-helixtrans-60.5-37.5179.2-73.8173.4-165.900111.5Q67 E68Q67-E71 PolarHBondContact NE2-OE1 3.2Å; Q67-E71 WeakPolarHBondContact O-CG 3.41Å; Q67-E71 PolarHBondContact O-N 3.42Å; E68-E71 PolarHBondContact O-N 3.13Å
72R85.3Confident84.9Confident134 Ų13444.1 Ų44.151%0.50621%0.208SC..Hα-helixtrans-71.5-40.2178.1-171.7174.1-176.3178.83.8113.7E68 F69 I70 H78 E140E68-R72 VanDerWaalsContact O-CB 3.29Å; E68-R72 WeakPolarHBondContact O-CB 3.4Å; E68-R72 PolarHBondContact O-N 3.48Å; F69-R72 PolarHBondContact O-N 2.85Å; I70-R72 PolarHBondContact O-N 2.84Å; R72-H78 PolarHBondContact O-CE1 3.47Å; R72-H78 PolarHBondContact O-ND1 2.96Å; R72-E140 IonicContact NH1-OE1 3.67Å; R72-E140 PolarHBondContact NH1-OE1 3.45Å
73F83.5Confident85Confident7 Ų744.8 Ų44.83%0.03121%0.213CC..Hα-helixtrans-115.42.1-167.8-64.2-68.7000115.2F69 I70 E75 H78 L82 A86 E140 V143F69-F73 HydrophobicContact CD1-CD2 4.18Å; F69-F73 AromaticContact CD2-CD2 3.44Å; F69-F73 HydrophobicContact CD2-CD2 3.44Å; F69-F73 VanDerWaalsContact CD2-CD2 3.44Å; F69-F73 AromaticContact CD2-CE2 3.55Å; F69-F73 HydrophobicContact CD2-CE2 3.55Å; F69-F73 HydrophobicContact CE1-CB 4.38Å; F69-F73 HydrophobicContact CE1-CD2 4.05Å; F69-F73 AromaticContact CE2-CD2 3.3Å; F69-F73 HydrophobicContact CE2-CD2 3.3Å; F69-F73 AromaticContact CE2-CE2 3.41Å; F69-F73 HydrophobicContact CE2-CE2 3.41Å; F69-F73 VanDerWaalsContact CE2-CE2 3.41Å; F69-F73 HydrophobicContact CE2-CG 4.31Å; F69-F73 HydrophobicContact CE2-CZ 4.49Å; F69-F73 AromaticContact CG-CD2 3.89Å; F69-F73 HydrophobicContact CG-CD2 3.89Å; F69-F73 HydrophobicContact CG-CE2 4.39Å; F69-F73 HydrophobicContact CZ-CB 4.45Å; F69-F73 AromaticContact CZ-CD2 3.62Å; F69-F73 HydrophobicContact CZ-CD2 3.62Å; F69-F73 HydrophobicContact CZ-CE2 4.16Å; F69-F73 HydrophobicContact CZ-CG 4.26Å; F69-F73 WeakPolarHBondContact O-CD2 3.37Å; F69-F73 PolarHBondContact O-N 3.42Å; I70-F73 PolarHBondContact O-N 3.16Å; F73-E75 VanDerWaalsContact C-N 3.25Å; F73-E75 PolarHBondContact O-N 2.87Å; F73-H78 HydrophobicContact CD1-CB 4.28Å; F73-H78 AromaticContact CD1-CD2 3.72Å; F73-H78 AromaticContact CD1-CG 3.93Å; F73-H78 AromaticContact CE1-CD2 3.99Å; F73-L82 HydrophobicContact CB-CD2 4.32Å; F73-L82 HydrophobicContact CB-CG 4.17Å; F73-L82 HydrophobicContact CD1-CD2 3.48Å; F73-L82 VanDerWaalsContact CD1-CD2 3.48Å; F73-L82 HydrophobicContact CD1-CG 4.24Å; F73-L82 HydrophobicContact CE1-CD2 3.98Å; F73-L82 HydrophobicContact CG-CD2 4.06Å; F73-L82 HydrophobicContact CG-CG 4.36Å; F73-A86 HydrophobicContact CB-CB 4.35Å; F73-E140 HydrophobicContact CE2-CG 4.43Å; F73-V143 HydrophobicContact CE1-CG1 4.14Å
74S80.3Confident85.1Confident47 Ų4744.9 Ų44.933%0.32921%0.214SC..  trans-67.6-25.1176.854.40000113.4I70I70-S74 WeakPolarHBondContact O-CA 3.31Å; I70-S74 WeakPolarHBondContact O-CB 3.34Å; I70-S74 PolarHBondContact O-N 3.47Å; I70-S74 PolarHBondContact O-OG 3.08Å
75E81.6Confident85.3Confident100 Ų10043.4 Ų43.447%0.46721%0.208SC..SBendtrans-75.8140.1-178.1-58.9-171.1124.900111.9F73 Y77 H78F73-E75 VanDerWaalsContact C-N 3.25Å; F73-E75 PolarHBondContact O-N 2.87Å; E75-Y77 VanDerWaalsContact C-N 3.27Å; E75-Y77 HydrophobicContact CB-CD1 3.72Å; E75-Y77 HydrophobicContact CB-CE1 3.23Å; E75-Y77 HydrophobicContact CG-CE1 3.99Å; E75-Y77 PolarHBondContact O-N 2.81Å; E75-Y77 VanDerWaalsContact O-N 3.15Å; E75-Y77 WeakPolarHBondContact OE2-CE1 3.42Å; E75-Y77 PolarHBondContact OE2-OH 2.93Å; E75-H78 PolarHBondContact O-N 3.36Å
76S74.5Confident85.4Confident71 Ų7141.7 Ų41.750%0.49720%0.201SC..G310 helixtrans-66-21.2-167.957.20000115H78 G79 Y204S76-H78 PolarHBondContact O-N 3.47Å; S76-G79 PolarHBondContact O-N 3.26Å; S76-G79 VanDerWaalsContact O-N 3.12Å; S76-Y204 WeakPolarHBondContact O-CE2 3.5Å; S76-Y204 PolarHBondContact O-OH 2.96Å
77Y75.9Confident85.4Confident133 Ų13346 Ų4652%0.52222%0.223SC..G310 helixtrans-71-12.2-17860.9-97.6000114.1E75 G79 Y204E75-Y77 VanDerWaalsContact C-N 3.27Å; E75-Y77 HydrophobicContact CB-CD1 3.72Å; E75-Y77 HydrophobicContact CB-CE1 3.23Å; E75-Y77 HydrophobicContact CG-CE1 3.99Å; E75-Y77 PolarHBondContact O-N 2.81Å; E75-Y77 VanDerWaalsContact O-N 3.15Å; E75-Y77 WeakPolarHBondContact OE2-CE1 3.42Å; E75-Y77 PolarHBondContact OE2-OH 2.93Å; Y77-G79 VanDerWaalsContact C-N 3.3Å; Y77-Y204 WeakPolarHBondContact CA-OH 3.49Å
78H75.7Confident85.4Confident55 Ų5543.8 Ų43.826%0.25521%0.213SC..G310 helixtrans-80-14.3172.4-67.4100.9000113.2R72 F73 E75 S76 L82 S153R72-H78 PolarHBondContact O-CE1 3.47Å; R72-H78 PolarHBondContact O-ND1 2.96Å; F73-H78 HydrophobicContact CD1-CB 4.28Å; F73-H78 AromaticContact CD1-CD2 3.72Å; F73-H78 AromaticContact CD1-CG 3.93Å; F73-H78 AromaticContact CE1-CD2 3.99Å; E75-H78 PolarHBondContact O-N 3.36Å; S76-H78 PolarHBondContact O-N 3.47Å; H78-L82 HydrophobicContact CB-CD2 4.12Å; H78-S153 WeakPolarHBondContact O-CB 3.43Å
79G83.3Confident85.5Confident0 Ų039.8 Ų39.80%020%0.195CC..  trans129.3151.4-177.900000114.2S76 Y77 S83 S153 E206S76-G79 PolarHBondContact O-N 3.26Å; S76-G79 VanDerWaalsContact O-N 3.12Å; Y77-G79 VanDerWaalsContact C-N 3.3Å; G79-S83 VanDerWaalsContact O-CB 3.29Å; G79-S83 WeakPolarHBondContact O-CB 3.46Å; G79-S83 PolarHBondContact O-N 3.42Å; G79-S83 PolarHBondContact O-OG 3.06Å; G79-S153 WeakPolarHBondContact CA-OG 3.47Å; G79-E206 VanDerWaalsContact C-OE1 3.26Å; G79-E206 WeakPolarHBondContact CA-OE1 3.37Å
80L86.5Confident85.7Confident38 Ų3841.1 Ų41.120%0.19920%0.202CC..Hα-helixtrans-72.1-37.3-179.3-62.1177.9000111.4S83 A84 V186 P203 Y204 E206L80-S83 WeakPolarHBondContact CA-OG 3.47Å; L80-S83 PolarHBondContact O-OG 3.22Å; L80-S83 VanDerWaalsContact O-OG 3.11Å; L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.42Å; L80-A84 PolarHBondContact O-N 2.94Å; L80-A84 VanDerWaalsContact O-N 3.09Å; L80-V186 HydrophobicContact CB-CG1 3.72Å; L80-P203 HydrophobicContact CD1-CG 4.12Å; L80-P203 HydrophobicContact CG-CG 4.46Å; L80-Y204 HydrophobicContact CD2-CE2 4.21Å; L80-Y204 HydrophobicContact CG-CD2 4.07Å; L80-Y204 HydrophobicContact CG-CE2 4.18Å; L80-E206 WeakPolarHBondContact CB-OE2 3.39Å; L80-E206 PolarHBondContact N-OE1 3.45Å; L80-E206 PolarHBondContact N-OE2 2.83Å
81Y88.9Confident85.7Confident0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-72-43179.6-71.1-98.9000111.7A84 F85 C155 I183 V186 F187 Q190 E206Y81-A84 PolarHBondContact O-N 3.49Å; Y81-F85 WeakPolarHBondContact O-CB 3.24Å; Y81-F85 PolarHBondContact O-N 3.37Å; Y81-C155 HydrophobicContact CD1-CB 4.23Å; Y81-C155 HydrophobicContact CE1-CB 3.62Å; Y81-C155 HydrophobicContact CE2-CB 4.48Å; Y81-I183 HydrophobicContact CD1-CG2 3.46Å; Y81-I183 VanDerWaalsContact CD1-CG2 3.46Å; Y81-I183 HydrophobicContact CE1-CG2 4.09Å; Y81-I183 HydrophobicContact CG-CG2 4.45Å; Y81-V186 HydrophobicContact CD2-CG1 4.31Å; Y81-V186 HydrophobicContact CE2-CG1 4.09Å; Y81-F187 HydrophobicContact CE1-CB 4.19Å; Y81-Q190 VanDerWaalsContact CE2-OE1 3.23Å; Y81-Q190 VanDerWaalsContact CZ-OE1 3.27Å; Y81-Q190 PolarHBondContact OH-OE1 3.26Å; Y81-E206 HydrophobicContact CD2-CB 3.69Å; Y81-E206 HydrophobicContact CD2-CG 4.34Å; Y81-E206 HydrophobicContact CE2-CB 3.82Å
82L88.1Confident85.7Confident2 Ų237.1 Ų37.11%0.0119%0.185CC..Hα-helixtrans-70.1-40179.3-172.560.6000112.3F69 F73 H78 F85 A86 V139 V143 S153F69-L82 HydrophobicContact CZ-CD1 4.12Å; F73-L82 HydrophobicContact CB-CD2 4.32Å; F73-L82 HydrophobicContact CB-CG 4.17Å; F73-L82 HydrophobicContact CD1-CD2 3.48Å; F73-L82 VanDerWaalsContact CD1-CD2 3.48Å; F73-L82 HydrophobicContact CD1-CG 4.24Å; F73-L82 HydrophobicContact CE1-CD2 3.98Å; F73-L82 HydrophobicContact CG-CD2 4.06Å; F73-L82 HydrophobicContact CG-CG 4.36Å; H78-L82 HydrophobicContact CB-CD2 4.12Å; L82-F85 HydrophobicContact CD1-CD1 4.24Å; L82-F85 WeakPolarHBondContact O-CB 3.48Å; L82-F85 PolarHBondContact O-N 2.94Å; L82-A86 PolarHBondContact O-N 3.01Å; L82-V139 HydrophobicContact CD1-CG1 3.92Å; L82-V143 HydrophobicContact CD1-CG2 4.17Å; L82-V143 HydrophobicContact CD2-CG1 3.89Å; L82-V143 HydrophobicContact CD2-CG2 4.08Å; L82-S153 VanDerWaalsContact CB-OG 3.25Å; L82-S153 WeakPolarHBondContact CB-OG 3.4Å; L82-S153 PolarHBondContact N-OG 3.32Å
83S88.3Confident85.9Confident14 Ų1430.8 Ų30.810%0.09816%0.162CC..Hα-helixtrans-64.4-40.7173.454.80000111.9G79 L80 F85 A86 L87G79-S83 VanDerWaalsContact O-CB 3.29Å; G79-S83 WeakPolarHBondContact O-CB 3.46Å; G79-S83 PolarHBondContact O-N 3.42Å; G79-S83 PolarHBondContact O-OG 3.06Å; L80-S83 WeakPolarHBondContact CA-OG 3.47Å; L80-S83 PolarHBondContact O-OG 3.22Å; L80-S83 VanDerWaalsContact O-OG 3.11Å; S83-F85 VanDerWaalsContact C-N 3.3Å; S83-F85 PolarHBondContact O-N 3Å; S83-A86 PolarHBondContact O-N 3.26Å; S83-L87 WeakPolarHBondContact O-CB 3.34Å; S83-L87 WeakPolarHBondContact O-CG 3.44Å; S83-L87 PolarHBondContact O-N 2.86Å
84A89.4Confident86.2Confident7 Ų735.3 Ų35.36%0.05818%0.181CC..Hα-helixtrans-63.6-35.2173.100000112.9L80 Y81 G88 H182 V186L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.42Å; L80-A84 PolarHBondContact O-N 2.94Å; L80-A84 VanDerWaalsContact O-N 3.09Å; Y81-A84 PolarHBondContact O-N 3.49Å; A84-G88 PolarHBondContact O-N 3.02Å; A84-H182 WeakPolarHBondContact O-CB 3.48Å; A84-V186 HydrophobicContact CB-CG2 3.52Å
85F90.5Very high86.6Confident0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-65-47.4172.3178.1-112.9000111.9F69 Y81 L82 S83 L87 G88 I89 V135 V139 L157 I161 L179 I183F69-F85 AromaticContact CE1-CD1 3.84Å; F69-F85 HydrophobicContact CE1-CD1 3.84Å; F69-F85 AromaticContact CE1-CE1 3.81Å; F69-F85 HydrophobicContact CE1-CE1 3.81Å; F69-F85 AromaticContact CZ-CD1 3.94Å; F69-F85 HydrophobicContact CZ-CD1 3.94Å; F69-F85 AromaticContact CZ-CE1 3.81Å; F69-F85 HydrophobicContact CZ-CE1 3.81Å; Y81-F85 WeakPolarHBondContact O-CB 3.24Å; Y81-F85 PolarHBondContact O-N 3.37Å; L82-F85 HydrophobicContact CD1-CD1 4.24Å; L82-F85 WeakPolarHBondContact O-CB 3.48Å; L82-F85 PolarHBondContact O-N 2.94Å; S83-F85 VanDerWaalsContact C-N 3.3Å; S83-F85 PolarHBondContact O-N 3Å; F85-L87 VanDerWaalsContact C-N 3.35Å; F85-L87 PolarHBondContact O-N 3.48Å; F85-G88 PolarHBondContact O-N 3.2Å; F85-G88 VanDerWaalsContact O-N 3.12Å; F85-I89 HydrophobicContact CD1-CD1 3.99Å; F85-I89 HydrophobicContact CE1-CD1 3.5Å; F85-I89 HydrophobicContact CE1-CG1 4.42Å; F85-I89 HydrophobicContact CE2-CD1 4.33Å; F85-I89 HydrophobicContact CE2-CG1 4.47Å; F85-I89 HydrophobicContact CZ-CD1 3.7Å; F85-I89 HydrophobicContact CZ-CG1 4.29Å; F85-I89 WeakPolarHBondContact O-CG1 3.28Å; F85-I89 PolarHBondContact O-N 3.35Å; F85-V135 HydrophobicContact CE2-CG1 4.36Å; F85-V135 HydrophobicContact CZ-CG1 4.19Å; F85-V139 HydrophobicContact CD1-CG1 4.02Å; F85-V139 HydrophobicContact CE1-CB 3.91Å; F85-V139 HydrophobicContact CE1-CG1 3.75Å; F85-V139 HydrophobicContact CE1-CG2 3.91Å; F85-V139 HydrophobicContact CE2-CG2 4.47Å; F85-V139 HydrophobicContact CZ-CB 4.27Å; F85-V139 HydrophobicContact CZ-CG2 3.82Å; F85-L157 HydrophobicContact CB-CD2 3.93Å; F85-L157 HydrophobicContact CG-CD2 4.25Å; F85-I161 HydrophobicContact CD2-CD1 3.41Å; F85-I161 VanDerWaalsContact CD2-CD1 3.41Å; F85-I161 HydrophobicContact CD2-CG1 4.27Å; F85-I161 HydrophobicContact CE2-CD1 3.53Å; F85-I161 HydrophobicContact CE2-CG1 3.87Å; F85-I161 HydrophobicContact CG-CD1 4.26Å; F85-I161 HydrophobicContact CZ-CD1 4.48Å; F85-L179 HydrophobicContact CD2-CD2 4.48Å; F85-L179 HydrophobicContact CE2-CD1 4Å; F85-L179 HydrophobicContact CE2-CD2 4.45Å; F85-I183 HydrophobicContact CB-CD1 3.97Å; F85-I183 HydrophobicContact CB-CG1 4.24Å; F85-I183 HydrophobicContact CD2-CD1 3.95Å; F85-I183 HydrophobicContact CG-CD1 4.39Å
86A90.5Very high87Confident0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-59.9-43.6176.500000111.9F69 F73 L82 S83 G88 I89 D90F69-A86 HydrophobicContact CE1-CB 4.42Å; F73-A86 HydrophobicContact CB-CB 4.35Å; L82-A86 PolarHBondContact O-N 3.01Å; S83-A86 PolarHBondContact O-N 3.26Å; A86-G88 VanDerWaalsContact C-N 3.32Å; A86-G88 PolarHBondContact O-N 3.47Å; A86-I89 PolarHBondContact O-N 3.33Å; A86-D90 PolarHBondContact O-N 3.04Å
87L90Very high87.7Confident90 Ų9029.5 Ų29.547%0.47115%0.147SC..Hα-helixtrans-61.3-39.6173.5-72.3173.8000112.1S83 F85 I89 D90 D91S83-L87 WeakPolarHBondContact O-CB 3.34Å; S83-L87 WeakPolarHBondContact O-CG 3.44Å; S83-L87 PolarHBondContact O-N 2.86Å; F85-L87 VanDerWaalsContact C-N 3.35Å; F85-L87 PolarHBondContact O-N 3.48Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.45Å; L87-D90 WeakPolarHBondContact O-CB 3.45Å; L87-D90 PolarHBondContact O-N 2.93Å; L87-D91 VanDerWaalsContact O-CB 3.31Å; L87-D91 WeakPolarHBondContact O-CB 3.39Å; L87-D91 PolarHBondContact O-N 2.91Å
88G89.6Confident88.4Confident0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-63.5-37174.700000113.2A84 F85 A86 S92 L179 H182A84-G88 PolarHBondContact O-N 3.02Å; F85-G88 PolarHBondContact O-N 3.2Å; F85-G88 VanDerWaalsContact O-N 3.12Å; A86-G88 VanDerWaalsContact C-N 3.32Å; A86-G88 PolarHBondContact O-N 3.47Å; G88-S92 PolarHBondContact O-N 3.26Å; G88-S92 VanDerWaalsContact O-N 3.09Å; G88-L179 WeakPolarHBondContact O-CD2 3.42Å; G88-H182 WeakPolarHBondContact CA-CD2 3.46Å
89I90.7Very high89Confident0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-66.7-47.6174.1-62.3169.7000109.1L66 F69 I70 F85 A86 L87 D91 S92 L93 T136 L179L66-I89 HydrophobicContact CB-CG2 4.24Å; L66-I89 HydrophobicContact CD2-CG2 4.08Å; F69-I89 HydrophobicContact CD1-CD1 3.84Å; F69-I89 HydrophobicContact CE1-CD1 3.77Å; I70-I89 HydrophobicContact CD1-CB 4.32Å; I70-I89 HydrophobicContact CD1-CG2 3.89Å; I70-I89 HydrophobicContact CG1-CB 4.26Å; I70-I89 HydrophobicContact CG1-CG2 4.17Å; F85-I89 HydrophobicContact CD1-CD1 3.99Å; F85-I89 HydrophobicContact CE1-CD1 3.5Å; F85-I89 HydrophobicContact CE1-CG1 4.42Å; F85-I89 HydrophobicContact CE2-CD1 4.33Å; F85-I89 HydrophobicContact CE2-CG1 4.47Å; F85-I89 HydrophobicContact CZ-CD1 3.7Å; F85-I89 HydrophobicContact CZ-CG1 4.29Å; F85-I89 WeakPolarHBondContact O-CG1 3.28Å; F85-I89 PolarHBondContact O-N 3.35Å; A86-I89 PolarHBondContact O-N 3.33Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.45Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.23Å; I89-S92 WeakPolarHBondContact O-CA 3.45Å; I89-S92 WeakPolarHBondContact O-CB 3.27Å; I89-S92 PolarHBondContact O-N 3.21Å; I89-S92 PolarHBondContact O-OG 3.24Å; I89-L93 HydrophobicContact CG2-CD1 4.25Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.45Å; I89-L93 PolarHBondContact O-N 3.44Å; I89-T136 HydrophobicContact CD1-CG2 4.12Å; I89-T136 VanDerWaalsContact CD1-OG1 3.29Å; I89-T136 WeakPolarHBondContact CD1-OG1 3.27Å; I89-L179 HydrophobicContact CB-CD2 4.43Å; I89-L179 HydrophobicContact CG1-CD2 3.76Å; I89-L179 VanDerWaalsContact N-CD2 3.28Å
90D91.3Very high89.2Confident33 Ų3326.4 Ų26.418%0.17615%0.145CC..Hα-helixtrans-54.7-45.6177.4-171.663.3000111.6I70 A86 L87 S92 L93 K94 R97I70-D90 HydrophobicContact CD1-CB 3.92Å; I70-D90 HydrophobicContact CG1-CB 4.42Å; I70-D90 HydrophobicContact CG2-CB 4.21Å; A86-D90 PolarHBondContact O-N 3.04Å; L87-D90 WeakPolarHBondContact O-CB 3.45Å; L87-D90 PolarHBondContact O-N 2.93Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 2.86Å; D90-L93 PolarHBondContact O-N 2.83Å; D90-K94 PolarHBondContact O-N 3.34Å; D90-K94 VanDerWaalsContact O-N 3.14Å; D90-R97 IonicContact OD1-CZ 3.13Å; D90-R97 IonicContact OD1-NH1 3.27Å; D90-R97 PolarHBondContact OD1-NH1 3.03Å; D90-R97 IonicContact OD1-NH2 3.98Å; D90-R97 PolarHBondContact OD1-NH2 3.48Å; D90-R97 IonicContact OD2-NH1 3.53Å
91D89.2Confident89.2Confident37 Ų3728 Ų2820%0.19816%0.158CC..Hα-helixtrans-63.5-27.3176.3-9613.3000114.2L87 I89 K94 K178 H182L87-D91 VanDerWaalsContact O-CB 3.31Å; L87-D91 WeakPolarHBondContact O-CB 3.39Å; L87-D91 PolarHBondContact O-N 2.91Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.23Å; D91-K94 VanDerWaalsContact OD1-CE 3.25Å; D91-K94 WeakPolarHBondContact OD1-CE 3.48Å; D91-K94 IonicContact OD1-NZ 3.53Å; D91-K94 PolarHBondContact OD1-NZ 3.03Å; D91-K178 HydrophobicContact CB-CD 4.43Å; D91-K178 PolarHBondContact O-NZ 3.43Å; D91-K178 IonicContact OD2-NZ 3.94Å; D91-H182 IonicContact OD2-CE1 2.7Å; D91-H182 PolarHBondContact OD2-CE1 3.45Å; D91-H182 IonicContact OD2-NE2 3.45Å; D91-H182 PolarHBondContact OD2-NE2 2.81Å
92S87.2Confident89.2Confident11 Ų1130.4 Ų30.48%0.07717%0.173CC..Hα-helixtrans-78.2-3017374.40000112.9G88 I89 D90G88-S92 PolarHBondContact O-N 3.26Å; G88-S92 VanDerWaalsContact O-N 3.09Å; I89-S92 WeakPolarHBondContact O-CA 3.45Å; I89-S92 WeakPolarHBondContact O-CB 3.27Å; I89-S92 PolarHBondContact O-N 3.21Å; I89-S92 PolarHBondContact O-OG 3.24Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 2.86Å
93L89.8Confident89.1Confident1 Ų130.3 Ų30.31%0.00517%0.172CC..Hα-helixtrans-80-18178.9-65.9-178.7000112.9Y63 L66 I70 I89 D90 A95 Y96 R97 L129Y63-L93 HydrophobicContact CD2-CD1 4.13Å; Y63-L93 HydrophobicContact CD2-CD2 4.1Å; Y63-L93 HydrophobicContact CE2-CB 4.29Å; Y63-L93 HydrophobicContact CE2-CD1 4.02Å; Y63-L93 HydrophobicContact CE2-CD2 4.46Å; Y63-L93 HydrophobicContact CE2-CG 4.5Å; L66-L93 HydrophobicContact CB-CD1 3.93Å; L66-L93 HydrophobicContact CD1-CD2 4.01Å; I70-L93 HydrophobicContact CD1-CD1 3.69Å; I89-L93 HydrophobicContact CG2-CD1 4.25Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.45Å; I89-L93 PolarHBondContact O-N 3.44Å; D90-L93 PolarHBondContact O-N 2.83Å; L93-A95 VanDerWaalsContact C-N 3.28Å; L93-A95 PolarHBondContact O-N 3.48Å; L93-Y96 WeakPolarHBondContact O-CB 3.42Å; L93-Y96 PolarHBondContact O-N 3.5Å; L93-Y96 VanDerWaalsContact O-N 3.08Å; L93-R97 WeakPolarHBondContact O-CG 3.48Å; L93-R97 PolarHBondContact O-N 3.17Å; L93-L129 HydrophobicContact CD2-CD2 3.49Å; L93-L129 VanDerWaalsContact CD2-CD2 3.49Å
94K90Very high89Confident102 Ų10233.4 Ų33.444%0.44319%0.185SC..Hα-helixtrans-52.2-43.6176.9-75.5177.1-177.8169.40113.1D90 D91 R97 T98D90-K94 PolarHBondContact O-N 3.34Å; D90-K94 VanDerWaalsContact O-N 3.14Å; D91-K94 VanDerWaalsContact OD1-CE 3.25Å; D91-K94 WeakPolarHBondContact OD1-CE 3.48Å; D91-K94 IonicContact OD1-NZ 3.53Å; D91-K94 PolarHBondContact OD1-NZ 3.03Å; K94-R97 PolarHBondContact O-N 3.31Å; K94-T98 WeakPolarHBondContact O-CG2 3.47Å; K94-T98 PolarHBondContact O-N 3.43Å; K94-T98 PolarHBondContact O-OG1 3.38Å; K94-T98 VanDerWaalsContact O-OG1 3.12Å
95A87.5Confident88.8Confident47 Ų4736.8 Ų36.839%0.38821%0.205SC..Hα-helixtrans-63.1-42.9178.200000112.1L93 T98 D99 Y125L93-A95 VanDerWaalsContact C-N 3.28Å; L93-A95 PolarHBondContact O-N 3.48Å; A95-T98 WeakPolarHBondContact CA-OG1 3.43Å; A95-T98 PolarHBondContact O-N 3.08Å; A95-T98 PolarHBondContact O-OG1 3.03Å; A95-D99 PolarHBondContact O-N 2.59Å; A95-Y125 PolarHBondContact O-OH 3.48Å
96Y89.7Confident88.6Confident1 Ų139.7 Ų39.70%0.00422%0.219CC..Hα-helixtrans-62.6-45.8175.7177.4-105.6000111.6L9 Y63 L93 T98 D99 L100 L122 Y125 L129L9-Y96 PolarHBondContact O-OH 2.73Å; Y63-Y96 HydrophobicContact CD1-CE1 4.46Å; Y63-Y96 AromaticContact CD2-CD1 3.44Å; Y63-Y96 HydrophobicContact CD2-CD1 3.44Å; Y63-Y96 VanDerWaalsContact CD2-CD1 3.44Å; Y63-Y96 AromaticContact CD2-CE1 3.45Å; Y63-Y96 HydrophobicContact CD2-CE1 3.45Å; Y63-Y96 VanDerWaalsContact CD2-CE1 3.45Å; Y63-Y96 AromaticContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CE1 4.05Å; Y63-Y96 HydrophobicContact CG-CD1 4.17Å; Y63-Y96 AromaticContact CG-CE1 3.68Å; Y63-Y96 HydrophobicContact CG-CE1 3.68Å; L93-Y96 WeakPolarHBondContact O-CB 3.42Å; L93-Y96 PolarHBondContact O-N 3.5Å; L93-Y96 VanDerWaalsContact O-N 3.08Å; Y96-T98 PolarHBondContact O-N 3.3Å; Y96-D99 PolarHBondContact O-N 2.94Å; Y96-L100 HydrophobicContact CD1-CD1 3.92Å; Y96-L100 HydrophobicContact CD1-CG 4.38Å; Y96-L100 HydrophobicContact CE1-CD1 3.33Å; Y96-L100 HydrophobicContact CE1-CG 4.02Å; Y96-L100 HydrophobicContact CE2-CD1 4.43Å; Y96-L100 HydrophobicContact CE2-CD2 4.39Å; Y96-L100 HydrophobicContact CE2-CG 4.31Å; Y96-L100 WeakPolarHBondContact O-CG 3.46Å; Y96-L100 PolarHBondContact O-N 2.87Å; Y96-L122 HydrophobicContact CD2-CD2 4.15Å; Y96-L122 HydrophobicContact CE2-CD1 4.45Å; Y96-L122 HydrophobicContact CE2-CD2 3.84Å; Y96-Y125 AromaticContact CD2-CD1 3.87Å; Y96-Y125 HydrophobicContact CD2-CD1 3.87Å; Y96-Y125 AromaticContact CD2-CD2 3.7Å; Y96-Y125 HydrophobicContact CD2-CD2 3.7Å; Y96-Y125 HydrophobicContact CD2-CE1 4.23Å; Y96-Y125 HydrophobicContact CD2-CE2 4.05Å; Y96-Y125 AromaticContact CD2-CG 3.6Å; Y96-Y125 HydrophobicContact CD2-CG 3.6Å; Y96-Y125 HydrophobicContact CE2-CD2 4.35Å; Y96-Y125 HydrophobicContact CE2-CG 4.31Å; Y96-Y125 HydrophobicContact CG-CD1 4.37Å; Y96-Y125 HydrophobicContact CG-CE1 4.48Å; Y96-Y125 PolarHBondContact N-OH 2.66Å; Y96-L129 HydrophobicContact CD2-CD1 4.33Å; Y96-L129 HydrophobicContact CE2-CD1 4.13Å
97R90.6Very high88.2Confident48 Ų4841 Ų4118%0.18123%0.225CC..Hα-helixtrans-60.7-43.2176.8-67.4175.1-171.5145.90.8111.6Y63 D90 L93 K94 L100 C101Y63-R97 HydrophobicContact CE2-CG 3.98Å; Y63-R97 WeakPolarHBondContact OH-CG 3.35Å; Y63-R97 PolarHBondContact OH-NE 3.06Å; D90-R97 IonicContact OD1-CZ 3.13Å; D90-R97 IonicContact OD1-NH1 3.27Å; D90-R97 PolarHBondContact OD1-NH1 3.03Å; D90-R97 IonicContact OD1-NH2 3.98Å; D90-R97 PolarHBondContact OD1-NH2 3.48Å; D90-R97 IonicContact OD2-NH1 3.53Å; L93-R97 WeakPolarHBondContact O-CG 3.48Å; L93-R97 PolarHBondContact O-N 3.17Å; K94-R97 PolarHBondContact O-N 3.31Å; R97-L100 PolarHBondContact O-N 3.31Å; R97-C101 PolarHBondContact O-N 3.03Å; R97-C101 PolarHBondContact O-SG 3.2Å; R97-C101 VanDerWaalsContact O-SG 3.34Å
98T90.4Very high87.9Confident84 Ų8442.5 Ų42.552%0.51523%0.234SC..Hα-helixtrans-65-41.4176.649.40000112.1K94 A95 Y96 L100 C101 T102K94-T98 WeakPolarHBondContact O-CG2 3.47Å; K94-T98 PolarHBondContact O-N 3.43Å; K94-T98 PolarHBondContact O-OG1 3.38Å; K94-T98 VanDerWaalsContact O-OG1 3.12Å; A95-T98 WeakPolarHBondContact CA-OG1 3.43Å; A95-T98 PolarHBondContact O-N 3.08Å; A95-T98 PolarHBondContact O-OG1 3.03Å; Y96-T98 PolarHBondContact O-N 3.3Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.9Å; T98-C101 PolarHBondContact O-N 3Å; T98-T102 WeakPolarHBondContact O-CG2 3.45Å; T98-T102 PolarHBondContact O-N 3.27Å
99D88.1Confident87.6Confident31 Ų3150.4 Ų50.417%0.16627%0.273CS..Hα-helixtrans-64.8-38.7176.7-80.8-37.2000111.4A95 Y96 T102 L103 R121 Y125A95-D99 PolarHBondContact O-N 2.59Å; Y96-D99 PolarHBondContact O-N 2.94Å; D99-T102 WeakPolarHBondContact CA-OG1 3.32Å; D99-T102 PolarHBondContact O-N 3.07Å; D99-T102 PolarHBondContact O-OG1 2.71Å; D99-L103 WeakPolarHBondContact O-CB 3.15Å; D99-L103 WeakPolarHBondContact O-CG 3.3Å; D99-L103 PolarHBondContact O-N 3.35Å; D99-R121 IonicContact OD1-CZ 2.66Å; D99-R121 IonicContact OD1-NH1 3.7Å; D99-R121 IonicContact OD1-NH2 2.75Å; D99-R121 PolarHBondContact OD1-NH2 2.97Å; D99-Y125 HydrophobicContact CB-CE2 4.32Å; D99-Y125 VanDerWaalsContact OD2-CE2 3.31Å; D99-Y125 WeakPolarHBondContact OD2-CE2 3.34Å; D99-Y125 PolarHBondContact OD2-OH 3.26Å
100L87.3Confident87.2Confident9 Ų954 Ų545%0.04729%0.291CS..Hα-helixtrans-61.6-43.3172.7-73.3-176.9000112.6L9 Y96 R97 T98 L103 E104 L122L9-L100 HydrophobicContact CB-CD1 4.3Å; L9-L100 HydrophobicContact CB-CD2 3.92Å; L9-L100 HydrophobicContact CD1-CD2 4.09Å; Y96-L100 HydrophobicContact CD1-CD1 3.92Å; Y96-L100 HydrophobicContact CD1-CG 4.38Å; Y96-L100 HydrophobicContact CE1-CD1 3.33Å; Y96-L100 HydrophobicContact CE1-CG 4.02Å; Y96-L100 HydrophobicContact CE2-CD1 4.43Å; Y96-L100 HydrophobicContact CE2-CD2 4.39Å; Y96-L100 HydrophobicContact CE2-CG 4.31Å; Y96-L100 WeakPolarHBondContact O-CG 3.46Å; Y96-L100 PolarHBondContact O-N 2.87Å; R97-L100 PolarHBondContact O-N 3.31Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.9Å; L100-L103 HydrophobicContact CD2-CD1 4.48Å; L100-L103 WeakPolarHBondContact O-CB 3.37Å; L100-L103 PolarHBondContact O-N 3.07Å; L100-E104 PolarHBondContact O-N 3.18Å; L100-L122 HydrophobicContact CD2-CD1 3.93Å; L100-L122 HydrophobicContact CD2-CD2 4.11Å
101C87Confident86.4Confident70 Ų7056.8 Ų56.847%0.47332%0.319SS..Hα-helixtrans-63.8-40.4174.9-67.40000111.7R97 T98 L103 E104 T105R97-C101 PolarHBondContact O-N 3.03Å; R97-C101 PolarHBondContact O-SG 3.2Å; R97-C101 VanDerWaalsContact O-SG 3.34Å; T98-C101 PolarHBondContact O-N 3Å; C101-L103 VanDerWaalsContact C-N 3.35Å; C101-E104 WeakPolarHBondContact O-CB 3.45Å; C101-E104 PolarHBondContact O-N 3.04Å; C101-T105 WeakPolarHBondContact O-CG2 3.42Å; C101-T105 PolarHBondContact O-N 3.47Å; C101-T105 PolarHBondContact O-OG1 3.47Å
102T88.1Confident85.8Confident51 Ų5162.2 Ų62.231%0.31335%0.348SS..Hα-helixtrans-63.9-41.7175.360.80000111.6T98 D99 E104 T105 E106 R121T98-T102 WeakPolarHBondContact O-CG2 3.45Å; T98-T102 PolarHBondContact O-N 3.27Å; D99-T102 WeakPolarHBondContact CA-OG1 3.32Å; D99-T102 PolarHBondContact O-N 3.07Å; D99-T102 PolarHBondContact O-OG1 2.71Å; T102-E104 VanDerWaalsContact C-N 3.33Å; T102-E104 PolarHBondContact O-N 3.47Å; T102-T105 WeakPolarHBondContact CA-OG1 3.44Å; T102-T105 PolarHBondContact O-N 2.96Å; T102-T105 PolarHBondContact O-OG1 3.22Å; T102-E106 WeakPolarHBondContact O-CB 3.45Å; T102-E106 VanDerWaalsContact O-CG 3.31Å; T102-E106 WeakPolarHBondContact O-CG 3.32Å; T102-E106 PolarHBondContact O-N 2.98Å; T102-R121 PolarHBondContact OG1-NH2 2.85Å
103L85.9Confident85.3Confident0 Ų063.4 Ų63.40%035%0.354CS..Hα-helixtrans-61.2-41.2174.9-81.3169.9000111.9L6 D99 L100 C101 T105 E106 L107 I118 R121 L122L6-L103 HydrophobicContact CD2-CB 4.41Å; D99-L103 WeakPolarHBondContact O-CB 3.15Å; D99-L103 WeakPolarHBondContact O-CG 3.3Å; D99-L103 PolarHBondContact O-N 3.35Å; L100-L103 HydrophobicContact CD2-CD1 4.48Å; L100-L103 WeakPolarHBondContact O-CB 3.37Å; L100-L103 PolarHBondContact O-N 3.07Å; C101-L103 VanDerWaalsContact C-N 3.35Å; L103-T105 VanDerWaalsContact C-N 3.35Å; L103-E106 PolarHBondContact O-N 3.08Å; L103-L107 WeakPolarHBondContact O-CB 3.22Å; L103-L107 WeakPolarHBondContact O-CD1 3.13Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.25Å; L103-I118 HydrophobicContact CD1-CG2 4.37Å; L103-I118 HydrophobicContact CD2-CG1 4.5Å; L103-R121 HydrophobicContact CD1-CB 4.03Å; L103-R121 HydrophobicContact CD2-CB 3.83Å; L103-R121 HydrophobicContact CD2-CG 3.77Å; L103-R121 HydrophobicContact CG-CB 4.2Å; L103-R121 HydrophobicContact CG-CG 4.49Å; L103-L122 HydrophobicContact CD1-CD1 4.18Å; L103-L122 HydrophobicContact CD1-CD2 3.84Å; L103-L122 HydrophobicContact CD1-CG 3.81Å
104E85.5Confident84.8Confident79 Ų7964.7 Ų64.737%0.36937%0.367SS..Hα-helixtrans-59.5-46.6173.8-175.3176.5-156.200111H3 L6 L100 C101 T102 E106 L107 L108H3-E104 IonicContact CE1-OE1 2.74Å; L6-E104 HydrophobicContact CD1-CB 3.98Å; L6-E104 HydrophobicContact CD1-CG 4.13Å; L100-E104 PolarHBondContact O-N 3.18Å; C101-E104 WeakPolarHBondContact O-CB 3.45Å; C101-E104 PolarHBondContact O-N 3.04Å; T102-E104 VanDerWaalsContact C-N 3.33Å; T102-E104 PolarHBondContact O-N 3.47Å; E104-E106 PolarHBondContact O-N 2.94Å; E104-L107 PolarHBondContact O-N 2.83Å; E104-L108 HydrophobicContact CG-CD1 4.21Å; E104-L108 WeakPolarHBondContact O-CB 3.38Å; E104-L108 WeakPolarHBondContact O-CG 3.44Å; E104-L108 PolarHBondContact O-N 3.5Å
105T86.4Confident84.2Confident79 Ų7960 Ų6049%0.48535%0.347SS..Hα-helixtrans-65.1-39.117759.20000112.9C101 T102 L103 L108 M109C101-T105 WeakPolarHBondContact O-CG2 3.42Å; C101-T105 PolarHBondContact O-N 3.47Å; C101-T105 PolarHBondContact O-OG1 3.47Å; T102-T105 WeakPolarHBondContact CA-OG1 3.44Å; T102-T105 PolarHBondContact O-N 2.96Å; T102-T105 PolarHBondContact O-OG1 3.22Å; L103-T105 VanDerWaalsContact C-N 3.35Å; T105-L108 PolarHBondContact O-N 3.26Å; T105-M109 VanDerWaalsContact O-CG 3.28Å; T105-M109 WeakPolarHBondContact O-CG 3.44Å; T105-M109 PolarHBondContact O-N 3.16Å; T105-M109 VanDerWaalsContact O-N 3.08Å
106E86.1Confident83.9Confident61 Ų6161.6 Ų61.629%0.28536%0.355SS..Hα-helixtrans-64.6-46.3177.9-74.6172.5-168.300111T102 L103 E104 L108 M109 D110 L113 H117T102-E106 WeakPolarHBondContact O-CB 3.45Å; T102-E106 VanDerWaalsContact O-CG 3.31Å; T102-E106 WeakPolarHBondContact O-CG 3.32Å; T102-E106 PolarHBondContact O-N 2.98Å; L103-E106 PolarHBondContact O-N 3.08Å; E104-E106 PolarHBondContact O-N 2.94Å; E106-L108 VanDerWaalsContact C-N 3.26Å; E106-L108 PolarHBondContact O-N 2.97Å; E106-M109 PolarHBondContact O-N 2.91Å; E106-M109 VanDerWaalsContact O-N 3.09Å; E106-D110 PolarHBondContact O-N 2.94Å; E106-L113 HydrophobicContact CB-CD1 3.94Å; E106-L113 WeakPolarHBondContact O-CD1 3.44Å; E106-H117 IonicContact OE2-CD2 3.82Å; E106-H117 IonicContact OE2-CE1 2.81Å; E106-H117 IonicContact OE2-NE2 3.9Å; E106-H117 PolarHBondContact OE2-NE2 2.81Å
107L81.9Confident83.6Confident26 Ų2663.8 Ų63.814%0.13637%0.365CS..Hα-helixtrans-65.9-26.7177.5-71.8163.9000113.1L2 L6 L103 E104 L113 I118L2-L107 HydrophobicContact CD1-CD2 4.21Å; L6-L107 HydrophobicContact CD1-CD1 3.76Å; L6-L107 HydrophobicContact CD2-CD1 4.12Å; L6-L107 HydrophobicContact CG-CD1 4.14Å; L103-L107 WeakPolarHBondContact O-CB 3.22Å; L103-L107 WeakPolarHBondContact O-CD1 3.13Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.25Å; E104-L107 PolarHBondContact O-N 2.83Å; L107-L113 HydrophobicContact CD2-CB 3.9Å; L107-L113 WeakPolarHBondContact CD2-O 3.4Å; L107-I118 HydrophobicContact CD1-CD1 3.81Å; L107-I118 HydrophobicContact CD1-CG1 4.15Å; L107-I118 HydrophobicContact CD2-CD1 4.47Å
108L82.9Confident83.3Confident123 Ų12361.5 Ų61.564%0.64436%0.357SS*.Hα-helixtrans-77-28.6172.5-72.4171.6000112.7E104 T105 E106E104-L108 HydrophobicContact CG-CD1 4.21Å; E104-L108 WeakPolarHBondContact O-CB 3.38Å; E104-L108 WeakPolarHBondContact O-CG 3.44Å; E104-L108 PolarHBondContact O-N 3.5Å; T105-L108 PolarHBondContact O-N 3.26Å; E106-L108 VanDerWaalsContact C-N 3.26Å; E106-L108 PolarHBondContact O-N 2.97Å
109M84.2Confident82.9Confident166 Ų16658 Ų5882%0.81834%0.336SS*.Hα-helixtrans-85.2-38179.4-68-60.9100.400112.7T105 E106T105-M109 VanDerWaalsContact O-CG 3.28Å; T105-M109 WeakPolarHBondContact O-CG 3.44Å; T105-M109 PolarHBondContact O-N 3.16Å; T105-M109 VanDerWaalsContact O-N 3.08Å; E106-M109 PolarHBondContact O-N 2.91Å; E106-M109 VanDerWaalsContact O-N 3.09Å
110D81.1Confident82.8Confident74 Ų7464.9 Ų64.940%0.39636%0.361SS..  trans-130.2106.1-177.3-172.4-2.1000110.6E106 D112 L113E106-D110 PolarHBondContact O-N 2.94Å; D110-D112 PolarHBondContact O-N 3.31Å; D110-D112 WeakPolarHBondContact OD1-CB 3.18Å; D110-D112 PolarHBondContact OD1-N 2.97Å; D110-L113 HydrophobicContact CB-CD1 3.78Å; D110-L113 HydrophobicContact CB-CG 3.98Å; D110-L113 PolarHBondContact O-N 3.46Å
111A74.7Confident82.7Confident92 Ų9268.1 Ų68.176%0.7637%0.373SS*.THydrogen-bonded Turntrans-73.5-11.6-179.600000113.2L113A111-L113 VanDerWaalsContact C-N 3.27Å
112D76.9Confident82.6Confident151 Ų15164.8 Ų64.881%0.80735%0.35SS*.THydrogen-bonded Turntrans-82.1-7.7179.2-64.9-18.9000112.1D110 G114D110-D112 PolarHBondContact O-N 3.31Å; D110-D112 WeakPolarHBondContact OD1-CB 3.18Å; D110-D112 PolarHBondContact OD1-N 2.97Å; D112-G114 PolarHBondContact O-N 3.42Å; D112-G114 VanDerWaalsContact O-N 3.12Å
113L76.9Confident82.6Confident37 Ų3768 Ų6819%0.19436%0.361CS..  trans-71.1103.2175.5-67.5168.9000110.9E106 L107 D110 A111 H117E106-L113 HydrophobicContact CB-CD1 3.94Å; E106-L113 WeakPolarHBondContact O-CD1 3.44Å; L107-L113 HydrophobicContact CD2-CB 3.9Å; L107-L113 WeakPolarHBondContact CD2-O 3.4Å; D110-L113 HydrophobicContact CB-CD1 3.78Å; D110-L113 HydrophobicContact CB-CG 3.98Å; D110-L113 PolarHBondContact O-N 3.46Å; A111-L113 VanDerWaalsContact C-N 3.27Å; L113-H117 HydrophobicContact CD2-CB 4.2Å
114G79.4Confident82.5Confident28 Ų2871.6 Ų71.629%0.28939%0.386SS..  trans-80.2179.817800000115.2D112 S116 H117D112-G114 PolarHBondContact O-N 3.42Å; D112-G114 VanDerWaalsContact O-N 3.12Å; G114-S116 PolarHBondContact O-N 3.08Å; G114-S116 VanDerWaalsContact O-N 3.13Å; G114-H117 WeakPolarHBondContact O-CB 3.1Å; G114-H117 PolarHBondContact O-N 2.93Å
115V77.9Confident82.6Confident4 Ų468.6 Ų68.62%0.02437%0.372CS..Hα-helixtrans-57.2-28.8178.3-1730000112.7L2 L5 L52 Y53 L56 H117 I118 S119L2-V115 HydrophobicContact CD2-CG2 3.72Å; L5-V115 HydrophobicContact CD2-CG1 4.49Å; L52-V115 HydrophobicContact CB-CG1 3.85Å; L52-V115 HydrophobicContact CD1-CG1 4.49Å; Y53-V115 HydrophobicContact CD1-CG1 4.48Å; Y53-V115 HydrophobicContact CE1-CG1 4.37Å; Y53-V115 HydrophobicContact CE1-CG2 3.94Å; Y53-V115 HydrophobicContact CE2-CG2 3.79Å; Y53-V115 WeakPolarHBondContact OH-CG2 3.32Å; L56-V115 HydrophobicContact CD1-CG1 3.75Å; V115-H117 VanDerWaalsContact C-N 3.31Å; V115-H117 PolarHBondContact O-N 3.47Å; V115-I118 PolarHBondContact O-N 3.47Å; V115-S119 PolarHBondContact O-N 3.21Å
116S80.5Confident82.5Confident80 Ų8067.1 Ų67.156%0.55936%0.358SS*.Hα-helixtrans-60-38.417652.30000112.6G114 S119 Y120G114-S116 PolarHBondContact O-N 3.08Å; G114-S116 VanDerWaalsContact O-N 3.13Å; S116-S119 PolarHBondContact O-N 3.44Å; S116-Y120 WeakPolarHBondContact O-CB 3.47Å; S116-Y120 PolarHBondContact O-N 2.83Å
117H83.8Confident82.4Confident46 Ų4668.3 Ų68.321%0.21337%0.366CS..Hα-helixtrans-67.2-43.2177-176.764.7000111.8E106 L113 G114 V115 S119 Y120 R121E106-H117 IonicContact OE2-CD2 3.82Å; E106-H117 IonicContact OE2-CE1 2.81Å; E106-H117 IonicContact OE2-NE2 3.9Å; E106-H117 PolarHBondContact OE2-NE2 2.81Å; L113-H117 HydrophobicContact CD2-CB 4.2Å; G114-H117 WeakPolarHBondContact O-CB 3.1Å; G114-H117 PolarHBondContact O-N 2.93Å; V115-H117 VanDerWaalsContact C-N 3.31Å; V115-H117 PolarHBondContact O-N 3.47Å; H117-S119 PolarHBondContact O-N 3.42Å; H117-Y120 WeakPolarHBondContact O-CB 3.46Å; H117-Y120 PolarHBondContact O-N 3.06Å; H117-R121 PolarHBondContact O-N 3.4Å
118I83.4Confident82.6Confident0 Ų068 Ų680%037%0.365CS..Hα-helixtrans-60.2-47.8174.9-58.3176.4000110.3L2 L5 L9 L56 L103 L107 V115 Y120 R121 L122L2-I118 HydrophobicContact CD2-CD1 3.9Å; L5-I118 HydrophobicContact CD2-CD1 4.03Å; L9-I118 HydrophobicContact CD1-CG2 4.02Å; L56-I118 HydrophobicContact CD1-CB 4.29Å; L56-I118 HydrophobicContact CD1-CG2 3.86Å; L56-I118 HydrophobicContact CD2-CG2 4.11Å; L103-I118 HydrophobicContact CD1-CG2 4.37Å; L103-I118 HydrophobicContact CD2-CG1 4.5Å; L107-I118 HydrophobicContact CD1-CD1 3.81Å; L107-I118 HydrophobicContact CD1-CG1 4.15Å; L107-I118 HydrophobicContact CD2-CD1 4.47Å; V115-I118 PolarHBondContact O-N 3.47Å; I118-Y120 VanDerWaalsContact C-N 3.29Å; I118-Y120 PolarHBondContact O-N 3.02Å; I118-R121 PolarHBondContact O-N 3.46Å; I118-L122 HydrophobicContact CG2-CD1 3.81Å; I118-L122 HydrophobicContact CG2-CG 4.44Å; I118-L122 WeakPolarHBondContact O-CB 3.34Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 2.89Å
119S83.1Confident82.9Confident11 Ų1162.2 Ų62.28%0.07733%0.334CS..Hα-helixtrans-62.2-35.5177.7178.60000112.7V115 S116 H117 H123 K126V115-S119 PolarHBondContact O-N 3.21Å; S116-S119 PolarHBondContact O-N 3.44Å; H117-S119 PolarHBondContact O-N 3.42Å; S119-H123 PolarHBondContact O-N 3.34Å; S119-K126 PolarHBondContact OG-NZ 3.39Å
120Y86.3Confident83Confident176 Ų17656.1 Ų56.169%0.6931%0.307SS*.Hα-helixtrans-66.4-51.5175.2171.6-105.4000111.9S116 H117 I118 L122 H123S116-Y120 WeakPolarHBondContact O-CB 3.47Å; S116-Y120 PolarHBondContact O-N 2.83Å; H117-Y120 WeakPolarHBondContact O-CB 3.46Å; H117-Y120 PolarHBondContact O-N 3.06Å; I118-Y120 VanDerWaalsContact C-N 3.29Å; I118-Y120 PolarHBondContact O-N 3.02Å; Y120-L122 VanDerWaalsContact C-N 3.29Å; Y120-L122 PolarHBondContact O-N 3.27Å; Y120-H123 VanDerWaalsContact O-CB 3.27Å; Y120-H123 WeakPolarHBondContact O-CB 3.49Å; Y120-H123 PolarHBondContact O-N 3.27Å
121R84.3Confident83.2Confident77 Ų7753.7 Ų53.729%0.29130%0.295SS..Hα-helixtrans-63.1-35.9-179.7-71.1-74.9-73135.210112.2D99 T102 L103 H117 I118D99-R121 IonicContact OD1-CZ 2.66Å; D99-R121 IonicContact OD1-NH1 3.7Å; D99-R121 IonicContact OD1-NH2 2.75Å; D99-R121 PolarHBondContact OD1-NH2 2.97Å; T102-R121 PolarHBondContact OG1-NH2 2.85Å; L103-R121 HydrophobicContact CD1-CB 4.03Å; L103-R121 HydrophobicContact CD2-CB 3.83Å; L103-R121 HydrophobicContact CD2-CG 3.77Å; L103-R121 HydrophobicContact CG-CB 4.2Å; L103-R121 HydrophobicContact CG-CG 4.49Å; H117-R121 PolarHBondContact O-N 3.4Å; I118-R121 PolarHBondContact O-N 3.46Å
122L86.4Confident83.8Confident0 Ų049.4 Ų49.40%026%0.259CS..THydrogen-bonded Turntrans-89.54.2-179.5-60.7-179.3000114.5L9 L56 L59 Y96 L100 L103 I118 Y120 S124 Y125L9-L122 HydrophobicContact CD1-CD1 3.77Å; L9-L122 HydrophobicContact CD2-CD1 4.1Å; L56-L122 HydrophobicContact CD2-CB 4.33Å; L56-L122 HydrophobicContact CD2-CD1 3.97Å; L59-L122 HydrophobicContact CD1-CB 3.98Å; Y96-L122 HydrophobicContact CD2-CD2 4.15Å; Y96-L122 HydrophobicContact CE2-CD1 4.45Å; Y96-L122 HydrophobicContact CE2-CD2 3.84Å; L100-L122 HydrophobicContact CD2-CD1 3.93Å; L100-L122 HydrophobicContact CD2-CD2 4.11Å; L103-L122 HydrophobicContact CD1-CD1 4.18Å; L103-L122 HydrophobicContact CD1-CD2 3.84Å; L103-L122 HydrophobicContact CD1-CG 3.81Å; I118-L122 HydrophobicContact CG2-CD1 3.81Å; I118-L122 HydrophobicContact CG2-CG 4.44Å; I118-L122 WeakPolarHBondContact O-CB 3.34Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 2.89Å; Y120-L122 VanDerWaalsContact C-N 3.29Å; Y120-L122 PolarHBondContact O-N 3.27Å; L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 3Å; L122-Y125 HydrophobicContact CD2-CD2 4.01Å; L122-Y125 HydrophobicContact CD2-CE2 4.29Å; L122-Y125 PolarHBondContact O-N 3.03Å; L122-Y125 VanDerWaalsContact O-N 3.11Å
123H86.1Confident84.3Confident118 Ų11842.2 Ų42.255%0.54622%0.221SC..THydrogen-bonded Turntrans-59.1-39.3-173.1-175.572.6000113.5S119 Y120 Y125 K126S119-H123 PolarHBondContact O-N 3.34Å; Y120-H123 VanDerWaalsContact O-CB 3.27Å; Y120-H123 WeakPolarHBondContact O-CB 3.49Å; Y120-H123 PolarHBondContact O-N 3.27Å; H123-Y125 PolarHBondContact O-N 2.91Å; H123-K126 WeakPolarHBondContact O-CB 3.48Å; H123-K126 PolarHBondContact O-N 3Å
124S84.6Confident84.7Confident76 Ų7647.7 Ų47.753%0.53124%0.243SC..THydrogen-bonded Turntrans-60.4-32.7178.752.30000112.9L122 K126L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 3Å; S124-K126 VanDerWaalsContact C-N 3.34Å
125Y87.6Confident85Confident16 Ų1646.4 Ų46.46%0.06323%0.23CC..Hα-helixtrans-78.3-17.6-178.1-58.2-74.6000113.3A95 Y96 D99 L122 H123 I127 L128 L129A95-Y125 PolarHBondContact O-OH 3.48Å; Y96-Y125 AromaticContact CD2-CD1 3.87Å; Y96-Y125 HydrophobicContact CD2-CD1 3.87Å; Y96-Y125 AromaticContact CD2-CD2 3.7Å; Y96-Y125 HydrophobicContact CD2-CD2 3.7Å; Y96-Y125 HydrophobicContact CD2-CE1 4.23Å; Y96-Y125 HydrophobicContact CD2-CE2 4.05Å; Y96-Y125 AromaticContact CD2-CG 3.6Å; Y96-Y125 HydrophobicContact CD2-CG 3.6Å; Y96-Y125 HydrophobicContact CE2-CD2 4.35Å; Y96-Y125 HydrophobicContact CE2-CG 4.31Å; Y96-Y125 HydrophobicContact CG-CD1 4.37Å; Y96-Y125 HydrophobicContact CG-CE1 4.48Å; Y96-Y125 PolarHBondContact N-OH 2.66Å; D99-Y125 HydrophobicContact CB-CE2 4.32Å; D99-Y125 VanDerWaalsContact OD2-CE2 3.31Å; D99-Y125 WeakPolarHBondContact OD2-CE2 3.34Å; D99-Y125 PolarHBondContact OD2-OH 3.26Å; L122-Y125 HydrophobicContact CD2-CD2 4.01Å; L122-Y125 HydrophobicContact CD2-CE2 4.29Å; L122-Y125 PolarHBondContact O-N 3.03Å; L122-Y125 VanDerWaalsContact O-N 3.11Å; H123-Y125 PolarHBondContact O-N 2.91Å; Y125-I127 PolarHBondContact O-N 2.9Å; Y125-L128 HydrophobicContact CD1-CD2 4.12Å; Y125-L128 HydrophobicContact CE1-CD2 4.42Å; Y125-L128 PolarHBondContact O-N 3.28Å; Y125-L129 PolarHBondContact O-N 3.24Å
126K84.2Confident85.5Confident47 Ų4746.3 Ų46.320%0.20423%0.229CC..Hα-helixtrans-59.2-28.8177.3-66.8-171.8-179-174.40113.2E55 L59 S119 H123 S124 P130E55-K126 IonicContact OE2-NZ 3.72Å; E55-K126 PolarHBondContact OE2-NZ 3.24Å; L59-K126 HydrophobicContact CD1-CG 4.01Å; L59-K126 HydrophobicContact CD2-CB 4.34Å; L59-K126 HydrophobicContact CD2-CG 4.04Å; L59-K126 HydrophobicContact CG-CG 4.37Å; S119-K126 PolarHBondContact OG-NZ 3.39Å; H123-K126 WeakPolarHBondContact O-CB 3.48Å; H123-K126 PolarHBondContact O-N 3Å; S124-K126 VanDerWaalsContact C-N 3.34Å; K126-P130 WeakPolarHBondContact O-CD 3.39Å; K126-P130 VanDerWaalsContact O-CG 3.28Å; K126-P130 WeakPolarHBondContact O-CG 3.46Å
127I84.2Confident85.8Confident86 Ų8645.6 Ų45.644%0.44122%0.216SC..Hα-helixtrans-95.4-38.6176.1-60171.3000110.4Y125 V131 L169 P172Y125-I127 PolarHBondContact O-N 2.9Å; I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.34Å; I127-L169 HydrophobicContact CG2-CD1 3.83Å; I127-P172 HydrophobicContact CG2-CG 3.9Å
128L85.9Confident85.8Confident21 Ų2147.1 Ų47.111%0.1122%0.222CC..Hα-helixtrans-69-51.5-172.5177.360000113.2Y125 V131 L132 P172 T175Y125-L128 HydrophobicContact CD1-CD2 4.12Å; Y125-L128 HydrophobicContact CE1-CD2 4.42Å; Y125-L128 PolarHBondContact O-N 3.28Å; L128-V131 PolarHBondContact O-N 3.12Å; L128-L132 HydrophobicContact CD1-CD1 4.25Å; L128-L132 HydrophobicContact CD1-CG 4.25Å; L128-L132 HydrophobicContact CG-CD1 4.17Å; L128-L132 PolarHBondContact O-N 2.65Å; L128-P172 HydrophobicContact CD1-CB 4.38Å; L128-T175 HydrophobicContact CD1-CG2 4.01Å; L128-T175 WeakPolarHBondContact CD1-OG1 3.4Å
129L88.6Confident85.8Confident1 Ų147.1 Ų47.11%0.00522%0.222CC..Hα-helixtrans-64.1-43.9-173.9-65.8178.4000112.4L59 C62 L66 L93 Y96 Y125 V131 L132 V133L59-L129 HydrophobicContact CB-CD1 4.32Å; L59-L129 HydrophobicContact CD2-CD1 4.19Å; C62-L129 HydrophobicContact CB-CB 3.8Å; L66-L129 HydrophobicContact CD1-CD2 3.96Å; L93-L129 HydrophobicContact CD2-CD2 3.49Å; L93-L129 VanDerWaalsContact CD2-CD2 3.49Å; Y96-L129 HydrophobicContact CD2-CD1 4.33Å; Y96-L129 HydrophobicContact CE2-CD1 4.13Å; Y125-L129 PolarHBondContact O-N 3.24Å; L129-V131 VanDerWaalsContact C-N 3.3Å; L129-V131 PolarHBondContact O-N 3.1Å; L129-L132 HydrophobicContact CD2-CD1 4.35Å; L129-L132 WeakPolarHBondContact O-CB 3.47Å; L129-L132 PolarHBondContact O-N 3.38Å; L129-V133 WeakPolarHBondContact O-CG2 3.36Å; L129-V133 PolarHBondContact O-N 3.01Å
130P86.6Confident85.8Confident37 Ų3748.1 Ų48.124%0.2423%0.225CC..Hα-helixtrans-56.7-40173.1-32.241.1000114.3L29 K126 V133 K134L29-P130 HydrophobicContact CD2-CB 3.69Å; L29-P130 HydrophobicContact CD2-CG 4.22Å; K126-P130 WeakPolarHBondContact O-CD 3.39Å; K126-P130 VanDerWaalsContact O-CG 3.28Å; K126-P130 WeakPolarHBondContact O-CG 3.46Å; P130-V133 PolarHBondContact O-N 3.15Å; P130-K134 WeakPolarHBondContact O-CB 3.38Å; P130-K134 PolarHBondContact O-N 2.84Å
131V85.3Confident85.6Confident24 Ų2444 Ų4415%0.14522%0.215CC..Hα-helixtrans-65.5-44.3177.2173.60000110.5I127 L128 L129 K134 V135 P166 P172 I176I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.34Å; L128-V131 PolarHBondContact O-N 3.12Å; L129-V131 VanDerWaalsContact C-N 3.3Å; L129-V131 PolarHBondContact O-N 3.1Å; V131-K134 PolarHBondContact O-N 3.18Å; V131-V135 HydrophobicContact CG1-CG2 4.43Å; V131-V135 VanDerWaalsContact O-CG2 3.3Å; V131-V135 WeakPolarHBondContact O-CG2 3.38Å; V131-V135 PolarHBondContact O-N 3.45Å; V131-P166 HydrophobicContact CG1-CG 3.76Å; V131-P166 HydrophobicContact CG2-CG 4.14Å; V131-P172 HydrophobicContact CB-CB 4.2Å; V131-P172 HydrophobicContact CG1-CB 3.94Å; V131-P172 HydrophobicContact CG2-CB 4.24Å; V131-P172 HydrophobicContact CG2-CG 4.2Å; V131-I176 HydrophobicContact CG1-CD1 4.23Å
132L87.8Confident85.2Confident1 Ų142.5 Ų42.51%0.00521%0.212CC..Hα-helixtrans-59.4-47.9175.2-73.7176000111.5L66 L128 L129 K134 V135 T136 T175 L179L66-L132 HydrophobicContact CD1-CB 3.85Å; L66-L132 HydrophobicContact CD1-CD1 4.25Å; L66-L132 HydrophobicContact CD2-CB 4.18Å; L128-L132 HydrophobicContact CD1-CD1 4.25Å; L128-L132 HydrophobicContact CD1-CG 4.25Å; L128-L132 HydrophobicContact CG-CD1 4.17Å; L128-L132 PolarHBondContact O-N 2.65Å; L129-L132 HydrophobicContact CD2-CD1 4.35Å; L129-L132 WeakPolarHBondContact O-CB 3.47Å; L129-L132 PolarHBondContact O-N 3.38Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 3.43Å; L132-V135 PolarHBondContact O-N 2.96Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 3.34Å; L132-T136 PolarHBondContact O-OG1 3.46Å; L132-T175 HydrophobicContact CD1-CG2 4.13Å; L132-T175 HydrophobicContact CD2-CG2 3.79Å; L132-T175 HydrophobicContact CG-CG2 4.36Å; L132-L179 HydrophobicContact CD2-CD1 3.8Å
133V87.7Confident84.7Confident1 Ų143.2 Ų43.21%0.00622%0.217CC..Hα-helixtrans-55.4-46.2176169.50000111L29 L31 C62 Y65 L66 L129 P130 V135 T136 K137L29-V133 HydrophobicContact CD2-CG1 4.4Å; L31-V133 HydrophobicContact CD1-CG1 4.14Å; L31-V133 HydrophobicContact CD2-CG1 3.77Å; L31-V133 HydrophobicContact CG-CG1 4.17Å; C62-V133 HydrophobicContact CB-CG2 3.71Å; Y65-V133 HydrophobicContact CD1-CB 4.36Å; Y65-V133 HydrophobicContact CD1-CG1 3.87Å; Y65-V133 HydrophobicContact CD1-CG2 4.04Å; Y65-V133 HydrophobicContact CE1-CG1 4.01Å; L66-V133 HydrophobicContact CD1-CG2 4.22Å; L66-V133 HydrophobicContact CD2-CG2 4.21Å; L66-V133 HydrophobicContact CG-CG2 3.97Å; L129-V133 WeakPolarHBondContact O-CG2 3.36Å; L129-V133 PolarHBondContact O-N 3.01Å; P130-V133 PolarHBondContact O-N 3.15Å; V133-V135 PolarHBondContact O-N 2.94Å; V133-T136 PolarHBondContact O-N 3.27Å; V133-K137 VanDerWaalsContact O-CB 3.22Å; V133-K137 WeakPolarHBondContact O-CB 3.3Å; V133-K137 PolarHBondContact O-N 3.16Å
134K85.4Confident84Confident151 Ų15140.6 Ų40.666%0.65721%0.209SC*.Hα-helixtrans-62.5-41.4179.3-172172.4-175.4165.20112.6P130 V131 L132 K138P130-K134 WeakPolarHBondContact O-CB 3.38Å; P130-K134 PolarHBondContact O-N 2.84Å; V131-K134 PolarHBondContact O-N 3.18Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 3.43Å; K134-K138 PolarHBondContact O-N 3.47Å; K134-K138 VanDerWaalsContact O-N 3.13Å
135V86.2Confident83.1Confident2 Ų238.9 Ų38.91%0.01220%0.197CC..Hα-helixtrans-66.7-49.2176.2176.50000110.3F85 V131 L132 V133 K137 K138 V139 I161 A164 I176F85-V135 HydrophobicContact CE2-CG1 4.36Å; F85-V135 HydrophobicContact CZ-CG1 4.19Å; V131-V135 HydrophobicContact CG1-CG2 4.43Å; V131-V135 VanDerWaalsContact O-CG2 3.3Å; V131-V135 WeakPolarHBondContact O-CG2 3.38Å; V131-V135 PolarHBondContact O-N 3.45Å; L132-V135 PolarHBondContact O-N 2.96Å; V133-V135 PolarHBondContact O-N 2.94Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 2.93Å; V135-K138 WeakPolarHBondContact O-CB 3.33Å; V135-K138 PolarHBondContact O-N 3.25Å; V135-V139 WeakPolarHBondContact O-CG2 3.35Å; V135-V139 PolarHBondContact O-N 3.35Å; V135-I161 HydrophobicContact CG1-CG1 4.35Å; V135-A164 HydrophobicContact CB-CB 4.34Å; V135-A164 HydrophobicContact CG1-CB 4.23Å; V135-A164 HydrophobicContact CG2-CB 3.81Å; V135-I176 HydrophobicContact CG2-CD1 4.48Å
136T88.1Confident81.4Confident1 Ų143 Ų431%0.00623%0.226CC..Hα-helixtrans-59.5-43.9179-59.50000111.5Y65 L66 F69 I89 L132 V133 K138 V139 E140Y65-T136 HydrophobicContact CE1-CG2 4.04Å; L66-T136 HydrophobicContact CD2-CG2 4.17Å; L66-T136 WeakPolarHBondContact CD2-OG1 3.43Å; F69-T136 HydrophobicContact CB-CG2 3.94Å; F69-T136 HydrophobicContact CD1-CG2 3.6Å; F69-T136 HydrophobicContact CD2-CG2 3.32Å; F69-T136 HydrophobicContact CE1-CG2 3.9Å; F69-T136 HydrophobicContact CE2-CG2 3.63Å; F69-T136 HydrophobicContact CG-CG2 3.31Å; F69-T136 HydrophobicContact CZ-CG2 3.91Å; I89-T136 HydrophobicContact CD1-CG2 4.12Å; I89-T136 VanDerWaalsContact CD1-OG1 3.29Å; I89-T136 WeakPolarHBondContact CD1-OG1 3.27Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 3.34Å; L132-T136 PolarHBondContact O-OG1 3.46Å; V133-T136 PolarHBondContact O-N 3.27Å; T136-K138 PolarHBondContact O-N 2.89Å; T136-V139 CarbonylContact O-C 3.48Å; T136-V139 WeakPolarHBondContact O-CB 3.4Å; T136-V139 PolarHBondContact O-N 2.87Å; T136-E140 WeakPolarHBondContact O-CB 3.45Å; T136-E140 PolarHBondContact O-N 3.49Å
137K85.5Confident79.8Confident65 Ų6549.3 Ų49.328%0.28326%0.256SS..Hα-helixtrans-63.7-40.2176.6-171.2174.5-175.8-1780112.1G30 Y65 V133 V135 V139 E140 N141G30-K137 PolarHBondContact O-NZ 3.21Å; Y65-K137 WeakPolarHBondContact OH-CA 3.45Å; V133-K137 VanDerWaalsContact O-CB 3.22Å; V133-K137 WeakPolarHBondContact O-CB 3.3Å; V133-K137 PolarHBondContact O-N 3.16Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 2.93Å; K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 2.99Å; K137-E140 PolarHBondContact O-N 2.96Å; K137-N141 WeakPolarHBondContact O-CB 3.46Å; K137-N141 PolarHBondContact O-N 3.07Å; K137-N141 PolarHBondContact O-ND2 3.27Å; K137-N141 PolarHBondContact O-OD1 3.47Å
138K83.8Confident78.3Confident78 Ų7847.4 Ų47.434%0.33925%0.248SC..Hα-helixtrans-62.6-40.7174.8-167.2-174.1-178.8-173.60111.2K134 V135 T136 I142 T160 S163 A164K134-K138 PolarHBondContact O-N 3.47Å; K134-K138 VanDerWaalsContact O-N 3.13Å; V135-K138 WeakPolarHBondContact O-CB 3.33Å; V135-K138 PolarHBondContact O-N 3.25Å; T136-K138 PolarHBondContact O-N 2.89Å; K138-I142 WeakPolarHBondContact O-CG1 3.37Å; K138-I142 PolarHBondContact O-N 3.01Å; K138-T160 HydrophobicContact CB-CG2 4.48Å; K138-T160 HydrophobicContact CD-CG2 3.75Å; K138-T160 HydrophobicContact CG-CG2 3.86Å; K138-S163 PolarHBondContact NZ-OG 2.71Å; K138-A164 HydrophobicContact CD-CB 3.88Å
139V84.2Confident76.5Confident0 Ų051.9 Ų51.90%028%0.277CS..Hα-helixtrans-63.9-53.4173.6166.30000110.5F69 L82 F85 V135 T136 K137 N141 I142 V143 L157 T160 I161F69-V139 HydrophobicContact CZ-CG1 4.27Å; L82-V139 HydrophobicContact CD1-CG1 3.92Å; F85-V139 HydrophobicContact CD1-CG1 4.02Å; F85-V139 HydrophobicContact CE1-CB 3.91Å; F85-V139 HydrophobicContact CE1-CG1 3.75Å; F85-V139 HydrophobicContact CE1-CG2 3.91Å; F85-V139 HydrophobicContact CE2-CG2 4.47Å; F85-V139 HydrophobicContact CZ-CB 4.27Å; F85-V139 HydrophobicContact CZ-CG2 3.82Å; V135-V139 WeakPolarHBondContact O-CG2 3.35Å; V135-V139 PolarHBondContact O-N 3.35Å; T136-V139 CarbonylContact O-C 3.48Å; T136-V139 WeakPolarHBondContact O-CB 3.4Å; T136-V139 PolarHBondContact O-N 2.87Å; K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 2.99Å; V139-N141 VanDerWaalsContact C-N 3.28Å; V139-N141 PolarHBondContact O-N 3.03Å; V139-I142 WeakPolarHBondContact O-CB 3.21Å; V139-I142 PolarHBondContact O-N 3.04Å; V139-V143 HydrophobicContact CG1-CG2 4.15Å; V139-V143 WeakPolarHBondContact O-CG2 3.48Å; V139-V143 PolarHBondContact O-N 3.33Å; V139-L157 HydrophobicContact CB-CD1 4.16Å; V139-L157 HydrophobicContact CG1-CD1 3.54Å; V139-L157 HydrophobicContact CG2-CD1 3.7Å; V139-T160 HydrophobicContact CG2-CG2 4.22Å; V139-I161 HydrophobicContact CG2-CG1 4.13Å
140E83.3Confident74.7Confident32 Ų3253.9 Ų53.915%0.1530%0.298CS..Hα-helixtrans-55.3-42.7-179.9-172175.1-164.500111.7Y65 F69 R72 F73 T136 K137 I142 V143 T144Y65-E140 PolarHBondContact OH-OE2 3.24Å; F69-E140 HydrophobicContact CD2-CB 4.36Å; F69-E140 HydrophobicContact CE2-CB 4Å; F69-E140 HydrophobicContact CE2-CG 4.47Å; R72-E140 IonicContact NH1-OE1 3.67Å; R72-E140 PolarHBondContact NH1-OE1 3.45Å; F73-E140 HydrophobicContact CE2-CG 4.43Å; T136-E140 WeakPolarHBondContact O-CB 3.45Å; T136-E140 PolarHBondContact O-N 3.49Å; K137-E140 PolarHBondContact O-N 2.96Å; E140-I142 VanDerWaalsContact C-N 3.29Å; E140-I142 PolarHBondContact O-N 3.32Å; E140-V143 PolarHBondContact O-N 3.46Å; E140-T144 HydrophobicContact CG-CG2 3.9Å; E140-T144 WeakPolarHBondContact O-CB 3.37Å; E140-T144 WeakPolarHBondContact O-CG2 3.46Å; E140-T144 PolarHBondContact O-N 3.15Å; E140-T144 PolarHBondContact O-OG1 3.46Å
141N81.7Confident73.1Confident90 Ų9054.3 Ų54.348%0.48130%0.299SS..Hα-helixtrans-60.8-35.7177-71.7-16.1000112.8K137 V139 S145K137-N141 WeakPolarHBondContact O-CB 3.46Å; K137-N141 PolarHBondContact O-N 3.07Å; K137-N141 PolarHBondContact O-ND2 3.27Å; K137-N141 PolarHBondContact O-OD1 3.47Å; V139-N141 VanDerWaalsContact C-N 3.28Å; V139-N141 PolarHBondContact O-N 3.03Å; N141-S145 WeakPolarHBondContact O-CB 3.38Å; N141-S145 PolarHBondContact O-N 2.98Å; N141-S145 VanDerWaalsContact O-N 3.11Å
142I76.7Confident71.8Confident46 Ų4659.2 Ų59.224%0.23632%0.315CS..Hα-helixtrans-74.4-39.1177.7-66.8169.8000110.8K138 V139 E140 T148 V151 T160K138-I142 WeakPolarHBondContact O-CG1 3.37Å; K138-I142 PolarHBondContact O-N 3.01Å; V139-I142 WeakPolarHBondContact O-CB 3.21Å; V139-I142 PolarHBondContact O-N 3.04Å; E140-I142 VanDerWaalsContact C-N 3.29Å; E140-I142 PolarHBondContact O-N 3.32Å; I142-T148 PolarHBondContact O-OG1 3.21Å; I142-T148 VanDerWaalsContact O-OG1 3.07Å; I142-V151 HydrophobicContact CG2-CB 4.5Å; I142-V151 HydrophobicContact CG2-CG1 3.84Å; I142-T160 HydrophobicContact CD1-CG2 3.43Å; I142-T160 VanDerWaalsContact CD1-CG2 3.43Å; I142-T160 VanDerWaalsContact CD1-OG1 3.29Å; I142-T160 WeakPolarHBondContact CD1-OG1 3.45Å
143V74.7Confident70.5Confident15 Ų1559.6 Ų59.69%0.09132%0.318CS..Hα-helixtrans-70.3-41.6179.6179.60000111.5F73 L82 V139 E140 R152F73-V143 HydrophobicContact CE1-CG1 4.14Å; L82-V143 HydrophobicContact CD1-CG2 4.17Å; L82-V143 HydrophobicContact CD2-CG1 3.89Å; L82-V143 HydrophobicContact CD2-CG2 4.08Å; V139-V143 HydrophobicContact CG1-CG2 4.15Å; V139-V143 WeakPolarHBondContact O-CG2 3.48Å; V139-V143 PolarHBondContact O-N 3.33Å; E140-V143 PolarHBondContact O-N 3.46Å; V143-R152 VanDerWaalsContact CG2-O 3.29Å; V143-R152 WeakPolarHBondContact CG2-O 3.34Å
144T71.7Confident69.7Low63 Ų6359.6 Ų59.639%0.38732%0.318SS..Hα-helixtrans-85.5-19.7-175.757.20000113.8E140 P146E140-T144 HydrophobicContact CG-CG2 3.9Å; E140-T144 WeakPolarHBondContact O-CB 3.37Å; E140-T144 WeakPolarHBondContact O-CG2 3.46Å; E140-T144 PolarHBondContact O-N 3.15Å; E140-T144 PolarHBondContact O-OG1 3.46Å; T144-P146 WeakPolarHBondContact O-CD 3.12Å
145S65Low69.2Low39 Ų3952.4 Ų52.427%0.27329%0.287SS..  trans-59123.3179.5178.10000111N141 Q147 T148N141-S145 WeakPolarHBondContact O-CB 3.38Å; N141-S145 PolarHBondContact O-N 2.98Å; N141-S145 VanDerWaalsContact O-N 3.11Å; S145-Q147 PolarHBondContact O-N 3.49Å; S145-T148 PolarHBondContact O-N 3.27Å; S145-T148 PolarHBondContact O-OG1 3.01Å
146P53.8Low68.8Low103 Ų10356.5 Ų56.567%0.66930%0.302SS*.THydrogen-bonded Turntrans-68.3-16.5-17725.3-32.9000113.2T144T144-P146 WeakPolarHBondContact O-CD 3.12Å
147Q50.5Low68.4Low180 Ų18057 Ų5784%0.84131%0.305SS*.THydrogen-bonded Turntrans-84.3-15-176.8-64.3-177.3-1.600113.5S145S145-Q147 PolarHBondContact O-N 3.49Å
148T51.9Low68.1Low45 Ų4553.9 Ų53.928%0.27629%0.291SS..  trans-107.664.2-176.540.90000110.8I142 S145 G150 V151I142-T148 PolarHBondContact O-OG1 3.21Å; I142-T148 VanDerWaalsContact O-OG1 3.07Å; S145-T148 PolarHBondContact O-N 3.27Å; S145-T148 PolarHBondContact O-OG1 3.01Å; T148-G150 PolarHBondContact O-N 3.16Å; T148-G150 VanDerWaalsContact O-N 3.17Å; T148-V151 HydrophobicContact CG2-CG2 4.45Å; T148-V151 PolarHBondContact O-N 3.34Å
149T49Very low67.9Low116 Ų11651.2 Ų51.271%0.71228%0.281SS*.THydrogen-bonded Turntrans-63.8-19.4-174.848.70000114.7
150G50.2Low67.5Low43 Ų4352.1 Ų52.144%0.44329%0.286SS..THydrogen-bonded Turntrans-102.5-18179.500000116T148T148-G150 PolarHBondContact O-N 3.16Å; T148-G150 VanDerWaalsContact O-N 3.17Å
151V52.6Low67.4Low45 Ų4550.6 Ų50.627%0.27328%0.279SS..  trans-91-2.5-169.1-1710000112.5I142 T148 S153 S154I142-V151 HydrophobicContact CG2-CB 4.5Å; I142-V151 HydrophobicContact CG2-CG1 3.84Å; T148-V151 HydrophobicContact CG2-CG2 4.45Å; T148-V151 PolarHBondContact O-N 3.34Å; V151-S153 PolarHBondContact O-N 2.96Å; V151-S154 PolarHBondContact O-N 2.85Å
152R57.7Low67.2Low128 Ų12848 Ų4848%0.48327%0.265SS..THydrogen-bonded Turntrans-54.6-25.6-163.7-69.7-173.2174173-0.4114.8V143V143-R152 VanDerWaalsContact CG2-O 3.29Å; V143-R152 WeakPolarHBondContact CG2-O 3.34Å
153S61.1Low67.2Low9 Ų949.6 Ų49.66%0.06328%0.28CS..THydrogen-bonded Turntrans-157.638.8172.3-178.70000111.9H78 G79 L82 V151 E206H78-S153 WeakPolarHBondContact O-CB 3.43Å; G79-S153 WeakPolarHBondContact CA-OG 3.47Å; L82-S153 VanDerWaalsContact CB-OG 3.25Å; L82-S153 WeakPolarHBondContact CB-OG 3.4Å; L82-S153 PolarHBondContact N-OG 3.32Å; V151-S153 PolarHBondContact O-N 2.96Å; S153-E206 WeakPolarHBondContact CB-OE1 3.49Å; S153-E206 VanDerWaalsContact O-CB 3.3Å; S153-E206 WeakPolarHBondContact O-CB 3.48Å; S153-E206 WeakPolarHBondContact O-CG 3.48Å; S153-E206 PolarHBondContact OG-OE1 3.22Å
154S70.2Confident67.2Low1 Ų150 Ų501%0.00729%0.285CS..SBendtrans-80.2167.9179.869.30000113.1V151 R156 L157 N255V151-S154 PolarHBondContact O-N 2.85Å; S154-R156 PolarHBondContact O-N 2.8Å; S154-L157 WeakPolarHBondContact O-CB 3.4Å; S154-L157 PolarHBondContact O-N 3.07Å; S154-N255 WeakPolarHBondContact CB-OD1 3.4Å; S154-N255 PolarHBondContact OG-OD1 2.97Å
155C75Confident67Low0 Ų047.5 Ų47.50%027%0.271CS..THydrogen-bonded Turntrans-58-12.9174.343.20000114Y81 L157 L158 E206 N255 P257Y81-C155 HydrophobicContact CD1-CB 4.23Å; Y81-C155 HydrophobicContact CE1-CB 3.62Å; Y81-C155 HydrophobicContact CE2-CB 4.48Å; C155-L157 PolarHBondContact O-N 2.63Å; C155-L158 WeakPolarHBondContact O-CB 3.35Å; C155-L158 WeakPolarHBondContact O-CD1 3.34Å; C155-L158 PolarHBondContact O-N 2.95Å; C155-E206 PolarHBondContact N-O 3.4Å; C155-E206 PolarHBondContact SG-O 3.12Å; C155-N255 PolarHBondContact SG-O 2.88Å; C155-P257 HydrophobicContact CB-CG 3.83Å
156R77.2Confident67.2Low88 Ų8847.4 Ų47.433%0.33227%0.269SS..THydrogen-bonded Turntrans-61-17.6167-73.8-63.8-174.1118.12114.9S154 L158 D159 T160 N253 E254 L256S154-R156 PolarHBondContact O-N 2.8Å; R156-L158 PolarHBondContact O-N 3.47Å; R156-L158 VanDerWaalsContact O-N 3.11Å; R156-D159 WeakPolarHBondContact CD-OD2 3.48Å; R156-D159 IonicContact NE-OD2 3.09Å; R156-D159 WeakPolarHBondContact O-CB 3.4Å; R156-D159 PolarHBondContact O-N 3.37Å; R156-T160 PolarHBondContact O-N 3.42Å; R156-N253 PolarHBondContact NH2-O 3.12Å; R156-E254 WeakPolarHBondContact CG-O 3.33Å; R156-E254 PolarHBondContact NE-O 3.27Å; R156-E254 VanDerWaalsContact NE-O 3.12Å; R156-L256 VanDerWaalsContact CZ-O 3.23Å; R156-L256 PolarHBondContact NE-O 3.15Å; R156-L256 PolarHBondContact NH2-O 3.16Å
157L79.7Confident67.8Low11 Ų1148.1 Ų48.16%0.05827%0.274CS..Hα-helixtrans-53.6-33.3174-17069.9000111.4F85 V139 S154 C155 D159 T160 I161 I183F85-L157 HydrophobicContact CB-CD2 3.93Å; F85-L157 HydrophobicContact CG-CD2 4.25Å; V139-L157 HydrophobicContact CB-CD1 4.16Å; V139-L157 HydrophobicContact CG1-CD1 3.54Å; V139-L157 HydrophobicContact CG2-CD1 3.7Å; S154-L157 WeakPolarHBondContact O-CB 3.4Å; S154-L157 PolarHBondContact O-N 3.07Å; C155-L157 PolarHBondContact O-N 2.63Å; L157-D159 VanDerWaalsContact C-N 3.34Å; L157-D159 PolarHBondContact O-N 2.88Å; L157-T160 WeakPolarHBondContact O-CB 3.48Å; L157-T160 PolarHBondContact O-N 3.05Å; L157-T160 VanDerWaalsContact O-N 3.16Å; L157-I161 HydrophobicContact CD2-CD1 4.22Å; L157-I161 HydrophobicContact CG-CD1 3.87Å; L157-I161 WeakPolarHBondContact O-CG1 3.46Å; L157-I161 PolarHBondContact O-N 3.41Å; L157-I183 HydrophobicContact CD2-CD1 4.13Å
158L79.1Confident68.5Low0 Ų043 Ų430%027%0.27CS..Hα-helixtrans-58.7-42.1174.9-70.3157.1000112.7C155 R156 T160 I161 L162 V180 I183 M184 P257 F259C155-L158 WeakPolarHBondContact O-CB 3.35Å; C155-L158 WeakPolarHBondContact O-CD1 3.34Å; C155-L158 PolarHBondContact O-N 2.95Å; R156-L158 PolarHBondContact O-N 3.47Å; R156-L158 VanDerWaalsContact O-N 3.11Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 3.27Å; L158-I161 PolarHBondContact O-N 3.18Å; L158-L162 VanDerWaalsContact O-CB 3.26Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 WeakPolarHBondContact O-CD1 3.4Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.97Å; L158-V180 HydrophobicContact CD2-CG1 4.37Å; L158-I183 HydrophobicContact CD1-CG2 4.14Å; L158-I183 HydrophobicContact CD2-CB 3.85Å; L158-I183 HydrophobicContact CD2-CD1 4.45Å; L158-I183 HydrophobicContact CD2-CG2 3.52Å; L158-I183 HydrophobicContact CG-CG2 3.71Å; L158-M184 HydrophobicContact CD1-CE 3.03Å; L158-M184 HydrophobicContact CD2-CE 3.4Å; L158-M184 HydrophobicContact CG-CE 3.8Å; L158-P257 HydrophobicContact CD1-CG 4.39Å; L158-F259 HydrophobicContact CB-CE1 4.08Å; L158-F259 HydrophobicContact CD1-CE1 4.18Å; L158-F259 HydrophobicContact CD1-CZ 4.37Å
159D79.7Confident69.4Low22 Ų2244.5 Ų44.512%0.11828%0.275CS..Hα-helixtrans-64.7-38.5177.7-64.2-32.1000111.2R156 L157 S163 S258R156-D159 WeakPolarHBondContact CD-OD2 3.48Å; R156-D159 IonicContact NE-OD2 3.09Å; R156-D159 WeakPolarHBondContact O-CB 3.4Å; R156-D159 PolarHBondContact O-N 3.37Å; L157-D159 VanDerWaalsContact C-N 3.34Å; L157-D159 PolarHBondContact O-N 2.88Å; D159-S163 WeakPolarHBondContact O-CB 3.48Å; D159-S163 PolarHBondContact O-N 2.93Å; D159-S163 PolarHBondContact O-OG 2.92Å; D159-S258 VanDerWaalsContact CG-N 3.29Å; D159-S258 WeakPolarHBondContact OD1-CB 3.34Å; D159-S258 PolarHBondContact OD1-N 3.09Å; D159-S258 PolarHBondContact OD1-OG 3.08Å; D159-S258 WeakPolarHBondContact OD2-CB 3.34Å; D159-S258 PolarHBondContact OD2-N 3.16Å; D159-S258 PolarHBondContact OD2-OG 3.09Å
160T77.6Confident70.3Confident19 Ų1943 Ų4312%0.11727%0.268CS..Hα-helixtrans-65-45.5178.2-59.30000110.9K138 V139 I142 R156 L157 L158 S163 A164K138-T160 HydrophobicContact CB-CG2 4.48Å; K138-T160 HydrophobicContact CD-CG2 3.75Å; K138-T160 HydrophobicContact CG-CG2 3.86Å; V139-T160 HydrophobicContact CG2-CG2 4.22Å; I142-T160 HydrophobicContact CD1-CG2 3.43Å; I142-T160 VanDerWaalsContact CD1-CG2 3.43Å; I142-T160 VanDerWaalsContact CD1-OG1 3.29Å; I142-T160 WeakPolarHBondContact CD1-OG1 3.45Å; R156-T160 PolarHBondContact O-N 3.42Å; L157-T160 WeakPolarHBondContact O-CB 3.48Å; L157-T160 PolarHBondContact O-N 3.05Å; L157-T160 VanDerWaalsContact O-N 3.16Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 3.27Å; T160-S163 WeakPolarHBondContact CA-OG 3.42Å; T160-S163 PolarHBondContact O-N 3.18Å; T160-S163 PolarHBondContact O-OG 3.17Å; T160-A164 WeakPolarHBondContact O-CB 3.36Å; T160-A164 PolarHBondContact O-N 3.4Å
161I80.4Confident71.5Confident0 Ų042.8 Ų42.80%027%0.266CS..Hα-helixtrans-68.6-45.7-179.4-66.1164.1000110.5F85 V135 V139 L157 L158 S163 A164 A165 I176 V180 I183F85-I161 HydrophobicContact CD2-CD1 3.41Å; F85-I161 VanDerWaalsContact CD2-CD1 3.41Å; F85-I161 HydrophobicContact CD2-CG1 4.27Å; F85-I161 HydrophobicContact CE2-CD1 3.53Å; F85-I161 HydrophobicContact CE2-CG1 3.87Å; F85-I161 HydrophobicContact CG-CD1 4.26Å; F85-I161 HydrophobicContact CZ-CD1 4.48Å; V135-I161 HydrophobicContact CG1-CG1 4.35Å; V139-I161 HydrophobicContact CG2-CG1 4.13Å; L157-I161 HydrophobicContact CD2-CD1 4.22Å; L157-I161 HydrophobicContact CG-CD1 3.87Å; L157-I161 WeakPolarHBondContact O-CG1 3.46Å; L157-I161 PolarHBondContact O-N 3.41Å; L158-I161 PolarHBondContact O-N 3.18Å; I161-S163 VanDerWaalsContact C-N 3.31Å; I161-S163 PolarHBondContact O-N 3.13Å; I161-A164 PolarHBondContact O-N 3.02Å; I161-A165 PolarHBondContact O-N 3.49Å; I161-I176 HydrophobicContact CG2-CG2 4.17Å; I161-V180 HydrophobicContact CG2-CG2 3.89Å; I161-I183 HydrophobicContact CD1-CD1 3.12Å
162L77Confident72.7Confident36 Ų3641 Ų4119%0.18825%0.254CS..Hα-helixtrans-62.7-37.3177.4-71169.8000111.9L158 V180 F259 L323 I324L158-L162 VanDerWaalsContact O-CB 3.26Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 WeakPolarHBondContact O-CD1 3.4Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.97Å; L162-V180 HydrophobicContact CD2-CG2 4.06Å; L162-F259 HydrophobicContact CD1-CD1 4.21Å; L162-L323 HydrophobicContact CD2-CD1 4.1Å; L162-I324 HydrophobicContact CD1-CD1 4.26Å
163S76.4Confident73.5Confident79 Ų7936.8 Ų36.855%0.55224%0.239SC*.Hα-helixtrans-78.9-21.6176.663.40000114.2K138 D159 T160 I161 A165K138-S163 PolarHBondContact NZ-OG 2.71Å; D159-S163 WeakPolarHBondContact O-CB 3.48Å; D159-S163 PolarHBondContact O-N 2.93Å; D159-S163 PolarHBondContact O-OG 2.92Å; T160-S163 WeakPolarHBondContact CA-OG 3.42Å; T160-S163 PolarHBondContact O-N 3.18Å; T160-S163 PolarHBondContact O-OG 3.17Å; I161-S163 VanDerWaalsContact C-N 3.31Å; I161-S163 PolarHBondContact O-N 3.13Å; S163-A165 VanDerWaalsContact C-N 3.32Å
164A74.7Confident74.2Confident24 Ų2439.1 Ų39.120%0.19825%0.248CC..Hα-helixtrans-82.7-12.9176.500000112.9V135 K138 T160 I161 P166V135-A164 HydrophobicContact CB-CB 4.34Å; V135-A164 HydrophobicContact CG1-CB 4.23Å; V135-A164 HydrophobicContact CG2-CB 3.81Å; K138-A164 HydrophobicContact CD-CB 3.88Å; T160-A164 WeakPolarHBondContact O-CB 3.36Å; T160-A164 PolarHBondContact O-N 3.4Å; I161-A164 PolarHBondContact O-N 3.02Å; A164-P166 WeakPolarHBondContact O-CD 3.41Å
165A69.1Low74.8Confident10 Ų1039.9 Ų39.98%0.08325%0.253CS..SBendtrans-71.5120.6-17600000112.3I161 S163 I176 F320I161-A165 PolarHBondContact O-N 3.49Å; S163-A165 VanDerWaalsContact C-N 3.32Å; A165-I176 HydrophobicContact CB-CD1 3.55Å; A165-I176 HydrophobicContact CB-CG2 3.92Å; A165-F320 HydrophobicContact CB-CD1 3.68Å; A165-F320 HydrophobicContact CB-CE1 3.33Å; A165-F320 HydrophobicContact CB-CE2 4.26Å; A165-F320 HydrophobicContact CB-CG 4.33Å; A165-F320 HydrophobicContact CB-CZ 3.65Å
166P67.5Low75.2Confident37 Ų3740 Ų4024%0.2425%0.253CS..PPolyproline II helixtrans-69136.1-178.925.5-31.8000111.4V131 A164 G168 F320V131-P166 HydrophobicContact CG1-CG 3.76Å; V131-P166 HydrophobicContact CG2-CG 4.14Å; A164-P166 WeakPolarHBondContact O-CD 3.41Å; P166-G168 PolarHBondContact O-N 3.16Å; P166-F320 VanDerWaalsContact O-CE2 3.31Å; P166-F320 WeakPolarHBondContact O-CE2 3.25Å; P166-F320 WeakPolarHBondContact O-CZ 3.15Å
167P67.1Low75.3Confident117 Ų11736.6 Ų36.676%0.7624%0.241SC*.THydrogen-bonded Turntrans-67.1125.9172.427-31.7000111.2
168G65.7Low75.5Confident74 Ų7438.8 Ų38.876%0.76325%0.25SS*.THydrogen-bonded Turntrans104.73.9155.600000118.9P166P166-G168 PolarHBondContact O-N 3.16Å
169L69.6Low75.8Confident75 Ų7538.8 Ų38.839%0.39325%0.25SS..  trans-111.3123.4176.4-67.4167.7000111.8I127 P172 R173I127-L169 HydrophobicContact CG2-CD1 3.83Å; L169-P172 HydrophobicContact CB-CG 4.03Å; L169-P172 HydrophobicContact CD1-CG 4.45Å; L169-R173 WeakPolarHBondContact O-CB 3.23Å; L169-R173 PolarHBondContact O-N 3.24Å
170P69.5Low76.1Confident86 Ų8638 Ų3856%0.55825%0.246SC*.Hα-helixtrans-65.9-44-174.324.5-32.4000112.6R173 F174P170-R173 WeakPolarHBondContact O-CB 3.27Å; P170-R173 PolarHBondContact O-N 3.21Å; P170-F174 HydrophobicContact CB-CE2 4.08Å; P170-F174 WeakPolarHBondContact O-CD2 3.4Å; P170-F174 PolarHBondContact O-N 3.07Å
171G74.5Confident76.5Confident38 Ų3837.5 Ų37.539%0.39224%0.243SC..Hα-helixtrans-57.4-63.7-178.400000113.4R173 F174 T175G171-R173 PolarHBondContact O-N 3.48Å; G171-F174 PolarHBondContact O-N 3.11Å; G171-F174 VanDerWaalsContact O-N 3.16Å; G171-T175 PolarHBondContact O-N 3.35Å; G171-T175 PolarHBondContact O-OG1 3.34Å
172P77Confident76.8Confident6 Ų639 Ų394%0.03925%0.25CS..Hα-helixtrans-57.7-31.9177.2-23.532.9000113.5I127 L128 V131 L169 T175 I176I127-P172 HydrophobicContact CG2-CG 3.9Å; L128-P172 HydrophobicContact CD1-CB 4.38Å; V131-P172 HydrophobicContact CB-CB 4.2Å; V131-P172 HydrophobicContact CG1-CB 3.94Å; V131-P172 HydrophobicContact CG2-CB 4.24Å; V131-P172 HydrophobicContact CG2-CG 4.2Å; L169-P172 HydrophobicContact CB-CG 4.03Å; L169-P172 HydrophobicContact CD1-CG 4.45Å; P172-T175 PolarHBondContact O-N 2.91Å; P172-I176 WeakPolarHBondContact O-CB 3.16Å; P172-I176 VanDerWaalsContact O-CG1 3.24Å; P172-I176 WeakPolarHBondContact O-CG1 3.32Å; P172-I176 PolarHBondContact O-N 3.44Å
173R75.6Confident77.4Confident40 Ų4037.3 Ų37.315%0.15124%0.241CC..Hα-helixtrans-63.8-45.2177.2179.1-177.5178.4147.818.9112.5L169 P170 G171 T175 I176 Q177 W315 K318 F320L169-R173 WeakPolarHBondContact O-CB 3.23Å; L169-R173 PolarHBondContact O-N 3.24Å; P170-R173 WeakPolarHBondContact O-CB 3.27Å; P170-R173 PolarHBondContact O-N 3.21Å; G171-R173 PolarHBondContact O-N 3.48Å; R173-T175 VanDerWaalsContact C-N 3.28Å; R173-T175 PolarHBondContact O-N 3.07Å; R173-I176 PolarHBondContact O-N 3.29Å; R173-Q177 WeakPolarHBondContact O-CB 3.37Å; R173-Q177 VanDerWaalsContact O-CG 3.31Å; R173-Q177 WeakPolarHBondContact O-CG 3.13Å; R173-Q177 PolarHBondContact O-N 3.18Å; R173-W315 VanDerWaalsContact NH2-CE3 3.29Å; R173-K318 VanDerWaalsContact CZ-O 3.28Å; R173-K318 PolarHBondContact NH1-O 2.89Å; R173-K318 PolarHBondContact NH2-O 3.24Å; R173-F320 HydrophobicContact CB-CZ 4.41Å; R173-F320 HydrophobicContact CG-CE1 4.12Å; R173-F320 HydrophobicContact CG-CZ 4.14Å
174F76.5Confident78Confident58 Ų5833.5 Ų33.525%0.25422%0.215SC..Hα-helixtrans-62-39.3176.2-71.2-63.4000111.5P170 G171 Q177 K178 L313P170-F174 HydrophobicContact CB-CE2 4.08Å; P170-F174 WeakPolarHBondContact O-CD2 3.4Å; P170-F174 PolarHBondContact O-N 3.07Å; G171-F174 PolarHBondContact O-N 3.11Å; G171-F174 VanDerWaalsContact O-N 3.16Å; F174-Q177 WeakPolarHBondContact O-CB 3.2Å; F174-Q177 PolarHBondContact O-N 2.91Å; F174-K178 PolarHBondContact O-N 2.77Å; F174-L313 HydrophobicContact CZ-CG 4.39Å
175T81.9Confident78.7Confident18 Ų1833.8 Ų33.811%0.1121%0.212CC..Hα-helixtrans-67.5-43.8178-48.80000112.1L128 L132 G171 P172 R173 Q177 K178 L179L128-T175 HydrophobicContact CD1-CG2 4.01Å; L128-T175 WeakPolarHBondContact CD1-OG1 3.4Å; L132-T175 HydrophobicContact CD1-CG2 4.13Å; L132-T175 HydrophobicContact CD2-CG2 3.79Å; L132-T175 HydrophobicContact CG-CG2 4.36Å; G171-T175 PolarHBondContact O-N 3.35Å; G171-T175 PolarHBondContact O-OG1 3.34Å; P172-T175 PolarHBondContact O-N 2.91Å; R173-T175 VanDerWaalsContact C-N 3.28Å; R173-T175 PolarHBondContact O-N 3.07Å; T175-Q177 VanDerWaalsContact C-N 3.28Å; T175-Q177 PolarHBondContact O-N 3.38Å; T175-K178 WeakPolarHBondContact O-CB 3.44Å; T175-K178 PolarHBondContact O-N 2.98Å; T175-K178 VanDerWaalsContact O-N 3.09Å; T175-L179 WeakPolarHBondContact O-CG 3.28Å; T175-L179 PolarHBondContact O-N 3.46Å
176I83.1Confident79.7Confident1 Ų134.5 Ų34.51%0.00522%0.215CC..Hα-helixtrans-63.4-37175.4-67.9172000111.2V131 V135 I161 A165 P172 R173 K178 L179 V180V131-I176 HydrophobicContact CG1-CD1 4.23Å; V135-I176 HydrophobicContact CG2-CD1 4.48Å; I161-I176 HydrophobicContact CG2-CG2 4.17Å; A165-I176 HydrophobicContact CB-CD1 3.55Å; A165-I176 HydrophobicContact CB-CG2 3.92Å; P172-I176 WeakPolarHBondContact O-CB 3.16Å; P172-I176 VanDerWaalsContact O-CG1 3.24Å; P172-I176 WeakPolarHBondContact O-CG1 3.32Å; P172-I176 PolarHBondContact O-N 3.44Å; R173-I176 PolarHBondContact O-N 3.29Å; I176-K178 VanDerWaalsContact C-N 3.31Å; I176-K178 PolarHBondContact O-N 3.44Å; I176-L179 WeakPolarHBondContact O-CB 3.45Å; I176-L179 PolarHBondContact O-N 2.96Å; I176-V180 HydrophobicContact CG2-CG2 4.34Å; I176-V180 WeakPolarHBondContact O-CG2 3.5Å; I176-V180 PolarHBondContact O-N 3.33Å
177Q79.6Confident80.8Confident18 Ų1832.7 Ų32.78%0.08420%0.204CC..Hα-helixtrans-58.2-43.9171.6-80.5172.4-27.300111.9R173 F174 T175 V180 S181 L323R173-Q177 WeakPolarHBondContact O-CB 3.37Å; R173-Q177 VanDerWaalsContact O-CG 3.31Å; R173-Q177 WeakPolarHBondContact O-CG 3.13Å; R173-Q177 PolarHBondContact O-N 3.18Å; F174-Q177 WeakPolarHBondContact O-CB 3.2Å; F174-Q177 PolarHBondContact O-N 2.91Å; T175-Q177 VanDerWaalsContact C-N 3.28Å; T175-Q177 PolarHBondContact O-N 3.38Å; Q177-V180 PolarHBondContact O-N 3.43Å; Q177-S181 WeakPolarHBondContact O-CB 3.41Å; Q177-S181 PolarHBondContact O-N 3.27Å; Q177-L323 HydrophobicContact CG-CD1 3.93Å; Q177-L323 HydrophobicContact CG-CD2 3.35Å; Q177-L323 HydrophobicContact CG-CG 4.22Å
178K83.1Confident81.9Confident57 Ų5727.2 Ų27.225%0.24817%0.168CC..Hα-helixtrans-60.9-45.5175.3-162.8177.3-174.1-177.80111.5D91 F174 T175 I176 V180 S181 H182D91-K178 HydrophobicContact CB-CD 4.43Å; D91-K178 PolarHBondContact O-NZ 3.43Å; D91-K178 IonicContact OD2-NZ 3.94Å; F174-K178 PolarHBondContact O-N 2.77Å; T175-K178 WeakPolarHBondContact O-CB 3.44Å; T175-K178 PolarHBondContact O-N 2.98Å; T175-K178 VanDerWaalsContact O-N 3.09Å; I176-K178 VanDerWaalsContact C-N 3.31Å; I176-K178 PolarHBondContact O-N 3.44Å; K178-V180 PolarHBondContact O-N 2.88Å; K178-S181 VanDerWaalsContact O-CB 3.31Å; K178-S181 WeakPolarHBondContact O-CB 3.41Å; K178-S181 PolarHBondContact O-N 2.88Å; K178-S181 VanDerWaalsContact O-N 3.16Å; K178-H182 PolarHBondContact O-CD2 3.48Å; K178-H182 PolarHBondContact O-N 3.24Å; K178-H182 VanDerWaalsContact O-N 3.12Å
179L87.2Confident83.2Confident0 Ų031.1 Ų31.10%016%0.16CC..Hα-helixtrans-57.6-49.4175.2-62.1177000112.1F85 G88 I89 L132 T175 I176 S181 H182 I183F85-L179 HydrophobicContact CD2-CD2 4.48Å; F85-L179 HydrophobicContact CE2-CD1 4Å; F85-L179 HydrophobicContact CE2-CD2 4.45Å; G88-L179 WeakPolarHBondContact O-CD2 3.42Å; I89-L179 HydrophobicContact CB-CD2 4.43Å; I89-L179 HydrophobicContact CG1-CD2 3.76Å; I89-L179 VanDerWaalsContact N-CD2 3.28Å; L132-L179 HydrophobicContact CD2-CD1 3.8Å; T175-L179 WeakPolarHBondContact O-CG 3.28Å; T175-L179 PolarHBondContact O-N 3.46Å; I176-L179 WeakPolarHBondContact O-CB 3.45Å; I176-L179 PolarHBondContact O-N 2.96Å; L179-S181 VanDerWaalsContact C-N 3.27Å; L179-S181 PolarHBondContact O-N 3.43Å; L179-H182 PolarHBondContact O-N 2.93Å; L179-I183 WeakPolarHBondContact O-CG1 3.4Å; L179-I183 PolarHBondContact O-N 3.23Å
180V85.4Confident84.2Confident5 Ų527.9 Ų27.93%0.0314%0.143CC..Hα-helixtrans-62-37.9177.8172.30000110.7L158 I161 L162 I176 Q177 K178 I183 M184 I324L158-V180 HydrophobicContact CD2-CG1 4.37Å; I161-V180 HydrophobicContact CG2-CG2 3.89Å; L162-V180 HydrophobicContact CD2-CG2 4.06Å; I176-V180 HydrophobicContact CG2-CG2 4.34Å; I176-V180 WeakPolarHBondContact O-CG2 3.5Å; I176-V180 PolarHBondContact O-N 3.33Å; Q177-V180 PolarHBondContact O-N 3.43Å; K178-V180 PolarHBondContact O-N 2.88Å; V180-I183 PolarHBondContact O-N 3.44Å; V180-M184 HydrophobicContact CG1-CG 3.99Å; V180-M184 VanDerWaalsContact O-CB 3.27Å; V180-M184 WeakPolarHBondContact O-CB 3.3Å; V180-M184 VanDerWaalsContact O-CG 3.23Å; V180-M184 WeakPolarHBondContact O-CG 3.39Å; V180-M184 PolarHBondContact O-N 3Å; V180-I324 HydrophobicContact CG1-CD1 3.91Å; V180-I324 HydrophobicContact CG1-CG1 3.94Å
181S85.4Confident85.3Confident8 Ų823.8 Ų23.86%0.05612%0.116CC..Hα-helixtrans-58.7-51.3177.1-1700000111.5Q177 K178 L179 I183 M184 Q185 L306Q177-S181 WeakPolarHBondContact O-CB 3.41Å; Q177-S181 PolarHBondContact O-N 3.27Å; K178-S181 VanDerWaalsContact O-CB 3.31Å; K178-S181 WeakPolarHBondContact O-CB 3.41Å; K178-S181 PolarHBondContact O-N 2.88Å; K178-S181 VanDerWaalsContact O-N 3.16Å; L179-S181 VanDerWaalsContact C-N 3.27Å; L179-S181 PolarHBondContact O-N 3.43Å; S181-I183 VanDerWaalsContact C-N 3.31Å; S181-I183 PolarHBondContact O-N 3.43Å; S181-M184 WeakPolarHBondContact O-CB 3.47Å; S181-M184 PolarHBondContact O-N 3.22Å; S181-M184 VanDerWaalsContact O-N 3.14Å; S181-Q185 WeakPolarHBondContact O-CG 3.22Å; S181-Q185 PolarHBondContact O-N 3Å; S181-L306 PolarHBondContact OG-O 3.31Å
182H87.9Confident86.3Confident32 Ų3223.1 Ų23.115%0.14811%0.105CC..Hα-helixtrans-57.8-42.7178.5-72.8-74.3000112.9A84 G88 D91 K178 L179 Q185 V186A84-H182 WeakPolarHBondContact O-CB 3.48Å; G88-H182 WeakPolarHBondContact CA-CD2 3.46Å; D91-H182 IonicContact OD2-CE1 2.7Å; D91-H182 PolarHBondContact OD2-CE1 3.45Å; D91-H182 IonicContact OD2-NE2 3.45Å; D91-H182 PolarHBondContact OD2-NE2 2.81Å; K178-H182 PolarHBondContact O-CD2 3.48Å; K178-H182 PolarHBondContact O-N 3.24Å; K178-H182 VanDerWaalsContact O-N 3.12Å; L179-H182 PolarHBondContact O-N 2.93Å; H182-Q185 WeakPolarHBondContact O-CB 2.99Å; H182-Q185 PolarHBondContact O-N 3.13Å; H182-V186 PolarHBondContact O-N 3.06Å
183I89Confident87Confident0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-69.6-40.3178.5-59.5171.1000111Y81 F85 L157 L158 I161 L179 V180 S181 Q185 V186 F187Y81-I183 HydrophobicContact CD1-CG2 3.46Å; Y81-I183 VanDerWaalsContact CD1-CG2 3.46Å; Y81-I183 HydrophobicContact CE1-CG2 4.09Å; Y81-I183 HydrophobicContact CG-CG2 4.45Å; F85-I183 HydrophobicContact CB-CD1 3.97Å; F85-I183 HydrophobicContact CB-CG1 4.24Å; F85-I183 HydrophobicContact CD2-CD1 3.95Å; F85-I183 HydrophobicContact CG-CD1 4.39Å; L157-I183 HydrophobicContact CD2-CD1 4.13Å; L158-I183 HydrophobicContact CD1-CG2 4.14Å; L158-I183 HydrophobicContact CD2-CB 3.85Å; L158-I183 HydrophobicContact CD2-CD1 4.45Å; L158-I183 HydrophobicContact CD2-CG2 3.52Å; L158-I183 HydrophobicContact CG-CG2 3.71Å; I161-I183 HydrophobicContact CD1-CD1 3.12Å; L179-I183 WeakPolarHBondContact O-CG1 3.4Å; L179-I183 PolarHBondContact O-N 3.23Å; V180-I183 PolarHBondContact O-N 3.44Å; S181-I183 VanDerWaalsContact C-N 3.31Å; S181-I183 PolarHBondContact O-N 3.43Å; I183-Q185 PolarHBondContact O-N 3.36Å; I183-V186 WeakPolarHBondContact O-CB 3.12Å; I183-V186 PolarHBondContact O-N 2.94Å; I183-V186 VanDerWaalsContact O-N 3.15Å; I183-F187 PolarHBondContact O-N 3.26Å; I183-F187 VanDerWaalsContact O-N 3.07Å
184M87.7Confident87.9Confident0 Ų022.1 Ų22.10%010%0.104CC..Hα-helixtrans-61.2-31.5174.4-79.3-67.7103.200112.7L158 V180 S181 F187 L188 F259 L306 I324L158-M184 HydrophobicContact CD1-CE 3.03Å; L158-M184 HydrophobicContact CD2-CE 3.4Å; L158-M184 HydrophobicContact CG-CE 3.8Å; V180-M184 HydrophobicContact CG1-CG 3.99Å; V180-M184 VanDerWaalsContact O-CB 3.27Å; V180-M184 WeakPolarHBondContact O-CB 3.3Å; V180-M184 VanDerWaalsContact O-CG 3.23Å; V180-M184 WeakPolarHBondContact O-CG 3.39Å; V180-M184 PolarHBondContact O-N 3Å; S181-M184 WeakPolarHBondContact O-CB 3.47Å; S181-M184 PolarHBondContact O-N 3.22Å; S181-M184 VanDerWaalsContact O-N 3.14Å; M184-F187 HydrophobicContact CE-CB 4.08Å; M184-F187 HydrophobicContact CE-CD1 4.31Å; M184-F187 HydrophobicContact CE-CG 4.2Å; M184-F187 PolarHBondContact O-N 3.43Å; M184-F187 HydrophobicContact SD-CD1 4.3Å; M184-L188 WeakPolarHBondContact O-CB 3.35Å; M184-L188 WeakPolarHBondContact O-CG 3.44Å; M184-L188 PolarHBondContact O-N 3.37Å; M184-F259 HydrophobicContact CE-CZ 4.07Å; M184-L306 HydrophobicContact CB-CD1 3.96Å; M184-I324 HydrophobicContact CE-CD1 4.08Å; M184-I324 HydrophobicContact CG-CD1 4.11Å; M184-I324 HydrophobicContact CG-CG1 4.22Å; M184-I324 HydrophobicContact SD-CD1 3.77Å; M184-I324 HydrophobicContact SD-CG1 4.18Å; M184-I324 HydrophobicContact SD-CG2 4.07Å
185Q89.7Confident88.7Confident29 Ų2919.3 Ų19.314%0.1369%0.092CC..Hα-helixtrans-63-42.4174.2-68.1178.90.500111.7S181 H182 I183 R189 L303 E307S181-Q185 WeakPolarHBondContact O-CG 3.22Å; S181-Q185 PolarHBondContact O-N 3Å; H182-Q185 WeakPolarHBondContact O-CB 2.99Å; H182-Q185 PolarHBondContact O-N 3.13Å; I183-Q185 PolarHBondContact O-N 3.36Å; Q185-R189 WeakPolarHBondContact O-CB 3.42Å; Q185-R189 WeakPolarHBondContact O-CD 3.48Å; Q185-R189 WeakPolarHBondContact O-CG 3.35Å; Q185-R189 PolarHBondContact O-N 3.2Å; Q185-L303 HydrophobicContact CB-CD2 3.98Å; Q185-L303 HydrophobicContact CG-CD2 3.83Å; Q185-E307 VanDerWaalsContact NE2-CG 3.28Å; Q185-E307 PolarHBondContact NE2-OE1 2.67Å
186V90.6Very high89.2Confident25 Ų2518.5 Ų18.515%0.1529%0.087CC..Hα-helixtrans-62.6-48.7174.7178.70000110.4L80 Y81 A84 H182 I183 L188 R189 Q190L80-V186 HydrophobicContact CB-CG1 3.72Å; Y81-V186 HydrophobicContact CD2-CG1 4.31Å; Y81-V186 HydrophobicContact CE2-CG1 4.09Å; A84-V186 HydrophobicContact CB-CG2 3.52Å; H182-V186 PolarHBondContact O-N 3.06Å; I183-V186 WeakPolarHBondContact O-CB 3.12Å; I183-V186 PolarHBondContact O-N 2.94Å; I183-V186 VanDerWaalsContact O-N 3.15Å; V186-L188 PolarHBondContact O-N 3.14Å; V186-R189 PolarHBondContact O-N 2.79Å; V186-Q190 PolarHBondContact O-N 2.82Å
187F90.8Very high89.5Confident0 Ų022.8 Ų22.80%010%0.104CC..Hα-helixtrans-56.5-48.7178.4175.7-96.7000112.4Y81 I183 M184 R189 Q190 L191 F207 F208 L260Y81-F187 HydrophobicContact CE1-CB 4.19Å; I183-F187 PolarHBondContact O-N 3.26Å; I183-F187 VanDerWaalsContact O-N 3.07Å; M184-F187 HydrophobicContact CE-CB 4.08Å; M184-F187 HydrophobicContact CE-CD1 4.31Å; M184-F187 HydrophobicContact CE-CG 4.2Å; M184-F187 PolarHBondContact O-N 3.43Å; M184-F187 HydrophobicContact SD-CD1 4.3Å; F187-R189 VanDerWaalsContact C-N 3.33Å; F187-R189 PolarHBondContact O-N 3.35Å; F187-Q190 PolarHBondContact O-N 2.96Å; F187-L191 HydrophobicContact CE1-CD2 4.1Å; F187-L191 VanDerWaalsContact O-CB 3.32Å; F187-L191 WeakPolarHBondContact O-CB 3.28Å; F187-L191 PolarHBondContact O-N 3.45Å; F187-F207 HydrophobicContact CD2-CE2 4.31Å; F187-F207 HydrophobicContact CE2-CE2 4.17Å; F187-F208 HydrophobicContact CE2-CD1 4.13Å; F187-F208 AromaticContact CE2-CE1 3.69Å; F187-F208 HydrophobicContact CE2-CE1 3.69Å; F187-F208 HydrophobicContact CZ-CE1 4.11Å; F187-L260 HydrophobicContact CE2-CD1 3.92Å; F187-L260 HydrophobicContact CZ-CD1 3.62Å
188L90.8Very high89.9Confident1 Ų122 Ų221%0.00510%0.1CC..Hα-helixtrans-67.2-33-179.4-74.7177.7000112.7M184 V186 L191 S192 F299 L302 L303 L306 I329M184-L188 WeakPolarHBondContact O-CB 3.35Å; M184-L188 WeakPolarHBondContact O-CG 3.44Å; M184-L188 PolarHBondContact O-N 3.37Å; V186-L188 PolarHBondContact O-N 3.14Å; L188-L191 HydrophobicContact CD2-CD2 4.25Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-S192 WeakPolarHBondContact O-CB 3.43Å; L188-S192 PolarHBondContact O-N 3.31Å; L188-S192 PolarHBondContact O-OG 3.28Å; L188-F299 HydrophobicContact CD2-CE1 4.42Å; L188-L302 HydrophobicContact CD1-CB 4.37Å; L188-L303 HydrophobicContact CB-CD2 3.96Å; L188-L303 HydrophobicContact CD1-CD2 3.89Å; L188-L303 HydrophobicContact CD1-CG 4.28Å; L188-L306 HydrophobicContact CD1-CD1 3.45Å; L188-L306 VanDerWaalsContact CD1-CD1 3.45Å; L188-I329 HydrophobicContact CD2-CD1 4.18Å; L188-I329 HydrophobicContact CD2-CG1 4.34Å
189R91.7Very high90.2Very high157 Ų15723.2 Ų23.259%0.59211%0.112SC*.Hα-helixtrans-67.5-42.9173.9-73.5168.9-175.3-101.53.7111.9Q185 V186 F187 L191 S192 S193Q185-R189 WeakPolarHBondContact O-CB 3.42Å; Q185-R189 WeakPolarHBondContact O-CD 3.48Å; Q185-R189 WeakPolarHBondContact O-CG 3.35Å; Q185-R189 PolarHBondContact O-N 3.2Å; V186-R189 PolarHBondContact O-N 2.79Å; F187-R189 VanDerWaalsContact C-N 3.33Å; F187-R189 PolarHBondContact O-N 3.35Å; R189-L191 VanDerWaalsContact C-N 3.33Å; R189-S192 PolarHBondContact O-N 2.94Å; R189-S192 PolarHBondContact O-OG 3.44Å; R189-S193 WeakPolarHBondContact O-CB 3.27Å; R189-S193 PolarHBondContact O-N 3.16Å
190Q92Very high90.2Very high7 Ų725.1 Ų25.13%0.03312%0.124CC..Hα-helixtrans-64.3-41.5173.8-71.6-175.9-38.700111.1Y81 V186 F187 S193 W194 H201 F207Y81-Q190 VanDerWaalsContact CE2-OE1 3.23Å; Y81-Q190 VanDerWaalsContact CZ-OE1 3.27Å; Y81-Q190 PolarHBondContact OH-OE1 3.26Å; V186-Q190 PolarHBondContact O-N 2.82Å; F187-Q190 PolarHBondContact O-N 2.96Å; Q190-S193 WeakPolarHBondContact O-CB 3.34Å; Q190-S193 PolarHBondContact O-N 2.76Å; Q190-W194 PolarHBondContact O-N 3.39Å; Q190-W194 VanDerWaalsContact O-N 3.1Å; Q190-H201 PolarHBondContact NE2-O 3.09Å; Q190-F207 HydrophobicContact CB-CD2 3.99Å; Q190-F207 HydrophobicContact CB-CE2 3.99Å; Q190-F207 HydrophobicContact CB-CG 4.43Å; Q190-F207 HydrophobicContact CB-CZ 4.41Å
191L92.9Very high90.2Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-62.8-44176.7-172.166.1000112.1F187 L188 R189 W194 L195 V268 F299 I329 V333F187-L191 HydrophobicContact CE1-CD2 4.1Å; F187-L191 VanDerWaalsContact O-CB 3.32Å; F187-L191 WeakPolarHBondContact O-CB 3.28Å; F187-L191 PolarHBondContact O-N 3.45Å; L188-L191 HydrophobicContact CD2-CD2 4.25Å; L188-L191 PolarHBondContact O-N 2.81Å; R189-L191 VanDerWaalsContact C-N 3.33Å; L191-W194 PolarHBondContact O-N 2.93Å; L191-L195 HydrophobicContact CD1-CD1 3.78Å; L191-L195 HydrophobicContact CD1-CG 4.24Å; L191-L195 HydrophobicContact CD2-CD1 4.48Å; L191-L195 HydrophobicContact CG-CD1 3.81Å; L191-L195 HydrophobicContact CG-CG 4.48Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.48Å; L191-V268 HydrophobicContact CD1-CB 4.43Å; L191-V268 HydrophobicContact CD1-CG1 3.51Å; L191-V268 HydrophobicContact CD1-CG2 3.94Å; L191-F299 HydrophobicContact CD2-CE1 4.26Å; L191-F299 HydrophobicContact CG-CE1 4.38Å; L191-I329 HydrophobicContact CD2-CG2 4Å; L191-V333 HydrophobicContact CD2-CG2 4.3Å
192S93.5Very high90.1Very high24 Ų2430.8 Ų30.817%0.16815%0.149CC..Hα-helixtrans-67.4-39176.967.90000111.7L188 R189 W194 L195 I196L188-S192 WeakPolarHBondContact O-CB 3.43Å; L188-S192 PolarHBondContact O-N 3.31Å; L188-S192 PolarHBondContact O-OG 3.28Å; R189-S192 PolarHBondContact O-N 2.94Å; R189-S192 PolarHBondContact O-OG 3.44Å; S192-W194 VanDerWaalsContact C-N 3.29Å; S192-W194 PolarHBondContact O-N 2.77Å; S192-L195 PolarHBondContact O-N 2.83Å; S192-I196 VanDerWaalsContact O-CB 3.26Å; S192-I196 WeakPolarHBondContact O-CB 3.4Å; S192-I196 WeakPolarHBondContact O-CG1 3.43Å; S192-I196 PolarHBondContact O-N 3.14Å
193S92.9Very high89.8Confident23 Ų2332.5 Ų32.516%0.16116%0.163CC..Hα-helixtrans-55.5-46.3175.1-175.20000111.5R189 Q190 Y197 G198 V199R189-S193 WeakPolarHBondContact O-CB 3.27Å; R189-S193 PolarHBondContact O-N 3.16Å; Q190-S193 WeakPolarHBondContact O-CB 3.34Å; Q190-S193 PolarHBondContact O-N 2.76Å; S193-Y197 CarbonylContact O-C 3.32Å; S193-Y197 WeakPolarHBondContact O-CA 3.41Å; S193-Y197 WeakPolarHBondContact O-CB 3.45Å; S193-Y197 PolarHBondContact O-N 3.3Å; S193-Y197 VanDerWaalsContact O-N 3.15Å; S193-G198 PolarHBondContact O-N 3.02Å; S193-V199 CarbonylContact C-O 3.57Å; S193-V199 VanDerWaalsContact C-O 3.28Å; S193-V199 WeakPolarHBondContact CB-O 3.39Å; S193-V199 PolarHBondContact O-N 2.88Å; S193-V199 PolarHBondContact OG-O 2.77Å
194W94.7Very high89.4Confident1 Ų136.5 Ų36.50%0.00418%0.179CC..Hα-helixtrans-73.8-43.7-179.5-179.9-116.9000113.2Q190 L191 S192 G198 V199 V200 I209 F249 V268 G272 E273Q190-W194 PolarHBondContact O-N 3.39Å; Q190-W194 VanDerWaalsContact O-N 3.1Å; L191-W194 PolarHBondContact O-N 2.93Å; S192-W194 VanDerWaalsContact C-N 3.29Å; S192-W194 PolarHBondContact O-N 2.77Å; W194-G198 WeakPolarHBondContact CZ3-O 3.33Å; W194-G198 WeakPolarHBondContact O-CA 3.49Å; W194-G198 PolarHBondContact O-N 3.29Å; W194-G198 VanDerWaalsContact O-N 3.08Å; W194-V199 PolarHBondContact N-O 2.75Å; W194-V200 HydrophobicContact CD2-CG2 3.99Å; W194-V200 HydrophobicContact CE3-CB 4.47Å; W194-V200 HydrophobicContact CE3-CG2 3.32Å; W194-V200 HydrophobicContact CH2-CG2 4.23Å; W194-V200 HydrophobicContact CZ3-CG2 3.47Å; W194-V200 VanDerWaalsContact CZ3-CG2 3.47Å; W194-I209 VanDerWaalsContact CD1-CD1 3.44Å; W194-I209 HydrophobicContact CG-CD1 4.19Å; W194-I209 HydrophobicContact CZ2-CG2 4.3Å; W194-F249 AromaticContact CH2-CD1 3.79Å; W194-F249 HydrophobicContact CH2-CD1 3.79Å; W194-F249 AromaticContact CH2-CD2 3.84Å; W194-F249 HydrophobicContact CH2-CD2 3.84Å; W194-F249 AromaticContact CH2-CE1 3.74Å; W194-F249 HydrophobicContact CH2-CE1 3.74Å; W194-F249 AromaticContact CH2-CE2 3.79Å; W194-F249 HydrophobicContact CH2-CE2 3.79Å; W194-F249 AromaticContact CH2-CG 3.83Å; W194-F249 HydrophobicContact CH2-CG 3.83Å; W194-F249 AromaticContact CH2-CZ 3.74Å; W194-F249 HydrophobicContact CH2-CZ 3.74Å; W194-F249 HydrophobicContact CZ2-CD1 4.48Å; W194-F249 HydrophobicContact CZ2-CG 4.33Å; W194-F249 HydrophobicContact CZ3-CD1 4.28Å; W194-F249 AromaticContact CZ3-CE1 3.87Å; W194-F249 HydrophobicContact CZ3-CE1 3.87Å; W194-F249 HydrophobicContact CZ3-CE2 4.41Å; W194-F249 AromaticContact CZ3-CZ 3.94Å; W194-F249 HydrophobicContact CZ3-CZ 3.94Å; W194-V268 PolarHBondContact NE1-O 3.35Å; W194-G272 VanDerWaalsContact CE2-CA 3.41Å; W194-E273 HydrophobicContact CZ2-CG 4.39Å
195L93.5Very high89.1Confident0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-81-22.9-174.2-69.8178.9000114.8L191 S192 V268 T271 F299 V333 I336L191-L195 HydrophobicContact CD1-CD1 3.78Å; L191-L195 HydrophobicContact CD1-CG 4.24Å; L191-L195 HydrophobicContact CD2-CD1 4.48Å; L191-L195 HydrophobicContact CG-CD1 3.81Å; L191-L195 HydrophobicContact CG-CG 4.48Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.48Å; S192-L195 PolarHBondContact O-N 2.83Å; L195-V268 HydrophobicContact CD2-CG1 4.04Å; L195-V268 HydrophobicContact CG-CG1 4.33Å; L195-T271 HydrophobicContact CD2-CG2 3.68Å; L195-F299 HydrophobicContact CD1-CZ 4.39Å; L195-V333 HydrophobicContact CD1-CG1 4.42Å; L195-V333 HydrophobicContact CD1-CG2 3.75Å; L195-I336 HydrophobicContact CB-CD1 4.28Å; L195-I336 HydrophobicContact CD1-CD1 4.29Å
196I91.5Very high88.9Confident1 Ų142.8 Ų42.81%0.00520%0.203CC..Hα-helixtrans-101.5-43.6-179.5-58.6179.9000110.5S192 V275 L291 E292 F299S192-I196 VanDerWaalsContact O-CB 3.26Å; S192-I196 WeakPolarHBondContact O-CB 3.4Å; S192-I196 WeakPolarHBondContact O-CG1 3.43Å; S192-I196 PolarHBondContact O-N 3.14Å; I196-V275 WeakPolarHBondContact O-CG1 3.38Å; I196-L291 HydrophobicContact CG2-CB 4.34Å; I196-E292 HydrophobicContact CG2-CB 4.19Å; I196-F299 HydrophobicContact CD1-CD2 3.77Å; I196-F299 HydrophobicContact CD1-CE2 3.89Å; I196-F299 HydrophobicContact CG1-CE2 4.22Å
197Y90Very high88.8Confident91 Ų9141.7 Ų41.736%0.35720%0.196SC..Hα-helixtrans-109.5-5.2-172.3-52.5-74.5000113.3S193 V199 T279 E292S193-Y197 CarbonylContact O-C 3.32Å; S193-Y197 WeakPolarHBondContact O-CA 3.41Å; S193-Y197 WeakPolarHBondContact O-CB 3.45Å; S193-Y197 PolarHBondContact O-N 3.3Å; S193-Y197 VanDerWaalsContact O-N 3.15Å; Y197-V199 PolarHBondContact O-N 2.85Å; Y197-T279 WeakPolarHBondContact O-CG2 3.37Å; Y197-E292 HydrophobicContact CE1-CG 4.46Å; Y197-E292 PolarHBondContact OH-OE1 2.75Å
198G88Confident88.7Confident1 Ų141.7 Ų41.71%0.0120%0.196CC..  trans67.913.5-177.300000113.6S193 W194 Y276S193-G198 PolarHBondContact O-N 3.02Å; W194-G198 WeakPolarHBondContact CZ3-O 3.33Å; W194-G198 WeakPolarHBondContact O-CA 3.49Å; W194-G198 PolarHBondContact O-N 3.29Å; W194-G198 VanDerWaalsContact O-N 3.08Å; G198-Y276 VanDerWaalsContact O-CD2 3.23Å; G198-Y276 WeakPolarHBondContact O-CD2 3.47Å
199V88.7Confident88.6Confident82 Ų8241.6 Ų41.650%0.49720%0.196SC..  trans-106.4123.5-175.6-179.70000110.6S193 W194 Y197 H201S193-V199 CarbonylContact C-O 3.57Å; S193-V199 VanDerWaalsContact C-O 3.28Å; S193-V199 WeakPolarHBondContact CB-O 3.39Å; S193-V199 PolarHBondContact O-N 2.88Å; S193-V199 PolarHBondContact OG-O 2.77Å; W194-V199 PolarHBondContact N-O 2.75Å; Y197-V199 PolarHBondContact O-N 2.85Å; V199-H201 PolarHBondContact O-N 2.97Å
200V87.8Confident88.3Confident41 Ų4137 Ų3725%0.24818%0.18CC..  trans-81.798.7171.6-174.80000109.2W194 D202 F207 I209 F249W194-V200 HydrophobicContact CD2-CG2 3.99Å; W194-V200 HydrophobicContact CE3-CB 4.47Å; W194-V200 HydrophobicContact CE3-CG2 3.32Å; W194-V200 HydrophobicContact CH2-CG2 4.23Å; W194-V200 HydrophobicContact CZ3-CG2 3.47Å; W194-V200 VanDerWaalsContact CZ3-CG2 3.47Å; V200-D202 HydrophobicContact CG1-CB 3.88Å; V200-D202 PolarHBondContact O-N 3.47Å; V200-F207 HydrophobicContact CG1-CD1 4.42Å; V200-I209 HydrophobicContact CG2-CG2 4.23Å; V200-F249 HydrophobicContact CG2-CD1 4.22Å; V200-F249 HydrophobicContact CG2-CE1 3.94Å
201H84.5Confident87.8Confident109 Ų10940.3 Ų40.351%0.50520%0.198SC..  trans-86.680.8173.5-173.9-74.6000110.7Q190 V199Q190-H201 PolarHBondContact NE2-O 3.09Å; V199-H201 PolarHBondContact O-N 2.97Å
202D84.9Confident87Confident22 Ų2244.9 Ų44.912%0.11822%0.219CC..  trans-134.775.3-177.4-169.918.5000112.8V200 Y204 Y205 E206 F207V200-D202 HydrophobicContact CG1-CB 3.88Å; V200-D202 PolarHBondContact O-N 3.47Å; D202-Y204 PolarHBondContact O-N 3.08Å; D202-Y205 PolarHBondContact OD1-N 2.91Å; D202-Y205 VanDerWaalsContact OD1-N 3.17Å; D202-Y205 WeakPolarHBondContact OD2-CA 3.36Å; D202-E206 VanDerWaalsContact CG-N 3.3Å; D202-E206 PolarHBondContact OD1-N 3.28Å; D202-E206 PolarHBondContact OD2-N 3.1Å; D202-F207 HydrophobicContact CB-CB 4.05Å; D202-F207 PolarHBondContact OD1-N 2.88Å; D202-F207 WeakPolarHBondContact OD2-CB 3.36Å; D202-F207 PolarHBondContact OD2-N 3.48Å
203P81.1Confident85.3Confident68 Ų6848.4 Ų48.444%0.44224%0.236SC..THydrogen-bonded Turntrans-66-19.9-176.625.2-33.3000114.2L80L80-P203 HydrophobicContact CD1-CG 4.12Å; L80-P203 HydrophobicContact CG-CG 4.46Å
204Y80.4Confident82.9Confident85 Ų8552.8 Ų52.833%0.33326%0.257SS..THydrogen-bonded Turntrans-118.411.9-173.9-54.6-66.9000113.6S76 Y77 L80 D202 E206S76-Y204 WeakPolarHBondContact O-CE2 3.5Å; S76-Y204 PolarHBondContact O-OH 2.96Å; Y77-Y204 WeakPolarHBondContact CA-OH 3.49Å; L80-Y204 HydrophobicContact CD2-CE2 4.21Å; L80-Y204 HydrophobicContact CG-CD2 4.07Å; L80-Y204 HydrophobicContact CG-CE2 4.18Å; D202-Y204 PolarHBondContact O-N 3.08Å; Y204-E206 VanDerWaalsContact C-N 3.31Å; Y204-E206 PolarHBondContact O-N 3.49Å
205Y81.7Confident80Confident154 Ų15458.4 Ų58.460%0.60429%0.292SS*.SBendtrans58.836.9178.9-51.6-73.4000114.4D202 N255D202-Y205 PolarHBondContact OD1-N 2.91Å; D202-Y205 VanDerWaalsContact OD1-N 3.17Å; D202-Y205 WeakPolarHBondContact OD2-CA 3.36Å; Y205-N255 PolarHBondContact O-ND2 3.4Å
206E84.9Confident77.1Confident6 Ų665.2 Ų65.23%0.02833%0.333CS..  trans-95.4-23.1-173.3-59175.3130.500113.1G79 L80 Y81 S153 C155 D202 Y204 N255G79-E206 VanDerWaalsContact C-OE1 3.26Å; G79-E206 WeakPolarHBondContact CA-OE1 3.37Å; L80-E206 WeakPolarHBondContact CB-OE2 3.39Å; L80-E206 PolarHBondContact N-OE1 3.45Å; L80-E206 PolarHBondContact N-OE2 2.83Å; Y81-E206 HydrophobicContact CD2-CB 3.69Å; Y81-E206 HydrophobicContact CD2-CG 4.34Å; Y81-E206 HydrophobicContact CE2-CB 3.82Å; S153-E206 WeakPolarHBondContact CB-OE1 3.49Å; S153-E206 VanDerWaalsContact O-CB 3.3Å; S153-E206 WeakPolarHBondContact O-CB 3.48Å; S153-E206 WeakPolarHBondContact O-CG 3.48Å; S153-E206 PolarHBondContact OG-OE1 3.22Å; C155-E206 PolarHBondContact N-O 3.4Å; C155-E206 PolarHBondContact SG-O 3.12Å; D202-E206 VanDerWaalsContact CG-N 3.3Å; D202-E206 PolarHBondContact OD1-N 3.28Å; D202-E206 PolarHBondContact OD2-N 3.1Å; Y204-E206 VanDerWaalsContact C-N 3.31Å; Y204-E206 PolarHBondContact O-N 3.49Å; E206-N255 PolarHBondContact O-ND2 3.38Å
207F88.3Confident74.2Confident2 Ų269.2 Ų69.21%0.00937%0.367CS..SBendtrans-78.9156.2-178.4-166-126.8000110.4F187 Q190 V200 D202 I209 N255F187-F207 HydrophobicContact CD2-CE2 4.31Å; F187-F207 HydrophobicContact CE2-CE2 4.17Å; Q190-F207 HydrophobicContact CB-CD2 3.99Å; Q190-F207 HydrophobicContact CB-CE2 3.99Å; Q190-F207 HydrophobicContact CB-CG 4.43Å; Q190-F207 HydrophobicContact CB-CZ 4.41Å; V200-F207 HydrophobicContact CG1-CD1 4.42Å; D202-F207 HydrophobicContact CB-CB 4.05Å; D202-F207 PolarHBondContact OD1-N 2.88Å; D202-F207 WeakPolarHBondContact OD2-CB 3.36Å; D202-F207 PolarHBondContact OD2-N 3.48Å; F207-I209 VanDerWaalsContact C-N 3.25Å; F207-I209 HydrophobicContact CD1-CB 3.74Å; F207-I209 HydrophobicContact CD1-CG1 4.13Å; F207-I209 HydrophobicContact CE1-CB 3.74Å; F207-I209 HydrophobicContact CE1-CD1 3.82Å; F207-I209 HydrophobicContact CE1-CG1 3.69Å; F207-I209 HydrophobicContact CZ-CD1 4.43Å; F207-I209 HydrophobicContact CZ-CG1 4.45Å; F207-I209 PolarHBondContact O-N 3.02Å; F207-N255 PolarHBondContact O-ND2 3Å
208F88.4Confident71.3Confident0 Ų070.2 Ų70.20%039%0.387CS..SBendtrans-81.2-4.4-177.768.6-91.6000113.2F187 I251 D252 N255 L256 A265 V268F187-F208 HydrophobicContact CE2-CD1 4.13Å; F187-F208 AromaticContact CE2-CE1 3.69Å; F187-F208 HydrophobicContact CE2-CE1 3.69Å; F187-F208 HydrophobicContact CZ-CE1 4.11Å; F208-I251 CarbonylContact O-C 3.6Å; F208-I251 WeakPolarHBondContact O-CA 3.39Å; F208-D252 PolarHBondContact O-N 2.87Å; F208-N255 HydrophobicContact CB-CB 4.27Å; F208-L256 HydrophobicContact CB-CB 4.34Å; F208-L256 HydrophobicContact CB-CD1 4.4Å; F208-L256 HydrophobicContact CD2-CD1 4.27Å; F208-L256 HydrophobicContact CG-CD1 4.18Å; F208-A265 HydrophobicContact CD2-CB 4Å; F208-A265 HydrophobicContact CE2-CB 3.87Å; F208-V268 HydrophobicContact CE2-CB 4.34Å; F208-V268 HydrophobicContact CE2-CG1 4.39Å; F208-V268 HydrophobicContact CZ-CB 4.2Å; F208-V268 HydrophobicContact CZ-CG1 4.01Å; F208-V268 HydrophobicContact CZ-CG2 4.43Å
209I88.7Confident68.5Low0 Ų075.9 Ų75.90%042%0.421CS..EExtended strand (participates in β ladder)trans-107.5118.1173.9-58-174.8000107.8W194 V200 F207 F249 V268 L269W194-I209 VanDerWaalsContact CD1-CD1 3.44Å; W194-I209 HydrophobicContact CG-CD1 4.19Å; W194-I209 HydrophobicContact CZ2-CG2 4.3Å; V200-I209 HydrophobicContact CG2-CG2 4.23Å; F207-I209 VanDerWaalsContact C-N 3.25Å; F207-I209 HydrophobicContact CD1-CB 3.74Å; F207-I209 HydrophobicContact CD1-CG1 4.13Å; F207-I209 HydrophobicContact CE1-CB 3.74Å; F207-I209 HydrophobicContact CE1-CD1 3.82Å; F207-I209 HydrophobicContact CE1-CG1 3.69Å; F207-I209 HydrophobicContact CZ-CD1 4.43Å; F207-I209 HydrophobicContact CZ-CG1 4.45Å; F207-I209 PolarHBondContact O-N 3.02Å; I209-F249 HydrophobicContact CG2-CB 4.4Å; I209-F249 HydrophobicContact CG2-CD1 4.4Å; I209-V268 HydrophobicContact CD1-CB 4.36Å; I209-V268 HydrophobicContact CD1-CG1 3.62Å; I209-L269 HydrophobicContact CG2-CD1 4.07Å
210K85.4Confident65.6Low59 Ų5980 Ų8026%0.25744%0.435SS..EExtended strand (participates in β ladder)trans-113.3146.3-179.5-69.3-171.7174.61730110.7F249 S250 D252 N255K210-F249 CarbonylContact O-C 3.52Å; K210-F249 VanDerWaalsContact O-CA 3.32Å; K210-F249 WeakPolarHBondContact O-CA 3.43Å; K210-S250 PolarHBondContact N-O 3.25Å; K210-S250 PolarHBondContact O-N 3.36Å; K210-D252 HydrophobicContact CD-CB 3.77Å; K210-D252 WeakPolarHBondContact CE-OD2 3.29Å; K210-D252 HydrophobicContact CG-CB 4.05Å; K210-D252 IonicContact NZ-OD2 3.37Å; K210-D252 PolarHBondContact NZ-OD2 2.8Å; K210-N255 WeakPolarHBondContact CE-ND2 3.36Å
211L82.8Confident63Low77 Ų7783.6 Ų83.640%0.40346%0.459SS..EExtended strand (participates in β ladder)trans-83.7119.7165.6178.663.5000108.7N213 P247 F249L211-N213 PolarHBondContact O-N 2.64Å; L211-P247 HydrophobicContact CD1-CB 3.24Å; L211-F249 HydrophobicContact CB-CD1 4.5Å; L211-F249 HydrophobicContact CB-CE1 4.45Å; L211-F249 HydrophobicContact CD1-CD1 4.16Å; L211-F249 HydrophobicContact CD1-CE1 3.89Å; L211-F249 HydrophobicContact CD1-CZ 4.25Å
212E75.2Confident60.3Low97 Ų9786 Ų8645%0.45348%0.476SS..EExtended strand (participates in β ladder)trans-70.394.3169.3-71.7-172.7165.800108.8L214 K248E212-L214 PolarHBondContact O-N 2.74Å; E212-L214 VanDerWaalsContact O-N 3.16Å; E212-K248 HydrophobicContact CB-CB 4.31Å; E212-K248 WeakPolarHBondContact CB-O 3.47Å; E212-K248 PolarHBondContact N-O 2.87Å
213N57.7Low58.1Low98 Ų9890.6 Ų90.652%0.52451%0.507SS..  trans-67.8112.4165.7-72.9-15.5000107.7L211 T215L211-N213 PolarHBondContact O-N 2.64Å; N213-T215 PolarHBondContact O-N 3.17Å
214L41.8Very low55.6Low114 Ų11492.1 Ų92.160%0.59752%0.519SS*.  trans-6436.7178.1-87.6154000114.3E212 T245E212-L214 PolarHBondContact O-N 2.74Å; E212-L214 VanDerWaalsContact O-N 3.16Å; L214-T245 HydrophobicContact CD1-CG2 4.4Å
215T35.7Very low53.3Low120 Ų12096 Ų9674%0.73654%0.544SS*.  trans-104.950.9177.553.50000111.5N213N213-T215 PolarHBondContact O-N 3.17Å
216T30.7Very low50.7Low142 Ų14296.4 Ų96.487%0.87156%0.555SS**  trans-135.742.2163.153.40000111.3
217A30.7Very low47.9Very low86 Ų86105.3 Ų105.371%0.71160%0.597SS**SBendtrans-109.1109.415600000108.7
218S29Very low45Very low112 Ų112108.5 Ų108.578%0.78363%0.631SS**SBendtrans88.4121.8159.881.50000120.1
219T29.3Very low42.1Very low119 Ų119113.8 Ų113.873%0.7367%0.668SS**  trans92.596.8140-11.50000119.6
220H28.8Very low39Very low170 Ų170123 Ų12379%0.78771%0.71SS**  trans22.5126.7140.7-64-74.5000119.6N222H220-N222 PolarHBondContact O-N 3.43Å
221P33.7Very low36.1Very low116 Ų116123.7 Ų123.775%0.75373%0.734SS**  trans-78.8114.3-177.132.8-30.9000110.4
222N28Very low33.3Very low159 Ų159130.8 Ų130.885%0.8576%0.757SS**  trans-107.8102.7158.2-85.8-14.4000108.2H220 S224H220-N222 PolarHBondContact O-N 3.43Å; N222-S224 PolarHBondContact O-N 2.96Å
223P37.7Very low31Very low118 Ų118134.6 Ų134.677%0.76677%0.773SS**  trans-92.198.9-179.534-26.4000109
224S28.8Very low29.5Very low100 Ų100137.1 Ų137.170%0.69979%0.786SS**  trans-177.7105.4158.647.30000109.4N222N222-S224 PolarHBondContact O-N 2.96Å
225I31.1Very low28.7Very low168 Ų168137.7 Ų137.786%0.86279%0.79SS**  176.795126.4-81.4149.4000105.1
226L27.1Very low28.4Very low161 Ų161139.8 Ų139.884%0.84380%0.795SS**  trans-78.9151159.9-79.2160.1000108.2
227Q26.8Very low28.2Very low194 Ų194138 Ų13891%0.90779%0.789SS**  trans101.9123.2157.9-62.2175.4-9.800118.5
228G27.4Very low28Very low69 Ų69138.8 Ų138.871%0.71179%0.789SS**  trans120.173157.400000113.3
229S26.9Very low27.9Very low111 Ų111142.7 Ų142.778%0.77679%0.792SS**  70.2111.393.8-70.20000115.4
230H24.5Very low27.8Very low193 Ų193145.1 Ų145.189%0.89480%0.801SS**  trans62.1108.3139.5-73.8-71.8000120.3
231G23.4Very low27.9Very low74 Ų74144.4 Ų144.476%0.76380%0.803SS**  110.314312700000116
232Y25.1Very low27.5Very low226 Ų226144.4 Ų144.489%0.88680%0.804SS**  trans89.486.9168.8-112.3-98000117.7
233F26.1Very low27.7Very low177 Ų177144.4 Ų144.478%0.77680%0.801SS**  28.3102.7114.7-148.2-86.6000115.4
234D26.1Very low27.6Very low150 Ų150145.2 Ų145.280%0.80280%0.804SS**  trans-151.1133146.7-146.5-0.3000111.5L236D234-L236 PolarHBondContact O-N 3.48Å
235D25.5Very low28.5Very low127 Ų127145.1 Ų145.168%0.67980%0.799SS**  trans-64.3116.5179.2-91.7-42.1000110.4
236L29.4Very low29.6Very low163 Ų163142.9 Ų142.985%0.85378%0.783SS**  trans-122.673.2162-77.2170.7000109.6D234 S238D234-L236 PolarHBondContact O-N 3.48Å; L236-S238 PolarHBondContact O-N 2.96Å; L236-S238 VanDerWaalsContact O-N 3.12Å
237S26Very low31.7Very low106 Ų106137.4 Ų137.474%0.74176%0.758SS**  trans-62.198.1154570000109.5
238S26.8Very low34.1Very low102 Ų102134.4 Ų134.471%0.71374%0.741SS**  trans16490.9147.346.10000110.8L236L236-S238 PolarHBondContact O-N 2.96Å; L236-S238 VanDerWaalsContact O-N 3.12Å
239K26.6Very low37Very low193 Ų193132.2 Ų132.284%0.83971%0.712SS**  trans-169.664151.7-103.9166.9-170.1-174.80109D241K239-D241 PolarHBondContact O-N 3.35Å; K239-D241 VanDerWaalsContact O-N 3.09Å
240N27.9Very low39.9Very low170 Ų170128.6 Ų128.691%0.90969%0.687SS**  trans-80.145171.5-84.32.1000112
241D30Very low42.9Very low156 Ų156120.9 Ų120.983%0.83465%0.652SS**  trans-118.627.6172.4-83.4-23.1000111.8K239 M243K239-D241 PolarHBondContact O-N 3.35Å; K239-D241 VanDerWaalsContact O-N 3.09Å; D241-M243 VanDerWaalsContact C-N 3.27Å; D241-M243 PolarHBondContact O-N 3.31Å
242C27Very low45.8Very low116 Ų116118.3 Ų118.378%0.78462%0.621SS**  trans-86.579.3161.4-164.20000107.3T244C242-T244 PolarHBondContact O-N 2.9Å
243M31Very low48.5Very low158 Ų158112.1 Ų112.178%0.77860%0.603SS**  trans-47.9125.9169.2-74-135.7103.300108.4D241 T245D241-M243 VanDerWaalsContact C-N 3.27Å; D241-M243 PolarHBondContact O-N 3.31Å; M243-T245 VanDerWaalsContact C-N 3.25Å; M243-T245 PolarHBondContact O-N 3.35Å
244T36.8Very low51Low135 Ų135109.7 Ų109.783%0.82859%0.594SS**  trans-56.180.2-178.949.90000111.2C242 K246C242-T244 PolarHBondContact O-N 2.9Å; T244-K246 PolarHBondContact O-N 3.32Å
245T45.9Very low53.6Low98 Ų98102.7 Ų102.760%0.60156%0.556SS**  trans-70.6104.1171.554.90000106.7L214 M243L214-T245 HydrophobicContact CD1-CG2 4.4Å; M243-T245 VanDerWaalsContact C-N 3.25Å; M243-T245 PolarHBondContact O-N 3.35Å
246K56.1Low56.3Low121 Ų12197 Ų9753%0.52653%0.526SS..PPolyproline II helixtrans-49.2137175-74.6-177.4176-176.40109.4T244 K248 P477T244-K246 PolarHBondContact O-N 3.32Å; K246-K248 PolarHBondContact O-N 2.94Å; K246-P477 PolarHBondContact NZ-O 3.1Å
247P70Confident58.8Low47 Ų4789.3 Ų89.331%0.30549%0.486SS..PPolyproline II helixtrans-58.1126.6175.818.4-26000109.9L211 F249 Y276L211-P247 HydrophobicContact CD1-CB 3.24Å; P247-F249 HydrophobicContact CB-CE2 4.45Å; P247-F249 HydrophobicContact CB-CZ 4.4Å; P247-Y276 HydrophobicContact CG-CE1 3.57Å; P247-Y276 WeakPolarHBondContact CG-OH 3.29Å
248K77.6Confident61.4Low130 Ų13088.5 Ų88.557%0.56548%0.48SS*.EExtended strand (participates in β ladder)trans-94.6130.6174.6-75.2-174.2178179.60109.3E212 K246E212-K248 HydrophobicContact CB-CB 4.31Å; E212-K248 WeakPolarHBondContact CB-O 3.47Å; E212-K248 PolarHBondContact N-O 2.87Å; K246-K248 PolarHBondContact O-N 2.94Å
249F87.9Confident63.8Low24 Ų2486.2 Ų86.211%0.10546%0.457CS..EExtended strand (participates in β ladder)trans-99.8141.9176-59.9-84.1000109.4W194 V200 I209 K210 L211 P247 L269 E273 Y276W194-F249 AromaticContact CH2-CD1 3.79Å; W194-F249 HydrophobicContact CH2-CD1 3.79Å; W194-F249 AromaticContact CH2-CD2 3.84Å; W194-F249 HydrophobicContact CH2-CD2 3.84Å; W194-F249 AromaticContact CH2-CE1 3.74Å; W194-F249 HydrophobicContact CH2-CE1 3.74Å; W194-F249 AromaticContact CH2-CE2 3.79Å; W194-F249 HydrophobicContact CH2-CE2 3.79Å; W194-F249 AromaticContact CH2-CG 3.83Å; W194-F249 HydrophobicContact CH2-CG 3.83Å; W194-F249 AromaticContact CH2-CZ 3.74Å; W194-F249 HydrophobicContact CH2-CZ 3.74Å; W194-F249 HydrophobicContact CZ2-CD1 4.48Å; W194-F249 HydrophobicContact CZ2-CG 4.33Å; W194-F249 HydrophobicContact CZ3-CD1 4.28Å; W194-F249 AromaticContact CZ3-CE1 3.87Å; W194-F249 HydrophobicContact CZ3-CE1 3.87Å; W194-F249 HydrophobicContact CZ3-CE2 4.41Å; W194-F249 AromaticContact CZ3-CZ 3.94Å; W194-F249 HydrophobicContact CZ3-CZ 3.94Å; V200-F249 HydrophobicContact CG2-CD1 4.22Å; V200-F249 HydrophobicContact CG2-CE1 3.94Å; I209-F249 HydrophobicContact CG2-CB 4.4Å; I209-F249 HydrophobicContact CG2-CD1 4.4Å; K210-F249 CarbonylContact O-C 3.52Å; K210-F249 VanDerWaalsContact O-CA 3.32Å; K210-F249 WeakPolarHBondContact O-CA 3.43Å; L211-F249 HydrophobicContact CB-CD1 4.5Å; L211-F249 HydrophobicContact CB-CE1 4.45Å; L211-F249 HydrophobicContact CD1-CD1 4.16Å; L211-F249 HydrophobicContact CD1-CE1 3.89Å; L211-F249 HydrophobicContact CD1-CZ 4.25Å; P247-F249 HydrophobicContact CB-CE2 4.45Å; P247-F249 HydrophobicContact CB-CZ 4.4Å; F249-L269 HydrophobicContact CB-CD1 3.51Å; F249-E273 HydrophobicContact CB-CG 4.44Å; F249-E273 HydrophobicContact CD2-CG 4.07Å; F249-Y276 AromaticContact CE2-CD1 3.72Å; F249-Y276 HydrophobicContact CE2-CD1 3.72Å; F249-Y276 HydrophobicContact CE2-CD2 4.4Å; F249-Y276 AromaticContact CE2-CE1 3.99Å; F249-Y276 HydrophobicContact CE2-CE1 3.99Å; F249-Y276 AromaticContact CE2-CG 3.94Å; F249-Y276 HydrophobicContact CE2-CG 3.94Å; F249-Y276 HydrophobicContact CZ-CD1 4.11Å; F249-Y276 HydrophobicContact CZ-CD2 4.02Å; F249-Y276 HydrophobicContact CZ-CE1 4.18Å; F249-Y276 HydrophobicContact CZ-CE2 4.04Å; F249-Y276 HydrophobicContact CZ-CG 4.03Å
250S88Confident66.5Low34 Ų3477.3 Ų77.324%0.23842%0.419CS..EExtended strand (participates in β ladder)trans-132.8154.1177.760.70000110.9K210K210-S250 PolarHBondContact N-O 3.25Å; K210-S250 PolarHBondContact O-N 3.36Å
251I87.9Confident69.4Low31 Ų3171.8 Ų71.816%0.15939%0.393CS..EExtended strand (participates in β ladder)trans-86.8123.6173.6-65.9157.8000108.2F208 N253 A265 Q266 L269F208-I251 CarbonylContact O-C 3.6Å; F208-I251 WeakPolarHBondContact O-CA 3.39Å; I251-N253 PolarHBondContact O-N 3.36Å; I251-A265 HydrophobicContact CD1-CB 4.08Å; I251-A265 HydrophobicContact CG1-CB 4.37Å; I251-A265 HydrophobicContact CG2-CB 4.06Å; I251-Q266 HydrophobicContact CD1-CB 4.3Å; I251-Q266 VanDerWaalsContact CD1-OE1 3.3Å; I251-L269 HydrophobicContact CD1-CB 4.19Å; I251-L269 HydrophobicContact CD1-CD2 4.02Å; I251-L269 HydrophobicContact CG1-CB 4.17Å; I251-L269 HydrophobicContact CG1-CD2 4.02Å
252D84.7Confident72.1Confident20 Ų2068.5 Ų68.511%0.10738%0.378CS..  trans-86.3105.5168.3-17511.7000111.1F208 K210 E254 N255 L256F208-D252 PolarHBondContact O-N 2.87Å; K210-D252 HydrophobicContact CD-CB 3.77Å; K210-D252 WeakPolarHBondContact CE-OD2 3.29Å; K210-D252 HydrophobicContact CG-CB 4.05Å; K210-D252 IonicContact NZ-OD2 3.37Å; K210-D252 PolarHBondContact NZ-OD2 2.8Å; D252-E254 PolarHBondContact O-N 2.77Å; D252-E254 WeakPolarHBondContact OD1-CB 3.19Å; D252-E254 PolarHBondContact OD1-N 3.03Å; D252-N255 HydrophobicContact CB-CB 4.22Å; D252-N255 PolarHBondContact O-N 3.11Å; D252-N255 PolarHBondContact OD2-ND2 3.33Å; D252-N255 VanDerWaalsContact OD2-ND2 3.14Å; D252-L256 PolarHBondContact O-N 3.38Å; D252-L256 VanDerWaalsContact O-N 3.1Å
253N80.9Confident75.1Confident97 Ų9766.4 Ų66.452%0.51937%0.365SS..THydrogen-bonded Turntrans-65.8-23.7176.8-66.4-46.4000112.8R156 I251R156-N253 PolarHBondContact NH2-O 3.12Å; I251-N253 PolarHBondContact O-N 3.36Å
254E79.3Confident77.9Confident126 Ų12658.9 Ų58.959%0.58933%0.328SS*.THydrogen-bonded Turntrans-70-39.3176.8-60.7-168.4166.400110.9R156 D252R156-E254 WeakPolarHBondContact CG-O 3.33Å; R156-E254 PolarHBondContact NE-O 3.27Å; R156-E254 VanDerWaalsContact NE-O 3.12Å; D252-E254 PolarHBondContact O-N 2.77Å; D252-E254 WeakPolarHBondContact OD1-CB 3.19Å; D252-E254 PolarHBondContact OD1-N 3.03Å
255N80.7Confident80.5Confident2 Ų252.5 Ų52.51%0.01129%0.289CS..THydrogen-bonded Turntrans-80.5-28.4179-73.9-10.7000112.8S154 C155 Y205 E206 F207 F208 K210 D252 P257S154-N255 WeakPolarHBondContact CB-OD1 3.4Å; S154-N255 PolarHBondContact OG-OD1 2.97Å; C155-N255 PolarHBondContact SG-O 2.88Å; Y205-N255 PolarHBondContact O-ND2 3.4Å; E206-N255 PolarHBondContact O-ND2 3.38Å; F207-N255 PolarHBondContact O-ND2 3Å; F208-N255 HydrophobicContact CB-CB 4.27Å; K210-N255 WeakPolarHBondContact CE-ND2 3.36Å; D252-N255 HydrophobicContact CB-CB 4.22Å; D252-N255 PolarHBondContact O-N 3.11Å; D252-N255 PolarHBondContact OD2-ND2 3.33Å; D252-N255 VanDerWaalsContact OD2-ND2 3.14Å; N255-P257 WeakPolarHBondContact O-CD 3.26Å; N255-P257 VanDerWaalsContact O-N 3.14Å
256L82.7Confident82.6Confident9 Ų951.6 Ų51.65%0.04728%0.278CS..SBendtrans-57.8113.5-175.2-178.465.3000113.4R156 F208 D252 L260 A265R156-L256 VanDerWaalsContact CZ-O 3.23Å; R156-L256 PolarHBondContact NE-O 3.15Å; R156-L256 PolarHBondContact NH2-O 3.16Å; F208-L256 HydrophobicContact CB-CB 4.34Å; F208-L256 HydrophobicContact CB-CD1 4.4Å; F208-L256 HydrophobicContact CD2-CD1 4.27Å; F208-L256 HydrophobicContact CG-CD1 4.18Å; D252-L256 PolarHBondContact O-N 3.38Å; D252-L256 VanDerWaalsContact O-N 3.1Å; L256-L260 HydrophobicContact CD1-CB 3.93Å; L256-L260 HydrophobicContact CD1-CD1 4.42Å; L256-A265 HydrophobicContact CD1-CB 3.77Å; L256-A265 HydrophobicContact CD2-CB 4.19Å
257P81.4Confident84.2Confident0 Ų048 Ų480%026%0.261CS..  trans-55.9138.7177.4-23.831.6000113.2C155 L158 N255 F259 L260C155-P257 HydrophobicContact CB-CG 3.83Å; L158-P257 HydrophobicContact CD1-CG 4.39Å; N255-P257 WeakPolarHBondContact O-CD 3.26Å; N255-P257 VanDerWaalsContact O-N 3.14Å; P257-F259 HydrophobicContact CB-CD1 3.6Å; P257-F259 HydrophobicContact CB-CE1 3.26Å; P257-F259 HydrophobicContact CB-CG 4.5Å; P257-F259 HydrophobicContact CB-CZ 3.93Å; P257-F259 HydrophobicContact CG-CE1 4.06Å; P257-F259 HydrophobicContact CG-CZ 4.38Å; P257-F259 PolarHBondContact O-N 3.37Å; P257-F259 VanDerWaalsContact O-N 3.12Å; P257-L260 HydrophobicContact CB-CD1 4.34Å; P257-L260 HydrophobicContact CB-CG 4.33Å; P257-L260 HydrophobicContact CG-CD1 4.03Å; P257-L260 WeakPolarHBondContact O-CB 3.2Å; P257-L260 PolarHBondContact O-N 2.7Å
258S79.4Confident85.2Confident90 Ų9045.8 Ų45.863%0.62925%0.246SC*.THydrogen-bonded Turntrans-60.5-26-174.769.90000114.6D159 L260D159-S258 VanDerWaalsContact CG-N 3.29Å; D159-S258 WeakPolarHBondContact OD1-CB 3.34Å; D159-S258 PolarHBondContact OD1-N 3.09Å; D159-S258 PolarHBondContact OD1-OG 3.08Å; D159-S258 WeakPolarHBondContact OD2-CB 3.34Å; D159-S258 PolarHBondContact OD2-N 3.16Å; D159-S258 PolarHBondContact OD2-OG 3.09Å; S258-L260 VanDerWaalsContact C-N 3.29Å
259F77.9Confident85.9Confident53 Ų5340.2 Ų40.223%0.23222%0.223CC..THydrogen-bonded Turntrans-77.6-14.2176.770.4-91.7000113.3L158 L162 M184 P257 I324L158-F259 HydrophobicContact CB-CE1 4.08Å; L158-F259 HydrophobicContact CD1-CE1 4.18Å; L158-F259 HydrophobicContact CD1-CZ 4.37Å; L162-F259 HydrophobicContact CD1-CD1 4.21Å; M184-F259 HydrophobicContact CE-CZ 4.07Å; P257-F259 HydrophobicContact CB-CD1 3.6Å; P257-F259 HydrophobicContact CB-CE1 3.26Å; P257-F259 HydrophobicContact CB-CG 4.5Å; P257-F259 HydrophobicContact CB-CZ 3.93Å; P257-F259 HydrophobicContact CG-CE1 4.06Å; P257-F259 HydrophobicContact CG-CZ 4.38Å; P257-F259 PolarHBondContact O-N 3.37Å; P257-F259 VanDerWaalsContact O-N 3.12Å; F259-I324 HydrophobicContact CE1-CD1 4.25Å; F259-I324 HydrophobicContact CE2-CD1 4.15Å; F259-I324 HydrophobicContact CE2-CG2 4.43Å; F259-I324 HydrophobicContact CZ-CD1 3.93Å
260L84.2Confident85.8Confident6 Ų640.9 Ų40.93%0.03123%0.226CC..SBendtrans-94.7118.4177.8-64.3-178.8000110F187 L256 P257 S258 F264 F326F187-L260 HydrophobicContact CE2-CD1 3.92Å; F187-L260 HydrophobicContact CZ-CD1 3.62Å; L256-L260 HydrophobicContact CD1-CB 3.93Å; L256-L260 HydrophobicContact CD1-CD1 4.42Å; P257-L260 HydrophobicContact CB-CD1 4.34Å; P257-L260 HydrophobicContact CB-CG 4.33Å; P257-L260 HydrophobicContact CG-CD1 4.03Å; P257-L260 WeakPolarHBondContact O-CB 3.2Å; P257-L260 PolarHBondContact O-N 2.7Å; S258-L260 VanDerWaalsContact C-N 3.29Å; L260-F264 HydrophobicContact CB-CD1 4.41Å; L260-F264 HydrophobicContact CD1-CD1 4.36Å; L260-F264 HydrophobicContact CD1-CE1 4.24Å; L260-F264 HydrophobicContact CD2-CD1 4.04Å; L260-F264 HydrophobicContact CD2-CE1 4.08Å; L260-F326 HydrophobicContact CD2-CD2 3.52Å; L260-F326 HydrophobicContact CD2-CE2 3.45Å; L260-F326 VanDerWaalsContact CD2-CE2 3.45Å
261P87.1Confident85.9Confident55 Ų5539.4 Ų39.436%0.35722%0.216SC..  trans-62145.5174.3-21.732.9000111.8S263 F264 A265 F326P261-S263 PolarHBondContact O-N 3.49Å; P261-S263 VanDerWaalsContact O-N 3.13Å; P261-F264 WeakPolarHBondContact O-CA 3.42Å; P261-F264 VanDerWaalsContact O-CB 3.3Å; P261-F264 WeakPolarHBondContact O-CB 3.21Å; P261-F264 PolarHBondContact O-N 3.36Å; P261-A265 PolarHBondContact O-N 3.19Å; P261-F326 HydrophobicContact CG-CE1 4.35Å; P261-F326 HydrophobicContact CG-CZ 4.11Å
262T87.6Confident86Confident86 Ų8637.9 Ų37.953%0.52821%0.208SC..Hα-helixtrans-57.1-31.1173.9-43.20000112.3F264 A265 Q266T262-F264 VanDerWaalsContact C-N 3.28Å; T262-F264 PolarHBondContact O-N 3.26Å; T262-A265 PolarHBondContact O-N 3.41Å; T262-Q266 WeakPolarHBondContact O-CB 3.43Å; T262-Q266 PolarHBondContact O-N 3.25Å
263S89.4Confident86.2Confident73 Ų7339.8 Ų39.851%0.5122%0.216SC..Hα-helixtrans-66.7-25174.263.70000113.8P261 R267P261-S263 PolarHBondContact O-N 3.49Å; P261-S263 VanDerWaalsContact O-N 3.13Å; S263-R267 VanDerWaalsContact O-CG 3.32Å; S263-R267 WeakPolarHBondContact O-CG 3.34Å; S263-R267 PolarHBondContact O-N 3.42Å; S263-R267 PolarHBondContact O-NE 2.99Å
264F90.2Very high86.4Confident0 Ų035.5 Ų35.50%019%0.194CC..Hα-helixtrans-73.9-46.5170.6174-93.5000110.3L260 P261 T262 Q266 R267 V268 F326 I329 V333L260-F264 HydrophobicContact CB-CD1 4.41Å; L260-F264 HydrophobicContact CD1-CD1 4.36Å; L260-F264 HydrophobicContact CD1-CE1 4.24Å; L260-F264 HydrophobicContact CD2-CD1 4.04Å; L260-F264 HydrophobicContact CD2-CE1 4.08Å; P261-F264 WeakPolarHBondContact O-CA 3.42Å; P261-F264 VanDerWaalsContact O-CB 3.3Å; P261-F264 WeakPolarHBondContact O-CB 3.21Å; P261-F264 PolarHBondContact O-N 3.36Å; T262-F264 VanDerWaalsContact C-N 3.28Å; T262-F264 PolarHBondContact O-N 3.26Å; F264-Q266 VanDerWaalsContact C-N 3.31Å; F264-Q266 PolarHBondContact O-N 2.9Å; F264-R267 WeakPolarHBondContact O-CB 3.5Å; F264-R267 PolarHBondContact O-N 3.48Å; F264-R267 VanDerWaalsContact O-N 3.11Å; F264-V268 HydrophobicContact CD1-CG2 4.14Å; F264-V268 HydrophobicContact CE1-CG2 3.71Å; F264-V268 HydrophobicContact CE2-CG2 4.23Å; F264-V268 HydrophobicContact CZ-CG2 3.76Å; F264-V268 WeakPolarHBondContact O-CG2 3.31Å; F264-V268 PolarHBondContact O-N 3.48Å; F264-F326 HydrophobicContact CB-CE2 4.27Å; F264-F326 HydrophobicContact CB-CZ 4.05Å; F264-F326 HydrophobicContact CD1-CE2 4.32Å; F264-F326 AromaticContact CD2-CE2 3.8Å; F264-F326 HydrophobicContact CD2-CE2 3.8Å; F264-F326 AromaticContact CD2-CZ 3.92Å; F264-F326 HydrophobicContact CD2-CZ 3.92Å; F264-F326 HydrophobicContact CE2-CE2 4.2Å; F264-F326 AromaticContact CG-CE2 3.87Å; F264-F326 HydrophobicContact CG-CE2 3.87Å; F264-F326 HydrophobicContact CG-CZ 4.05Å; F264-I329 HydrophobicContact CE2-CG2 4.24Å; F264-I329 HydrophobicContact CZ-CG2 3.89Å; F264-V333 HydrophobicContact CE2-CB 3.91Å; F264-V333 HydrophobicContact CE2-CG1 4.18Å; F264-V333 HydrophobicContact CE2-CG2 3.64Å; F264-V333 HydrophobicContact CZ-CG2 3.81Å
265A91.1Very high86.8Confident0 Ų029.5 Ų29.50%017%0.166CC..Hα-helixtrans-57.9-43.7176.600000112.1F208 I251 L256 P261 T262 R267 V268 L269F208-A265 HydrophobicContact CD2-CB 4Å; F208-A265 HydrophobicContact CE2-CB 3.87Å; I251-A265 HydrophobicContact CD1-CB 4.08Å; I251-A265 HydrophobicContact CG1-CB 4.37Å; I251-A265 HydrophobicContact CG2-CB 4.06Å; L256-A265 HydrophobicContact CD1-CB 3.77Å; L256-A265 HydrophobicContact CD2-CB 4.19Å; P261-A265 PolarHBondContact O-N 3.19Å; T262-A265 PolarHBondContact O-N 3.41Å; A265-R267 VanDerWaalsContact C-N 3.34Å; A265-R267 PolarHBondContact O-N 2.93Å; A265-V268 PolarHBondContact O-N 2.9Å; A265-L269 PolarHBondContact O-N 3.41Å
266Q90.2Very high87.2Confident80 Ų8032.2 Ų32.237%0.37418%0.177SC..Hα-helixtrans-59.1-42.6175-172.663.822.600112.4I251 T262 F264 L269 E270I251-Q266 HydrophobicContact CD1-CB 4.3Å; I251-Q266 VanDerWaalsContact CD1-OE1 3.3Å; T262-Q266 WeakPolarHBondContact O-CB 3.43Å; T262-Q266 PolarHBondContact O-N 3.25Å; F264-Q266 VanDerWaalsContact C-N 3.31Å; F264-Q266 PolarHBondContact O-N 2.9Å; Q266-L269 PolarHBondContact O-N 2.96Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.48Å; Q266-E270 PolarHBondContact NE2-OE1 2.85Å; Q266-E270 WeakPolarHBondContact O-CB 3.26Å; Q266-E270 VanDerWaalsContact O-CG 3.27Å; Q266-E270 WeakPolarHBondContact O-CG 3.28Å; Q266-E270 PolarHBondContact O-N 2.8Å
267R89.2Confident87.1Confident45 Ų4534.5 Ų34.517%0.1719%0.193CC..Hα-helixtrans-63.5-44.6175.6-76.3179.5-78.1157.3-3.5111.8S263 F264 A265 E270 T271 S330 C334S263-R267 VanDerWaalsContact O-CG 3.32Å; S263-R267 WeakPolarHBondContact O-CG 3.34Å; S263-R267 PolarHBondContact O-N 3.42Å; S263-R267 PolarHBondContact O-NE 2.99Å; F264-R267 WeakPolarHBondContact O-CB 3.5Å; F264-R267 PolarHBondContact O-N 3.48Å; F264-R267 VanDerWaalsContact O-N 3.11Å; A265-R267 VanDerWaalsContact C-N 3.34Å; A265-R267 PolarHBondContact O-N 2.93Å; R267-E270 PolarHBondContact O-N 3.08Å; R267-T271 WeakPolarHBondContact O-CB 3.05Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 3.42Å; R267-S330 PolarHBondContact NH1-OG 2.89Å; R267-C334 PolarHBondContact NH1-SG 2.81Å
268V92.9Very high87.3Confident0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-63.5-42.1178.7179.40000111.2L191 W194 L195 F208 I209 F264 A265 G272 V333L191-V268 HydrophobicContact CD1-CB 4.43Å; L191-V268 HydrophobicContact CD1-CG1 3.51Å; L191-V268 HydrophobicContact CD1-CG2 3.94Å; W194-V268 PolarHBondContact NE1-O 3.35Å; L195-V268 HydrophobicContact CD2-CG1 4.04Å; L195-V268 HydrophobicContact CG-CG1 4.33Å; F208-V268 HydrophobicContact CE2-CB 4.34Å; F208-V268 HydrophobicContact CE2-CG1 4.39Å; F208-V268 HydrophobicContact CZ-CB 4.2Å; F208-V268 HydrophobicContact CZ-CG1 4.01Å; F208-V268 HydrophobicContact CZ-CG2 4.43Å; I209-V268 HydrophobicContact CD1-CB 4.36Å; I209-V268 HydrophobicContact CD1-CG1 3.62Å; F264-V268 HydrophobicContact CD1-CG2 4.14Å; F264-V268 HydrophobicContact CE1-CG2 3.71Å; F264-V268 HydrophobicContact CE2-CG2 4.23Å; F264-V268 HydrophobicContact CZ-CG2 3.76Å; F264-V268 WeakPolarHBondContact O-CG2 3.31Å; F264-V268 PolarHBondContact O-N 3.48Å; A265-V268 PolarHBondContact O-N 2.9Å; V268-G272 PolarHBondContact O-N 2.91Å; V268-V333 HydrophobicContact CG2-CG1 3.9Å; V268-V333 HydrophobicContact CG2-CG2 4.39Å
269L90.8Very high87.5Confident13 Ų1332.6 Ų32.67%0.06818%0.178CC..Hα-helixtrans-58.1-56.417418073.3000110.3I209 F249 I251 A265 Q266 T271 G272 E273I209-L269 HydrophobicContact CG2-CD1 4.07Å; F249-L269 HydrophobicContact CB-CD1 3.51Å; I251-L269 HydrophobicContact CD1-CB 4.19Å; I251-L269 HydrophobicContact CD1-CD2 4.02Å; I251-L269 HydrophobicContact CG1-CB 4.17Å; I251-L269 HydrophobicContact CG1-CD2 4.02Å; A265-L269 PolarHBondContact O-N 3.41Å; Q266-L269 PolarHBondContact O-N 2.96Å; L269-T271 VanDerWaalsContact C-N 3.3Å; L269-T271 PolarHBondContact O-N 3.33Å; L269-G272 PolarHBondContact O-N 3.04Å; L269-E273 HydrophobicContact CD1-CG 4.39Å; L269-E273 HydrophobicContact CG-CG 4.42Å; L269-E273 WeakPolarHBondContact O-CB 3.36Å; L269-E273 WeakPolarHBondContact O-CG 3.38Å; L269-E273 PolarHBondContact O-N 3.21Å
270E86.6Confident87.5Confident38 Ų3835.4 Ų35.418%0.17819%0.192CC..Hα-helixtrans-60.6-38.9-175.2-75.2171.3-169.500113.3Q266 R267 A274 R481 R576Q266-E270 WeakPolarHBondContact CG-OE1 3.48Å; Q266-E270 PolarHBondContact NE2-OE1 2.85Å; Q266-E270 WeakPolarHBondContact O-CB 3.26Å; Q266-E270 VanDerWaalsContact O-CG 3.27Å; Q266-E270 WeakPolarHBondContact O-CG 3.28Å; Q266-E270 PolarHBondContact O-N 2.8Å; R267-E270 PolarHBondContact O-N 3.08Å; E270-A274 PolarHBondContact O-N 3.23Å; E270-R481 PolarHBondContact O-NH2 2.97Å; E270-R576 IonicContact OE2-CZ 2.72Å; E270-R576 IonicContact OE2-NH1 2.7Å; E270-R576 PolarHBondContact OE2-NH1 3.41Å
271T89.1Confident87.2Confident3 Ų338.8 Ų38.82%0.01821%0.21CC..Hα-helixtrans-70-48.6178.2-62.80000111.1L195 R267 L269 E273 A274 V275 I336 Q337 V340L195-T271 HydrophobicContact CD2-CG2 3.68Å; R267-T271 WeakPolarHBondContact O-CB 3.05Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 3.42Å; L269-T271 VanDerWaalsContact C-N 3.3Å; L269-T271 PolarHBondContact O-N 3.33Å; T271-E273 PolarHBondContact O-N 3.4Å; T271-A274 WeakPolarHBondContact O-CB 3.17Å; T271-A274 PolarHBondContact O-N 3.27Å; T271-V275 WeakPolarHBondContact O-CG2 3.45Å; T271-V275 PolarHBondContact O-N 3.43Å; T271-V275 VanDerWaalsContact O-N 3.08Å; T271-I336 HydrophobicContact CG2-CG2 3.87Å; T271-Q337 HydrophobicContact CG2-CB 4.47Å; T271-Q337 WeakPolarHBondContact OG1-CB 3.45Å; T271-Q337 WeakPolarHBondContact OG1-CG 3.47Å; T271-V340 HydrophobicContact CG2-CB 4.18Å; T271-V340 HydrophobicContact CG2-CG1 4.33Å; T271-V340 HydrophobicContact CG2-CG2 3.95Å
272G90.4Very high86.7Confident0 Ų041.8 Ų41.80%023%0.229CC..Hα-helixtrans-72.7-26.5-179.300000113.6W194 V268 L269 A274 V275 Y276W194-G272 VanDerWaalsContact CE2-CA 3.41Å; V268-G272 PolarHBondContact O-N 2.91Å; L269-G272 PolarHBondContact O-N 3.04Å; G272-A274 VanDerWaalsContact C-N 3.29Å; G272-A274 PolarHBondContact O-N 3.15Å; G272-V275 PolarHBondContact O-N 3.26Å; G272-Y276 VanDerWaalsContact O-CB 3.23Å; G272-Y276 WeakPolarHBondContact O-CB 3.43Å; G272-Y276 PolarHBondContact O-N 2.85Å
273E88.3Confident86.2Confident59 Ų5941.2 Ų41.228%0.27623%0.229SC..Hα-helixtrans-59.9-40.8168.4-78.7-179.1153.900111.9W194 F249 L269 T271 Y276 S277 R481W194-E273 HydrophobicContact CZ2-CG 4.39Å; F249-E273 HydrophobicContact CB-CG 4.44Å; F249-E273 HydrophobicContact CD2-CG 4.07Å; L269-E273 HydrophobicContact CD1-CG 4.39Å; L269-E273 HydrophobicContact CG-CG 4.42Å; L269-E273 WeakPolarHBondContact O-CB 3.36Å; L269-E273 WeakPolarHBondContact O-CG 3.38Å; L269-E273 PolarHBondContact O-N 3.21Å; T271-E273 PolarHBondContact O-N 3.4Å; E273-Y276 PolarHBondContact O-N 3.17Å; E273-S277 PolarHBondContact O-N 2.82Å; E273-S277 PolarHBondContact O-OG 3.18Å; E273-R481 IonicContact OE2-NH2 2.81Å; E273-R481 PolarHBondContact OE2-NH2 3.32Å
274A85.4Confident85.9Confident7 Ų738.5 Ų38.56%0.05821%0.208CC..Hα-helixtrans-69.3-38.6177.600000111.9E270 T271 G272 S277 A278 V340E270-A274 PolarHBondContact O-N 3.23Å; T271-A274 WeakPolarHBondContact O-CB 3.17Å; T271-A274 PolarHBondContact O-N 3.27Å; G272-A274 VanDerWaalsContact C-N 3.29Å; G272-A274 PolarHBondContact O-N 3.15Å; A274-S277 WeakPolarHBondContact CA-OG 3.24Å; A274-S277 PolarHBondContact O-N 3.47Å; A274-S277 PolarHBondContact O-OG 3.32Å; A274-A278 PolarHBondContact O-N 2.86Å; A274-A278 VanDerWaalsContact O-N 3.12Å; A274-V340 HydrophobicContact CB-CG1 3.56Å
275V88.6Confident85.5Confident0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-68.9-36.7173.4179.30000111.1I196 T271 G272 A278 T279 L288 L291 V340I196-V275 WeakPolarHBondContact O-CG1 3.38Å; T271-V275 WeakPolarHBondContact O-CG2 3.45Å; T271-V275 PolarHBondContact O-N 3.43Å; T271-V275 VanDerWaalsContact O-N 3.08Å; G272-V275 PolarHBondContact O-N 3.26Å; V275-A278 VanDerWaalsContact O-CB 3.31Å; V275-A278 WeakPolarHBondContact O-CB 3.48Å; V275-A278 PolarHBondContact O-N 3.46Å; V275-T279 WeakPolarHBondContact O-CG2 3.49Å; V275-T279 PolarHBondContact O-N 3.47Å; V275-L288 HydrophobicContact CG1-CD2 3.88Å; V275-L291 HydrophobicContact CG1-CD1 4.3Å; V275-L291 HydrophobicContact CG2-CD1 3.99Å; V275-V340 HydrophobicContact CG2-CG1 3.98Å; V275-V340 HydrophobicContact CG2-CG2 3.72Å
276Y88.3Confident85.3Confident60 Ų6045.1 Ų45.124%0.23526%0.257CS..Hα-helixtrans-63.4-45.1175.1178.1-97000111.2G198 P247 F249 G272 E273 A278 T279 H280G198-Y276 VanDerWaalsContact O-CD2 3.23Å; G198-Y276 WeakPolarHBondContact O-CD2 3.47Å; P247-Y276 HydrophobicContact CG-CE1 3.57Å; P247-Y276 WeakPolarHBondContact CG-OH 3.29Å; F249-Y276 AromaticContact CE2-CD1 3.72Å; F249-Y276 HydrophobicContact CE2-CD1 3.72Å; F249-Y276 HydrophobicContact CE2-CD2 4.4Å; F249-Y276 AromaticContact CE2-CE1 3.99Å; F249-Y276 HydrophobicContact CE2-CE1 3.99Å; F249-Y276 AromaticContact CE2-CG 3.94Å; F249-Y276 HydrophobicContact CE2-CG 3.94Å; F249-Y276 HydrophobicContact CZ-CD1 4.11Å; F249-Y276 HydrophobicContact CZ-CD2 4.02Å; F249-Y276 HydrophobicContact CZ-CE1 4.18Å; F249-Y276 HydrophobicContact CZ-CE2 4.04Å; F249-Y276 HydrophobicContact CZ-CG 4.03Å; G272-Y276 VanDerWaalsContact O-CB 3.23Å; G272-Y276 WeakPolarHBondContact O-CB 3.43Å; G272-Y276 PolarHBondContact O-N 2.85Å; E273-Y276 PolarHBondContact O-N 3.17Å; Y276-A278 VanDerWaalsContact C-N 3.26Å; Y276-A278 PolarHBondContact O-N 3.28Å; Y276-T279 PolarHBondContact O-N 3.5Å; Y276-T279 PolarHBondContact O-OG1 3.22Å; Y276-H280 AromaticContact CD2-CE1 3.78Å; Y276-H280 AromaticContact CE1-CE1 3.61Å; Y276-H280 AromaticContact CE1-ND1 3.93Å; Y276-H280 AromaticContact CE2-CE1 3.22Å; Y276-H280 WeakPolarHBondContact CE2-CE1 3.25Å; Y276-H280 AromaticContact CZ-CE1 3.1Å; Y276-H280 AromaticContact CZ-ND1 3.87Å; Y276-H280 AromaticContact CZ-NE2 3.61Å; Y276-H280 PolarHBondContact O-ND1 3.32Å; Y276-H280 PolarHBondContact OH-CE1 3.02Å; Y276-H280 VanDerWaalsContact OH-CE1 3.25Å; Y276-H280 PolarHBondContact OH-NE2 3.3Å
277S81.8Confident85.1Confident56 Ų5641.5 Ų41.539%0.39224%0.24SC..Hα-helixtrans-58-42.2172.946.50000111.7E273 A274 T279 H280E273-S277 PolarHBondContact O-N 2.82Å; E273-S277 PolarHBondContact O-OG 3.18Å; A274-S277 WeakPolarHBondContact CA-OG 3.24Å; A274-S277 PolarHBondContact O-N 3.47Å; A274-S277 PolarHBondContact O-OG 3.32Å; S277-T279 VanDerWaalsContact C-N 3.28Å; S277-T279 PolarHBondContact O-N 3.46Å; S277-H280 PolarHBondContact O-N 2.92Å; S277-H280 VanDerWaalsContact O-N 3.14Å
278A83.8Confident85.1Confident1 Ų141 Ų411%0.00824%0.241CC..Hα-helixtrans-59.5-37.2177.900000113.5A274 V275 Y276 H280 D281 E284 F287 L288A274-A278 PolarHBondContact O-N 2.86Å; A274-A278 VanDerWaalsContact O-N 3.12Å; V275-A278 VanDerWaalsContact O-CB 3.31Å; V275-A278 WeakPolarHBondContact O-CB 3.48Å; V275-A278 PolarHBondContact O-N 3.46Å; Y276-A278 VanDerWaalsContact C-N 3.26Å; Y276-A278 PolarHBondContact O-N 3.28Å; A278-H280 PolarHBondContact O-N 2.89Å; A278-D281 PolarHBondContact O-N 2.89Å; A278-E284 WeakPolarHBondContact CA-OE2 3.41Å; A278-E284 HydrophobicContact CB-CB 4.17Å; A278-E284 WeakPolarHBondContact CB-OE2 3.45Å; A278-F287 HydrophobicContact CB-CD1 4.19Å; A278-F287 HydrophobicContact CB-CE1 4.31Å; A278-L288 HydrophobicContact CB-CD2 4.3Å
279T84.6Confident84.9Confident50 Ų5046.3 Ų46.331%0.30727%0.269SS..Hα-helixtrans-66.8-19.9-179.865.60000114.3Y197 V275 Y276 S277 L288Y197-T279 WeakPolarHBondContact O-CG2 3.37Å; V275-T279 WeakPolarHBondContact O-CG2 3.49Å; V275-T279 PolarHBondContact O-N 3.47Å; Y276-T279 PolarHBondContact O-N 3.5Å; Y276-T279 PolarHBondContact O-OG1 3.22Å; S277-T279 VanDerWaalsContact C-N 3.28Å; S277-T279 PolarHBondContact O-N 3.46Å; T279-L288 HydrophobicContact CG2-CD1 3.7Å; T279-L288 HydrophobicContact CG2-CD2 3.95Å
280H78.9Confident84.8Confident112 Ų11250.3 Ų50.352%0.51929%0.287SS..Hα-helixtrans-90-13.8178.8-6770000112.4Y276 S277 A278Y276-H280 AromaticContact CD2-CE1 3.78Å; Y276-H280 AromaticContact CE1-CE1 3.61Å; Y276-H280 AromaticContact CE1-ND1 3.93Å; Y276-H280 AromaticContact CE2-CE1 3.22Å; Y276-H280 WeakPolarHBondContact CE2-CE1 3.25Å; Y276-H280 AromaticContact CZ-CE1 3.1Å; Y276-H280 AromaticContact CZ-ND1 3.87Å; Y276-H280 AromaticContact CZ-NE2 3.61Å; Y276-H280 PolarHBondContact O-ND1 3.32Å; Y276-H280 PolarHBondContact OH-CE1 3.02Å; Y276-H280 VanDerWaalsContact OH-CE1 3.25Å; Y276-H280 PolarHBondContact OH-NE2 3.3Å; S277-H280 PolarHBondContact O-N 2.92Å; S277-H280 VanDerWaalsContact O-N 3.14Å; A278-H280 PolarHBondContact O-N 2.89Å
281D77.7Confident85Confident76 Ų7648.5 Ų48.541%0.40628%0.279SS..  trans-103.1113-179.1-72.5-35.7000110.5A278 S283 E284A278-D281 PolarHBondContact O-N 2.89Å; D281-S283 PolarHBondContact O-N 3.35Å; D281-S283 VanDerWaalsContact O-N 3.12Å; D281-E284 HydrophobicContact CB-CG 4.15Å; D281-E284 PolarHBondContact O-N 3.47Å
282P75.6Confident85Confident118 Ų11852 Ų5277%0.76630%0.295SS*.G310 helixtrans-65.4-20-173.926.2-34.8000113.6E284P282-E284 PolarHBondContact O-N 3.39Å
283S77.8Confident85.1Confident74 Ų7459.8 Ų59.852%0.51733%0.329SS..G310 helixtrans-66.1-24.6173.644.90000113D281D281-S283 PolarHBondContact O-N 3.35Å; D281-S283 VanDerWaalsContact O-N 3.12Å
284E82.5Confident85.2Confident17 Ų1760.2 Ų60.28%0.07933%0.333CS..G310 helixtrans-94.38-174.5-54-155.3150.700113.4A278 D281 P282 S286 F287 L288 H343 S347A278-E284 WeakPolarHBondContact CA-OE2 3.41Å; A278-E284 HydrophobicContact CB-CB 4.17Å; A278-E284 WeakPolarHBondContact CB-OE2 3.45Å; D281-E284 HydrophobicContact CB-CG 4.15Å; D281-E284 PolarHBondContact O-N 3.47Å; P282-E284 PolarHBondContact O-N 3.39Å; E284-S286 PolarHBondContact O-N 2.87Å; E284-F287 WeakPolarHBondContact O-CB 3.47Å; E284-F287 PolarHBondContact O-N 3.39Å; E284-L288 PolarHBondContact O-N 3.13Å; E284-H343 IonicContact OE1-CE1 3.24Å; E284-H343 PolarHBondContact OE1-CE1 2.9Å; E284-H343 IonicContact OE2-CE1 2.73Å; E284-S347 PolarHBondContact OE1-OG 3.16Å
285A82.9Confident85.5Confident53 Ų5360.3 Ų60.344%0.43833%0.332SS..Hα-helixtrans-57.9-33178.300000113.3F287 L289A285-F287 VanDerWaalsContact C-N 3.35Å; A285-L289 WeakPolarHBondContact O-CG 3.3Å; A285-L289 PolarHBondContact O-N 3.41Å
286S85.2Confident85.7Confident85 Ų8561.9 Ų61.959%0.59434%0.342SS*.Hα-helixtrans-65.2-37.6176.354.40000112.6E284 L289 E290E284-S286 PolarHBondContact O-N 2.87Å; S286-L289 PolarHBondContact O-N 3.06Å; S286-E290 PolarHBondContact O-N 2.93Å; S286-E290 VanDerWaalsContact O-N 3.08Å
287F87.5Confident85.8Confident4 Ų462.8 Ų62.82%0.01836%0.356CS..Hα-helixtrans-68.6-41.5178.2166.8-111.1000111.9A278 E284 A285 L289 E290 L291 I339 V340 H343A278-F287 HydrophobicContact CB-CD1 4.19Å; A278-F287 HydrophobicContact CB-CE1 4.31Å; E284-F287 WeakPolarHBondContact O-CB 3.47Å; E284-F287 PolarHBondContact O-N 3.39Å; A285-F287 VanDerWaalsContact C-N 3.35Å; F287-L289 VanDerWaalsContact C-N 3.31Å; F287-L289 PolarHBondContact O-N 3.03Å; F287-E290 WeakPolarHBondContact O-CB 3.37Å; F287-E290 PolarHBondContact O-N 3.48Å; F287-E290 VanDerWaalsContact O-N 3.1Å; F287-L291 HydrophobicContact CD1-CD1 4.35Å; F287-L291 HydrophobicContact CD2-CG 4.45Å; F287-L291 HydrophobicContact CE1-CD1 3.63Å; F287-L291 HydrophobicContact CE1-CG 4.23Å; F287-L291 HydrophobicContact CE2-CD1 4.19Å; F287-L291 HydrophobicContact CE2-CD2 4.08Å; F287-L291 HydrophobicContact CE2-CG 3.94Å; F287-L291 HydrophobicContact CZ-CD1 3.54Å; F287-L291 HydrophobicContact CZ-CD2 4.08Å; F287-L291 HydrophobicContact CZ-CG 3.83Å; F287-L291 PolarHBondContact O-N 3.16Å; F287-I339 HydrophobicContact CE2-CG2 4.24Å; F287-V340 HydrophobicContact CZ-CB 4.34Å; F287-V340 HydrophobicContact CZ-CG2 3.93Å; F287-H343 WeakPolarHBondContact CB-NE2 3.37Å; F287-H343 AromaticContact CD1-CE1 3.91Å; F287-H343 AromaticContact CD1-ND1 3.8Å; F287-H343 HydrophobicContact CD2-CB 3.85Å; F287-H343 AromaticContact CD2-CD2 3.33Å; F287-H343 WeakPolarHBondContact CD2-CD2 3.45Å; F287-H343 AromaticContact CD2-CG 3.41Å; F287-H343 VanDerWaalsContact CD2-CG 3.41Å; F287-H343 AromaticContact CD2-ND1 3.95Å; F287-H343 AromaticContact CD2-NE2 3.86Å; F287-H343 HydrophobicContact CE2-CB 3.49Å; F287-H343 VanDerWaalsContact CE2-CB 3.49Å; F287-H343 AromaticContact CE2-CD2 3.94Å; F287-H343 AromaticContact CE2-CG 3.56Å; F287-H343 AromaticContact CG-CD2 3.58Å; F287-H343 AromaticContact CG-CE1 3.68Å; F287-H343 AromaticContact CG-CG 3.69Å; F287-H343 AromaticContact CG-ND1 3.75Å; F287-H343 AromaticContact CG-NE2 3.59Å; F287-H343 HydrophobicContact CZ-CB 3.9Å; F287-H343 AromaticContact CZ-CG 3.97Å
288L87.7Confident86.2Confident36 Ų3664 Ų6419%0.18835%0.352CS..Hα-helixtrans-63-39.2176.3-62.9174.6000111.9V275 A278 T279 E284 E290 L291 E292V275-L288 HydrophobicContact CG1-CD2 3.88Å; A278-L288 HydrophobicContact CB-CD2 4.3Å; T279-L288 HydrophobicContact CG2-CD1 3.7Å; T279-L288 HydrophobicContact CG2-CD2 3.95Å; E284-L288 PolarHBondContact O-N 3.13Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-E290 PolarHBondContact O-N 3.31Å; L288-L291 PolarHBondContact O-N 3.35Å; L288-E292 WeakPolarHBondContact O-CB 3.48Å; L288-E292 PolarHBondContact O-N 3.35Å
289L88.5Confident86.5Confident110 Ų11064.2 Ų64.258%0.57635%0.352SS*.Hα-helixtrans-65-34.7173.3-70.4172000112.3A285 S286 F287 K293A285-L289 WeakPolarHBondContact O-CG 3.3Å; A285-L289 PolarHBondContact O-N 3.41Å; S286-L289 PolarHBondContact O-N 3.06Å; F287-L289 VanDerWaalsContact C-N 3.31Å; F287-L289 PolarHBondContact O-N 3.03Å; L289-K293 VanDerWaalsContact O-CB 3.26Å; L289-K293 WeakPolarHBondContact O-CB 3.5Å; L289-K293 PolarHBondContact O-N 3.18Å
290E89.8Confident86.7Confident97 Ų9765.8 Ų65.845%0.45336%0.362SS..Hα-helixtrans-66.2-44.7173.6-178.1175-17600111.6S286 F287 L288 K293 N294S286-E290 PolarHBondContact O-N 2.93Å; S286-E290 VanDerWaalsContact O-N 3.08Å; F287-E290 WeakPolarHBondContact O-CB 3.37Å; F287-E290 PolarHBondContact O-N 3.48Å; F287-E290 VanDerWaalsContact O-N 3.1Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-E290 PolarHBondContact O-N 3.31Å; E290-K293 PolarHBondContact O-N 2.93Å; E290-N294 WeakPolarHBondContact CG-ND2 3.45Å; E290-N294 VanDerWaalsContact O-CB 3.29Å; E290-N294 WeakPolarHBondContact O-CB 3.3Å; E290-N294 PolarHBondContact O-N 3.26Å; E290-N294 PolarHBondContact O-ND2 3.43Å
291L89.9Confident87.1Confident1 Ų166.2 Ų66.21%0.00536%0.364CS..Hα-helixtrans-59.7-47.3175-72.7-177.9000111.5I196 V275 F287 L288 K293 N294 Y295 I339 V340I196-L291 HydrophobicContact CG2-CB 4.34Å; V275-L291 HydrophobicContact CG1-CD1 4.3Å; V275-L291 HydrophobicContact CG2-CD1 3.99Å; F287-L291 HydrophobicContact CD1-CD1 4.35Å; F287-L291 HydrophobicContact CD2-CG 4.45Å; F287-L291 HydrophobicContact CE1-CD1 3.63Å; F287-L291 HydrophobicContact CE1-CG 4.23Å; F287-L291 HydrophobicContact CE2-CD1 4.19Å; F287-L291 HydrophobicContact CE2-CD2 4.08Å; F287-L291 HydrophobicContact CE2-CG 3.94Å; F287-L291 HydrophobicContact CZ-CD1 3.54Å; F287-L291 HydrophobicContact CZ-CD2 4.08Å; F287-L291 HydrophobicContact CZ-CG 3.83Å; F287-L291 PolarHBondContact O-N 3.16Å; L288-L291 PolarHBondContact O-N 3.35Å; L291-K293 PolarHBondContact O-N 3.5Å; L291-N294 PolarHBondContact O-N 3.1Å; L291-Y295 HydrophobicContact CD2-CD2 4.01Å; L291-Y295 HydrophobicContact CD2-CE2 3.91Å; L291-Y295 WeakPolarHBondContact O-CB 3.42Å; L291-Y295 WeakPolarHBondContact O-CD2 3.31Å; L291-Y295 PolarHBondContact O-N 3.04Å; L291-I339 HydrophobicContact CD2-CG2 4.4Å; L291-V340 HydrophobicContact CD1-CG2 4.26Å; L291-V340 HydrophobicContact CD2-CG2 4.23Å
292E90.9Very high87.5Confident76 Ų7663.9 Ų63.936%0.35535%0.351SS..Hα-helixtrans-58-50.5177.5176.4167.2-141.200111.1I196 Y197 L288 N294 C296I196-E292 HydrophobicContact CG2-CB 4.19Å; Y197-E292 HydrophobicContact CE1-CG 4.46Å; Y197-E292 PolarHBondContact OH-OE1 2.75Å; L288-E292 WeakPolarHBondContact O-CB 3.48Å; L288-E292 PolarHBondContact O-N 3.35Å; E292-N294 VanDerWaalsContact C-N 3.33Å; E292-N294 PolarHBondContact O-N 3.42Å; E292-C296 WeakPolarHBondContact O-CB 3.47Å; E292-C296 PolarHBondContact O-N 3.42Å; E292-C296 PolarHBondContact O-SG 3.44Å; E292-C296 VanDerWaalsContact O-SG 3.39Å
293K91.1Very high88Confident164 Ų16459.5 Ų59.571%0.71332%0.321SS*.Hα-helixtrans-61.8-40-179.1-175.8179.8176.7-175.60112.8L289 E290 L291 P297L289-K293 VanDerWaalsContact O-CB 3.26Å; L289-K293 WeakPolarHBondContact O-CB 3.5Å; L289-K293 PolarHBondContact O-N 3.18Å; E290-K293 PolarHBondContact O-N 2.93Å; L291-K293 PolarHBondContact O-N 3.5Å; K293-P297 WeakPolarHBondContact O-CD 3.43Å
294N90.6Very high88.3Confident68 Ų6858.2 Ų58.236%0.36431%0.31SS..Hα-helixtrans-83.9-33.4-173-69-16.1000113E290 L291 E292E290-N294 WeakPolarHBondContact CG-ND2 3.45Å; E290-N294 VanDerWaalsContact O-CB 3.29Å; E290-N294 WeakPolarHBondContact O-CB 3.3Å; E290-N294 PolarHBondContact O-N 3.26Å; E290-N294 PolarHBondContact O-ND2 3.43Å; L291-N294 PolarHBondContact O-N 3.1Å; E292-N294 VanDerWaalsContact C-N 3.33Å; E292-N294 PolarHBondContact O-N 3.42Å
295Y92.9Very high88.2Confident8 Ų859.4 Ų59.43%0.03132%0.32CS..Hα-helixtrans-112.4-25.1-169.1-65.7-78.5000114.9L291 R298 F299 D335 I336 I339L291-Y295 HydrophobicContact CD2-CD2 4.01Å; L291-Y295 HydrophobicContact CD2-CE2 3.91Å; L291-Y295 WeakPolarHBondContact O-CB 3.42Å; L291-Y295 WeakPolarHBondContact O-CD2 3.31Å; L291-Y295 PolarHBondContact O-N 3.04Å; Y295-R298 PolarHBondContact O-N 3.4Å; Y295-F299 WeakPolarHBondContact O-CD2 3.3Å; Y295-F299 PolarHBondContact O-N 2.86Å; Y295-D335 HydrophobicContact CE1-CB 4.09Å; Y295-D335 VanDerWaalsContact OH-C 3.3Å; Y295-D335 PolarHBondContact OH-O 3.04Å; Y295-D335 VanDerWaalsContact OH-O 3.11Å; Y295-I336 HydrophobicContact CD1-CD1 3.86Å; Y295-I336 HydrophobicContact CD1-CG1 3.37Å; Y295-I336 HydrophobicContact CD2-CG1 3.96Å; Y295-I336 HydrophobicContact CE1-CB 4.4Å; Y295-I336 HydrophobicContact CE1-CD1 4.29Å; Y295-I336 HydrophobicContact CE1-CG1 3.33Å; Y295-I336 HydrophobicContact CE2-CG1 3.94Å; Y295-I336 HydrophobicContact CG-CD1 4.01Å; Y295-I336 HydrophobicContact CG-CG1 3.68Å; Y295-I339 HydrophobicContact CE2-CD1 4Å; Y295-I339 WeakPolarHBondContact OH-CD1 3.41Å; Y295-I339 WeakPolarHBondContact OH-CG1 3.29Å
296C91.2Very high88Confident33 Ų3358.4 Ų58.422%0.22331%0.307CS..Hα-helixtrans-55.5-47174.1-73.30000112.3E292 R298 F299 V300E292-C296 WeakPolarHBondContact O-CB 3.47Å; E292-C296 PolarHBondContact O-N 3.42Å; E292-C296 PolarHBondContact O-SG 3.44Å; E292-C296 VanDerWaalsContact O-SG 3.39Å; C296-R298 VanDerWaalsContact C-N 3.27Å; C296-R298 PolarHBondContact O-N 3.03Å; C296-F299 PolarHBondContact O-N 3.41Å; C296-V300 WeakPolarHBondContact O-CG2 3.39Å; C296-V300 PolarHBondContact O-N 3.14Å
297P90.9Very high87.6Confident80 Ų8058.6 Ų58.652%0.51930%0.299SS..Hα-helixtrans-58.9-35.6175.2-24.834.7000113.6K293 V300 E301K293-P297 WeakPolarHBondContact O-CD 3.43Å; P297-V300 PolarHBondContact O-N 2.99Å; P297-E301 WeakPolarHBondContact O-CB 3.45Å; P297-E301 PolarHBondContact O-N 2.7Å
298R90.1Very high86.9Confident80 Ų8065.5 Ų65.530%0.30233%0.329SS..Hα-helixtrans-71.5-37.8179.7-64.3-178.865.3-180-0.9112.2Y295 C296 E301 L302 L332 D335Y295-R298 PolarHBondContact O-N 3.4Å; C296-R298 VanDerWaalsContact C-N 3.27Å; C296-R298 PolarHBondContact O-N 3.03Å; R298-E301 PolarHBondContact O-N 3.06Å; R298-L302 WeakPolarHBondContact O-CG 3.45Å; R298-L302 PolarHBondContact O-N 2.72Å; R298-L332 HydrophobicContact CB-CD1 3.65Å; R298-D335 IonicContact CZ-OD2 2.76Å; R298-D335 VanDerWaalsContact CZ-OD2 3.24Å; R298-D335 IonicContact NH1-OD2 2.63Å; R298-D335 PolarHBondContact NH1-OD2 3.48Å; R298-D335 IonicContact NH2-OD2 2.7Å; R298-D335 PolarHBondContact NH2-OD2 2.89Å
299F89.6Confident85.7Confident6 Ų667.2 Ų67.23%0.02634%0.338CS..Hα-helixtrans-66-41.3171.6-85.9-79.1000111.5L188 L191 L195 I196 Y295 C296 E301 L302 L303 L332 I336L188-F299 HydrophobicContact CD2-CE1 4.42Å; L191-F299 HydrophobicContact CD2-CE1 4.26Å; L191-F299 HydrophobicContact CG-CE1 4.38Å; L195-F299 HydrophobicContact CD1-CZ 4.39Å; I196-F299 HydrophobicContact CD1-CD2 3.77Å; I196-F299 HydrophobicContact CD1-CE2 3.89Å; I196-F299 HydrophobicContact CG1-CE2 4.22Å; Y295-F299 WeakPolarHBondContact O-CD2 3.3Å; Y295-F299 PolarHBondContact O-N 2.86Å; C296-F299 PolarHBondContact O-N 3.41Å; F299-E301 VanDerWaalsContact C-N 3.33Å; F299-E301 PolarHBondContact O-N 2.98Å; F299-L302 PolarHBondContact O-N 3.04Å; F299-L303 VanDerWaalsContact O-CG 3.29Å; F299-L303 WeakPolarHBondContact O-CG 3.44Å; F299-L303 PolarHBondContact O-N 3.21Å; F299-L332 HydrophobicContact CD2-CD2 4.2Å; F299-L332 HydrophobicContact CE1-CD2 3.92Å; F299-L332 HydrophobicContact CE2-CD2 3.52Å; F299-L332 HydrophobicContact CZ-CD2 3.36Å; F299-I336 HydrophobicContact CE2-CD1 3.83Å; F299-I336 HydrophobicContact CZ-CD1 4.27Å
300V89.4Confident84.4Confident83 Ų8363 Ų6350%0.50332%0.318SS..Hα-helixtrans-61.8-41.6173.9174.30000110.9C296 P297 L302 L303 T304C296-V300 WeakPolarHBondContact O-CG2 3.39Å; C296-V300 PolarHBondContact O-N 3.14Å; P297-V300 PolarHBondContact O-N 2.99Å; V300-L302 PolarHBondContact O-N 3.19Å; V300-L303 PolarHBondContact O-N 3.49Å; V300-T304 HydrophobicContact CG1-CG2 4.26Å; V300-T304 VanDerWaalsContact O-CG2 3.32Å; V300-T304 WeakPolarHBondContact O-CG2 3.38Å; V300-T304 PolarHBondContact O-N 2.88Å; V300-T304 PolarHBondContact O-OG1 3.45Å
301E87.4Confident82.9Confident121 Ų12164.7 Ų64.757%0.56533%0.33SS*.Hα-helixtrans-59.1-46.9174-172.1-176.8179.300111.4P297 R298 F299 L303 T304 C305P297-E301 WeakPolarHBondContact O-CB 3.45Å; P297-E301 PolarHBondContact O-N 2.7Å; R298-E301 PolarHBondContact O-N 3.06Å; F299-E301 VanDerWaalsContact C-N 3.33Å; F299-E301 PolarHBondContact O-N 2.98Å; E301-L303 VanDerWaalsContact C-N 3.35Å; E301-L303 PolarHBondContact O-N 2.88Å; E301-T304 WeakPolarHBondContact CA-OG1 3.45Å; E301-T304 PolarHBondContact O-N 2.74Å; E301-T304 PolarHBondContact O-OG1 3.38Å; E301-C305 WeakPolarHBondContact O-CB 2.93Å; E301-C305 PolarHBondContact O-N 3.27Å; E301-C305 PolarHBondContact O-SG 3.21Å; E301-C305 VanDerWaalsContact O-SG 3.38Å
302L85.3Confident81Confident27 Ų2766.1 Ų66.114%0.14135%0.345CS..Hα-helixtrans-60.3-43175.8-72.4-180000112.5L188 R298 F299 V300 C305 L306 K328 L332L188-L302 HydrophobicContact CD1-CB 4.37Å; R298-L302 WeakPolarHBondContact O-CG 3.45Å; R298-L302 PolarHBondContact O-N 2.72Å; F299-L302 PolarHBondContact O-N 3.04Å; V300-L302 PolarHBondContact O-N 3.19Å; L302-C305 PolarHBondContact O-N 2.83Å; L302-L306 WeakPolarHBondContact O-CG 3.36Å; L302-L306 PolarHBondContact O-N 2.93Å; L302-K328 HydrophobicContact CD2-CB 4.01Å; L302-K328 HydrophobicContact CD2-CD 4.31Å; L302-L332 HydrophobicContact CD1-CD1 3.79Å
303L86.1Confident78.8Confident26 Ų2669.1 Ų69.114%0.13636%0.363CS..Hα-helixtrans-61.8-47.7176.6-72165.9000111.5Q185 L188 F299 V300 E301 C305 L306 E307Q185-L303 HydrophobicContact CB-CD2 3.98Å; Q185-L303 HydrophobicContact CG-CD2 3.83Å; L188-L303 HydrophobicContact CB-CD2 3.96Å; L188-L303 HydrophobicContact CD1-CD2 3.89Å; L188-L303 HydrophobicContact CD1-CG 4.28Å; F299-L303 VanDerWaalsContact O-CG 3.29Å; F299-L303 WeakPolarHBondContact O-CG 3.44Å; F299-L303 PolarHBondContact O-N 3.21Å; V300-L303 PolarHBondContact O-N 3.49Å; E301-L303 VanDerWaalsContact C-N 3.35Å; E301-L303 PolarHBondContact O-N 2.88Å; L303-C305 VanDerWaalsContact C-N 3.35Å; L303-C305 PolarHBondContact O-N 2.94Å; L303-L306 WeakPolarHBondContact O-CB 3.35Å; L303-L306 PolarHBondContact O-N 3.38Å; L303-E307 PolarHBondContact O-N 3.44Å; L303-E307 VanDerWaalsContact O-N 3.14Å
304T85.1Confident76.6Confident47 Ų4770.4 Ų70.429%0.28837%0.371SS..Hα-helixtrans-67.7-32.3178.160.30000112.9V300 E301 E307 K308V300-T304 HydrophobicContact CG1-CG2 4.26Å; V300-T304 VanDerWaalsContact O-CG2 3.32Å; V300-T304 WeakPolarHBondContact O-CG2 3.38Å; V300-T304 PolarHBondContact O-N 2.88Å; V300-T304 PolarHBondContact O-OG1 3.45Å; E301-T304 WeakPolarHBondContact CA-OG1 3.45Å; E301-T304 PolarHBondContact O-N 2.74Å; E301-T304 PolarHBondContact O-OG1 3.38Å; T304-E307 PolarHBondContact O-N 2.82Å; T304-K308 WeakPolarHBondContact O-CG 3.35Å; T304-K308 PolarHBondContact O-N 2.88Å
305C80.8Confident74.5Confident42 Ų4268.9 Ų68.928%0.28436%0.36SS..Hα-helixtrans-65-39.2171.7-79.60000111.8E301 L302 L303 E307 N309E301-C305 WeakPolarHBondContact O-CB 2.93Å; E301-C305 PolarHBondContact O-N 3.27Å; E301-C305 PolarHBondContact O-SG 3.21Å; E301-C305 VanDerWaalsContact O-SG 3.38Å; L302-C305 PolarHBondContact O-N 2.83Å; L303-C305 VanDerWaalsContact C-N 3.35Å; L303-C305 PolarHBondContact O-N 2.94Å; C305-E307 VanDerWaalsContact C-N 3.33Å; C305-N309 VanDerWaalsContact O-CB 3.23Å; C305-N309 WeakPolarHBondContact O-CB 3.35Å; C305-N309 PolarHBondContact O-N 3.16Å; C305-N309 PolarHBondContact O-ND2 2.86Å; C305-N309 VanDerWaalsContact O-ND2 3.11Å
306L78.4Confident72Confident32 Ų3276.3 Ų76.317%0.16840%0.399CS..Hα-helixtrans-63.9-39.4175.8-73.4168.1000111.7S181 M184 L188 L302 L303 S310S181-L306 PolarHBondContact OG-O 3.31Å; M184-L306 HydrophobicContact CB-CD1 3.96Å; L188-L306 HydrophobicContact CD1-CD1 3.45Å; L188-L306 VanDerWaalsContact CD1-CD1 3.45Å; L302-L306 WeakPolarHBondContact O-CG 3.36Å; L302-L306 PolarHBondContact O-N 2.93Å; L303-L306 WeakPolarHBondContact O-CB 3.35Å; L303-L306 PolarHBondContact O-N 3.38Å; L306-S310 PolarHBondContact O-N 2.9Å
307E76.3Confident69.6Low89 Ų8978.4 Ų78.442%0.41643%0.426SS..Hα-helixtrans-67.4-48.8175.4-68.8173.8169.600112.3Q185 L303 T304 C305 N309 S310Q185-E307 VanDerWaalsContact NE2-CG 3.28Å; Q185-E307 PolarHBondContact NE2-OE1 2.67Å; L303-E307 PolarHBondContact O-N 3.44Å; L303-E307 VanDerWaalsContact O-N 3.14Å; T304-E307 PolarHBondContact O-N 2.82Å; C305-E307 VanDerWaalsContact C-N 3.33Å; E307-N309 VanDerWaalsContact C-N 3.28Å; E307-N309 PolarHBondContact O-N 3.47Å; E307-S310 PolarHBondContact O-N 3.31Å; E307-S310 VanDerWaalsContact O-N 3.09Å; E307-S310 PolarHBondContact O-OG 3.49Å
308K72.3Confident67.6Low149 Ų14979.8 Ų79.865%0.64842%0.424SS*.Hα-helixtrans-63.8-34.6179.1-72.2176.1-177.8174.50112.7T304 S310 D311 G312T304-K308 WeakPolarHBondContact O-CG 3.35Å; T304-K308 PolarHBondContact O-N 2.88Å; K308-S310 VanDerWaalsContact C-N 3.26Å; K308-S310 PolarHBondContact O-N 2.9Å; K308-D311 PolarHBondContact O-N 3.25Å; K308-G312 PolarHBondContact O-N 3.3Å
309N63.7Low65.8Low73 Ų7380.5 Ų80.539%0.3944%0.437SS..Hα-helixtrans-69.4-24.7177.5-73.2-21.1000112.4C305 E307 D311C305-N309 VanDerWaalsContact O-CB 3.23Å; C305-N309 WeakPolarHBondContact O-CB 3.35Å; C305-N309 PolarHBondContact O-N 3.16Å; C305-N309 PolarHBondContact O-ND2 2.86Å; C305-N309 VanDerWaalsContact O-ND2 3.11Å; E307-N309 VanDerWaalsContact C-N 3.28Å; E307-N309 PolarHBondContact O-N 3.47Å; N309-D311 VanDerWaalsContact C-N 3.28Å
310S61.3Low64Low20 Ų2082 Ų8214%0.1444%0.444CS..Hα-helixtrans-71.7-22172.250.40000113.6L306 E307 K308L306-S310 PolarHBondContact O-N 2.9Å; E307-S310 PolarHBondContact O-N 3.31Å; E307-S310 VanDerWaalsContact O-N 3.09Å; E307-S310 PolarHBondContact O-OG 3.49Å; K308-S310 VanDerWaalsContact C-N 3.26Å; K308-S310 PolarHBondContact O-N 2.9Å
311D56.9Low62.2Low134 Ų13482.1 Ų82.172%0.71745%0.449SS*.Hα-helixtrans-92.3-12.9-178.6-63.8-21.8000113.5K308 N309K308-D311 PolarHBondContact O-N 3.25Å; N309-D311 VanDerWaalsContact C-N 3.28Å
312G51.2Low60.8Low30 Ų3079.3 Ų79.331%0.30944%0.437SS..  trans-107.7125.4-162.400000116.9K308 Q314K308-G312 PolarHBondContact O-N 3.3Å; G312-Q314 PolarHBondContact O-N 3.45Å
313L44.3Very low59.6Low140 Ų14079.2 Ų79.273%0.73344%0.437SS*.  trans-61.89.5178-123.3105.2000117.1F174 W315F174-L313 HydrophobicContact CZ-CG 4.39Å; L313-W315 VanDerWaalsContact C-N 3.34Å; L313-W315 PolarHBondContact O-N 3.25Å
314Q44.6Very low58.8Low190 Ų19078.6 Ų78.689%0.88843%0.433SS*.  trans-86.118.1-166.9-96.5-179.28.600116.3G312G312-Q314 PolarHBondContact O-N 3.45Å
315W46.4Very low58.3Low36 Ų3679.1 Ų79.114%0.13644%0.435CS..  trans-116.926.1-164.8-99.481.8000117.5R173 L313 G317 K318 N322 L323R173-W315 VanDerWaalsContact NH2-CE3 3.29Å; L313-W315 VanDerWaalsContact C-N 3.34Å; L313-W315 PolarHBondContact O-N 3.25Å; W315-G317 PolarHBondContact O-N 2.91Å; W315-K318 HydrophobicContact CD2-CB 4.45Å; W315-K318 HydrophobicContact CD2-CD 4.44Å; W315-K318 HydrophobicContact CE3-CB 3.48Å; W315-K318 VanDerWaalsContact CE3-CB 3.48Å; W315-K318 HydrophobicContact CE3-CD 4.15Å; W315-K318 HydrophobicContact CE3-CG 4.36Å; W315-K318 HydrophobicContact CH2-CB 3.74Å; W315-K318 HydrophobicContact CH2-CD 3.45Å; W315-K318 VanDerWaalsContact CH2-CD 3.45Å; W315-K318 HydrophobicContact CH2-CG 4.25Å; W315-K318 HydrophobicContact CZ2-CD 3.79Å; W315-K318 HydrophobicContact CZ3-CB 3.09Å; W315-K318 HydrophobicContact CZ3-CD 3.71Å; W315-K318 HydrophobicContact CZ3-CG 4.02Å; W315-N322 VanDerWaalsContact CH2-C 3.46Å; W315-N322 HydrophobicContact CH2-CB 3.42Å; W315-N322 VanDerWaalsContact CH2-CB 3.42Å; W315-N322 WeakPolarHBondContact CH2-O 3.47Å; W315-N322 HydrophobicContact CZ3-CB 3.79Å; W315-L323 HydrophobicContact CZ3-CD2 4.39Å
316I39.7Very low58.3Low164 Ų16479.2 Ų79.284%0.84143%0.43SS*.THydrogen-bonded Turntrans-62.4-10.6-172.5-65.6172.7000114.9
317G42.7Very low58.5Low77 Ų7784 Ų8479%0.79446%0.456SS*.THydrogen-bonded Turntrans-125-3.2-169.500000119.7W315W315-G317 PolarHBondContact O-N 2.91Å
318K48.1Very low59Low110 Ų11084.4 Ų84.448%0.47846%0.457SS..  trans-110.3149-169-73.7176.2-178.6-179.40112.3R173 W315 N322R173-K318 VanDerWaalsContact CZ-O 3.28Å; R173-K318 PolarHBondContact NH1-O 2.89Å; R173-K318 PolarHBondContact NH2-O 3.24Å; W315-K318 HydrophobicContact CD2-CB 4.45Å; W315-K318 HydrophobicContact CD2-CD 4.44Å; W315-K318 HydrophobicContact CE3-CB 3.48Å; W315-K318 VanDerWaalsContact CE3-CB 3.48Å; W315-K318 HydrophobicContact CE3-CD 4.15Å; W315-K318 HydrophobicContact CE3-CG 4.36Å; W315-K318 HydrophobicContact CH2-CB 3.74Å; W315-K318 HydrophobicContact CH2-CD 3.45Å; W315-K318 VanDerWaalsContact CH2-CD 3.45Å; W315-K318 HydrophobicContact CH2-CG 4.25Å; W315-K318 HydrophobicContact CZ2-CD 3.79Å; W315-K318 HydrophobicContact CZ3-CB 3.09Å; W315-K318 HydrophobicContact CZ3-CD 3.71Å; W315-K318 HydrophobicContact CZ3-CG 4.02Å; K318-N322 HydrophobicContact CB-CB 4.25Å; K318-N322 HydrophobicContact CD-CB 4.49Å
319T52Low59.7Low94 Ų9477.9 Ų77.958%0.57743%0.428SS*.  trans-67159177.214.60000112.7S321 N322T319-S321 WeakPolarHBondContact CB-OG 3.13Å; T319-S321 PolarHBondContact O-N 3.23Å; T319-S321 PolarHBondContact OG1-OG 2.66Å; T319-N322 PolarHBondContact O-N 3.39Å
320F50.8Low60.9Low37 Ų3775.2 Ų75.216%0.16242%0.416CS..G310 helixtrans-56.9-29.1175.5-82.2-82.8000113.2A165 P166 R173 N322 L323A165-F320 HydrophobicContact CB-CD1 3.68Å; A165-F320 HydrophobicContact CB-CE1 3.33Å; A165-F320 HydrophobicContact CB-CE2 4.26Å; A165-F320 HydrophobicContact CB-CG 4.33Å; A165-F320 HydrophobicContact CB-CZ 3.65Å; P166-F320 VanDerWaalsContact O-CE2 3.31Å; P166-F320 WeakPolarHBondContact O-CE2 3.25Å; P166-F320 WeakPolarHBondContact O-CZ 3.15Å; R173-F320 HydrophobicContact CB-CZ 4.41Å; R173-F320 HydrophobicContact CG-CE1 4.12Å; R173-F320 HydrophobicContact CG-CZ 4.14Å; F320-N322 PolarHBondContact O-N 3.41Å; F320-N322 VanDerWaalsContact O-N 3.15Å; F320-L323 HydrophobicContact CD1-CD1 3.54Å; F320-L323 HydrophobicContact CD1-CG 4.22Å; F320-L323 HydrophobicContact CE1-CD1 4.15Å; F320-L323 WeakPolarHBondContact O-CB 3.5Å; F320-L323 VanDerWaalsContact O-CG 3.23Å; F320-L323 WeakPolarHBondContact O-CG 3.35Å; F320-L323 PolarHBondContact O-N 2.97Å
321S51.9Low62.3Low87 Ų8777.2 Ų77.261%0.60843%0.429SS*.G310 helixtrans-56.7-27.3173.158.90000113.6T319T319-S321 WeakPolarHBondContact CB-OG 3.13Å; T319-S321 PolarHBondContact O-N 3.23Å; T319-S321 PolarHBondContact OG1-OG 2.66Å
322N58.2Low63.9Low62 Ų6271 Ų7133%0.33240%0.396SS..G310 helixtrans-90.6-2.3-177.4-57.6-6.8000112.1W315 K318 T319 F320 I324W315-N322 VanDerWaalsContact CH2-C 3.46Å; W315-N322 HydrophobicContact CH2-CB 3.42Å; W315-N322 VanDerWaalsContact CH2-CB 3.42Å; W315-N322 WeakPolarHBondContact CH2-O 3.47Å; W315-N322 HydrophobicContact CZ3-CB 3.79Å; K318-N322 HydrophobicContact CB-CB 4.25Å; K318-N322 HydrophobicContact CD-CB 4.49Å; T319-N322 PolarHBondContact O-N 3.39Å; F320-N322 PolarHBondContact O-N 3.41Å; F320-N322 VanDerWaalsContact O-N 3.15Å; N322-I324 PolarHBondContact O-N 2.93Å; N322-I324 VanDerWaalsContact O-N 3.16Å
323L61.5Low65.9Low25 Ų2569.6 Ų69.613%0.13138%0.382CS..SBendtrans-55.8-33.5178.5-72.5-170.8000112.5L162 Q177 W315 F320L162-L323 HydrophobicContact CD2-CD1 4.1Å; Q177-L323 HydrophobicContact CG-CD1 3.93Å; Q177-L323 HydrophobicContact CG-CD2 3.35Å; Q177-L323 HydrophobicContact CG-CG 4.22Å; W315-L323 HydrophobicContact CZ3-CD2 4.39Å; F320-L323 HydrophobicContact CD1-CD1 3.54Å; F320-L323 HydrophobicContact CD1-CG 4.22Å; F320-L323 HydrophobicContact CE1-CD1 4.15Å; F320-L323 WeakPolarHBondContact O-CB 3.5Å; F320-L323 VanDerWaalsContact O-CG 3.23Å; F320-L323 WeakPolarHBondContact O-CG 3.35Å; F320-L323 PolarHBondContact O-N 2.97Å
324I68.3Low68.1Low12 Ų1264.9 Ų64.96%0.06236%0.36CS..SBendtrans-108.4113.3174.6-55.4167.3000106.1L162 V180 M184 F259 N322 F326 I329L162-I324 HydrophobicContact CD1-CD1 4.26Å; V180-I324 HydrophobicContact CG1-CD1 3.91Å; V180-I324 HydrophobicContact CG1-CG1 3.94Å; M184-I324 HydrophobicContact CE-CD1 4.08Å; M184-I324 HydrophobicContact CG-CD1 4.11Å; M184-I324 HydrophobicContact CG-CG1 4.22Å; M184-I324 HydrophobicContact SD-CD1 3.77Å; M184-I324 HydrophobicContact SD-CG1 4.18Å; M184-I324 HydrophobicContact SD-CG2 4.07Å; F259-I324 HydrophobicContact CE1-CD1 4.25Å; F259-I324 HydrophobicContact CE2-CD1 4.15Å; F259-I324 HydrophobicContact CE2-CG2 4.43Å; F259-I324 HydrophobicContact CZ-CD1 3.93Å; N322-I324 PolarHBondContact O-N 2.93Å; N322-I324 VanDerWaalsContact O-N 3.16Å; I324-F326 PolarHBondContact O-N 3.32Å; I324-I329 HydrophobicContact CG2-CD1 3.93Å
325D73.8Confident70.3Confident59 Ų5958.6 Ų58.632%0.31633%0.332SS..  trans-70.274.9173.2-80.2-27.4000109.4N327 K328 I329D325-N327 PolarHBondContact O-N 3.36Å; D325-N327 VanDerWaalsContact O-N 3.08Å; D325-K328 HydrophobicContact CB-CB 4.23Å; D325-K328 HydrophobicContact CB-CD 3.83Å; D325-K328 HydrophobicContact CB-CG 4.01Å; D325-K328 PolarHBondContact O-N 3.44Å; D325-K328 VanDerWaalsContact OD2-CE 3.31Å; D325-K328 WeakPolarHBondContact OD2-CE 3.4Å; D325-K328 IonicContact OD2-NZ 2.95Å; D325-K328 PolarHBondContact OD2-NZ 3.45Å; D325-I329 PolarHBondContact O-N 3.1Å
326F81Confident72.5Confident44 Ų4456.9 Ų56.919%0.19333%0.326CS..Hα-helixtrans-52.5-34.9179.2172.3-104.2000111.8L260 P261 F264 I324 K328 I329 S330L260-F326 HydrophobicContact CD2-CD2 3.52Å; L260-F326 HydrophobicContact CD2-CE2 3.45Å; L260-F326 VanDerWaalsContact CD2-CE2 3.45Å; P261-F326 HydrophobicContact CG-CE1 4.35Å; P261-F326 HydrophobicContact CG-CZ 4.11Å; F264-F326 HydrophobicContact CB-CE2 4.27Å; F264-F326 HydrophobicContact CB-CZ 4.05Å; F264-F326 HydrophobicContact CD1-CE2 4.32Å; F264-F326 AromaticContact CD2-CE2 3.8Å; F264-F326 HydrophobicContact CD2-CE2 3.8Å; F264-F326 AromaticContact CD2-CZ 3.92Å; F264-F326 HydrophobicContact CD2-CZ 3.92Å; F264-F326 HydrophobicContact CE2-CE2 4.2Å; F264-F326 AromaticContact CG-CE2 3.87Å; F264-F326 HydrophobicContact CG-CE2 3.87Å; F264-F326 HydrophobicContact CG-CZ 4.05Å; I324-F326 PolarHBondContact O-N 3.32Å; F326-K328 VanDerWaalsContact C-N 3.28Å; F326-K328 PolarHBondContact O-N 2.93Å; F326-I329 PolarHBondContact O-N 3.32Å; F326-S330 WeakPolarHBondContact O-CB 3.41Å; F326-S330 PolarHBondContact O-N 3Å
327N84Confident74.9Confident133 Ų13349.7 Ų49.771%0.71129%0.289SS*.Hα-helixtrans-59.5-36.5177.7-67.3-16.6000112.9D325 S331D325-N327 PolarHBondContact O-N 3.36Å; D325-N327 VanDerWaalsContact O-N 3.08Å; N327-S331 WeakPolarHBondContact O-CB 3.39Å; N327-S331 PolarHBondContact O-N 3.44Å
328K85.7Confident77.2Confident97 Ų9749 Ų4942%0.42227%0.272SS..Hα-helixtrans-69.8-44.4177.5-71.8178.8179.7158.10111.1L302 D325 F326 S331 L332L302-K328 HydrophobicContact CD2-CB 4.01Å; L302-K328 HydrophobicContact CD2-CD 4.31Å; D325-K328 HydrophobicContact CB-CB 4.23Å; D325-K328 HydrophobicContact CB-CD 3.83Å; D325-K328 HydrophobicContact CB-CG 4.01Å; D325-K328 PolarHBondContact O-N 3.44Å; D325-K328 VanDerWaalsContact OD2-CE 3.31Å; D325-K328 WeakPolarHBondContact OD2-CE 3.4Å; D325-K328 IonicContact OD2-NZ 2.95Å; D325-K328 PolarHBondContact OD2-NZ 3.45Å; F326-K328 VanDerWaalsContact C-N 3.28Å; F326-K328 PolarHBondContact O-N 2.93Å; K328-S331 PolarHBondContact O-N 3.46Å; K328-L332 WeakPolarHBondContact O-CB 3.45Å; K328-L332 PolarHBondContact O-N 3.23Å
329I87.6Confident79.1Confident11 Ų1146.4 Ų46.46%0.05626%0.263CS..Hα-helixtrans-63.8-49.2177.1-59.1174.7000109.7L188 L191 F264 I324 D325 F326 S331 L332 V333L188-I329 HydrophobicContact CD2-CD1 4.18Å; L188-I329 HydrophobicContact CD2-CG1 4.34Å; L191-I329 HydrophobicContact CD2-CG2 4Å; F264-I329 HydrophobicContact CE2-CG2 4.24Å; F264-I329 HydrophobicContact CZ-CG2 3.89Å; I324-I329 HydrophobicContact CG2-CD1 3.93Å; D325-I329 PolarHBondContact O-N 3.1Å; F326-I329 PolarHBondContact O-N 3.32Å; I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 2.78Å; I329-L332 PolarHBondContact O-N 3.24Å; I329-V333 WeakPolarHBondContact O-CG2 3.42Å; I329-V333 PolarHBondContact O-N 2.99Å
330S89.3Confident80.9Confident18 Ų1842 Ų4213%0.12624%0.236CC..Hα-helixtrans-61.6-38.6178-177.30000112.3R267 F326 V333 C334R267-S330 PolarHBondContact NH1-OG 2.89Å; F326-S330 WeakPolarHBondContact O-CB 3.41Å; F326-S330 PolarHBondContact O-N 3Å; S330-V333 PolarHBondContact O-N 3.19Å; S330-C334 WeakPolarHBondContact O-CB 3.43Å; S330-C334 PolarHBondContact O-N 2.89Å; S330-C334 PolarHBondContact O-SG 3.29Å
331S90Very high82.7Confident61 Ų6141.2 Ų41.243%0.42724%0.235SC..Hα-helixtrans-63.5-45.4176.1-173.90000111N327 K328 I329 V333 C334 D335N327-S331 WeakPolarHBondContact O-CB 3.39Å; N327-S331 PolarHBondContact O-N 3.44Å; K328-S331 PolarHBondContact O-N 3.46Å; I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 2.78Å; S331-V333 PolarHBondContact O-N 2.9Å; S331-C334 WeakPolarHBondContact O-CB 3.35Å; S331-C334 PolarHBondContact O-N 2.94Å; S331-D335 VanDerWaalsContact O-CG 3.28Å; S331-D335 PolarHBondContact O-N 2.94Å
332L90.7Very high84.4Confident4 Ų442.2 Ų42.22%0.02123%0.226CC..Hα-helixtrans-61.8-43176.9-177.4143.7000112.2R298 F299 L302 K328 I329 D335 I336R298-L332 HydrophobicContact CB-CD1 3.65Å; F299-L332 HydrophobicContact CD2-CD2 4.2Å; F299-L332 HydrophobicContact CE1-CD2 3.92Å; F299-L332 HydrophobicContact CE2-CD2 3.52Å; F299-L332 HydrophobicContact CZ-CD2 3.36Å; L302-L332 HydrophobicContact CD1-CD1 3.79Å; K328-L332 WeakPolarHBondContact O-CB 3.45Å; K328-L332 PolarHBondContact O-N 3.23Å; I329-L332 PolarHBondContact O-N 3.24Å; L332-D335 PolarHBondContact O-N 3.03Å; L332-I336 HydrophobicContact CD2-CD1 3.54Å; L332-I336 HydrophobicContact CD2-CG1 4.43Å; L332-I336 HydrophobicContact CG-CD1 4.35Å; L332-I336 WeakPolarHBondContact O-CG1 3.34Å; L332-I336 PolarHBondContact O-N 3.34Å
333V92.5Very high85.7Confident0 Ų041.3 Ų41.30%022%0.22CC..Hα-helixtrans-64.8-40.1175.6174.90000111.4L191 L195 F264 V268 I329 S330 S331 I336 Q337L191-V333 HydrophobicContact CD2-CG2 4.3Å; L195-V333 HydrophobicContact CD1-CG1 4.42Å; L195-V333 HydrophobicContact CD1-CG2 3.75Å; F264-V333 HydrophobicContact CE2-CB 3.91Å; F264-V333 HydrophobicContact CE2-CG1 4.18Å; F264-V333 HydrophobicContact CE2-CG2 3.64Å; F264-V333 HydrophobicContact CZ-CG2 3.81Å; V268-V333 HydrophobicContact CG2-CG1 3.9Å; V268-V333 HydrophobicContact CG2-CG2 4.39Å; I329-V333 WeakPolarHBondContact O-CG2 3.42Å; I329-V333 PolarHBondContact O-N 2.99Å; S330-V333 PolarHBondContact O-N 3.19Å; S331-V333 PolarHBondContact O-N 2.9Å; V333-I336 PolarHBondContact O-N 3.24Å; V333-Q337 VanDerWaalsContact O-CB 3.29Å; V333-Q337 WeakPolarHBondContact O-CB 3.3Å; V333-Q337 PolarHBondContact O-N 3.27Å
334C91.2Very high86.8Confident42 Ų4241.1 Ų41.128%0.28422%0.221SC..Hα-helixtrans-60.4-44.9173.7-73.50000111.8R267 S330 S331 I336 Q337 S338R267-C334 PolarHBondContact NH1-SG 2.81Å; S330-C334 WeakPolarHBondContact O-CB 3.43Å; S330-C334 PolarHBondContact O-N 2.89Å; S330-C334 PolarHBondContact O-SG 3.29Å; S331-C334 WeakPolarHBondContact O-CB 3.35Å; S331-C334 PolarHBondContact O-N 2.94Å; C334-I336 PolarHBondContact O-N 2.72Å; C334-Q337 PolarHBondContact O-N 2.88Å; C334-S338 PolarHBondContact O-N 3.02Å; C334-S338 PolarHBondContact O-OG 2.97Å; C334-S338 VanDerWaalsContact O-OG 3.06Å
335D91.7Very high87.7Confident57 Ų5741.6 Ų41.631%0.30522%0.222SC..Hα-helixtrans-60.6-47.2178.9-68.6-16.4000111.1Y295 R298 S331 L332 S338 I339Y295-D335 HydrophobicContact CE1-CB 4.09Å; Y295-D335 VanDerWaalsContact OH-C 3.3Å; Y295-D335 PolarHBondContact OH-O 3.04Å; Y295-D335 VanDerWaalsContact OH-O 3.11Å; R298-D335 IonicContact CZ-OD2 2.76Å; R298-D335 VanDerWaalsContact CZ-OD2 3.24Å; R298-D335 IonicContact NH1-OD2 2.63Å; R298-D335 PolarHBondContact NH1-OD2 3.48Å; R298-D335 IonicContact NH2-OD2 2.7Å; R298-D335 PolarHBondContact NH2-OD2 2.89Å; S331-D335 VanDerWaalsContact O-CG 3.28Å; S331-D335 PolarHBondContact O-N 2.94Å; L332-D335 PolarHBondContact O-N 3.03Å; D335-S338 PolarHBondContact O-N 2.95Å; D335-I339 PolarHBondContact O-N 3.43Å
336I91.6Very high88.2Confident0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-61.2-46.9176.6-64.6170.9000109.9L195 T271 Y295 F299 L332 V333 C334 S338 I339 V340L195-I336 HydrophobicContact CB-CD1 4.28Å; L195-I336 HydrophobicContact CD1-CD1 4.29Å; T271-I336 HydrophobicContact CG2-CG2 3.87Å; Y295-I336 HydrophobicContact CD1-CD1 3.86Å; Y295-I336 HydrophobicContact CD1-CG1 3.37Å; Y295-I336 HydrophobicContact CD2-CG1 3.96Å; Y295-I336 HydrophobicContact CE1-CB 4.4Å; Y295-I336 HydrophobicContact CE1-CD1 4.29Å; Y295-I336 HydrophobicContact CE1-CG1 3.33Å; Y295-I336 HydrophobicContact CE2-CG1 3.94Å; Y295-I336 HydrophobicContact CG-CD1 4.01Å; Y295-I336 HydrophobicContact CG-CG1 3.68Å; F299-I336 HydrophobicContact CE2-CD1 3.83Å; F299-I336 HydrophobicContact CZ-CD1 4.27Å; L332-I336 HydrophobicContact CD2-CD1 3.54Å; L332-I336 HydrophobicContact CD2-CG1 4.43Å; L332-I336 HydrophobicContact CG-CD1 4.35Å; L332-I336 WeakPolarHBondContact O-CG1 3.34Å; L332-I336 PolarHBondContact O-N 3.34Å; V333-I336 PolarHBondContact O-N 3.24Å; C334-I336 PolarHBondContact O-N 2.72Å; I336-S338 VanDerWaalsContact C-N 3.29Å; I336-S338 PolarHBondContact O-N 2.83Å; I336-I339 PolarHBondContact O-N 3.45Å; I336-V340 HydrophobicContact CG2-CG2 3.81Å; I336-V340 WeakPolarHBondContact O-CB 3.24Å; I336-V340 WeakPolarHBondContact O-CG2 3.31Å; I336-V340 PolarHBondContact O-N 2.84Å
337Q91.3Very high88.3Confident13 Ų1338.1 Ų38.16%0.06121%0.207CC..Hα-helixtrans-56.6-43.3179.4178.4167.745.300111.7T271 V333 C334 S341T271-Q337 HydrophobicContact CG2-CB 4.47Å; T271-Q337 WeakPolarHBondContact OG1-CB 3.45Å; T271-Q337 WeakPolarHBondContact OG1-CG 3.47Å; V333-Q337 VanDerWaalsContact O-CB 3.29Å; V333-Q337 WeakPolarHBondContact O-CB 3.3Å; V333-Q337 PolarHBondContact O-N 3.27Å; C334-Q337 PolarHBondContact O-N 2.88Å; Q337-S341 WeakPolarHBondContact O-CB 3.26Å; Q337-S341 PolarHBondContact O-N 3.42Å; Q337-S341 PolarHBondContact O-OG 3.09Å
338S89.2Confident88.3Confident63 Ų6332.4 Ų32.444%0.44118%0.176SC..Hα-helixtrans-61.8-45.5178.7-62.50000111.8C334 D335 I336 Y342C334-S338 PolarHBondContact O-N 3.02Å; C334-S338 PolarHBondContact O-OG 2.97Å; C334-S338 VanDerWaalsContact O-OG 3.06Å; D335-S338 PolarHBondContact O-N 2.95Å; I336-S338 VanDerWaalsContact C-N 3.29Å; I336-S338 PolarHBondContact O-N 2.83Å; S338-Y342 WeakPolarHBondContact O-CB 3.48Å; S338-Y342 PolarHBondContact O-N 2.87Å
339I89.5Confident88.2Confident56 Ų5629.2 Ų29.229%0.28716%0.164SC..Hα-helixtrans-66.7-47178.2-62.5-165.2000111.2F287 L291 Y295 D335 I336 S341 Y342 H343F287-I339 HydrophobicContact CE2-CG2 4.24Å; L291-I339 HydrophobicContact CD2-CG2 4.4Å; Y295-I339 HydrophobicContact CE2-CD1 4Å; Y295-I339 WeakPolarHBondContact OH-CD1 3.41Å; Y295-I339 WeakPolarHBondContact OH-CG1 3.29Å; D335-I339 PolarHBondContact O-N 3.43Å; I336-I339 PolarHBondContact O-N 3.45Å; I339-S341 VanDerWaalsContact C-N 3.32Å; I339-S341 PolarHBondContact O-N 3.18Å; I339-Y342 PolarHBondContact O-N 3.11Å; I339-H343 WeakPolarHBondContact O-CB 3.48Å; I339-H343 PolarHBondContact O-N 3.13Å
340V90.2Very high87.7Confident1 Ų135.1 Ų35.11%0.00619%0.189CC..Hα-helixtrans-61.6-42178.9174.30000111T271 A274 V275 F287 L291 I336 H343 S344T271-V340 HydrophobicContact CG2-CB 4.18Å; T271-V340 HydrophobicContact CG2-CG1 4.33Å; T271-V340 HydrophobicContact CG2-CG2 3.95Å; A274-V340 HydrophobicContact CB-CG1 3.56Å; V275-V340 HydrophobicContact CG2-CG1 3.98Å; V275-V340 HydrophobicContact CG2-CG2 3.72Å; F287-V340 HydrophobicContact CZ-CB 4.34Å; F287-V340 HydrophobicContact CZ-CG2 3.93Å; L291-V340 HydrophobicContact CD1-CG2 4.26Å; L291-V340 HydrophobicContact CD2-CG2 4.23Å; I336-V340 HydrophobicContact CG2-CG2 3.81Å; I336-V340 WeakPolarHBondContact O-CB 3.24Å; I336-V340 WeakPolarHBondContact O-CG2 3.31Å; I336-V340 PolarHBondContact O-N 2.84Å; V340-H343 PolarHBondContact O-N 2.81Å; V340-S344 VanDerWaalsContact O-CB 3.29Å; V340-S344 WeakPolarHBondContact O-CB 3.03Å; V340-S344 PolarHBondContact O-N 3.27Å; V340-S344 PolarHBondContact O-OG 2.87Å
341S87.3Confident86.9Confident21 Ų2139.4 Ų39.415%0.14721%0.207CC..Hα-helixtrans-66.4-39.4178.6-58.70000111.7Q337 I339 W345Q337-S341 WeakPolarHBondContact O-CB 3.26Å; Q337-S341 PolarHBondContact O-N 3.42Å; Q337-S341 PolarHBondContact O-OG 3.09Å; I339-S341 VanDerWaalsContact C-N 3.32Å; I339-S341 PolarHBondContact O-N 3.18Å; S341-W345 VanDerWaalsContact O-CB 3.29Å; S341-W345 WeakPolarHBondContact O-CB 3.47Å; S341-W345 PolarHBondContact O-N 2.95Å
342Y87.9Confident86.1Confident108 Ų10839.6 Ų39.642%0.42420%0.201SC..Hα-helixtrans-65.7-45.2175.4179.1-98.9000112.1S338 I339 W345 C346 Q573S338-Y342 WeakPolarHBondContact O-CB 3.48Å; S338-Y342 PolarHBondContact O-N 2.87Å; I339-Y342 PolarHBondContact O-N 3.11Å; Y342-W345 HydrophobicContact CD2-CE3 4.17Å; Y342-W345 AromaticContact CE2-CE3 3.98Å; Y342-W345 HydrophobicContact CE2-CE3 3.98Å; Y342-W345 AromaticContact CE2-CZ3 3.88Å; Y342-W345 HydrophobicContact CE2-CZ3 3.88Å; Y342-W345 WeakPolarHBondContact O-CB 3.36Å; Y342-W345 PolarHBondContact O-N 3.46Å; Y342-C346 VanDerWaalsContact CE1-SG 3.59Å; Y342-C346 PolarHBondContact O-N 3.5Å; Y342-C346 PolarHBondContact O-SG 2.87Å; Y342-C346 VanDerWaalsContact O-SG 3.32Å; Y342-Q573 HydrophobicContact CD2-CB 3.95Å; Y342-Q573 HydrophobicContact CE2-CB 4.13Å; Y342-Q573 HydrophobicContact CE2-CG 4.32Å
343H86.5Confident85.8Confident42 Ų4244.9 Ų44.919%0.19422%0.224CC..Hα-helixtrans-60.5-51.9176.1-177.5-89.1000110.8E284 F287 I339 V340 W345 C346 S347E284-H343 IonicContact OE1-CE1 3.24Å; E284-H343 PolarHBondContact OE1-CE1 2.9Å; E284-H343 IonicContact OE2-CE1 2.73Å; F287-H343 WeakPolarHBondContact CB-NE2 3.37Å; F287-H343 AromaticContact CD1-CE1 3.91Å; F287-H343 AromaticContact CD1-ND1 3.8Å; F287-H343 HydrophobicContact CD2-CB 3.85Å; F287-H343 AromaticContact CD2-CD2 3.33Å; F287-H343 WeakPolarHBondContact CD2-CD2 3.45Å; F287-H343 AromaticContact CD2-CG 3.41Å; F287-H343 VanDerWaalsContact CD2-CG 3.41Å; F287-H343 AromaticContact CD2-ND1 3.95Å; F287-H343 AromaticContact CD2-NE2 3.86Å; F287-H343 HydrophobicContact CE2-CB 3.49Å; F287-H343 VanDerWaalsContact CE2-CB 3.49Å; F287-H343 AromaticContact CE2-CD2 3.94Å; F287-H343 AromaticContact CE2-CG 3.56Å; F287-H343 AromaticContact CG-CD2 3.58Å; F287-H343 AromaticContact CG-CE1 3.68Å; F287-H343 AromaticContact CG-CG 3.69Å; F287-H343 AromaticContact CG-ND1 3.75Å; F287-H343 AromaticContact CG-NE2 3.59Å; F287-H343 HydrophobicContact CZ-CB 3.9Å; F287-H343 AromaticContact CZ-CG 3.97Å; I339-H343 WeakPolarHBondContact O-CB 3.48Å; I339-H343 PolarHBondContact O-N 3.13Å; V340-H343 PolarHBondContact O-N 2.81Å; H343-W345 PolarHBondContact O-N 3.02Å; H343-C346 WeakPolarHBondContact O-CA 3.43Å; H343-C346 WeakPolarHBondContact O-CB 3.39Å; H343-C346 PolarHBondContact O-N 3.26Å; H343-S347 PolarHBondContact CE1-OG 2.96Å; H343-S347 PolarHBondContact O-N 3.19Å; H343-S347 PolarHBondContact O-OG 3.31Å
344S84.7Confident85.5Confident22 Ų2245 Ų4515%0.15422%0.224CC..Hα-helixtrans-58.1-38.4178.4-54.60000111.4V340 L348V340-S344 VanDerWaalsContact O-CB 3.29Å; V340-S344 WeakPolarHBondContact O-CB 3.03Å; V340-S344 PolarHBondContact O-N 3.27Å; V340-S344 PolarHBondContact O-OG 2.87Å; S344-L348 VanDerWaalsContact O-CB 3.22Å; S344-L348 WeakPolarHBondContact O-CB 3.42Å; S344-L348 PolarHBondContact O-N 3.12Å
345W85.2Confident85.4Confident22 Ų2245 Ų458%0.08322%0.222CC..Hα-helixtrans-62.9-45.2172.9171.382.2000112.1S341 Y342 H343 L348 L349 L569 D572 Q573 I575S341-W345 VanDerWaalsContact O-CB 3.29Å; S341-W345 WeakPolarHBondContact O-CB 3.47Å; S341-W345 PolarHBondContact O-N 2.95Å; Y342-W345 HydrophobicContact CD2-CE3 4.17Å; Y342-W345 AromaticContact CE2-CE3 3.98Å; Y342-W345 HydrophobicContact CE2-CE3 3.98Å; Y342-W345 AromaticContact CE2-CZ3 3.88Å; Y342-W345 HydrophobicContact CE2-CZ3 3.88Å; Y342-W345 WeakPolarHBondContact O-CB 3.36Å; Y342-W345 PolarHBondContact O-N 3.46Å; H343-W345 PolarHBondContact O-N 3.02Å; W345-L348 PolarHBondContact O-N 3.32Å; W345-L349 HydrophobicContact CH2-CD2 4.08Å; W345-L349 HydrophobicContact CZ2-CD2 3.79Å; W345-L349 WeakPolarHBondContact O-CB 3.31Å; W345-L349 PolarHBondContact O-N 3.19Å; W345-L569 PolarHBondContact NE1-O 3.47Å; W345-D572 PolarHBondContact NE1-O 2.89Å; W345-Q573 HydrophobicContact CE3-CB 4.37Å; W345-Q573 HydrophobicContact CH2-CG 4.13Å; W345-Q573 HydrophobicContact CZ2-CG 4.41Å; W345-Q573 HydrophobicContact CZ3-CB 4.48Å; W345-Q573 HydrophobicContact CZ3-CG 4.22Å; W345-I575 HydrophobicContact CB-CG1 4.18Å
346C85.3Confident85.2Confident22 Ų2247.7 Ų47.715%0.14923%0.232CC..Hα-helixtrans-61.5-47.2177.1-72.40000112.2Y342 H343 L348 L349 K350Y342-C346 VanDerWaalsContact CE1-SG 3.59Å; Y342-C346 PolarHBondContact O-N 3.5Å; Y342-C346 PolarHBondContact O-SG 2.87Å; Y342-C346 VanDerWaalsContact O-SG 3.32Å; H343-C346 WeakPolarHBondContact O-CA 3.43Å; H343-C346 WeakPolarHBondContact O-CB 3.39Å; H343-C346 PolarHBondContact O-N 3.26Å; C346-L348 VanDerWaalsContact C-N 3.33Å; C346-L348 PolarHBondContact O-N 2.72Å; C346-L349 PolarHBondContact O-N 3.18Å; C346-K350 WeakPolarHBondContact O-CB 3.5Å; C346-K350 PolarHBondContact O-N 2.9Å
347S83.4Confident85.1Confident8 Ų848.1 Ų48.16%0.05623%0.234CC..Hα-helixtrans-58.1-47.5176-54.40000110.2E284 H343 L349 E351 H352E284-S347 PolarHBondContact OE1-OG 3.16Å; H343-S347 PolarHBondContact CE1-OG 2.96Å; H343-S347 PolarHBondContact O-N 3.19Å; H343-S347 PolarHBondContact O-OG 3.31Å; S347-L349 PolarHBondContact O-N 2.9Å; S347-E351 WeakPolarHBondContact O-CA 3.04Å; S347-E351 VanDerWaalsContact O-CB 3.26Å; S347-E351 WeakPolarHBondContact O-CB 3.42Å; S347-E351 PolarHBondContact O-N 3.4Å; S347-H352 PolarHBondContact O-CD2 3.46Å; S347-H352 PolarHBondContact O-N 2.95Å
348L83.8Confident85.1Confident12 Ų1247.6 Ų47.66%0.06323%0.231CC..Hα-helixtrans-62.4-41.4-179.8-16064.1000113.3S344 W345 C346 H352 L354 V478 F479 L482S344-L348 VanDerWaalsContact O-CB 3.22Å; S344-L348 WeakPolarHBondContact O-CB 3.42Å; S344-L348 PolarHBondContact O-N 3.12Å; W345-L348 PolarHBondContact O-N 3.32Å; C346-L348 VanDerWaalsContact C-N 3.33Å; C346-L348 PolarHBondContact O-N 2.72Å; L348-H352 HydrophobicContact CD1-CB 4.43Å; L348-L354 HydrophobicContact CD2-CD2 3.93Å; L348-L354 HydrophobicContact CG-CB 4.27Å; L348-L354 HydrophobicContact CG-CD2 4.05Å; L348-L354 VanDerWaalsContact O-CB 3.3Å; L348-L354 WeakPolarHBondContact O-CB 3.15Å; L348-L354 PolarHBondContact O-N 3.24Å; L348-V478 HydrophobicContact CD1-CG1 3.57Å; L348-F479 HydrophobicContact CD1-CD1 3.56Å; L348-F479 HydrophobicContact CD1-CE1 3.46Å; L348-F479 VanDerWaalsContact CD1-CE1 3.46Å; L348-F479 HydrophobicContact CG-CD1 4.31Å; L348-F479 HydrophobicContact CG-CE1 4.03Å; L348-L482 HydrophobicContact CD2-CD1 3.46Å; L348-L482 VanDerWaalsContact CD2-CD1 3.46Å; L348-L482 HydrophobicContact CD2-CG 4.06Å; L348-L482 HydrophobicContact CG-CD1 4.47Å
349L82.5Confident85.2Confident31 Ų3146.5 Ų46.516%0.16222%0.224CC..Hα-helixtrans-73.4-46.2-178-163.376.7000112.1W345 C346 S347 K353 I355W345-L349 HydrophobicContact CH2-CD2 4.08Å; W345-L349 HydrophobicContact CZ2-CD2 3.79Å; W345-L349 WeakPolarHBondContact O-CB 3.31Å; W345-L349 PolarHBondContact O-N 3.19Å; C346-L349 PolarHBondContact O-N 3.18Å; S347-L349 PolarHBondContact O-N 2.9Å; L349-K353 WeakPolarHBondContact O-CA 3.25Å; L349-I355 HydrophobicContact CD1-CD1 3.67Å; L349-I355 HydrophobicContact CD1-CG1 3.75Å; L349-I355 HydrophobicContact CG-CD1 4.28Å
350K77.9Confident85.2Confident134 Ų13444.8 Ų44.858%0.58322%0.215SC*.Hα-helixtrans-89.8-53.3-171.3-67.3-178.4-179.7175.10112.5C346C346-K350 WeakPolarHBondContact O-CB 3.5Å; C346-K350 PolarHBondContact O-N 2.9Å
351E72.4Confident85.2Confident108 Ų10844.8 Ų44.851%0.50522%0.215SC..THydrogen-bonded Turntrans-76.4-45.4-172.2-55.2-172.2161.400110.4S347S347-E351 WeakPolarHBondContact O-CA 3.04Å; S347-E351 VanDerWaalsContact O-CB 3.26Å; S347-E351 WeakPolarHBondContact O-CB 3.42Å; S347-E351 PolarHBondContact O-N 3.4Å
352H73Confident85.4Confident66 Ų6645.1 Ų45.131%0.30621%0.213SC..SBendtrans-91-1.6-178.3-58.2-67.8000114S347 L348 L354 V478 F479S347-H352 PolarHBondContact O-CD2 3.46Å; S347-H352 PolarHBondContact O-N 2.95Å; L348-H352 HydrophobicContact CD1-CB 4.43Å; H352-L354 VanDerWaalsContact C-N 3.28Å; H352-L354 PolarHBondContact O-N 3.3Å; H352-V478 HydrophobicContact CB-CG1 4.32Å; H352-V478 WeakPolarHBondContact CD2-CG1 3.42Å; H352-V478 WeakPolarHBondContact NE2-CG1 3.26Å; H352-F479 HydrophobicContact CB-CE1 3.97Å; H352-F479 HydrophobicContact CB-CZ 3.77Å; H352-F479 WeakPolarHBondContact O-CZ 3.35Å
353K84.3Confident85.5Confident115 Ų11541.3 Ų41.350%0.520%0.2SC..  trans51.745.2177.1-63.6158.3154.7-164.50112.3L349 I355 Q356 Y357L349-K353 WeakPolarHBondContact O-CA 3.25Å; K353-I355 PolarHBondContact O-N 2.98Å; K353-Q356 HydrophobicContact CB-CB 4.09Å; K353-Q356 HydrophobicContact CB-CG 4.05Å; K353-Q356 VanDerWaalsContact CD-OE1 3.23Å; K353-Q356 WeakPolarHBondContact O-CA 3.38Å; K353-Q356 WeakPolarHBondContact O-CB 3.44Å; K353-Q356 PolarHBondContact O-N 3.07Å; K353-Y357 PolarHBondContact O-N 3.01Å; K353-Y357 VanDerWaalsContact O-N 3.16Å
354L87Confident85.8Confident1 Ų139.3 Ų39.31%0.00519%0.191CC..Hα-helixtrans-46.9-40-178.2176.164.7000113.7L348 H352 Q356 Y357 I358 F479 L482 L569L348-L354 HydrophobicContact CD2-CD2 3.93Å; L348-L354 HydrophobicContact CG-CB 4.27Å; L348-L354 HydrophobicContact CG-CD2 4.05Å; L348-L354 VanDerWaalsContact O-CB 3.3Å; L348-L354 WeakPolarHBondContact O-CB 3.15Å; L348-L354 PolarHBondContact O-N 3.24Å; H352-L354 VanDerWaalsContact C-N 3.28Å; H352-L354 PolarHBondContact O-N 3.3Å; L354-Q356 VanDerWaalsContact C-N 3.32Å; L354-Q356 PolarHBondContact O-N 3.48Å; L354-Y357 PolarHBondContact O-N 3.39Å; L354-I358 HydrophobicContact CD1-CD1 3.84Å; L354-I358 HydrophobicContact CD1-CG1 4.06Å; L354-I358 HydrophobicContact CD2-CD1 4.33Å; L354-I358 HydrophobicContact CG-CD1 3.79Å; L354-I358 HydrophobicContact CG-CG1 4.36Å; L354-I358 WeakPolarHBondContact O-CG1 3.46Å; L354-I358 PolarHBondContact O-N 3.03Å; L354-F479 HydrophobicContact CB-CE1 3.96Å; L354-F479 HydrophobicContact CB-CZ 4.43Å; L354-F479 HydrophobicContact CD1-CD1 3.69Å; L354-F479 HydrophobicContact CD1-CE1 3.47Å; L354-F479 VanDerWaalsContact CD1-CE1 3.47Å; L354-F479 HydrophobicContact CD1-CZ 4.22Å; L354-F479 HydrophobicContact CG-CE1 4.32Å; L354-L482 HydrophobicContact CD1-CD1 3.55Å; L354-L482 HydrophobicContact CD2-CD1 3.65Å; L354-L482 HydrophobicContact CG-CD1 4.26Å; L354-L569 HydrophobicContact CD2-CD2 3.77Å; L354-L569 HydrophobicContact CG-CD2 4.21Å
355I87.9Confident86Confident44 Ų4438.2 Ų38.223%0.22618%0.184CC..Hα-helixtrans-60.6-43.4178.3-65.3165.6000110.8L349 K353 Y357 I358 C359 I566 H570L349-I355 HydrophobicContact CD1-CD1 3.67Å; L349-I355 HydrophobicContact CD1-CG1 3.75Å; L349-I355 HydrophobicContact CG-CD1 4.28Å; K353-I355 PolarHBondContact O-N 2.98Å; I355-Y357 VanDerWaalsContact C-N 3.34Å; I355-I358 PolarHBondContact O-N 3.13Å; I355-C359 WeakPolarHBondContact O-CB 3.11Å; I355-C359 PolarHBondContact O-N 3.35Å; I355-C359 PolarHBondContact O-SG 2.97Å; I355-I566 HydrophobicContact CG2-CD1 4.36Å; I355-H570 WeakPolarHBondContact CD1-NE2 3.5Å
356Q88.4Confident86.3Confident113 Ų11337.2 Ų37.253%0.52818%0.18SC..Hα-helixtrans-64.6-42.5178.8-60.1-177.6-500110.3K353 L354 C359 L360K353-Q356 HydrophobicContact CB-CB 4.09Å; K353-Q356 HydrophobicContact CB-CG 4.05Å; K353-Q356 VanDerWaalsContact CD-OE1 3.23Å; K353-Q356 WeakPolarHBondContact O-CA 3.38Å; K353-Q356 WeakPolarHBondContact O-CB 3.44Å; K353-Q356 PolarHBondContact O-N 3.07Å; L354-Q356 VanDerWaalsContact C-N 3.32Å; L354-Q356 PolarHBondContact O-N 3.48Å; Q356-C359 WeakPolarHBondContact O-CB 3.5Å; Q356-C359 PolarHBondContact O-N 2.89Å; Q356-L360 VanDerWaalsContact O-CB 3.29Å; Q356-L360 WeakPolarHBondContact O-CB 3.22Å; Q356-L360 PolarHBondContact O-N 3.31Å
357Y90.1Very high86.5Confident8 Ų836.7 Ų36.73%0.03118%0.175CC..Hα-helixtrans-62.1-44.7175.8-175.6-104.3000112.5K353 L354 I355 C359 L360 V361 N444 I473 P476 F479 F483K353-Y357 PolarHBondContact O-N 3.01Å; K353-Y357 VanDerWaalsContact O-N 3.16Å; L354-Y357 PolarHBondContact O-N 3.39Å; I355-Y357 VanDerWaalsContact C-N 3.34Å; Y357-C359 PolarHBondContact O-N 3.06Å; Y357-L360 WeakPolarHBondContact O-CB 3.44Å; Y357-L360 PolarHBondContact O-N 3.44Å; Y357-V361 HydrophobicContact CD1-CG2 4.32Å; Y357-V361 HydrophobicContact CE1-CG2 3.95Å; Y357-V361 WeakPolarHBondContact O-CG2 3.4Å; Y357-V361 PolarHBondContact O-N 3.42Å; Y357-N444 HydrophobicContact CE2-CB 4.29Å; Y357-I473 VanDerWaalsContact OH-CG2 3.25Å; Y357-I473 WeakPolarHBondContact OH-CG2 3.32Å; Y357-P476 HydrophobicContact CE2-CG 4.26Å; Y357-F479 AromaticContact CD1-CD2 3.68Å; Y357-F479 HydrophobicContact CD1-CD2 3.68Å; Y357-F479 AromaticContact CD1-CE2 3.82Å; Y357-F479 HydrophobicContact CD1-CE2 3.82Å; Y357-F479 HydrophobicContact CD1-CG 4.22Å; Y357-F479 HydrophobicContact CD1-CZ 4.46Å; Y357-F479 HydrophobicContact CD2-CD2 4.17Å; Y357-F479 AromaticContact CD2-CE2 3.94Å; Y357-F479 HydrophobicContact CD2-CE2 3.94Å; Y357-F479 HydrophobicContact CE1-CB 4.47Å; Y357-F479 AromaticContact CE1-CD2 3.85Å; Y357-F479 HydrophobicContact CE1-CD2 3.85Å; Y357-F479 HydrophobicContact CE1-CE2 4.41Å; Y357-F479 HydrophobicContact CE1-CG 4.33Å; Y357-F479 HydrophobicContact CE2-CD2 4.32Å; Y357-F479 AromaticContact CG-CD2 3.85Å; Y357-F479 HydrophobicContact CG-CD2 3.85Å; Y357-F479 AromaticContact CG-CE2 3.56Å; Y357-F479 HydrophobicContact CG-CE2 3.56Å; Y357-F479 HydrophobicContact CG-CZ 4.26Å; Y357-F483 AromaticContact CD1-CE2 3.73Å; Y357-F483 HydrophobicContact CD1-CE2 3.73Å; Y357-F483 AromaticContact CD1-CZ 3.83Å; Y357-F483 HydrophobicContact CD1-CZ 3.83Å; Y357-F483 AromaticContact CE1-CD2 3.96Å; Y357-F483 HydrophobicContact CE1-CD2 3.96Å; Y357-F483 HydrophobicContact CE1-CE1 4.07Å; Y357-F483 AromaticContact CE1-CE2 3.4Å; Y357-F483 HydrophobicContact CE1-CE2 3.4Å; Y357-F483 VanDerWaalsContact CE1-CE2 3.4Å; Y357-F483 AromaticContact CE1-CZ 3.46Å; Y357-F483 HydrophobicContact CE1-CZ 3.46Å; Y357-F483 VanDerWaalsContact CE1-CZ 3.46Å
358I90.2Very high86.4Confident2 Ų238 Ų381%0.0119%0.19CC..Hα-helixtrans-65.2-39.5176.6-70.5172.1000111.4L354 I355 L360 V361 K362 F483 F562 L565 L569L354-I358 HydrophobicContact CD1-CD1 3.84Å; L354-I358 HydrophobicContact CD1-CG1 4.06Å; L354-I358 HydrophobicContact CD2-CD1 4.33Å; L354-I358 HydrophobicContact CG-CD1 3.79Å; L354-I358 HydrophobicContact CG-CG1 4.36Å; L354-I358 WeakPolarHBondContact O-CG1 3.46Å; L354-I358 PolarHBondContact O-N 3.03Å; I355-I358 PolarHBondContact O-N 3.13Å; I358-L360 VanDerWaalsContact C-N 3.32Å; I358-V361 PolarHBondContact O-N 2.95Å; I358-K362 PolarHBondContact O-N 2.97Å; I358-F483 HydrophobicContact CG1-CZ 4.34Å; I358-F562 HydrophobicContact CG2-CE2 3.72Å; I358-F562 HydrophobicContact CG2-CZ 4.24Å; I358-L565 HydrophobicContact CG2-CD2 4.3Å; I358-L569 HydrophobicContact CD1-CD1 4.36Å; I358-L569 HydrophobicContact CD1-CD2 3.49Å; I358-L569 VanDerWaalsContact CD1-CD2 3.49Å
359C91.2Very high86.3Confident41 Ų4142.9 Ų42.928%0.27721%0.208SC..Hα-helixtrans-60.8-42.9172.4-72.30000111.4I355 Q356 Y357 K362 D363I355-C359 WeakPolarHBondContact O-CB 3.11Å; I355-C359 PolarHBondContact O-N 3.35Å; I355-C359 PolarHBondContact O-SG 2.97Å; Q356-C359 WeakPolarHBondContact O-CB 3.5Å; Q356-C359 PolarHBondContact O-N 2.89Å; Y357-C359 PolarHBondContact O-N 3.06Å; C359-K362 WeakPolarHBondContact O-CB 3.47Å; C359-K362 PolarHBondContact O-N 3.35Å; C359-D363 WeakPolarHBondContact O-CB 2.98Å; C359-D363 VanDerWaalsContact O-CG 3.25Å; C359-D363 PolarHBondContact O-N 2.98Å
360L90Very high86.2Confident20 Ų2042.5 Ų42.511%0.10521%0.211CC..Hα-helixtrans-64.6-41.2178.1-175.3161.4000111.1Q356 Y357 I358 K362 D363 V364 E440 L441 F445Q356-L360 VanDerWaalsContact O-CB 3.29Å; Q356-L360 WeakPolarHBondContact O-CB 3.22Å; Q356-L360 PolarHBondContact O-N 3.31Å; Y357-L360 WeakPolarHBondContact O-CB 3.44Å; Y357-L360 PolarHBondContact O-N 3.44Å; I358-L360 VanDerWaalsContact C-N 3.32Å; L360-K362 PolarHBondContact O-N 2.88Å; L360-D363 PolarHBondContact O-N 2.93Å; L360-V364 WeakPolarHBondContact O-CG2 2.81Å; L360-V364 PolarHBondContact O-N 3.39Å; L360-E440 VanDerWaalsContact CD1-CD 3.43Å; L360-E440 HydrophobicContact CD1-CG 4.03Å; L360-E440 WeakPolarHBondContact CD1-OE1 3.46Å; L360-L441 HydrophobicContact CD2-CD2 4.19Å; L360-F445 HydrophobicContact CD2-CD2 4.42Å; L360-F445 HydrophobicContact CD2-CE2 3.16Å; L360-F445 HydrophobicContact CD2-CZ 3.26Å; L360-F445 HydrophobicContact CG-CE2 4.49Å
361V91.1Very high86.6Confident0 Ų042.6 Ų42.60%021%0.213CC..Hα-helixtrans-60.6-42171.21700000111.7Y357 I358 L365 F445 I473 F483 Y491Y357-V361 HydrophobicContact CD1-CG2 4.32Å; Y357-V361 HydrophobicContact CE1-CG2 3.95Å; Y357-V361 WeakPolarHBondContact O-CG2 3.4Å; Y357-V361 PolarHBondContact O-N 3.42Å; I358-V361 PolarHBondContact O-N 2.95Å; V361-L365 HydrophobicContact CG1-CD1 4.28Å; V361-L365 WeakPolarHBondContact O-CB 3.44Å; V361-L365 PolarHBondContact O-N 3.4Å; V361-F445 HydrophobicContact CG2-CE1 4.27Å; V361-F445 HydrophobicContact CG2-CZ 4.24Å; V361-I473 HydrophobicContact CG1-CD1 4.02Å; V361-F483 HydrophobicContact CG1-CE1 4.44Å; V361-F483 HydrophobicContact CG2-CE1 4.17Å; V361-F483 HydrophobicContact CG2-CZ 4.3Å; V361-Y491 HydrophobicContact CG1-CD1 4.14Å; V361-Y491 HydrophobicContact CG1-CD2 4.35Å; V361-Y491 HydrophobicContact CG1-CE1 3.82Å; V361-Y491 HydrophobicContact CG1-CE2 4.03Å; V361-Y491 HydrophobicContact CG1-CG 4.4Å
362K91.7Very high87.3Confident28 Ų2837.4 Ų37.412%0.12219%0.189CC..Hα-helixtrans-62.2-48.8174.3-172.8-167.186.71630111.1I358 C359 L360 V364 L366 G368 I558 E559 F562I358-K362 PolarHBondContact O-N 2.97Å; C359-K362 WeakPolarHBondContact O-CB 3.47Å; C359-K362 PolarHBondContact O-N 3.35Å; L360-K362 PolarHBondContact O-N 2.88Å; K362-V364 VanDerWaalsContact C-N 3.26Å; K362-V364 PolarHBondContact O-N 2.9Å; K362-L366 HydrophobicContact CG-CB 4.27Å; K362-L366 HydrophobicContact CG-CD1 4.17Å; K362-L366 CarbonylContact O-C 3.5Å; K362-L366 WeakPolarHBondContact O-CA 3.22Å; K362-L366 WeakPolarHBondContact O-CB 3.47Å; K362-L366 PolarHBondContact O-N 2.83Å; K362-L366 VanDerWaalsContact O-N 3.08Å; K362-G368 PolarHBondContact O-N 2.82Å; K362-I558 HydrophobicContact CG-CG2 4.45Å; K362-E559 IonicContact NZ-OE1 3.87Å; K362-E559 IonicContact NZ-OE2 2.8Å; K362-E559 PolarHBondContact NZ-OE2 3.16Å; K362-F562 HydrophobicContact CB-CD2 4.31Å; K362-F562 HydrophobicContact CB-CE2 3.87Å; K362-F562 HydrophobicContact CB-CZ 4.3Å; K362-F562 HydrophobicContact CD-CB 4.21Å; K362-F562 HydrophobicContact CD-CD1 3.67Å; K362-F562 HydrophobicContact CD-CD2 3.55Å; K362-F562 HydrophobicContact CD-CE1 3.82Å; K362-F562 HydrophobicContact CD-CE2 3.69Å; K362-F562 HydrophobicContact CD-CG 3.53Å; K362-F562 HydrophobicContact CD-CZ 3.82Å; K362-F562 HydrophobicContact CG-CD2 4.12Å; K362-F562 HydrophobicContact CG-CE2 4.14Å
363D89.8Confident88Confident28 Ų2834.3 Ų34.315%0.1518%0.175CC..Hα-helixtrans-60.5-38.3-175.5-77.3-0.4000111.7C359 L360 G368 R369C359-D363 WeakPolarHBondContact O-CB 2.98Å; C359-D363 VanDerWaalsContact O-CG 3.25Å; C359-D363 PolarHBondContact O-N 2.98Å; L360-D363 PolarHBondContact O-N 2.93Å; D363-G368 PolarHBondContact O-N 2.79Å; D363-G368 VanDerWaalsContact O-N 3.15Å; D363-R369 HydrophobicContact CB-CB 4.46Å; D363-R369 HydrophobicContact CB-CG 3.85Å; D363-R369 PolarHBondContact O-N 3.3Å; D363-R369 VanDerWaalsContact O-N 3.1Å; D363-R369 IonicContact OD2-CZ 3.94Å; D363-R369 IonicContact OD2-NE 3.73Å; D363-R369 PolarHBondContact OD2-NE 2.9Å; D363-R369 IonicContact OD2-NH2 3.55Å; D363-R369 PolarHBondContact OD2-NH2 2.93Å
364V91.3Very high88.1Confident0 Ų031.5 Ų31.50%017%0.165CC..Hα-helixtrans-88.4-63.2-179.8178.20000112.2L360 K362 L367 L372 F373 F427 L441 F445 L471L360-V364 WeakPolarHBondContact O-CG2 2.81Å; L360-V364 PolarHBondContact O-N 3.39Å; K362-V364 VanDerWaalsContact C-N 3.26Å; K362-V364 PolarHBondContact O-N 2.9Å; V364-L367 PolarHBondContact O-N 3.23Å; V364-L372 HydrophobicContact CG2-CD2 4.18Å; V364-F373 HydrophobicContact CG1-CZ 4.45Å; V364-F373 WeakPolarHBondContact O-CE2 3.25Å; V364-F373 WeakPolarHBondContact O-CZ 3.38Å; V364-F427 HydrophobicContact CG1-CE2 4.35Å; V364-F427 HydrophobicContact CG1-CZ 3.86Å; V364-L441 HydrophobicContact CG2-CD2 3.86Å; V364-F445 HydrophobicContact CB-CE2 3.96Å; V364-F445 HydrophobicContact CB-CZ 4.09Å; V364-F445 HydrophobicContact CG1-CD2 4.11Å; V364-F445 HydrophobicContact CG1-CE2 4.01Å; V364-F445 HydrophobicContact CG1-CG 4.4Å; V364-F445 HydrophobicContact CG1-CZ 4.31Å; V364-F445 HydrophobicContact CG2-CD2 4.41Å; V364-F445 HydrophobicContact CG2-CE2 3.76Å; V364-F445 HydrophobicContact CG2-CZ 4.29Å; V364-L471 HydrophobicContact CG1-CD2 3.89Å
365L90.4Very high88.1Confident0 Ų032 Ų320%017%0.17CC..Hα-helixtrans-77.3-27.4-170.7-79.493.9000114V361 F445 L471 I473 F495V361-L365 HydrophobicContact CG1-CD1 4.28Å; V361-L365 WeakPolarHBondContact O-CB 3.44Å; V361-L365 PolarHBondContact O-N 3.4Å; L365-F445 HydrophobicContact CD1-CD1 3.61Å; L365-F445 HydrophobicContact CD1-CE1 3.18Å; L365-F445 HydrophobicContact CD1-CZ 3.92Å; L365-L471 HydrophobicContact CD1-CD2 4.4Å; L365-L471 HydrophobicContact CD2-CG 4.39Å; L365-L471 HydrophobicContact CG-CD2 3.94Å; L365-L471 HydrophobicContact CG-CG 4.17Å; L365-I473 HydrophobicContact CD1-CD1 4.25Å; L365-I473 HydrophobicContact CD1-CG1 3.88Å; L365-I473 HydrophobicContact CD2-CD1 3.96Å; L365-I473 HydrophobicContact CD2-CG1 3.7Å; L365-I473 HydrophobicContact CG-CG1 4.48Å; L365-F495 WeakPolarHBondContact O-CA 3.42Å; L365-F495 WeakPolarHBondContact O-CB 3.29Å
366L91.1Very high88.1Confident0 Ų030 Ų300%016%0.159CC..THydrogen-bonded Turntrans-98.210.5176.6-57.5-177.9000112.4K362 G368 Y491 L494 L498 Q554 I558 Y585 L589K362-L366 HydrophobicContact CG-CB 4.27Å; K362-L366 HydrophobicContact CG-CD1 4.17Å; K362-L366 CarbonylContact O-C 3.5Å; K362-L366 WeakPolarHBondContact O-CA 3.22Å; K362-L366 WeakPolarHBondContact O-CB 3.47Å; K362-L366 PolarHBondContact O-N 2.83Å; K362-L366 VanDerWaalsContact O-N 3.08Å; L366-G368 PolarHBondContact O-N 3Å; L366-Y491 HydrophobicContact CD1-CE1 4.21Å; L366-Y491 HydrophobicContact CD2-CD1 4.18Å; L366-Y491 HydrophobicContact CG-CD1 4.35Å; L366-Y491 HydrophobicContact CG-CE1 4.39Å; L366-L494 HydrophobicContact CD2-CB 3.81Å; L366-L494 HydrophobicContact CD2-CD1 4.01Å; L366-L494 HydrophobicContact CD2-CG 4.48Å; L366-L498 HydrophobicContact CB-CD1 4.41Å; L366-L498 HydrophobicContact CD2-CD1 4.1Å; L366-Q554 PolarHBondContact O-NE2 2.98Å; L366-I558 HydrophobicContact CB-CD1 4.33Å; L366-I558 HydrophobicContact CB-CG2 4.35Å; L366-I558 HydrophobicContact CD1-CG2 4.1Å; L366-Y585 VanDerWaalsContact CD1-OH 3.24Å; L366-Y585 WeakPolarHBondContact CD1-OH 3.36Å; L366-L589 HydrophobicContact CD1-CD1 3.89Å
367L89.2Confident88Confident11 Ų1125.1 Ų25.16%0.05814%0.137CC..  trans56.231.2-177.9-47.7177.4000113.1V364 R369 G370 F373 F495 L498 F499 R502V364-L367 PolarHBondContact O-N 3.23Å; L367-R369 PolarHBondContact O-N 2.83Å; L367-G370 PolarHBondContact O-N 2.78Å; L367-F373 HydrophobicContact CD2-CB 4.41Å; L367-F373 HydrophobicContact CD2-CD1 3.87Å; L367-F373 HydrophobicContact CD2-CD2 3.26Å; L367-F373 HydrophobicContact CD2-CE1 3.9Å; L367-F373 HydrophobicContact CD2-CE2 3.28Å; L367-F373 HydrophobicContact CD2-CG 3.56Å; L367-F373 HydrophobicContact CD2-CZ 3.6Å; L367-F373 HydrophobicContact CG-CD2 4.47Å; L367-F495 HydrophobicContact CD2-CD2 4.31Å; L367-F495 HydrophobicContact CD2-CE2 4.1Å; L367-L498 HydrophobicContact CD1-CB 3.64Å; L367-L498 HydrophobicContact CG-CB 4.16Å; L367-F499 HydrophobicContact CD2-CD2 4.34Å; L367-R502 HydrophobicContact CD1-CB 3.89Å; L367-R502 HydrophobicContact CD1-CG 4.41Å
368G80.9Confident87.7Confident35 Ų3529 Ų2936%0.36116%0.158SC..SBendtrans-58.3-33.7178.400000112.3K362 D363 L366K362-G368 PolarHBondContact O-N 2.82Å; D363-G368 PolarHBondContact O-N 2.79Å; D363-G368 VanDerWaalsContact O-N 3.15Å; L366-G368 PolarHBondContact O-N 3Å
369R82.6Confident87.4Confident116 Ų11631.7 Ų31.744%0.43817%0.17SC..SBendtrans-97.881.9167.8-69.6-174-169.4-159.61.9110.6D363 L367 E371 L372D363-R369 HydrophobicContact CB-CB 4.46Å; D363-R369 HydrophobicContact CB-CG 3.85Å; D363-R369 PolarHBondContact O-N 3.3Å; D363-R369 VanDerWaalsContact O-N 3.1Å; D363-R369 IonicContact OD2-CZ 3.94Å; D363-R369 IonicContact OD2-NE 3.73Å; D363-R369 PolarHBondContact OD2-NE 2.9Å; D363-R369 IonicContact OD2-NH2 3.55Å; D363-R369 PolarHBondContact OD2-NH2 2.93Å; L367-R369 PolarHBondContact O-N 2.83Å; R369-E371 PolarHBondContact O-N 3.33Å; R369-L372 HydrophobicContact CB-CB 4.32Å; R369-L372 WeakPolarHBondContact O-CB 3.3Å; R369-L372 PolarHBondContact O-N 3.29Å
370G79Confident87.1Confident22 Ų2229.7 Ų29.723%0.22716%0.157CC..Hα-helixtrans-57.5-23.3-178.800000115L367 L374 R502L367-G370 PolarHBondContact O-N 2.78Å; G370-L374 WeakPolarHBondContact O-CG 3.32Å; G370-L374 PolarHBondContact O-N 2.98Å; G370-R502 PolarHBondContact O-NH2 3.01Å
371E86.6Confident86.6Confident136 Ų13630.7 Ų30.764%0.63616%0.162SC*.Hα-helixtrans-70.9-32.5176.9-63.1177.8179.100113.1R369 F373 L374 A375 L434R369-E371 PolarHBondContact O-N 3.33Å; E371-F373 VanDerWaalsContact C-N 3.28Å; E371-F373 PolarHBondContact O-N 3.21Å; E371-L374 WeakPolarHBondContact O-CB 3.49Å; E371-L374 PolarHBondContact O-N 2.8Å; E371-L374 VanDerWaalsContact O-N 3.16Å; E371-A375 PolarHBondContact O-N 3.23Å; E371-L434 HydrophobicContact CB-CD1 4.3Å; E371-L434 HydrophobicContact CB-CD2 4.39Å
372L88.4Confident85.9Confident0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-58.3-43.9177.6-179.464.6000111.4V364 R369 F376 F427 A430 A431 L434 M436V364-L372 HydrophobicContact CG2-CD2 4.18Å; R369-L372 HydrophobicContact CB-CB 4.32Å; R369-L372 WeakPolarHBondContact O-CB 3.3Å; R369-L372 PolarHBondContact O-N 3.29Å; L372-F376 WeakPolarHBondContact O-CB 3.49Å; L372-F376 PolarHBondContact O-N 3.25Å; L372-F427 HydrophobicContact CD1-CE2 4.42Å; L372-F427 HydrophobicContact CD2-CE2 3.69Å; L372-F427 HydrophobicContact CD2-CZ 4.02Å; L372-F427 HydrophobicContact CG-CE2 4.06Å; L372-A430 HydrophobicContact CD1-CB 4.32Å; L372-A431 HydrophobicContact CD1-CB 4.22Å; L372-L434 HydrophobicContact CB-CD1 3.95Å; L372-L434 HydrophobicContact CD1-CD1 4Å; L372-M436 HydrophobicContact CD1-SD 4.06Å; L372-M436 HydrophobicContact CD2-SD 4.15Å
373F87.2Confident84.9Confident0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-79-20.1-178.9-70.5-86.2000113.4V364 L367 E371 F376 L377 F427 F495 F499V364-F373 HydrophobicContact CG1-CZ 4.45Å; V364-F373 WeakPolarHBondContact O-CE2 3.25Å; V364-F373 WeakPolarHBondContact O-CZ 3.38Å; L367-F373 HydrophobicContact CD2-CB 4.41Å; L367-F373 HydrophobicContact CD2-CD1 3.87Å; L367-F373 HydrophobicContact CD2-CD2 3.26Å; L367-F373 HydrophobicContact CD2-CE1 3.9Å; L367-F373 HydrophobicContact CD2-CE2 3.28Å; L367-F373 HydrophobicContact CD2-CG 3.56Å; L367-F373 HydrophobicContact CD2-CZ 3.6Å; L367-F373 HydrophobicContact CG-CD2 4.47Å; E371-F373 VanDerWaalsContact C-N 3.28Å; E371-F373 PolarHBondContact O-N 3.21Å; F373-F376 AromaticContact CD1-CD1 3.94Å; F373-F376 HydrophobicContact CD1-CD1 3.94Å; F373-F376 HydrophobicContact CE1-CD1 4.5Å; F373-L377 WeakPolarHBondContact O-CD1 3.32Å; F373-L377 VanDerWaalsContact O-CG 3.27Å; F373-L377 WeakPolarHBondContact O-CG 3.46Å; F373-L377 PolarHBondContact O-N 2.95Å; F373-F427 HydrophobicContact CZ-CE2 4.36Å; F373-F495 HydrophobicContact CD1-CE2 4.5Å; F373-F495 AromaticContact CE1-CE2 3.57Å; F373-F495 HydrophobicContact CE1-CE2 3.57Å; F373-F495 HydrophobicContact CE1-CZ 4.07Å; F373-F495 AromaticContact CZ-CE2 3.76Å; F373-F495 HydrophobicContact CZ-CE2 3.76Å; F373-F499 HydrophobicContact CB-CE2 4.4Å; F373-F499 AromaticContact CD1-CD2 3.85Å; F373-F499 HydrophobicContact CD1-CD2 3.85Å; F373-F499 AromaticContact CD1-CE2 3.6Å; F373-F499 HydrophobicContact CD1-CE2 3.6Å; F373-F499 HydrophobicContact CE1-CD2 4.39Å; F373-F499 HydrophobicContact CE1-CE2 4.36Å; F373-F499 HydrophobicContact CG-CE2 4.37Å
374L86Confident83.9Confident56 Ų5635.4 Ų35.429%0.29319%0.192SC..Hα-helixtrans-65.7-58.2167.1-65177.5000109.7G370 E371 F376 L377 D378 L506G370-L374 WeakPolarHBondContact O-CG 3.32Å; G370-L374 PolarHBondContact O-N 2.98Å; E371-L374 WeakPolarHBondContact O-CB 3.49Å; E371-L374 PolarHBondContact O-N 2.8Å; E371-L374 VanDerWaalsContact O-N 3.16Å; L374-F376 PolarHBondContact O-N 2.75Å; L374-L377 PolarHBondContact O-N 3.49Å; L374-L377 VanDerWaalsContact O-N 3.08Å; L374-D378 PolarHBondContact O-N 3.33Å; L374-L506 HydrophobicContact CD2-CD1 3.62Å; L374-L506 HydrophobicContact CD2-CD2 3.04Å; L374-L506 HydrophobicContact CD2-CG 3.92Å
375A86.7Confident82.6Confident13 Ų1337.6 Ų37.611%0.10720%0.204CC..Hα-helixtrans-58.4-39.818000000111.3E371 L377 D378 H379 A430 L434E371-A375 PolarHBondContact O-N 3.23Å; A375-L377 PolarHBondContact O-N 3.2Å; A375-D378 PolarHBondContact O-N 3.25Å; A375-H379 WeakPolarHBondContact O-CB 3.23Å; A375-H379 PolarHBondContact O-CD2 3.29Å; A375-H379 PolarHBondContact O-N 3.33Å; A375-A430 HydrophobicContact CB-CB 3.81Å; A375-L434 HydrophobicContact CB-CD1 4.46Å
376F88.6Confident81.1Confident0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-58.2-46.6175.3169.7-124.1000112.8L372 F373 L374 D378 H379 L380 V423 A426 F427 A430 F447 F499L372-F376 WeakPolarHBondContact O-CB 3.49Å; L372-F376 PolarHBondContact O-N 3.25Å; F373-F376 AromaticContact CD1-CD1 3.94Å; F373-F376 HydrophobicContact CD1-CD1 3.94Å; F373-F376 HydrophobicContact CE1-CD1 4.5Å; L374-F376 PolarHBondContact O-N 2.75Å; F376-D378 VanDerWaalsContact C-N 3.35Å; F376-H379 PolarHBondContact O-N 3.42Å; F376-L380 HydrophobicContact CD1-CD1 4.23Å; F376-L380 HydrophobicContact CD2-CD1 4.09Å; F376-L380 HydrophobicContact CD2-CG 4.1Å; F376-L380 HydrophobicContact CE1-CD1 3.72Å; F376-L380 HydrophobicContact CE2-CD1 3.54Å; F376-L380 HydrophobicContact CE2-CD2 4.16Å; F376-L380 HydrophobicContact CE2-CG 3.72Å; F376-L380 HydrophobicContact CG-CD1 4.43Å; F376-L380 HydrophobicContact CZ-CD1 3.36Å; F376-L380 HydrophobicContact CZ-CG 4.08Å; F376-L380 WeakPolarHBondContact O-CB 3.23Å; F376-L380 WeakPolarHBondContact O-CG 3.15Å; F376-L380 PolarHBondContact O-N 3.44Å; F376-V423 HydrophobicContact CE2-CG1 4.17Å; F376-V423 WeakPolarHBondContact CE2-O 3.33Å; F376-V423 HydrophobicContact CZ-CG1 3.88Å; F376-A426 HydrophobicContact CD2-CB 4.18Å; F376-A426 HydrophobicContact CE2-CB 4.13Å; F376-F427 HydrophobicContact CD2-CB 3.81Å; F376-F427 HydrophobicContact CD2-CD2 4.41Å; F376-F427 HydrophobicContact CE2-CB 3.84Å; F376-A430 HydrophobicContact CB-CB 3.94Å; F376-A430 VanDerWaalsContact N-CB 3.29Å; F376-F447 HydrophobicContact CZ-CZ 4.4Å; F376-F499 HydrophobicContact CD1-CE2 4.42Å; F376-F499 HydrophobicContact CD1-CZ 4.26Å; F376-F499 HydrophobicContact CE1-CE2 4.41Å; F376-F499 AromaticContact CE1-CZ 3.86Å; F376-F499 HydrophobicContact CE1-CZ 3.86Å
377L85.3Confident79.5Confident12 Ų1246 Ų466%0.06325%0.252CS..Hα-helixtrans-67.6-37.1178.2-72.8168.6000111.7F373 L374 A375 L380 N381 L405 F499 L506F373-L377 WeakPolarHBondContact O-CD1 3.32Å; F373-L377 VanDerWaalsContact O-CG 3.27Å; F373-L377 WeakPolarHBondContact O-CG 3.46Å; F373-L377 PolarHBondContact O-N 2.95Å; L374-L377 PolarHBondContact O-N 3.49Å; L374-L377 VanDerWaalsContact O-N 3.08Å; A375-L377 PolarHBondContact O-N 3.2Å; L377-L380 HydrophobicContact CD2-CD1 4.29Å; L377-L380 PolarHBondContact O-N 3.1Å; L377-N381 WeakPolarHBondContact O-CB 3.5Å; L377-N381 VanDerWaalsContact O-CG 3.26Å; L377-N381 PolarHBondContact O-N 3.27Å; L377-N381 PolarHBondContact O-ND2 3.14Å; L377-L405 HydrophobicContact CD2-CD1 3.67Å; L377-F499 HydrophobicContact CD1-CE2 4.49Å; L377-F499 HydrophobicContact CD2-CZ 4.13Å; L377-L506 HydrophobicContact CD1-CD1 3.3Å
378D85Confident77.7Confident88 Ų8848.6 Ų48.647%0.47127%0.266SS..Hα-helixtrans-61.8-47.4173.6-69.5-24.2000111.4L374 A375 F376 L380 N381 I382L374-D378 PolarHBondContact O-N 3.33Å; A375-D378 PolarHBondContact O-N 3.25Å; F376-D378 VanDerWaalsContact C-N 3.35Å; D378-L380 PolarHBondContact O-N 2.78Å; D378-N381 PolarHBondContact O-N 2.84Å; D378-I382 VanDerWaalsContact O-CG1 3.29Å; D378-I382 WeakPolarHBondContact O-CG1 3.14Å; D378-I382 PolarHBondContact O-N 3.19Å
379H84.1Confident76.2Confident59 Ų5952.3 Ų52.327%0.27328%0.277SS..Hα-helixtrans-63.8-39.3177.6-79.8-68.6000112.6A375 F376 N381 I382 S383 A426A375-H379 WeakPolarHBondContact O-CB 3.23Å; A375-H379 PolarHBondContact O-CD2 3.29Å; A375-H379 PolarHBondContact O-N 3.33Å; F376-H379 PolarHBondContact O-N 3.42Å; H379-N381 VanDerWaalsContact C-N 3.33Å; H379-N381 PolarHBondContact O-N 3.23Å; H379-I382 PolarHBondContact O-N 3.01Å; H379-S383 PolarHBondContact O-N 3.37Å; H379-A426 HydrophobicContact CB-CB 4.21Å
380L83.9Confident74.5Confident0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-60.5-42.6172.7-80.6175.9000112F376 L377 D378 N384 I404 L405 V423 A426F376-L380 HydrophobicContact CD1-CD1 4.23Å; F376-L380 HydrophobicContact CD2-CD1 4.09Å; F376-L380 HydrophobicContact CD2-CG 4.1Å; F376-L380 HydrophobicContact CE1-CD1 3.72Å; F376-L380 HydrophobicContact CE2-CD1 3.54Å; F376-L380 HydrophobicContact CE2-CD2 4.16Å; F376-L380 HydrophobicContact CE2-CG 3.72Å; F376-L380 HydrophobicContact CG-CD1 4.43Å; F376-L380 HydrophobicContact CZ-CD1 3.36Å; F376-L380 HydrophobicContact CZ-CG 4.08Å; F376-L380 WeakPolarHBondContact O-CB 3.23Å; F376-L380 WeakPolarHBondContact O-CG 3.15Å; F376-L380 PolarHBondContact O-N 3.44Å; L377-L380 HydrophobicContact CD2-CD1 4.29Å; L377-L380 PolarHBondContact O-N 3.1Å; D378-L380 PolarHBondContact O-N 2.78Å; L380-N384 PolarHBondContact O-N 3.2Å; L380-I404 WeakPolarHBondContact O-CD1 3.45Å; L380-L405 HydrophobicContact CD1-CD1 3.96Å; L380-L405 HydrophobicContact CD1-CD2 4.47Å; L380-L405 HydrophobicContact CD1-CG 4.2Å; L380-V423 HydrophobicContact CD2-CG2 4.11Å; L380-A426 HydrophobicContact CD2-CB 3.59Å; L380-A426 HydrophobicContact CG-CB 3.78Å
381N78.8Confident73Confident40 Ų4058.7 Ų58.721%0.21431%0.314CS..Hα-helixtrans-68.6-38.4178.8-72-21.8000111.9L377 D378 H379 N384 N385 S403L377-N381 WeakPolarHBondContact O-CB 3.5Å; L377-N381 VanDerWaalsContact O-CG 3.26Å; L377-N381 PolarHBondContact O-N 3.27Å; L377-N381 PolarHBondContact O-ND2 3.14Å; D378-N381 PolarHBondContact O-N 2.84Å; H379-N381 VanDerWaalsContact C-N 3.33Å; H379-N381 PolarHBondContact O-N 3.23Å; N381-N384 WeakPolarHBondContact O-CB 3.15Å; N381-N384 PolarHBondContact O-N 3.12Å; N381-N385 PolarHBondContact O-N 3.47Å; N381-N385 VanDerWaalsContact O-N 3.16Å; N381-S403 WeakPolarHBondContact OD1-CB 3.21Å; N381-S403 PolarHBondContact OD1-OG 2.66Å
382I77.5Confident70.9Confident105 Ų10555.5 Ų55.554%0.53831%0.307SS..Hα-helixtrans-64-45.5175.9-67.1163.4000111.3D378 H379 N384 N385 L386D378-I382 VanDerWaalsContact O-CG1 3.29Å; D378-I382 WeakPolarHBondContact O-CG1 3.14Å; D378-I382 PolarHBondContact O-N 3.19Å; H379-I382 PolarHBondContact O-N 3.01Å; I382-N384 VanDerWaalsContact C-N 3.29Å; I382-N384 PolarHBondContact O-N 3.3Å; I382-N385 WeakPolarHBondContact O-CB 3.32Å; I382-N385 PolarHBondContact O-N 2.96Å; I382-N385 VanDerWaalsContact O-N 3.08Å; I382-L386 PolarHBondContact O-N 3.49Å; I382-L386 VanDerWaalsContact O-N 3.09Å
383S69.8Low68.4Low47 Ų4767.8 Ų67.833%0.32935%0.353SS..Hα-helixtrans-59.4-40.2178.1-179.20000112.1H379 N385 L386 S387H379-S383 PolarHBondContact O-N 3.37Å; S383-N385 VanDerWaalsContact C-N 3.33Å; S383-N385 PolarHBondContact O-N 3.36Å; S383-L386 PolarHBondContact O-N 2.88Å; S383-S387 PolarHBondContact O-N 2.96Å; S383-S387 VanDerWaalsContact O-N 3.11Å; S383-S387 PolarHBondContact O-OG 2.92Å
384N69.1Low65.8Low3 Ų372.5 Ų72.52%0.01639%0.385CS..Hα-helixtrans-62-38.8174.2-162.427000112.8L380 N381 I382 S387 N388 H402 I404 K407L380-N384 PolarHBondContact O-N 3.2Å; N381-N384 WeakPolarHBondContact O-CB 3.15Å; N381-N384 PolarHBondContact O-N 3.12Å; I382-N384 VanDerWaalsContact C-N 3.29Å; I382-N384 PolarHBondContact O-N 3.3Å; N384-S387 PolarHBondContact O-OG 2.92Å; N384-N388 WeakPolarHBondContact O-CB 3.31Å; N384-N388 PolarHBondContact O-N 3.38Å; N384-N388 VanDerWaalsContact O-N 3.15Å; N384-N388 PolarHBondContact O-ND2 3.43Å; N384-H402 PolarHBondContact ND2-O 3.18Å; N384-I404 HydrophobicContact CB-CD1 3.82Å; N384-I404 HydrophobicContact CB-CG1 3.61Å; N384-K407 PolarHBondContact OD1-NZ 3.18Å
385N63.6Low63.2Low47 Ų4772.3 Ų72.325%0.25140%0.397SS..Hα-helixtrans-68.6-40.1-179.7-73-15.9000111.2N381 I382 S383 N388 I389 Q401N381-N385 PolarHBondContact O-N 3.47Å; N381-N385 VanDerWaalsContact O-N 3.16Å; I382-N385 WeakPolarHBondContact O-CB 3.32Å; I382-N385 PolarHBondContact O-N 2.96Å; I382-N385 VanDerWaalsContact O-N 3.08Å; S383-N385 VanDerWaalsContact C-N 3.33Å; S383-N385 PolarHBondContact O-N 3.36Å; N385-N388 PolarHBondContact O-N 2.71Å; N385-I389 WeakPolarHBondContact O-CD1 3.29Å; N385-I389 VanDerWaalsContact O-CG1 3.26Å; N385-I389 WeakPolarHBondContact O-CG1 3.44Å; N385-I389 PolarHBondContact O-N 3.35Å; N385-I389 VanDerWaalsContact O-N 3.1Å; N385-Q401 PolarHBondContact OD1-NE2 3.12Å; N385-Q401 PolarHBondContact OD1-OE1 3Å
386L58.8Low60.7Low116 Ų11678.6 Ų78.661%0.60743%0.434SS*.Hα-helixtrans-66.9-41.1178.4-16962.2000112.3I382 S383 N388I382-L386 PolarHBondContact O-N 3.49Å; I382-L386 VanDerWaalsContact O-N 3.09Å; S383-L386 PolarHBondContact O-N 2.88Å; L386-N388 VanDerWaalsContact C-N 3.35Å; L386-N388 PolarHBondContact O-N 3.01Å
387S58Low57.8Low59 Ų5982.3 Ų82.341%0.41346%0.457SS..Hα-helixtrans-65.6-35.2176.157.90000112.9S383 N384S383-S387 PolarHBondContact O-N 2.96Å; S383-S387 VanDerWaalsContact O-N 3.11Å; S383-S387 PolarHBondContact O-OG 2.92Å; N384-S387 PolarHBondContact O-OG 2.92Å
388N51.9Low55.5Low66 Ų6686.2 Ų86.235%0.35348%0.484SS..Hα-helixtrans-77.6-29.7179.5-76.8-30000114.5N384 N385 L386 N390 N391 S392N384-N388 WeakPolarHBondContact O-CB 3.31Å; N384-N388 PolarHBondContact O-N 3.38Å; N384-N388 VanDerWaalsContact O-N 3.15Å; N384-N388 PolarHBondContact O-ND2 3.43Å; N385-N388 PolarHBondContact O-N 2.71Å; L386-N388 VanDerWaalsContact C-N 3.35Å; L386-N388 PolarHBondContact O-N 3.01Å; N388-N390 PolarHBondContact O-N 3.21Å; N388-N391 PolarHBondContact O-N 3.24Å; N388-N391 VanDerWaalsContact O-N 3.15Å; N388-S392 PolarHBondContact O-N 2.75Å; N388-S392 PolarHBondContact O-OG 3.39Å
389I50.5Low53.2Low113 Ų11390 Ų9058%0.57950%0.496SS*.Hα-helixtrans-60-36.8177.1-73.1162.9000110.6N385 N391 S392N385-I389 WeakPolarHBondContact O-CD1 3.29Å; N385-I389 VanDerWaalsContact O-CG1 3.26Å; N385-I389 WeakPolarHBondContact O-CG1 3.44Å; N385-I389 PolarHBondContact O-N 3.35Å; N385-I389 VanDerWaalsContact O-N 3.1Å; I389-N391 PolarHBondContact O-N 3.19Å; I389-S392 PolarHBondContact O-N 3.13Å
390N46.5Very low51.2Low128 Ų12890.2 Ų90.268%0.68450%0.499SS*.THydrogen-bonded Turntrans-67.6-23.5-179.5-65-18.2000113.3N388N388-N390 PolarHBondContact O-N 3.21Å
391N47.5Very low49.6Very low145 Ų14596.7 Ų96.778%0.77553%0.529SS*.THydrogen-bonded Turntrans-98.9-11.6-179.9-75.2-21.7000114.1N388 I389N388-N391 PolarHBondContact O-N 3.24Å; N388-N391 VanDerWaalsContact O-N 3.15Å; I389-N391 PolarHBondContact O-N 3.19Å
392S41.4Very low48.3Very low69 Ų6998.9 Ų98.948%0.48354%0.538SS..  trans-120.178.4-174.455.60000112N388 I389 C394N388-S392 PolarHBondContact O-N 2.75Å; N388-S392 PolarHBondContact O-OG 3.39Å; I389-S392 PolarHBondContact O-N 3.13Å; S392-C394 PolarHBondContact O-N 3.4Å
393R35.7Very low47.7Very low257 Ų25794.7 Ų94.797%0.9752%0.518SS*.  trans-74.862.5163.5-153.6177.8-175.4-173.91.5109.8
394C32.3Very low47.6Very low99 Ų9993 Ų9367%0.66951%0.505SS*.  trans-155.4118.9170.5-168.70000110.3S392S392-C394 PolarHBondContact O-N 3.4Å
395G31.7Very low47.7Very low52 Ų5292.9 Ų92.954%0.53651%0.505SS..  trans-64152.7-178.300000114.3T397G395-T397 VanDerWaalsContact C-N 3.34Å; G395-T397 PolarHBondContact O-N 2.88Å
396T34.2Very low48Very low145 Ų14592.7 Ų92.789%0.8950%0.503SS*.SBendtrans59.217151.6490000119.8
397T29.1Very low48.6Very low78 Ų7891 Ų9148%0.47949%0.491SS..  trans-93.7102.2159.863.90000108.7G395 K399G395-T397 VanDerWaalsContact C-N 3.34Å; G395-T397 PolarHBondContact O-N 2.88Å; T397-K399 PolarHBondContact O-N 3.04Å
398C36.9Very low49.1Very low94 Ų9493.1 Ų93.164%0.63550%0.504SS*.  trans-61.975.7170-62.80000109.8I400 Y623C398-I400 PolarHBondContact O-N 3.48Å; C398-Y623 WeakPolarHBondContact O-CE2 3.44Å
399K35Very low50Low167 Ų16791.1 Ų91.173%0.72649%0.494SS*.  trans-65.6124.9166.4-72-178178.3179.40106.2T397 Q401T397-K399 PolarHBondContact O-N 3.04Å; K399-Q401 PolarHBondContact O-N 2.85Å
400I44.1Very low50.8Low65 Ų6587.3 Ų87.333%0.33348%0.477SS..  trans-44.5105.6175.7-58.1169.8000107.6C398 H402 Q620C398-I400 PolarHBondContact O-N 3.48Å; I400-H402 PolarHBondContact O-CD2 2.98Å; I400-H402 PolarHBondContact O-N 3.43Å; I400-Q620 HydrophobicContact CD1-CG 3.78Å
401Q48.9Very low51.9Low135 Ų13586.8 Ų86.863%0.63148%0.478SS*.  trans-73.895.8-177.4-78.5176.2-25.300107.4N385 K399 S403N385-Q401 PolarHBondContact OD1-NE2 3.12Å; N385-Q401 PolarHBondContact OD1-OE1 3Å; K399-Q401 PolarHBondContact O-N 2.85Å; Q401-S403 PolarHBondContact O-N 3.19Å
402H52.5Low53.1Low86 Ų8684.6 Ų84.640%0.39847%0.467SS..  trans-69.9128.2172.2-69.9-72.7000109.5N384 I400 D406N384-H402 PolarHBondContact ND2-O 3.18Å; I400-H402 PolarHBondContact O-CD2 2.98Å; I400-H402 PolarHBondContact O-N 3.43Å; H402-D406 HydrophobicContact CB-CB 4.29Å
403S63.6Low54.8Low17 Ų1788.3 Ų88.312%0.11948%0.477CS..  trans-54148.7172.5-173.80000110N381 Q401 L405 D406N381-S403 WeakPolarHBondContact OD1-CB 3.21Å; N381-S403 PolarHBondContact OD1-OG 2.66Å; Q401-S403 PolarHBondContact O-N 3.19Å; S403-L405 PolarHBondContact O-N 3.31Å; S403-D406 WeakPolarHBondContact O-CB 3.29Å; S403-D406 PolarHBondContact O-N 3.44Å
404I68.6Low56.8Low13 Ų1380.1 Ų80.17%0.06746%0.459CS..G310 helixtrans-52-35.8179.3-65.3174.2000110.8L380 N384 D406 K407 L419L380-I404 WeakPolarHBondContact O-CD1 3.45Å; N384-I404 HydrophobicContact CB-CD1 3.82Å; N384-I404 HydrophobicContact CB-CG1 3.61Å; I404-D406 VanDerWaalsContact C-N 3.3Å; I404-D406 PolarHBondContact O-N 3.3Å; I404-K407 WeakPolarHBondContact O-CB 3.36Å; I404-K407 PolarHBondContact O-N 2.95Å; I404-L419 HydrophobicContact CG2-CD1 3.4Å
405L71.5Confident59.1Low0 Ų077.2 Ų77.20%044%0.442CS..G310 helixtrans-72.2-16.6-178.4-60.9179.6000114.4L377 L380 S403 T464 V465 L466 F499L377-L405 HydrophobicContact CD2-CD1 3.67Å; L380-L405 HydrophobicContact CD1-CD1 3.96Å; L380-L405 HydrophobicContact CD1-CD2 4.47Å; L380-L405 HydrophobicContact CD1-CG 4.2Å; S403-L405 PolarHBondContact O-N 3.31Å; L405-T464 WeakPolarHBondContact O-CB 2.86Å; L405-V465 HydrophobicContact CD2-CG1 3.94Å; L405-V465 PolarHBondContact O-N 3.32Å; L405-L466 PolarHBondContact O-N 3.42Å; L405-F499 HydrophobicContact CD1-CE1 4.31Å; L405-F499 HydrophobicContact CD1-CZ 4.3Å
406D70.1Confident61.3Low42 Ų4275.2 Ų75.223%0.22542%0.419CS..G310 helixtrans-84.8-13.9175.4-75.6-54.1000113H402 S403 I404 R503H402-D406 HydrophobicContact CB-CB 4.29Å; S403-D406 WeakPolarHBondContact O-CB 3.29Å; S403-D406 PolarHBondContact O-N 3.44Å; I404-D406 VanDerWaalsContact C-N 3.3Å; I404-D406 PolarHBondContact O-N 3.3Å; D406-R503 IonicContact OD1-CZ 3.34Å; D406-R503 IonicContact OD1-NH1 2.84Å; D406-R503 IonicContact OD1-NH2 3.03Å; D406-R503 PolarHBondContact OD1-NH2 3.03Å; D406-R503 IonicContact OD2-NH2 2.86Å; D406-R503 PolarHBondContact OD2-NH2 3.11Å
407K71.3Confident63.6Low81 Ų8173.8 Ų73.835%0.35240%0.402SS..SBendtrans-68.9150.3-179.9-63178.9-172.3170.40109.9N384 I404 V465N384-K407 PolarHBondContact OD1-NZ 3.18Å; I404-K407 WeakPolarHBondContact O-CB 3.36Å; I404-K407 PolarHBondContact O-N 2.95Å; K407-V465 WeakPolarHBondContact O-CG2 3.4Å; K407-V465 PolarHBondContact O-N 3.16Å; K407-V465 VanDerWaalsContact O-N 3.08Å
408P67.8Low66.1Low104 Ų10472.4 Ų72.468%0.67540%0.399SS*.PPolyproline II helixtrans-61.1145.5169.726.7-33.9000109.6
409P69.9Low68.3Low23 Ų2368.8 Ų68.815%0.14937%0.373CS..PPolyproline II helixtrans-62135.2-179.124.6-33.4000110.6I463P409-I463 WeakPolarHBondContact CD-O 3.37Å; P409-I463 HydrophobicContact CG-CG2 4.37Å
410P68.8Low70.6Confident33 Ų3362.6 Ų62.621%0.21435%0.347CS..PPolyproline II helixtrans-62.8143.4177.519.3-24.7000111A415 V416 L419 L451P410-A415 HydrophobicContact CB-CB 3.72Å; P410-A415 HydrophobicContact CG-CB 4.32Å; P410-V416 HydrophobicContact CB-CG2 4.46Å; P410-V416 HydrophobicContact CG-CG2 3.92Å; P410-L419 HydrophobicContact CG-CD2 4.05Å; P410-L451 WeakPolarHBondContact O-CD1 3.41Å
411T68.7Low72.6Confident117 Ų11766.7 Ų66.772%0.71836%0.359SS*.SBendtrans-83.2-21.8177.451.20000113.1
412N72.8Confident74.3Confident100 Ų10063 Ų6354%0.53534%0.344SS..SBendtrans-93.8131.9-172.2-59.6-6.6000110.3S414 A415 V416N412-S414 VanDerWaalsContact C-N 3.3Å; N412-S414 PolarHBondContact O-N 3.44Å; N412-A415 HydrophobicContact CB-CB 4.13Å; N412-A415 PolarHBondContact O-N 2.84Å; N412-V416 WeakPolarHBondContact O-CG2 3.33Å; N412-V416 PolarHBondContact O-N 3.4Å
413E77.6Confident75.9Confident147 Ų14759 Ų5969%0.68733%0.325SS*.Hα-helixtrans-58.1-39.8-179-168.6171.6-167.500112.7A415 V416 Q417E413-A415 VanDerWaalsContact C-N 3.34Å; E413-A415 PolarHBondContact O-N 2.97Å; E413-V416 WeakPolarHBondContact O-CB 3.35Å; E413-V416 PolarHBondContact O-N 2.74Å; E413-Q417 WeakPolarHBondContact O-CG 3.48Å; E413-Q417 PolarHBondContact O-N 3.47Å
414S77.7Confident77.1Confident85 Ų8559.2 Ų59.259%0.59433%0.326SS*.Hα-helixtrans-64.4-36.3175.957.90000113.3N412 V416 Q417 A418N412-S414 VanDerWaalsContact C-N 3.3Å; N412-S414 PolarHBondContact O-N 3.44Å; S414-V416 VanDerWaalsContact C-N 3.34Å; S414-Q417 PolarHBondContact O-N 3.2Å; S414-A418 WeakPolarHBondContact O-CB 3.15Å; S414-A418 PolarHBondContact O-N 3.08Å
415A79.6Confident78.1Confident38 Ų3863 Ų6331%0.31434%0.343SS..Hα-helixtrans-73.2-29.7176.600000111.7P410 N412 E413 L419P410-A415 HydrophobicContact CB-CB 3.72Å; P410-A415 HydrophobicContact CG-CB 4.32Å; N412-A415 HydrophobicContact CB-CB 4.13Å; N412-A415 PolarHBondContact O-N 2.84Å; E413-A415 VanDerWaalsContact C-N 3.34Å; E413-A415 PolarHBondContact O-N 2.97Å; A415-L419 VanDerWaalsContact O-CB 3.27Å; A415-L419 WeakPolarHBondContact O-CB 3.41Å; A415-L419 PolarHBondContact O-N 3.22Å
416V79.6Confident78.9Confident10 Ų1063.3 Ų63.36%0.06135%0.346CS..Hα-helixtrans-67.8-46.9171.2178.90000110.6P410 N412 E413 S414 A418 L419 E420 I449 L451P410-V416 HydrophobicContact CB-CG2 4.46Å; P410-V416 HydrophobicContact CG-CG2 3.92Å; N412-V416 WeakPolarHBondContact O-CG2 3.33Å; N412-V416 PolarHBondContact O-N 3.4Å; E413-V416 WeakPolarHBondContact O-CB 3.35Å; E413-V416 PolarHBondContact O-N 2.74Å; S414-V416 VanDerWaalsContact C-N 3.34Å; V416-A418 PolarHBondContact O-N 3.44Å; V416-L419 CarbonylContact O-C 3.28Å; V416-L419 PolarHBondContact O-N 3.49Å; V416-E420 HydrophobicContact CG1-CG 4.37Å; V416-E420 WeakPolarHBondContact O-CG 3.37Å; V416-E420 PolarHBondContact O-N 3.31Å; V416-I449 HydrophobicContact CG1-CB 3.79Å; V416-I449 HydrophobicContact CG1-CG2 4.09Å; V416-L451 HydrophobicContact CG2-CD1 3.64Å
417Q81.3Confident79.9Confident114 Ų11461.5 Ų61.553%0.53334%0.336SS..Hα-helixtrans-62.6-41.2178.1-71.2176.4-1.100112.4E413 S414 L419 E420 Y421E413-Q417 WeakPolarHBondContact O-CG 3.48Å; E413-Q417 PolarHBondContact O-N 3.47Å; S414-Q417 PolarHBondContact O-N 3.2Å; Q417-L419 VanDerWaalsContact C-N 3.33Å; Q417-E420 PolarHBondContact O-N 3.09Å; Q417-Y421 PolarHBondContact O-N 2.78Å
418A81.7Confident80.8Confident50 Ų5058.8 Ų58.841%0.41333%0.325SS..Hα-helixtrans-61.6-43.1173.700000111.4S414 V416 Y421 D422S414-A418 WeakPolarHBondContact O-CB 3.15Å; S414-A418 PolarHBondContact O-N 3.08Å; V416-A418 PolarHBondContact O-N 3.44Å; A418-Y421 WeakPolarHBondContact O-CB 3.27Å; A418-Y421 PolarHBondContact O-N 3.13Å; A418-D422 VanDerWaalsContact O-CG 3.24Å; A418-D422 PolarHBondContact O-N 3.42Å
419L82.5Confident81.9Confident18 Ų1854.8 Ų54.89%0.09430%0.301CS..Hα-helixtrans-67.1-37.9177.1-179.261.2000112.7I404 P410 A415 V416 Q417 Y421 D422 V423 I449 V465I404-L419 HydrophobicContact CG2-CD1 3.4Å; P410-L419 HydrophobicContact CG-CD2 4.05Å; A415-L419 VanDerWaalsContact O-CB 3.27Å; A415-L419 WeakPolarHBondContact O-CB 3.41Å; A415-L419 PolarHBondContact O-N 3.22Å; V416-L419 CarbonylContact O-C 3.28Å; V416-L419 PolarHBondContact O-N 3.49Å; Q417-L419 VanDerWaalsContact C-N 3.33Å; L419-Y421 VanDerWaalsContact C-N 3.3Å; L419-D422 PolarHBondContact O-N 3.21Å; L419-V423 HydrophobicContact CD1-CG2 4.22Å; L419-V423 HydrophobicContact CG-CG2 4.48Å; L419-V423 VanDerWaalsContact O-CB 3.3Å; L419-V423 WeakPolarHBondContact O-CB 3.4Å; L419-V423 WeakPolarHBondContact O-CG2 3.49Å; L419-V423 PolarHBondContact O-N 3.22Å; L419-I449 HydrophobicContact CB-CD1 4.16Å; L419-I449 HydrophobicContact CD2-CD1 3.61Å; L419-I449 HydrophobicContact CG-CD1 3.59Å; L419-V465 HydrophobicContact CD2-CG1 3.86Å; L419-V465 HydrophobicContact CD2-CG2 3.85Å
420E84.9Confident82.9Confident36 Ų3653.7 Ų53.717%0.16829%0.294CS..Hα-helixtrans-61.5-40.7172.7-75.6179.6173.900111.3V416 Q417 T424 S448 I449V416-E420 HydrophobicContact CG1-CG 4.37Å; V416-E420 WeakPolarHBondContact O-CG 3.37Å; V416-E420 PolarHBondContact O-N 3.31Å; Q417-E420 PolarHBondContact O-N 3.09Å; E420-T424 WeakPolarHBondContact O-CB 3.33Å; E420-T424 PolarHBondContact O-N 2.89Å; E420-T424 PolarHBondContact O-OG1 3.11Å; E420-S448 WeakPolarHBondContact OE1-CA 3.34Å; E420-I449 HydrophobicContact CG-CB 4.21Å; E420-I449 HydrophobicContact CG-CD1 3.91Å; E420-I449 HydrophobicContact CG-CG1 3.88Å; E420-I449 PolarHBondContact OE1-N 3.29Å
421Y85.2Confident83.9Confident152 Ų15252.1 Ų52.160%0.59628%0.284SS*.Hα-helixtrans-63.8-50.9175.1-179.7-94.6000111.4Q417 A418 L419 V423 T424 E425Q417-Y421 PolarHBondContact O-N 2.78Å; A418-Y421 WeakPolarHBondContact O-CB 3.27Å; A418-Y421 PolarHBondContact O-N 3.13Å; L419-Y421 VanDerWaalsContact C-N 3.3Å; Y421-V423 VanDerWaalsContact C-N 3.27Å; Y421-V423 PolarHBondContact O-N 2.72Å; Y421-T424 PolarHBondContact O-N 3.44Å; Y421-T424 VanDerWaalsContact O-N 3.13Å; Y421-E425 WeakPolarHBondContact CE1-OE2 3.17Å; Y421-E425 WeakPolarHBondContact O-CB 3.44Å; Y421-E425 PolarHBondContact O-N 2.93Å
422D83.8Confident85Confident58 Ų5852.9 Ų52.931%0.3127%0.274SS..Hα-helixtrans-59.2-40179.1-66.3-19.3000111.8A418 L419 A426A418-D422 VanDerWaalsContact O-CG 3.24Å; A418-D422 PolarHBondContact O-N 3.42Å; L419-D422 PolarHBondContact O-N 3.21Å; D422-A426 VanDerWaalsContact O-CB 3.32Å; D422-A426 WeakPolarHBondContact O-CB 3.41Å; D422-A426 PolarHBondContact O-N 3.19Å
423V87Confident85.8Confident0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-66.5-44.3176.6167.20000111.2F376 L380 L419 Y421 A426 F427 F447 L469F376-V423 HydrophobicContact CE2-CG1 4.17Å; F376-V423 WeakPolarHBondContact CE2-O 3.33Å; F376-V423 HydrophobicContact CZ-CG1 3.88Å; L380-V423 HydrophobicContact CD2-CG2 4.11Å; L419-V423 HydrophobicContact CD1-CG2 4.22Å; L419-V423 HydrophobicContact CG-CG2 4.48Å; L419-V423 VanDerWaalsContact O-CB 3.3Å; L419-V423 WeakPolarHBondContact O-CB 3.4Å; L419-V423 WeakPolarHBondContact O-CG2 3.49Å; L419-V423 PolarHBondContact O-N 3.22Å; Y421-V423 VanDerWaalsContact C-N 3.27Å; Y421-V423 PolarHBondContact O-N 2.72Å; V423-A426 PolarHBondContact O-N 3.25Å; V423-F427 WeakPolarHBondContact O-CB 3.35Å; V423-F427 PolarHBondContact O-N 3.47Å; V423-F447 HydrophobicContact CG1-CB 3.92Å; V423-F447 HydrophobicContact CG1-CD1 3.99Å; V423-F447 HydrophobicContact CG1-CD2 3.95Å; V423-F447 HydrophobicContact CG1-CE2 4.49Å; V423-F447 HydrophobicContact CG1-CG 3.66Å; V423-L469 HydrophobicContact CG1-CD1 4.16Å
424T88.3Confident86.4Confident23 Ų2347.7 Ų47.714%0.14126%0.256CS..Hα-helixtrans-65.9-44.1178.5-53.80000110.5E420 Y421 A426 F427 L428E420-T424 WeakPolarHBondContact O-CB 3.33Å; E420-T424 PolarHBondContact O-N 2.89Å; E420-T424 PolarHBondContact O-OG1 3.11Å; Y421-T424 PolarHBondContact O-N 3.44Å; Y421-T424 VanDerWaalsContact O-N 3.13Å; T424-A426 PolarHBondContact O-N 3.05Å; T424-F427 WeakPolarHBondContact O-CB 3.43Å; T424-F427 PolarHBondContact O-N 3.24Å; T424-F427 VanDerWaalsContact O-N 3.17Å; T424-L428 HydrophobicContact CG2-CD1 4.25Å; T424-L428 HydrophobicContact CG2-CG 4.46Å; T424-L428 WeakPolarHBondContact O-CG 3.21Å; T424-L428 PolarHBondContact O-N 3.32Å
425E89.5Confident86.8Confident91 Ų9147 Ų4743%0.42526%0.262SS..Hα-helixtrans-61.4-43.5176.7-173.5-179.8179.900111.9Y421 F427 L428 A429Y421-E425 WeakPolarHBondContact CE1-OE2 3.17Å; Y421-E425 WeakPolarHBondContact O-CB 3.44Å; Y421-E425 PolarHBondContact O-N 2.93Å; E425-F427 VanDerWaalsContact C-N 3.3Å; E425-F427 PolarHBondContact O-N 3.27Å; E425-L428 PolarHBondContact O-N 2.87Å; E425-A429 VanDerWaalsContact O-CB 3.32Å; E425-A429 WeakPolarHBondContact O-CB 3.4Å; E425-A429 PolarHBondContact O-N 3.32Å
426A88.2Confident87.2Confident7 Ų746.5 Ų46.56%0.05825%0.254CS..Hα-helixtrans-63.3-37.1176.200000112.2F376 H379 L380 D422 V423 T424 A430F376-A426 HydrophobicContact CD2-CB 4.18Å; F376-A426 HydrophobicContact CE2-CB 4.13Å; H379-A426 HydrophobicContact CB-CB 4.21Å; L380-A426 HydrophobicContact CD2-CB 3.59Å; L380-A426 HydrophobicContact CG-CB 3.78Å; D422-A426 VanDerWaalsContact O-CB 3.32Å; D422-A426 WeakPolarHBondContact O-CB 3.41Å; D422-A426 PolarHBondContact O-N 3.19Å; V423-A426 PolarHBondContact O-N 3.25Å; T424-A426 PolarHBondContact O-N 3.05Å; A426-A430 WeakPolarHBondContact O-CB 3.33Å; A426-A430 PolarHBondContact O-N 3.18Å
427F90.7Very high87.5Confident4 Ų450.1 Ų50.12%0.01827%0.273CS..Hα-helixtrans-66.6-45175.5176-104.8000111.9V364 L372 F373 F376 V423 T424 E425 A430 A431 L441 F447V364-F427 HydrophobicContact CG1-CE2 4.35Å; V364-F427 HydrophobicContact CG1-CZ 3.86Å; L372-F427 HydrophobicContact CD1-CE2 4.42Å; L372-F427 HydrophobicContact CD2-CE2 3.69Å; L372-F427 HydrophobicContact CD2-CZ 4.02Å; L372-F427 HydrophobicContact CG-CE2 4.06Å; F373-F427 HydrophobicContact CZ-CE2 4.36Å; F376-F427 HydrophobicContact CD2-CB 3.81Å; F376-F427 HydrophobicContact CD2-CD2 4.41Å; F376-F427 HydrophobicContact CE2-CB 3.84Å; V423-F427 WeakPolarHBondContact O-CB 3.35Å; V423-F427 PolarHBondContact O-N 3.47Å; T424-F427 WeakPolarHBondContact O-CB 3.43Å; T424-F427 PolarHBondContact O-N 3.24Å; T424-F427 VanDerWaalsContact O-N 3.17Å; E425-F427 VanDerWaalsContact C-N 3.3Å; E425-F427 PolarHBondContact O-N 3.27Å; F427-A430 WeakPolarHBondContact O-CB 3.44Å; F427-A430 PolarHBondContact O-N 2.9Å; F427-A431 PolarHBondContact O-N 3.23Å; F427-L441 HydrophobicContact CE1-CB 4.25Å; F427-L441 HydrophobicContact CE1-CD1 4.25Å; F427-L441 HydrophobicContact CZ-CD1 4.43Å; F427-F447 HydrophobicContact CB-CD2 4.43Å; F427-F447 HydrophobicContact CB-CE2 3.66Å; F427-F447 HydrophobicContact CB-CZ 4.38Å; F427-F447 AromaticContact CD1-CE2 3.84Å; F427-F447 HydrophobicContact CD1-CE2 3.84Å; F427-F447 AromaticContact CD2-CE2 3.86Å; F427-F447 HydrophobicContact CD2-CE2 3.86Å; F427-F447 AromaticContact CD2-CZ 3.97Å; F427-F447 HydrophobicContact CD2-CZ 3.97Å; F427-F447 HydrophobicContact CE1-CE2 4.44Å; F427-F447 HydrophobicContact CE2-CE2 4.45Å; F427-F447 HydrophobicContact CE2-CZ 4.42Å; F427-F447 AromaticContact CG-CE2 3.51Å; F427-F447 HydrophobicContact CG-CE2 3.51Å; F427-F447 HydrophobicContact CG-CZ 4.11Å
428L91.7Very high87.8Confident24 Ų2446.7 Ų46.713%0.12626%0.258CS..Hα-helixtrans-67.3-36.4176.8-63.2178.2000111.8T424 E425 A430 A431 R432 D438 L441 D442T424-L428 HydrophobicContact CG2-CD1 4.25Å; T424-L428 HydrophobicContact CG2-CG 4.46Å; T424-L428 WeakPolarHBondContact O-CG 3.21Å; T424-L428 PolarHBondContact O-N 3.32Å; E425-L428 PolarHBondContact O-N 2.87Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.08Å; L428-A431 WeakPolarHBondContact O-CB 3.39Å; L428-A431 PolarHBondContact O-N 2.59Å; L428-R432 WeakPolarHBondContact O-CG 3.48Å; L428-R432 PolarHBondContact O-N 2.92Å; L428-D438 HydrophobicContact CB-CB 4.42Å; L428-D438 HydrophobicContact CD2-CB 4.22Å; L428-D438 WeakPolarHBondContact CD2-O 3.22Å; L428-L441 HydrophobicContact CD2-CB 4.18Å; L428-D442 HydrophobicContact CD1-CB 4.07Å; L428-D442 HydrophobicContact CD2-CB 4.05Å
429A90.1Very high88.1Confident21 Ų2151.7 Ų51.717%0.17427%0.273CS..Hα-helixtrans-61.7-42.2172.500000111.9E425 R432 S433E425-A429 VanDerWaalsContact O-CB 3.32Å; E425-A429 WeakPolarHBondContact O-CB 3.4Å; E425-A429 PolarHBondContact O-N 3.32Å; A429-R432 PolarHBondContact O-N 3.44Å; A429-S433 PolarHBondContact O-N 2.82Å
430A90.4Very high88.3Confident0 Ų055 Ų550%029%0.288CS..Hα-helixtrans-63.4-43.117400000112.1L372 A375 F376 A426 F427 L428 R432 S433 L434L372-A430 HydrophobicContact CD1-CB 4.32Å; A375-A430 HydrophobicContact CB-CB 3.81Å; F376-A430 HydrophobicContact CB-CB 3.94Å; F376-A430 VanDerWaalsContact N-CB 3.29Å; A426-A430 WeakPolarHBondContact O-CB 3.33Å; A426-A430 PolarHBondContact O-N 3.18Å; F427-A430 WeakPolarHBondContact O-CB 3.44Å; F427-A430 PolarHBondContact O-N 2.9Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.08Å; A430-R432 PolarHBondContact O-N 2.89Å; A430-S433 PolarHBondContact O-N 3.21Å; A430-S433 PolarHBondContact O-OG 2.92Å; A430-L434 PolarHBondContact O-N 2.76Å
431A91.3Very high88.4Confident0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-57.9-47.8174.700000112L372 F427 L428 S433 L434 G435 M436 L441L372-A431 HydrophobicContact CD1-CB 4.22Å; F427-A431 PolarHBondContact O-N 3.23Å; L428-A431 WeakPolarHBondContact O-CB 3.39Å; L428-A431 PolarHBondContact O-N 2.59Å; A431-S433 VanDerWaalsContact C-N 3.31Å; A431-S433 PolarHBondContact O-N 3.23Å; A431-L434 CarbonylContact O-C 3.57Å; A431-L434 PolarHBondContact O-N 3.38Å; A431-L434 VanDerWaalsContact O-N 3.1Å; A431-G435 PolarHBondContact O-N 3.28Å; A431-M436 HydrophobicContact CB-CB 4.06Å; A431-M436 PolarHBondContact O-N 3.29Å; A431-L441 HydrophobicContact CB-CD1 3.38Å
432R91.5Very high88.5Confident133 Ų13350.3 Ų50.350%0.50227%0.274SS..Hα-helixtrans-58.5-41.1175.1-74.9-169-72.8-117.75.7112.6L428 A429 A430 L434 G435 D438L428-R432 WeakPolarHBondContact O-CG 3.48Å; L428-R432 PolarHBondContact O-N 2.92Å; A429-R432 PolarHBondContact O-N 3.44Å; A430-R432 PolarHBondContact O-N 2.89Å; R432-L434 PolarHBondContact O-N 2.95Å; R432-G435 PolarHBondContact O-N 3.17Å; R432-G435 VanDerWaalsContact O-N 3.12Å; R432-D438 VanDerWaalsContact CD-OD2 3.22Å; R432-D438 WeakPolarHBondContact CD-OD2 3.47Å; R432-D438 HydrophobicContact CG-CB 3.96Å; R432-D438 WeakPolarHBondContact CG-OD2 3.33Å; R432-D438 IonicContact CZ-OD2 2.59Å; R432-D438 IonicContact NE-OD2 2.59Å; R432-D438 IonicContact NH1-OD2 2.97Å; R432-D438 PolarHBondContact NH1-OD2 2.99Å
433S89.8Confident88.6Confident71 Ų7150.8 Ų50.850%0.49728%0.282SS..Hα-helixtrans-62.8-26.417979.30000113.1A429 A430 A431A429-S433 PolarHBondContact O-N 2.82Å; A430-S433 PolarHBondContact O-N 3.21Å; A430-S433 PolarHBondContact O-OG 2.92Å; A431-S433 VanDerWaalsContact C-N 3.31Å; A431-S433 PolarHBondContact O-N 3.23Å
434L89.1Confident88.6Confident67 Ų6751.2 Ų51.235%0.35128%0.284SS..THydrogen-bonded Turntrans-99.76.1178.9-64173.6000113.3E371 L372 A375 A430 A431 R432 M436E371-L434 HydrophobicContact CB-CD1 4.3Å; E371-L434 HydrophobicContact CB-CD2 4.39Å; L372-L434 HydrophobicContact CB-CD1 3.95Å; L372-L434 HydrophobicContact CD1-CD1 4Å; A375-L434 HydrophobicContact CB-CD1 4.46Å; A430-L434 PolarHBondContact O-N 2.76Å; A431-L434 CarbonylContact O-C 3.57Å; A431-L434 PolarHBondContact O-N 3.38Å; A431-L434 VanDerWaalsContact O-N 3.1Å; R432-L434 PolarHBondContact O-N 2.95Å; L434-M436 VanDerWaalsContact C-N 3.31Å; L434-M436 PolarHBondContact O-N 2.87Å
435G87.5Confident88.7Confident71 Ų7150.3 Ų50.373%0.73228%0.279SS*.THydrogen-bonded Turntrans67.427.9-179.600000114.1A431 R432A431-G435 PolarHBondContact O-N 3.28Å; R432-G435 PolarHBondContact O-N 3.17Å; R432-G435 VanDerWaalsContact O-N 3.12Å
436M86.8Confident88.6Confident26 Ų2651.3 Ų51.313%0.12828%0.282CS..  trans-83.8154168.8-62.2-173.468.500110.3L372 A431 L434 D438 L441L372-M436 HydrophobicContact CD1-SD 4.06Å; L372-M436 HydrophobicContact CD2-SD 4.15Å; A431-M436 HydrophobicContact CB-CB 4.06Å; A431-M436 PolarHBondContact O-N 3.29Å; L434-M436 VanDerWaalsContact C-N 3.31Å; L434-M436 PolarHBondContact O-N 2.87Å; M436-D438 PolarHBondContact O-N 3.45Å; M436-L441 HydrophobicContact CB-CD1 4.11Å; M436-L441 HydrophobicContact CE-CD1 4.05Å; M436-L441 HydrophobicContact CE-CD2 4.22Å; M436-L441 HydrophobicContact SD-CD1 4.48Å
437D87.1Confident88.6Confident86 Ų8651.1 Ų51.146%0.4628%0.279SS..  trans-73.4109.4175-169.9-30.7000109.4E439 E440 L441D437-E439 PolarHBondContact OD1-N 2.96Å; D437-E439 VanDerWaalsContact OD1-N 3.11Å; D437-E440 HydrophobicContact CB-CB 3.86Å; D437-E440 PolarHBondContact OD1-N 2.99Å; D437-L441 WeakPolarHBondContact O-CG 3.38Å; D437-L441 PolarHBondContact O-N 2.94Å
438D86.6Confident88.2Confident42 Ų4252.1 Ų52.123%0.22529%0.287CS..Hα-helixtrans-73.9-30.7-177.658.4-24.7000112.3L428 R432 M436 L441 D442L428-D438 HydrophobicContact CB-CB 4.42Å; L428-D438 HydrophobicContact CD2-CB 4.22Å; L428-D438 WeakPolarHBondContact CD2-O 3.22Å; R432-D438 VanDerWaalsContact CD-OD2 3.22Å; R432-D438 WeakPolarHBondContact CD-OD2 3.47Å; R432-D438 HydrophobicContact CG-CB 3.96Å; R432-D438 WeakPolarHBondContact CG-OD2 3.33Å; R432-D438 IonicContact CZ-OD2 2.59Å; R432-D438 IonicContact NE-OD2 2.59Å; R432-D438 IonicContact NH1-OD2 2.97Å; R432-D438 PolarHBondContact NH1-OD2 2.99Å; M436-D438 PolarHBondContact O-N 3.45Å; D438-L441 PolarHBondContact O-N 2.89Å; D438-D442 WeakPolarHBondContact O-CB 3.29Å; D438-D442 PolarHBondContact O-N 3.08Å
439E87.3Confident87.7Confident156 Ų15651.4 Ų51.473%0.72928%0.283SS*.Hα-helixtrans-68.6-42.1174.8-61-172.1172.900111.2D437 L441 D442 S443D437-E439 PolarHBondContact OD1-N 2.96Å; D437-E439 VanDerWaalsContact OD1-N 3.11Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 3.27Å; E439-D442 PolarHBondContact O-N 3.43Å; E439-S443 WeakPolarHBondContact O-CB 3.26Å; E439-S443 PolarHBondContact O-N 3.1Å; E439-S443 VanDerWaalsContact O-N 3.08Å; E439-S443 PolarHBondContact O-OG 2.95Å
440E87.3Confident86.9Confident86 Ų8656 Ų5640%0.40230%0.299SS..Hα-helixtrans-61.7-41.3174.9-174.3178.2-162.400111.3L360 D437 S443 N444L360-E440 VanDerWaalsContact CD1-CD 3.43Å; L360-E440 HydrophobicContact CD1-CG 4.03Å; L360-E440 WeakPolarHBondContact CD1-OE1 3.46Å; D437-E440 HydrophobicContact CB-CB 3.86Å; D437-E440 PolarHBondContact OD1-N 2.99Å; E440-S443 PolarHBondContact O-OG 2.68Å; E440-N444 WeakPolarHBondContact CG-ND2 3Å; E440-N444 WeakPolarHBondContact O-CB 3.36Å; E440-N444 VanDerWaalsContact O-CG 3.3Å; E440-N444 PolarHBondContact O-N 2.66Å; E440-N444 PolarHBondContact O-ND2 3.22Å
441L86.5Confident85.6Confident2 Ų260.6 Ų60.61%0.0132%0.323CS..Hα-helixtrans-70.7-41.6179.8-71.3175.1000113L360 V364 F427 L428 A431 M436 D437 D438 E439 S443 N444 F445L360-L441 HydrophobicContact CD2-CD2 4.19Å; V364-L441 HydrophobicContact CG2-CD2 3.86Å; F427-L441 HydrophobicContact CE1-CB 4.25Å; F427-L441 HydrophobicContact CE1-CD1 4.25Å; F427-L441 HydrophobicContact CZ-CD1 4.43Å; L428-L441 HydrophobicContact CD2-CB 4.18Å; A431-L441 HydrophobicContact CB-CD1 3.38Å; M436-L441 HydrophobicContact CB-CD1 4.11Å; M436-L441 HydrophobicContact CE-CD1 4.05Å; M436-L441 HydrophobicContact CE-CD2 4.22Å; M436-L441 HydrophobicContact SD-CD1 4.48Å; D437-L441 WeakPolarHBondContact O-CG 3.38Å; D437-L441 PolarHBondContact O-N 2.94Å; D438-L441 PolarHBondContact O-N 2.89Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 3.27Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 2.83Å; L441-N444 PolarHBondContact O-N 2.73Å; L441-F445 HydrophobicContact CD2-CD2 3.79Å; L441-F445 HydrophobicContact CD2-CE2 3.65Å; L441-F445 PolarHBondContact O-N 3.37Å
442D88.1Confident83.8Confident88 Ų8863.1 Ų63.147%0.47134%0.344SS..Hα-helixtrans-64.6-36.9178.4-167.744.9000111.6L428 D438 E439 N444L428-D442 HydrophobicContact CD1-CB 4.07Å; L428-D442 HydrophobicContact CD2-CB 4.05Å; D438-D442 WeakPolarHBondContact O-CB 3.29Å; D438-D442 PolarHBondContact O-N 3.08Å; E439-D442 PolarHBondContact O-N 3.43Å; D442-N444 VanDerWaalsContact C-N 3.34Å; D442-N444 PolarHBondContact O-N 3.39Å
443S86.2Confident81.5Confident68 Ų6861.2 Ų61.248%0.47636%0.356SS..Hα-helixtrans-69.4-30176.769.80000113.6E439 E440 L441E439-S443 WeakPolarHBondContact O-CB 3.26Å; E439-S443 PolarHBondContact O-N 3.1Å; E439-S443 VanDerWaalsContact O-N 3.08Å; E439-S443 PolarHBondContact O-OG 2.95Å; E440-S443 PolarHBondContact O-OG 2.68Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 2.83Å
444N87.3Confident79Confident9 Ų962.9 Ų62.95%0.04837%0.374CS..Hα-helixtrans-101.9-19.9-171.8-71.1-44.4000114.1Y357 E440 L441 D442 I474 P476Y357-N444 HydrophobicContact CE2-CB 4.29Å; E440-N444 WeakPolarHBondContact CG-ND2 3Å; E440-N444 WeakPolarHBondContact O-CB 3.36Å; E440-N444 VanDerWaalsContact O-CG 3.3Å; E440-N444 PolarHBondContact O-N 2.66Å; E440-N444 PolarHBondContact O-ND2 3.22Å; L441-N444 PolarHBondContact O-N 2.73Å; D442-N444 VanDerWaalsContact C-N 3.34Å; D442-N444 PolarHBondContact O-N 3.39Å; N444-I474 PolarHBondContact O-N 3.29Å; N444-P476 WeakPolarHBondContact OD1-CD 3.32Å; N444-P476 WeakPolarHBondContact OD1-CG 2.95Å
445F90.3Very high76.4Confident5 Ų568.7 Ų68.72%0.02240%0.4CS..EExtended strand (participates in β ladder)trans-137.1142.8-175.8-54.9-63.1000113L360 V361 V364 L365 L441 L471 C472 I473L360-F445 HydrophobicContact CD2-CD2 4.42Å; L360-F445 HydrophobicContact CD2-CE2 3.16Å; L360-F445 HydrophobicContact CD2-CZ 3.26Å; L360-F445 HydrophobicContact CG-CE2 4.49Å; V361-F445 HydrophobicContact CG2-CE1 4.27Å; V361-F445 HydrophobicContact CG2-CZ 4.24Å; V364-F445 HydrophobicContact CB-CE2 3.96Å; V364-F445 HydrophobicContact CB-CZ 4.09Å; V364-F445 HydrophobicContact CG1-CD2 4.11Å; V364-F445 HydrophobicContact CG1-CE2 4.01Å; V364-F445 HydrophobicContact CG1-CG 4.4Å; V364-F445 HydrophobicContact CG1-CZ 4.31Å; V364-F445 HydrophobicContact CG2-CD2 4.41Å; V364-F445 HydrophobicContact CG2-CE2 3.76Å; V364-F445 HydrophobicContact CG2-CZ 4.29Å; L365-F445 HydrophobicContact CD1-CD1 3.61Å; L365-F445 HydrophobicContact CD1-CE1 3.18Å; L365-F445 HydrophobicContact CD1-CZ 3.92Å; L441-F445 HydrophobicContact CD2-CD2 3.79Å; L441-F445 HydrophobicContact CD2-CE2 3.65Å; L441-F445 PolarHBondContact O-N 3.37Å; F445-L471 HydrophobicContact CB-CD1 4.03Å; F445-C472 WeakPolarHBondContact CA-O 3.36Å; F445-I473 HydrophobicContact CD1-CG1 4.42Å; F445-I473 HydrophobicContact CE1-CG1 4.25Å
446K87.8Confident74Confident112 Ų11270.1 Ų70.149%0.48740%0.399SS..EExtended strand (participates in β ladder)trans-138.7131.7174.9179.2171.2-179.3175.40111.4C472 I474K446-C472 PolarHBondContact N-O 3.23Å; K446-C472 PolarHBondContact O-N 3.15Å; K446-I474 HydrophobicContact CB-CD1 3.66Å; K446-I474 HydrophobicContact CB-CG1 4.28Å; K446-I474 HydrophobicContact CD-CD1 4.37Å
447F87Confident71.5Confident3 Ų375.8 Ų75.81%0.01343%0.43CS..EExtended strand (participates in β ladder)trans-76.6136.2168-71.8-82.2000110.1F376 V423 F427 L469 H470 L471 F495F376-F447 HydrophobicContact CZ-CZ 4.4Å; V423-F447 HydrophobicContact CG1-CB 3.92Å; V423-F447 HydrophobicContact CG1-CD1 3.99Å; V423-F447 HydrophobicContact CG1-CD2 3.95Å; V423-F447 HydrophobicContact CG1-CE2 4.49Å; V423-F447 HydrophobicContact CG1-CG 3.66Å; F427-F447 HydrophobicContact CB-CD2 4.43Å; F427-F447 HydrophobicContact CB-CE2 3.66Å; F427-F447 HydrophobicContact CB-CZ 4.38Å; F427-F447 AromaticContact CD1-CE2 3.84Å; F427-F447 HydrophobicContact CD1-CE2 3.84Å; F427-F447 AromaticContact CD2-CE2 3.86Å; F427-F447 HydrophobicContact CD2-CE2 3.86Å; F427-F447 AromaticContact CD2-CZ 3.97Å; F427-F447 HydrophobicContact CD2-CZ 3.97Å; F427-F447 HydrophobicContact CE1-CE2 4.44Å; F427-F447 HydrophobicContact CE2-CE2 4.45Å; F427-F447 HydrophobicContact CE2-CZ 4.42Å; F427-F447 AromaticContact CG-CE2 3.51Å; F427-F447 HydrophobicContact CG-CE2 3.51Å; F427-F447 HydrophobicContact CG-CZ 4.11Å; F447-L469 HydrophobicContact CB-CD1 4.29Å; F447-L469 HydrophobicContact CD1-CD1 3.76Å; F447-L469 HydrophobicContact CD1-CD2 4.13Å; F447-L469 HydrophobicContact CD1-CG 3.99Å; F447-L469 HydrophobicContact CE1-CD2 4.19Å; F447-L469 HydrophobicContact CE1-CG 4.47Å; F447-L469 HydrophobicContact CG-CD1 4.41Å; F447-H470 WeakPolarHBondContact CA-O 3.36Å; F447-L471 HydrophobicContact CD1-CB 4.42Å; F447-L471 HydrophobicContact CD1-CD1 3.97Å; F447-L471 HydrophobicContact CD2-CD1 4.16Å; F447-L471 HydrophobicContact CE1-CB 4.22Å; F447-L471 HydrophobicContact CE1-CD1 3.78Å; F447-L471 HydrophobicContact CE1-CD2 4.25Å; F447-L471 HydrophobicContact CE1-CG 4.32Å; F447-L471 HydrophobicContact CE2-CD1 3.94Å; F447-L471 HydrophobicContact CG-CD1 4.18Å; F447-L471 HydrophobicContact CZ-CD1 3.77Å; F447-L471 HydrophobicContact CZ-CD2 4.22Å; F447-F495 HydrophobicContact CE1-CZ 4.19Å
448S82.9Confident69.3Low24 Ų2482.3 Ų82.317%0.16845%0.454CS..EExtended strand (participates in β ladder)trans-133.7146.2172.258.60000110.4E420 H470 C472E420-S448 WeakPolarHBondContact OE1-CA 3.34Å; S448-H470 PolarHBondContact N-O 3.17Å; S448-H470 WeakPolarHBondContact O-CB 2.95Å; S448-H470 PolarHBondContact O-N 2.93Å; S448-H470 WeakPolarHBondContact OG-CB 3.39Å; S448-C472 PolarHBondContact OG-SG 3.45Å
449I80.5Confident66.9Low10 Ų1087 Ų875%0.05148%0.478CS..EExtended strand (participates in β ladder)trans-120.8105.5-178.7-60.5172.6000107.5V416 L419 E420 L451 V465 R468 L469V416-I449 HydrophobicContact CG1-CB 3.79Å; V416-I449 HydrophobicContact CG1-CG2 4.09Å; L419-I449 HydrophobicContact CB-CD1 4.16Å; L419-I449 HydrophobicContact CD2-CD1 3.61Å; L419-I449 HydrophobicContact CG-CD1 3.59Å; E420-I449 HydrophobicContact CG-CB 4.21Å; E420-I449 HydrophobicContact CG-CD1 3.91Å; E420-I449 HydrophobicContact CG-CG1 3.88Å; E420-I449 PolarHBondContact OE1-N 3.29Å; I449-L451 PolarHBondContact O-N 2.87Å; I449-V465 HydrophobicContact CD1-CG1 4.37Å; I449-R468 WeakPolarHBondContact CA-O 3.08Å; I449-R468 HydrophobicContact CG2-CB 4.16Å; I449-L469 HydrophobicContact CG1-CD1 4.01Å
450K73.2Confident64.9Low118 Ų11883.7 Ų83.751%0.51347%0.472SS..PPolyproline II helixtrans-78.5122.8-176.1-69-175-174.4167.10111.3R468K450-R468 PolarHBondContact N-O 3.42Å; K450-R468 WeakPolarHBondContact O-CD 3.48Å
451L62.8Low63Low96 Ų9689.1 Ų89.150%0.50350%0.497SS..PPolyproline II helixtrans-72132.1169.3-133.980000110P410 V416 I449 A453P410-L451 WeakPolarHBondContact O-CD1 3.41Å; V416-L451 HydrophobicContact CG2-CD1 3.64Å; I449-L451 PolarHBondContact O-N 2.87Å; L451-A453 PolarHBondContact O-N 3.32Å
452A54.1Low61.5Low53 Ų5394.5 Ų94.544%0.43853%0.526SS..PPolyproline II helixtrans-70.6127.2177.900000111.2
453A42.7Very low60.3Low92 Ų9293.6 Ų93.676%0.7652%0.521SS*.PPolyproline II helixtrans-70.5134.1155.500000108.2L451 Q455L451-A453 PolarHBondContact O-N 3.32Å; A453-Q455 VanDerWaalsContact C-N 3.27Å; A453-Q455 PolarHBondContact O-N 3.2Å
454A37.5Very low59.5Low106 Ų10691.4 Ų91.488%0.87651%0.505SS*.SBendtrans-65.341.2-16000000118.6
455Q35.7Very low58.9Low189 Ų18991.1 Ų91.188%0.88350%0.503SS*.  trans-140.135.8-174.3-66-169.4-7.100117.3A453A453-Q455 VanDerWaalsContact C-N 3.27Å; A453-Q455 PolarHBondContact O-N 3.2Å
456S36.7Very low58Low101 Ų10191.8 Ų91.871%0.70651%0.507SS*.  trans-112.698167.767.50000112.7
457N33.7Very low57.2Low146 Ų14690.1 Ų90.178%0.78150%0.503SS*.  trans17.8116.2151.2-71.6-20.5000118.5L459N457-L459 PolarHBondContact O-N 3.27Å
458K40.1Very low56.8Low222 Ų22292.3 Ų92.397%0.96551%0.512SS*.SBendtrans2.915.1150.8-71.8-175.4175.3-178.60122.7
459L37.4Very low56.9Low142 Ų14291.2 Ų91.274%0.74350%0.504SS*.  trans-99.1111.6174.9-70.6171.1000109.3N457N457-L459 PolarHBondContact O-N 3.27Å
460S44Very low57.1Low86 Ų8691.5 Ų91.560%0.60151%0.505SS*.  trans71.311216056.90000118.6N462S460-N462 PolarHBondContact O-N 2.99Å
461E47.7Very low57.9Low199 Ų19985.9 Ų85.993%0.9348%0.48SS*.SBendtrans-66.47.9177.8-68.6172.7147.900115.2
462N54.8Low59Low116 Ų11683.7 Ų83.762%0.6247%0.472SS*.  trans-126.248.5-173.8-65.6-10.2000112.3S460 T464S460-N462 PolarHBondContact O-N 2.99Å; N462-T464 PolarHBondContact O-N 3.23Å
463I63.7Low60.7Low68 Ų6881.9 Ų81.935%0.34946%0.455SS..  trans-67.7119.2173.9-58.3172.7000108.4P409 D467 R468P409-I463 WeakPolarHBondContact CD-O 3.37Å; P409-I463 HydrophobicContact CG-CG2 4.37Å; I463-D467 HydrophobicContact CG2-CB 4.16Å; I463-R468 HydrophobicContact CG2-CG 4.29Å
464T70.3Confident62.7Low23 Ų2381.2 Ų81.214%0.14144%0.438CS..  trans-98.1164.818062.60000111.6L405 N462 L466 D467L405-T464 WeakPolarHBondContact O-CB 2.86Å; N462-T464 PolarHBondContact O-N 3.23Å; T464-L466 PolarHBondContact O-N 2.97Å; T464-D467 PolarHBondContact N-OD2 2.82Å; T464-D467 PolarHBondContact O-N 2.94Å; T464-D467 VanDerWaalsContact O-N 3.15Å; T464-D467 PolarHBondContact OG1-OD2 2.98Å
465V72.8Confident64.9Low2 Ų277.5 Ų77.51%0.01241%0.408CS..Hα-helixtrans-53.9-37.61721660000111.2L405 K407 L419 I449 D467 R468 L469L405-V465 HydrophobicContact CD2-CG1 3.94Å; L405-V465 PolarHBondContact O-N 3.32Å; K407-V465 WeakPolarHBondContact O-CG2 3.4Å; K407-V465 PolarHBondContact O-N 3.16Å; K407-V465 VanDerWaalsContact O-N 3.08Å; L419-V465 HydrophobicContact CD2-CG1 3.86Å; L419-V465 HydrophobicContact CD2-CG2 3.85Å; I449-V465 HydrophobicContact CD1-CG1 4.37Å; V465-D467 VanDerWaalsContact C-N 3.3Å; V465-D467 PolarHBondContact O-N 2.92Å; V465-R468 CarbonylContact O-C 3.6Å; V465-R468 PolarHBondContact O-N 3.47Å; V465-L469 PolarHBondContact O-N 3.1Å
466L72Confident67Low20 Ų2070.3 Ų70.311%0.10538%0.377CS..Hα-helixtrans-55.3-44.6177.3178.674.9000112.5L405 T464 R468 L469 F499 R503L405-L466 PolarHBondContact O-N 3.42Å; T464-L466 PolarHBondContact O-N 2.97Å; L466-R468 PolarHBondContact O-N 3.21Å; L466-L469 PolarHBondContact O-N 3.39Å; L466-F499 HydrophobicContact CD1-CD1 3.31Å; L466-F499 HydrophobicContact CD1-CE1 3.24Å; L466-F499 HydrophobicContact CD1-CZ 4.42Å; L466-R503 VanDerWaalsContact CB-NH1 3.33Å
467D71.6Confident68.6Low77 Ų7769.3 Ų69.341%0.41237%0.368SS..Hα-helixtrans-62.3-17.2-177.7-60.6-50.6000111.7I463 T464 V465 R496I463-D467 HydrophobicContact CG2-CB 4.16Å; T464-D467 PolarHBondContact N-OD2 2.82Å; T464-D467 PolarHBondContact O-N 2.94Å; T464-D467 VanDerWaalsContact O-N 3.15Å; T464-D467 PolarHBondContact OG1-OD2 2.98Å; V465-D467 VanDerWaalsContact C-N 3.3Å; V465-D467 PolarHBondContact O-N 2.92Å; D467-R496 PolarHBondContact O-NH2 3.36Å
468R78.3Confident70.6Confident49 Ų4965.1 Ų65.119%0.18535%0.348CS..Hα-helixtrans-111.4-2179.8-57.3-162.4176.8175.22.7114.2I449 K450 I463 V465 L466 H470I449-R468 WeakPolarHBondContact CA-O 3.08Å; I449-R468 HydrophobicContact CG2-CB 4.16Å; K450-R468 PolarHBondContact N-O 3.42Å; K450-R468 WeakPolarHBondContact O-CD 3.48Å; I463-R468 HydrophobicContact CG2-CG 4.29Å; V465-R468 CarbonylContact O-C 3.6Å; V465-R468 PolarHBondContact O-N 3.47Å; L466-R468 PolarHBondContact O-N 3.21Å; R468-H470 PolarHBondContact O-CD2 3.43Å; R468-H470 VanDerWaalsContact O-CD2 3.26Å
469L84.7Confident72.5Confident1 Ų155 Ų551%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-75.7125.2178.3-171.368.1000109.9V423 F447 I449 V465 L466 R496 F499V423-L469 HydrophobicContact CG1-CD1 4.16Å; F447-L469 HydrophobicContact CB-CD1 4.29Å; F447-L469 HydrophobicContact CD1-CD1 3.76Å; F447-L469 HydrophobicContact CD1-CD2 4.13Å; F447-L469 HydrophobicContact CD1-CG 3.99Å; F447-L469 HydrophobicContact CE1-CD2 4.19Å; F447-L469 HydrophobicContact CE1-CG 4.47Å; F447-L469 HydrophobicContact CG-CD1 4.41Å; I449-L469 HydrophobicContact CG1-CD1 4.01Å; V465-L469 PolarHBondContact O-N 3.1Å; L466-L469 PolarHBondContact O-N 3.39Å; L469-R496 WeakPolarHBondContact O-CD 3.47Å; L469-R496 WeakPolarHBondContact O-CG 3.41Å; L469-F499 HydrophobicContact CD2-CE1 4.07Å
470H85.8Confident74.5Confident15 Ų1554.1 Ų54.17%0.06930%0.296CS..EExtended strand (participates in β ladder)trans-120.1143.3176.1-74.2-88.8000109.8F447 S448 R468 D492 R496F447-H470 WeakPolarHBondContact CA-O 3.36Å; S448-H470 PolarHBondContact N-O 3.17Å; S448-H470 WeakPolarHBondContact O-CB 2.95Å; S448-H470 PolarHBondContact O-N 2.93Å; S448-H470 WeakPolarHBondContact OG-CB 3.39Å; R468-H470 PolarHBondContact O-CD2 3.43Å; R468-H470 VanDerWaalsContact O-CD2 3.26Å; H470-D492 VanDerWaalsContact CA-OD1 3.3Å; H470-D492 WeakPolarHBondContact CA-OD1 3.03Å; H470-D492 WeakPolarHBondContact CB-OD1 3.46Å; H470-D492 IonicContact CE1-OD2 2.68Å; H470-D492 PolarHBondContact CE1-OD2 3.21Å; H470-D492 IonicContact CG-OD1 3.83Å; H470-D492 IonicContact CG-OD2 2.9Å; H470-D492 VanDerWaalsContact ND1-CG 3.25Å; H470-D492 IonicContact ND1-OD1 3.81Å; H470-D492 PolarHBondContact ND1-OD1 3.05Å; H470-D492 VanDerWaalsContact ND1-OD1 3.09Å; H470-D492 IonicContact ND1-OD2 3.63Å; H470-D492 PolarHBondContact ND1-OD2 2.59Å; H470-R496 PolarHBondContact CE1-NH1 3.35Å
471L88.8Confident76.1Confident0 Ų054.8 Ų54.80%029%0.285CS..EExtended strand (participates in β ladder)trans-114.9107.4174.3-176.553.6000108.5V364 L365 F445 F447 D492 F495V364-L471 HydrophobicContact CG1-CD2 3.89Å; L365-L471 HydrophobicContact CD1-CD2 4.4Å; L365-L471 HydrophobicContact CD2-CG 4.39Å; L365-L471 HydrophobicContact CG-CD2 3.94Å; L365-L471 HydrophobicContact CG-CG 4.17Å; F445-L471 HydrophobicContact CB-CD1 4.03Å; F447-L471 HydrophobicContact CD1-CB 4.42Å; F447-L471 HydrophobicContact CD1-CD1 3.97Å; F447-L471 HydrophobicContact CD2-CD1 4.16Å; F447-L471 HydrophobicContact CE1-CB 4.22Å; F447-L471 HydrophobicContact CE1-CD1 3.78Å; F447-L471 HydrophobicContact CE1-CD2 4.25Å; F447-L471 HydrophobicContact CE1-CG 4.32Å; F447-L471 HydrophobicContact CE2-CD1 3.94Å; F447-L471 HydrophobicContact CG-CD1 4.18Å; F447-L471 HydrophobicContact CZ-CD1 3.77Å; F447-L471 HydrophobicContact CZ-CD2 4.22Å; L471-D492 PolarHBondContact N-OD1 3.44Å; L471-D492 VanDerWaalsContact N-OD1 3.08Å; L471-F495 HydrophobicContact CB-CD1 3.61Å; L471-F495 HydrophobicContact CB-CE1 3.66Å; L471-F495 HydrophobicContact CB-CG 4.1Å; L471-F495 HydrophobicContact CB-CZ 4.18Å; L471-F495 HydrophobicContact CD2-CD1 4.45Å; L471-F495 HydrophobicContact CD2-CD2 3.98Å; L471-F495 HydrophobicContact CD2-CE1 4.32Å; L471-F495 HydrophobicContact CD2-CE2 3.84Å; L471-F495 HydrophobicContact CD2-CG 4.29Å; L471-F495 HydrophobicContact CD2-CZ 4.02Å
472C87.5Confident77.7Confident50 Ų5045.4 Ų45.434%0.33824%0.241SC..EExtended strand (participates in β ladder)trans-94.7134.4-176.6-68.90000110.3F445 K446 S448F445-C472 WeakPolarHBondContact CA-O 3.36Å; K446-C472 PolarHBondContact N-O 3.23Å; K446-C472 PolarHBondContact O-N 3.15Å; S448-C472 PolarHBondContact OG-SG 3.45Å
473I88Confident79.2Confident16 Ų1640.3 Ų40.38%0.08221%0.214CC..EExtended strand (participates in β ladder)trans-82.4122170.4-54.9176.3000107.6Y357 V361 L365 F445 F483 Y491Y357-I473 VanDerWaalsContact OH-CG2 3.25Å; Y357-I473 WeakPolarHBondContact OH-CG2 3.32Å; V361-I473 HydrophobicContact CG1-CD1 4.02Å; L365-I473 HydrophobicContact CD1-CD1 4.25Å; L365-I473 HydrophobicContact CD1-CG1 3.88Å; L365-I473 HydrophobicContact CD2-CD1 3.96Å; L365-I473 HydrophobicContact CD2-CG1 3.7Å; L365-I473 HydrophobicContact CG-CG1 4.48Å; F445-I473 HydrophobicContact CD1-CG1 4.42Å; F445-I473 HydrophobicContact CE1-CG1 4.25Å; I473-F483 HydrophobicContact CD1-CD1 4.13Å; I473-F483 HydrophobicContact CD1-CE1 4.18Å; I473-F483 HydrophobicContact CG2-CD1 4.31Å; I473-Y491 HydrophobicContact CD1-CD2 3.63Å; I473-Y491 HydrophobicContact CD1-CE2 4.3Å; I473-Y491 HydrophobicContact CD1-CG 4.06Å
474I86.3Confident80.2Confident78 Ų7838.3 Ų38.340%0.421%0.206SC..  trans-95.192167.5-58.6175.5000105.7N444 K446 P476N444-I474 PolarHBondContact O-N 3.29Å; K446-I474 HydrophobicContact CB-CD1 3.66Å; K446-I474 HydrophobicContact CB-CG1 4.28Å; K446-I474 HydrophobicContact CD-CD1 4.37Å; I474-P476 WeakPolarHBondContact O-CD 3.29Å
475A82Confident80.9Confident28 Ų2841.7 Ų41.723%0.23123%0.228CC..  trans-69.7128.8-178.600000110F479 F483A475-F479 HydrophobicContact CB-CB 4.49Å; A475-F483 HydrophobicContact CB-CB 3.73Å; A475-F483 HydrophobicContact CB-CG 4.32Å
476P80.7Confident81.6Confident37 Ų3746.6 Ų46.624%0.2425%0.254CS..  trans-50.7149.4166.6-28.433.9000111.2Y357 N444 I474 V478 F479 E480Y357-P476 HydrophobicContact CE2-CG 4.26Å; N444-P476 WeakPolarHBondContact OD1-CD 3.32Å; N444-P476 WeakPolarHBondContact OD1-CG 2.95Å; I474-P476 WeakPolarHBondContact O-CD 3.29Å; P476-V478 PolarHBondContact O-N 3.33Å; P476-F479 HydrophobicContact CB-CD2 4Å; P476-F479 HydrophobicContact CG-CD2 3.86Å; P476-F479 HydrophobicContact CG-CE2 4.39Å; P476-F479 PolarHBondContact O-N 2.9Å; P476-E480 PolarHBondContact O-N 3.14Å
477P71Confident82.4Confident81 Ų8145.9 Ų45.953%0.52625%0.251SS..THydrogen-bonded Turntrans-62.9-13.3-172.426-36.5000114.4K246K246-P477 PolarHBondContact NZ-O 3.1Å
478V74.8Confident83.3Confident58 Ų5843.4 Ų43.435%0.35224%0.239SC..THydrogen-bonded Turntrans-81.1-34.8173.7-174.20000111L348 H352 P476L348-V478 HydrophobicContact CD1-CG1 3.57Å; H352-V478 HydrophobicContact CB-CG1 4.32Å; H352-V478 WeakPolarHBondContact CD2-CG1 3.42Å; H352-V478 WeakPolarHBondContact NE2-CG1 3.26Å; P476-V478 PolarHBondContact O-N 3.33Å
479F81Confident83.8Confident10 Ų1046.5 Ų46.54%0.04425%0.251CS..THydrogen-bonded Turntrans-91.4-6.8-178.3-63-45.1000113.8L348 H352 L354 Y357 A475 P476 R481 L482 F483L348-F479 HydrophobicContact CD1-CD1 3.56Å; L348-F479 HydrophobicContact CD1-CE1 3.46Å; L348-F479 VanDerWaalsContact CD1-CE1 3.46Å; L348-F479 HydrophobicContact CG-CD1 4.31Å; L348-F479 HydrophobicContact CG-CE1 4.03Å; H352-F479 HydrophobicContact CB-CE1 3.97Å; H352-F479 HydrophobicContact CB-CZ 3.77Å; H352-F479 WeakPolarHBondContact O-CZ 3.35Å; L354-F479 HydrophobicContact CB-CE1 3.96Å; L354-F479 HydrophobicContact CB-CZ 4.43Å; L354-F479 HydrophobicContact CD1-CD1 3.69Å; L354-F479 HydrophobicContact CD1-CE1 3.47Å; L354-F479 VanDerWaalsContact CD1-CE1 3.47Å; L354-F479 HydrophobicContact CD1-CZ 4.22Å; L354-F479 HydrophobicContact CG-CE1 4.32Å; Y357-F479 AromaticContact CD1-CD2 3.68Å; Y357-F479 HydrophobicContact CD1-CD2 3.68Å; Y357-F479 AromaticContact CD1-CE2 3.82Å; Y357-F479 HydrophobicContact CD1-CE2 3.82Å; Y357-F479 HydrophobicContact CD1-CG 4.22Å; Y357-F479 HydrophobicContact CD1-CZ 4.46Å; Y357-F479 HydrophobicContact CD2-CD2 4.17Å; Y357-F479 AromaticContact CD2-CE2 3.94Å; Y357-F479 HydrophobicContact CD2-CE2 3.94Å; Y357-F479 HydrophobicContact CE1-CB 4.47Å; Y357-F479 AromaticContact CE1-CD2 3.85Å; Y357-F479 HydrophobicContact CE1-CD2 3.85Å; Y357-F479 HydrophobicContact CE1-CE2 4.41Å; Y357-F479 HydrophobicContact CE1-CG 4.33Å; Y357-F479 HydrophobicContact CE2-CD2 4.32Å; Y357-F479 AromaticContact CG-CD2 3.85Å; Y357-F479 HydrophobicContact CG-CD2 3.85Å; Y357-F479 AromaticContact CG-CE2 3.56Å; Y357-F479 HydrophobicContact CG-CE2 3.56Å; Y357-F479 HydrophobicContact CG-CZ 4.26Å; A475-F479 HydrophobicContact CB-CB 4.49Å; P476-F479 HydrophobicContact CB-CD2 4Å; P476-F479 HydrophobicContact CG-CD2 3.86Å; P476-F479 HydrophobicContact CG-CE2 4.39Å; P476-F479 PolarHBondContact O-N 2.9Å; F479-R481 PolarHBondContact O-N 3.39Å; F479-R481 VanDerWaalsContact O-N 3.11Å; F479-L482 WeakPolarHBondContact O-CA 3.38Å; F479-L482 PolarHBondContact O-N 3.38Å; F479-F483 HydrophobicContact CB-CD2 3.94Å; F479-F483 HydrophobicContact CB-CE2 4.4Å; F479-F483 PolarHBondContact O-N 3.2Å
480E78.1Confident84Confident122 Ų12246.8 Ų46.857%0.5725%0.254SS*.THydrogen-bonded Turntrans-53.3-35.6-178.5-167.2177.6-179.900112.6P476 L482P476-E480 PolarHBondContact O-N 3.14Å; E480-L482 VanDerWaalsContact C-N 3.34Å; E480-L482 PolarHBondContact O-N 3.48Å
481R77.5Confident84.4Confident100 Ų10046.2 Ų46.238%0.37725%0.251SS..THydrogen-bonded Turntrans-66.8-33.2176.2-148.4-175.6-154.8171.311.8112.9E270 E273 F479 Q579E270-R481 PolarHBondContact O-NH2 2.97Å; E273-R481 IonicContact OE2-NH2 2.81Å; E273-R481 PolarHBondContact OE2-NH2 3.32Å; F479-R481 PolarHBondContact O-N 3.39Å; F479-R481 VanDerWaalsContact O-N 3.11Å; R481-Q579 PolarHBondContact O-NE2 2.9Å
482L82.2Confident84.5Confident2 Ų246.7 Ų46.71%0.0125%0.253CS..THydrogen-bonded Turntrans-84.1-36.9177.5-70.3-172.9000112L348 L354 F479 E480 S484 I487 I575 I578 Q579L348-L482 HydrophobicContact CD2-CD1 3.46Å; L348-L482 VanDerWaalsContact CD2-CD1 3.46Å; L348-L482 HydrophobicContact CD2-CG 4.06Å; L348-L482 HydrophobicContact CG-CD1 4.47Å; L354-L482 HydrophobicContact CD1-CD1 3.55Å; L354-L482 HydrophobicContact CD2-CD1 3.65Å; L354-L482 HydrophobicContact CG-CD1 4.26Å; F479-L482 WeakPolarHBondContact O-CA 3.38Å; F479-L482 PolarHBondContact O-N 3.38Å; E480-L482 VanDerWaalsContact C-N 3.34Å; E480-L482 PolarHBondContact O-N 3.48Å; L482-S484 PolarHBondContact O-N 3.25Å; L482-I487 WeakPolarHBondContact O-CD1 3.13Å; L482-I575 HydrophobicContact CD2-CG2 3.97Å; L482-I578 HydrophobicContact CD1-CG2 4.43Å; L482-I578 HydrophobicContact CD2-CG2 4.08Å; L482-Q579 HydrophobicContact CD2-CG 3.54Å
483F85.7Confident84.6Confident9 Ų950.4 Ų50.44%0.03926%0.26CS..SBendtrans-9770.4-176.8-75-96.4000111Y357 I358 V361 I473 A475 F479 I487 Y491Y357-F483 AromaticContact CD1-CE2 3.73Å; Y357-F483 HydrophobicContact CD1-CE2 3.73Å; Y357-F483 AromaticContact CD1-CZ 3.83Å; Y357-F483 HydrophobicContact CD1-CZ 3.83Å; Y357-F483 AromaticContact CE1-CD2 3.96Å; Y357-F483 HydrophobicContact CE1-CD2 3.96Å; Y357-F483 HydrophobicContact CE1-CE1 4.07Å; Y357-F483 AromaticContact CE1-CE2 3.4Å; Y357-F483 HydrophobicContact CE1-CE2 3.4Å; Y357-F483 VanDerWaalsContact CE1-CE2 3.4Å; Y357-F483 AromaticContact CE1-CZ 3.46Å; Y357-F483 HydrophobicContact CE1-CZ 3.46Å; Y357-F483 VanDerWaalsContact CE1-CZ 3.46Å; I358-F483 HydrophobicContact CG1-CZ 4.34Å; V361-F483 HydrophobicContact CG1-CE1 4.44Å; V361-F483 HydrophobicContact CG2-CE1 4.17Å; V361-F483 HydrophobicContact CG2-CZ 4.3Å; I473-F483 HydrophobicContact CD1-CD1 4.13Å; I473-F483 HydrophobicContact CD1-CE1 4.18Å; I473-F483 HydrophobicContact CG2-CD1 4.31Å; A475-F483 HydrophobicContact CB-CB 3.73Å; A475-F483 HydrophobicContact CB-CG 4.32Å; F479-F483 HydrophobicContact CB-CD2 3.94Å; F479-F483 HydrophobicContact CB-CE2 4.4Å; F479-F483 PolarHBondContact O-N 3.2Å; F483-I487 HydrophobicContact CD1-CG2 4.01Å; F483-Y491 HydrophobicContact CE1-CE2 4Å
484S85.1Confident84.8Confident27 Ų2749.8 Ų49.819%0.18926%0.257CS..  trans-58.8154.1173.681.20000111.1L482 N486 I487 C488L482-S484 PolarHBondContact O-N 3.25Å; S484-N486 PolarHBondContact O-N 2.84Å; S484-I487 WeakPolarHBondContact O-CB 3.47Å; S484-I487 PolarHBondContact O-N 3.01Å; S484-I487 WeakPolarHBondContact OG-CG1 3.43Å; S484-I487 PolarHBondContact OG-N 3.42Å; S484-C488 PolarHBondContact O-N 2.92Å
485P84.5Confident85.1Confident94 Ų9446.1 Ų46.161%0.6124%0.238SC*.Hα-helixtrans-58.6-24.1177.223.2-34.8000112.9R489P485-R489 VanDerWaalsContact O-CB 3.31Å; P485-R489 WeakPolarHBondContact O-CB 3.4Å; P485-R489 PolarHBondContact O-N 3.24Å; P485-R489 VanDerWaalsContact O-N 3.1Å
486N87.3Confident85.5Confident104 Ų10449.3 Ų49.356%0.55624%0.244SC*.Hα-helixtrans-72-41.8175.1-67.2-23.9000111.9S484 R489 A490S484-N486 PolarHBondContact O-N 2.84Å; N486-R489 PolarHBondContact O-N 3.29Å; N486-R489 PolarHBondContact OD1-NH1 2.86Å; N486-A490 WeakPolarHBondContact O-CB 3.44Å; N486-A490 PolarHBondContact O-N 3.13Å
487I89.3Confident86Confident6 Ų648 Ų483%0.03124%0.235CC..Hα-helixtrans-62.6-48.8174.5-75.4169.5000110.3L482 F483 S484 R489 A490 Y491 Q582 E583 L586L482-I487 WeakPolarHBondContact O-CD1 3.13Å; F483-I487 HydrophobicContact CD1-CG2 4.01Å; S484-I487 WeakPolarHBondContact O-CB 3.47Å; S484-I487 PolarHBondContact O-N 3.01Å; S484-I487 WeakPolarHBondContact OG-CG1 3.43Å; S484-I487 PolarHBondContact OG-N 3.42Å; I487-R489 VanDerWaalsContact C-N 3.3Å; I487-R489 PolarHBondContact O-N 3.37Å; I487-A490 WeakPolarHBondContact O-CB 3.46Å; I487-A490 PolarHBondContact O-N 3Å; I487-Y491 HydrophobicContact CG2-CD2 3.94Å; I487-Y491 HydrophobicContact CG2-CE2 3.72Å; I487-Y491 WeakPolarHBondContact O-CD2 2.98Å; I487-Y491 PolarHBondContact O-N 3.33Å; I487-Q582 HydrophobicContact CD1-CG 4.22Å; I487-Q582 VanDerWaalsContact CG2-NE2 3.33Å; I487-E583 HydrophobicContact CD1-CG 4.01Å; I487-E583 HydrophobicContact CG1-CG 4.2Å; I487-L586 HydrophobicContact CB-CD1 4.09Å; I487-L586 HydrophobicContact CG1-CD1 4.02Å; I487-L586 HydrophobicContact CG2-CD1 3.71Å
488C90.1Very high87Confident24 Ų2444.5 Ų44.516%0.16221%0.212CC..Hα-helixtrans-59.4-42.1177.8-61.70000111.9S484 A490 Y491 D492S484-C488 PolarHBondContact O-N 2.92Å; C488-A490 VanDerWaalsContact C-N 3.31Å; C488-A490 PolarHBondContact O-N 3.37Å; C488-Y491 PolarHBondContact O-N 3.12Å; C488-D492 PolarHBondContact O-N 3.35Å
489R89Confident87.8Confident114 Ų11441.8 Ų41.843%0.4320%0.195SC..Hα-helixtrans-65.7-33.5175.6-168.6-177.2-60.1108.1-0.9112.5P485 N486 I487 R493P485-R489 VanDerWaalsContact O-CB 3.31Å; P485-R489 WeakPolarHBondContact O-CB 3.4Å; P485-R489 PolarHBondContact O-N 3.24Å; P485-R489 VanDerWaalsContact O-N 3.1Å; N486-R489 PolarHBondContact O-N 3.29Å; N486-R489 PolarHBondContact OD1-NH1 2.86Å; I487-R489 VanDerWaalsContact C-N 3.3Å; I487-R489 PolarHBondContact O-N 3.37Å; R489-R493 VanDerWaalsContact O-CG 3.28Å; R489-R493 WeakPolarHBondContact O-CG 3.05Å; R489-R493 PolarHBondContact O-N 2.97Å; R489-R493 VanDerWaalsContact O-N 3.13Å
490A90.1Very high88.2Confident8 Ų842.1 Ų42.17%0.06620%0.2CC..Hα-helixtrans-69-42.2177.900000111.8N486 I487 C488 R493 L494 L586 Q590N486-A490 WeakPolarHBondContact O-CB 3.44Å; N486-A490 PolarHBondContact O-N 3.13Å; I487-A490 WeakPolarHBondContact O-CB 3.46Å; I487-A490 PolarHBondContact O-N 3Å; C488-A490 VanDerWaalsContact C-N 3.31Å; C488-A490 PolarHBondContact O-N 3.37Å; A490-R493 PolarHBondContact O-N 3.43Å; A490-L494 PolarHBondContact O-N 3.14Å; A490-L586 HydrophobicContact CB-CB 4.32Å; A490-L586 HydrophobicContact CB-CD1 4.18Å; A490-Q590 VanDerWaalsContact CA-NE2 3.34Å; A490-Q590 PolarHBondContact O-NE2 3.33Å
491Y93.5Very high88.8Confident3 Ų336.5 Ų36.51%0.01217%0.173CC..Hα-helixtrans-62.2-46.3172.6-78.7-67.8000112.4V361 L366 I473 F483 I487 C488 R493 L494 F495 Y585 L586V361-Y491 HydrophobicContact CG1-CD1 4.14Å; V361-Y491 HydrophobicContact CG1-CD2 4.35Å; V361-Y491 HydrophobicContact CG1-CE1 3.82Å; V361-Y491 HydrophobicContact CG1-CE2 4.03Å; V361-Y491 HydrophobicContact CG1-CG 4.4Å; L366-Y491 HydrophobicContact CD1-CE1 4.21Å; L366-Y491 HydrophobicContact CD2-CD1 4.18Å; L366-Y491 HydrophobicContact CG-CD1 4.35Å; L366-Y491 HydrophobicContact CG-CE1 4.39Å; I473-Y491 HydrophobicContact CD1-CD2 3.63Å; I473-Y491 HydrophobicContact CD1-CE2 4.3Å; I473-Y491 HydrophobicContact CD1-CG 4.06Å; F483-Y491 HydrophobicContact CE1-CE2 4Å; I487-Y491 HydrophobicContact CG2-CD2 3.94Å; I487-Y491 HydrophobicContact CG2-CE2 3.72Å; I487-Y491 WeakPolarHBondContact O-CD2 2.98Å; I487-Y491 PolarHBondContact O-N 3.33Å; C488-Y491 PolarHBondContact O-N 3.12Å; Y491-R493 VanDerWaalsContact C-N 3.28Å; Y491-R493 PolarHBondContact O-N 3.11Å; Y491-L494 WeakPolarHBondContact O-CB 3.08Å; Y491-L494 PolarHBondContact O-N 2.93Å; Y491-F495 WeakPolarHBondContact O-CB 3.34Å; Y491-F495 PolarHBondContact O-N 2.87Å; Y491-Y585 HydrophobicContact CE1-CE1 4.41Å; Y491-L586 HydrophobicContact CD1-CD2 3.8Å; Y491-L586 HydrophobicContact CD2-CD1 4.1Å; Y491-L586 HydrophobicContact CD2-CD2 4.23Å; Y491-L586 HydrophobicContact CE1-CD2 3.6Å; Y491-L586 HydrophobicContact CE2-CD1 3.79Å; Y491-L586 HydrophobicContact CE2-CD2 4.07Å; Y491-L586 HydrophobicContact CE2-CG 4.44Å; Y491-L586 HydrophobicContact CG-CD2 4.1Å
492D90.6Very high89.4Confident10 Ų1033.1 Ų33.15%0.05316%0.161CC..Hα-helixtrans-58.1-39.7177.3170.668.8000112.4H470 L471 C488 L494 F495 R496H470-D492 VanDerWaalsContact CA-OD1 3.3Å; H470-D492 WeakPolarHBondContact CA-OD1 3.03Å; H470-D492 WeakPolarHBondContact CB-OD1 3.46Å; H470-D492 IonicContact CE1-OD2 2.68Å; H470-D492 PolarHBondContact CE1-OD2 3.21Å; H470-D492 IonicContact CG-OD1 3.83Å; H470-D492 IonicContact CG-OD2 2.9Å; H470-D492 VanDerWaalsContact ND1-CG 3.25Å; H470-D492 IonicContact ND1-OD1 3.81Å; H470-D492 PolarHBondContact ND1-OD1 3.05Å; H470-D492 VanDerWaalsContact ND1-OD1 3.09Å; H470-D492 IonicContact ND1-OD2 3.63Å; H470-D492 PolarHBondContact ND1-OD2 2.59Å; L471-D492 PolarHBondContact N-OD1 3.44Å; L471-D492 VanDerWaalsContact N-OD1 3.08Å; C488-D492 PolarHBondContact O-N 3.35Å; D492-L494 PolarHBondContact O-N 3.26Å; D492-F495 PolarHBondContact O-N 2.9Å; D492-R496 WeakPolarHBondContact O-CG 3.19Å; D492-R496 PolarHBondContact O-N 2.5Å
493R90.1Very high89.5Confident127 Ų12734 Ų3448%0.47916%0.164SC..Hα-helixtrans-62.7-41.3174.3-73.6171.4-175.8170.41.8112.6R489 A490 Y491 F497R489-R493 VanDerWaalsContact O-CG 3.28Å; R489-R493 WeakPolarHBondContact O-CG 3.05Å; R489-R493 PolarHBondContact O-N 2.97Å; R489-R493 VanDerWaalsContact O-N 3.13Å; A490-R493 PolarHBondContact O-N 3.43Å; Y491-R493 VanDerWaalsContact C-N 3.28Å; Y491-R493 PolarHBondContact O-N 3.11Å; R493-F497 PolarHBondContact O-N 3.33Å
494L92.4Very high89.7Confident4 Ų433.9 Ų33.92%0.02116%0.164CC..Hα-helixtrans-67-47.1176.7-74.4162.3000110.5L366 A490 Y491 D492 R496 F497 L498 L586 L589 Q590 A593 L595L366-L494 HydrophobicContact CD2-CB 3.81Å; L366-L494 HydrophobicContact CD2-CD1 4.01Å; L366-L494 HydrophobicContact CD2-CG 4.48Å; A490-L494 PolarHBondContact O-N 3.14Å; Y491-L494 WeakPolarHBondContact O-CB 3.08Å; Y491-L494 PolarHBondContact O-N 2.93Å; D492-L494 PolarHBondContact O-N 3.26Å; L494-R496 PolarHBondContact O-N 3.45Å; L494-F497 PolarHBondContact O-N 2.99Å; L494-L498 WeakPolarHBondContact O-CB 3.3Å; L494-L498 VanDerWaalsContact O-CG 3.28Å; L494-L498 WeakPolarHBondContact O-CG 2.94Å; L494-L498 PolarHBondContact O-N 2.86Å; L494-L586 HydrophobicContact CD1-CD2 3.93Å; L494-L589 HydrophobicContact CD1-CB 4Å; L494-L589 HydrophobicContact CD1-CD1 4.01Å; L494-L589 HydrophobicContact CD2-CB 4.32Å; L494-Q590 HydrophobicContact CD1-CG 4.17Å; L494-Q590 HydrophobicContact CD2-CG 4.14Å; L494-Q590 HydrophobicContact CG-CG 4.06Å; L494-A593 HydrophobicContact CD2-CB 4.07Å; L494-L595 HydrophobicContact CD2-CD1 3.67Å; L494-L595 HydrophobicContact CG-CD1 4.18Å
495F93.1Very high90Very high1 Ų133.1 Ų33.10%0.00416%0.157CC..Hα-helixtrans-52.2-53.6176.5170-105.1000111.3L365 L367 F373 F447 L471 Y491 D492 F497 L498 F499L365-F495 WeakPolarHBondContact O-CA 3.42Å; L365-F495 WeakPolarHBondContact O-CB 3.29Å; L367-F495 HydrophobicContact CD2-CD2 4.31Å; L367-F495 HydrophobicContact CD2-CE2 4.1Å; F373-F495 HydrophobicContact CD1-CE2 4.5Å; F373-F495 AromaticContact CE1-CE2 3.57Å; F373-F495 HydrophobicContact CE1-CE2 3.57Å; F373-F495 HydrophobicContact CE1-CZ 4.07Å; F373-F495 AromaticContact CZ-CE2 3.76Å; F373-F495 HydrophobicContact CZ-CE2 3.76Å; F447-F495 HydrophobicContact CE1-CZ 4.19Å; L471-F495 HydrophobicContact CB-CD1 3.61Å; L471-F495 HydrophobicContact CB-CE1 3.66Å; L471-F495 HydrophobicContact CB-CG 4.1Å; L471-F495 HydrophobicContact CB-CZ 4.18Å; L471-F495 HydrophobicContact CD2-CD1 4.45Å; L471-F495 HydrophobicContact CD2-CD2 3.98Å; L471-F495 HydrophobicContact CD2-CE1 4.32Å; L471-F495 HydrophobicContact CD2-CE2 3.84Å; L471-F495 HydrophobicContact CD2-CG 4.29Å; L471-F495 HydrophobicContact CD2-CZ 4.02Å; Y491-F495 WeakPolarHBondContact O-CB 3.34Å; Y491-F495 PolarHBondContact O-N 2.87Å; D492-F495 PolarHBondContact O-N 2.9Å; F495-F497 VanDerWaalsContact C-N 3.27Å; F495-F497 PolarHBondContact O-N 2.95Å; F495-L498 PolarHBondContact O-N 3.49Å; F495-F499 HydrophobicContact CD2-CB 4.42Å; F495-F499 HydrophobicContact CE1-CB 4.47Å; F495-F499 HydrophobicContact CE1-CD1 4.41Å; F495-F499 HydrophobicContact CE2-CB 4.05Å; F495-F499 HydrophobicContact CE2-CD2 4.36Å; F495-F499 HydrophobicContact CE2-CG 4.14Å; F495-F499 HydrophobicContact CZ-CB 4.07Å; F495-F499 HydrophobicContact CZ-CD1 4.02Å; F495-F499 HydrophobicContact CZ-CD2 4.36Å; F495-F499 AromaticContact CZ-CG 3.9Å; F495-F499 HydrophobicContact CZ-CG 3.9Å; F495-F499 WeakPolarHBondContact O-CB 3.34Å; F495-F499 PolarHBondContact O-N 2.93Å
496R90.3Very high90.1Very high95 Ų9529.3 Ų29.336%0.35813%0.132SC..Hα-helixtrans-58.7-39.8-178.6-72.717664.8-162.52.4112.8D467 L469 H470 D492 L494 A500D467-R496 PolarHBondContact O-NH2 3.36Å; L469-R496 WeakPolarHBondContact O-CD 3.47Å; L469-R496 WeakPolarHBondContact O-CG 3.41Å; H470-R496 PolarHBondContact CE1-NH1 3.35Å; D492-R496 WeakPolarHBondContact O-CG 3.19Å; D492-R496 PolarHBondContact O-N 2.5Å; L494-R496 PolarHBondContact O-N 3.45Å; R496-A500 WeakPolarHBondContact O-CB 3.48Å; R496-A500 PolarHBondContact O-N 3.44Å; R496-A500 VanDerWaalsContact O-N 3.16Å
497F91.1Very high90Very high8 Ų825.5 Ų25.54%0.03511%0.11CC..Hα-helixtrans-69-48.5178.2-178.3-116.4000112R493 L494 F495 F499 A500 I501 L553 A593 L595 I604 L605R493-F497 PolarHBondContact O-N 3.33Å; L494-F497 PolarHBondContact O-N 2.99Å; F495-F497 VanDerWaalsContact C-N 3.27Å; F495-F497 PolarHBondContact O-N 2.95Å; F497-F499 VanDerWaalsContact C-N 3.35Å; F497-F499 PolarHBondContact O-N 3.28Å; F497-A500 PolarHBondContact O-N 2.85Å; F497-I501 HydrophobicContact CD1-CD1 4.15Å; F497-I501 HydrophobicContact CE1-CD1 3.8Å; F497-I501 HydrophobicContact CE2-CD1 4.29Å; F497-I501 HydrophobicContact CZ-CD1 3.88Å; F497-I501 WeakPolarHBondContact O-CG1 3.2Å; F497-I501 PolarHBondContact O-N 3.14Å; F497-L553 HydrophobicContact CE1-CD1 3.91Å; F497-L553 HydrophobicContact CE1-CD2 4.47Å; F497-A593 VanDerWaalsContact CE1-O 3.31Å; F497-A593 WeakPolarHBondContact CE1-O 3.37Å; F497-L595 HydrophobicContact CB-CD2 3.85Å; F497-L595 HydrophobicContact CD1-CD2 3.82Å; F497-L595 HydrophobicContact CD2-CD2 3.98Å; F497-L595 HydrophobicContact CE1-CD2 4.33Å; F497-L595 HydrophobicContact CE2-CD2 4.49Å; F497-L595 HydrophobicContact CG-CD2 3.61Å; F497-I604 HydrophobicContact CE2-CG2 4.01Å; F497-I604 HydrophobicContact CZ-CD1 4.21Å; F497-I604 HydrophobicContact CZ-CG2 4.11Å; F497-L605 HydrophobicContact CD2-CD2 4.49Å
498L92.3Very high90Very high8 Ų825.2 Ų25.24%0.04211%0.109CC..Hα-helixtrans-64.5-40.5179.2-67.2168.9000111.7L366 L367 L494 F495 I501 R502 L553 I558L366-L498 HydrophobicContact CB-CD1 4.41Å; L366-L498 HydrophobicContact CD2-CD1 4.1Å; L367-L498 HydrophobicContact CD1-CB 3.64Å; L367-L498 HydrophobicContact CG-CB 4.16Å; L494-L498 WeakPolarHBondContact O-CB 3.3Å; L494-L498 VanDerWaalsContact O-CG 3.28Å; L494-L498 WeakPolarHBondContact O-CG 2.94Å; L494-L498 PolarHBondContact O-N 2.86Å; F495-L498 PolarHBondContact O-N 3.49Å; L498-I501 PolarHBondContact O-N 2.93Å; L498-R502 PolarHBondContact O-N 3.27Å; L498-L553 HydrophobicContact CD2-CB 3.99Å; L498-L553 HydrophobicContact CD2-CD1 3.88Å; L498-L553 HydrophobicContact CD2-CG 4.46Å; L498-I558 HydrophobicContact CD1-CD1 3.77Å; L498-I558 HydrophobicContact CD2-CD1 4.11Å
499F90.4Very high89.9Confident2 Ų228 Ų281%0.00912%0.119CC..Hα-helixtrans-68.4-36.8-178.7-171.1-122.7000111.7L367 F373 F376 L377 L405 L466 L469 F495 F497 I501 R502 R503L367-F499 HydrophobicContact CD2-CD2 4.34Å; F373-F499 HydrophobicContact CB-CE2 4.4Å; F373-F499 AromaticContact CD1-CD2 3.85Å; F373-F499 HydrophobicContact CD1-CD2 3.85Å; F373-F499 AromaticContact CD1-CE2 3.6Å; F373-F499 HydrophobicContact CD1-CE2 3.6Å; F373-F499 HydrophobicContact CE1-CD2 4.39Å; F373-F499 HydrophobicContact CE1-CE2 4.36Å; F373-F499 HydrophobicContact CG-CE2 4.37Å; F376-F499 HydrophobicContact CD1-CE2 4.42Å; F376-F499 HydrophobicContact CD1-CZ 4.26Å; F376-F499 HydrophobicContact CE1-CE2 4.41Å; F376-F499 AromaticContact CE1-CZ 3.86Å; F376-F499 HydrophobicContact CE1-CZ 3.86Å; L377-F499 HydrophobicContact CD1-CE2 4.49Å; L377-F499 HydrophobicContact CD2-CZ 4.13Å; L405-F499 HydrophobicContact CD1-CE1 4.31Å; L405-F499 HydrophobicContact CD1-CZ 4.3Å; L466-F499 HydrophobicContact CD1-CD1 3.31Å; L466-F499 HydrophobicContact CD1-CE1 3.24Å; L466-F499 HydrophobicContact CD1-CZ 4.42Å; L469-F499 HydrophobicContact CD2-CE1 4.07Å; F495-F499 HydrophobicContact CD2-CB 4.42Å; F495-F499 HydrophobicContact CE1-CB 4.47Å; F495-F499 HydrophobicContact CE1-CD1 4.41Å; F495-F499 HydrophobicContact CE2-CB 4.05Å; F495-F499 HydrophobicContact CE2-CD2 4.36Å; F495-F499 HydrophobicContact CE2-CG 4.14Å; F495-F499 HydrophobicContact CZ-CB 4.07Å; F495-F499 HydrophobicContact CZ-CD1 4.02Å; F495-F499 HydrophobicContact CZ-CD2 4.36Å; F495-F499 AromaticContact CZ-CG 3.9Å; F495-F499 HydrophobicContact CZ-CG 3.9Å; F495-F499 WeakPolarHBondContact O-CB 3.34Å; F495-F499 PolarHBondContact O-N 2.93Å; F497-F499 VanDerWaalsContact C-N 3.35Å; F497-F499 PolarHBondContact O-N 3.28Å; F499-I501 PolarHBondContact O-N 2.95Å; F499-R502 PolarHBondContact O-N 3.06Å; F499-R503 WeakPolarHBondContact O-CB 3.3Å; F499-R503 PolarHBondContact O-N 3.47Å
500A89.3Confident89.8Confident17 Ų1726.8 Ų26.814%0.1412%0.119CC..Hα-helixtrans-61.4-42.1172.500000112.4R496 F497 T504 L608R496-A500 WeakPolarHBondContact O-CB 3.48Å; R496-A500 PolarHBondContact O-N 3.44Å; R496-A500 VanDerWaalsContact O-N 3.16Å; F497-A500 PolarHBondContact O-N 2.85Å; A500-T504 PolarHBondContact O-N 3.37Å; A500-T504 PolarHBondContact O-OG1 3.06Å; A500-L608 HydrophobicContact CB-CD1 4.16Å
501I90.9Very high89.6Confident3 Ų326.5 Ų26.52%0.01512%0.116CC..Hα-helixtrans-64.2-50.6176.1-63.6165000109.9F497 L498 F499 R503 T504 Q505 I546 L549 Q550 L553 L608F497-I501 HydrophobicContact CD1-CD1 4.15Å; F497-I501 HydrophobicContact CE1-CD1 3.8Å; F497-I501 HydrophobicContact CE2-CD1 4.29Å; F497-I501 HydrophobicContact CZ-CD1 3.88Å; F497-I501 WeakPolarHBondContact O-CG1 3.2Å; F497-I501 PolarHBondContact O-N 3.14Å; L498-I501 PolarHBondContact O-N 2.93Å; F499-I501 PolarHBondContact O-N 2.95Å; I501-R503 PolarHBondContact O-N 2.84Å; I501-T504 PolarHBondContact O-N 3.37Å; I501-Q505 PolarHBondContact O-N 2.93Å; I501-I546 HydrophobicContact CG2-CG2 4.03Å; I501-L549 HydrophobicContact CD1-CD2 3.57Å; I501-L549 HydrophobicContact CD1-CG 4.11Å; I501-L549 HydrophobicContact CG1-CD2 3.97Å; I501-L549 HydrophobicContact CG2-CD2 4.31Å; I501-Q550 HydrophobicContact CG2-CB 4.38Å; I501-L553 HydrophobicContact CD1-CD1 3.4Å; I501-L608 HydrophobicContact CG1-CD1 3.76Å; I501-L608 HydrophobicContact CG1-CD2 4.32Å
502R89.4Confident89.3Confident30 Ų3032.3 Ų32.311%0.11314%0.138CC..Hα-helixtrans-59.4-45-179.1-176.454.9167.9-176.4-1.7111.6L367 G370 L498 F499 T504 Q505 L506 Q550L367-R502 HydrophobicContact CD1-CB 3.89Å; L367-R502 HydrophobicContact CD1-CG 4.41Å; G370-R502 PolarHBondContact O-NH2 3.01Å; L498-R502 PolarHBondContact O-N 3.27Å; F499-R502 PolarHBondContact O-N 3.06Å; R502-T504 VanDerWaalsContact C-N 3.33Å; R502-T504 PolarHBondContact O-N 3.39Å; R502-Q505 VanDerWaalsContact CD-OE1 3.29Å; R502-Q505 WeakPolarHBondContact O-CB 3.25Å; R502-Q505 PolarHBondContact O-N 3.38Å; R502-L506 HydrophobicContact CG-CD1 4.23Å; R502-L506 VanDerWaalsContact O-CG 3.3Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.08Å; R502-L506 VanDerWaalsContact O-N 3.09Å; R502-Q550 VanDerWaalsContact NH1-NE2 3.15Å
503R86.2Confident89.1Confident21 Ų2134.2 Ų34.28%0.07916%0.155CC..Hα-helixtrans-58.9-44.8176.6-176.7-171.1-179.9-167.22.6112.4D406 L466 F499 I501 Q505 L506 K507D406-R503 IonicContact OD1-CZ 3.34Å; D406-R503 IonicContact OD1-NH1 2.84Å; D406-R503 IonicContact OD1-NH2 3.03Å; D406-R503 PolarHBondContact OD1-NH2 3.03Å; D406-R503 IonicContact OD2-NH2 2.86Å; D406-R503 PolarHBondContact OD2-NH2 3.11Å; L466-R503 VanDerWaalsContact CB-NH1 3.33Å; F499-R503 WeakPolarHBondContact O-CB 3.3Å; F499-R503 PolarHBondContact O-N 3.47Å; I501-R503 PolarHBondContact O-N 2.84Å; R503-Q505 VanDerWaalsContact C-N 3.29Å; R503-Q505 PolarHBondContact O-N 3.49Å; R503-L506 PolarHBondContact O-N 3.37Å; R503-L506 VanDerWaalsContact O-N 3.16Å; R503-K507 PolarHBondContact O-N 3.11Å
504T89Confident88.8Confident5 Ų532.1 Ų32.13%0.03115%0.153CC..Hα-helixtrans-63.2-40-179.1-510000110.9A500 I501 R502 L506 K507 L508 I546 L608 C611A500-T504 PolarHBondContact O-N 3.37Å; A500-T504 PolarHBondContact O-OG1 3.06Å; I501-T504 PolarHBondContact O-N 3.37Å; R502-T504 VanDerWaalsContact C-N 3.33Å; R502-T504 PolarHBondContact O-N 3.39Å; T504-L506 VanDerWaalsContact C-N 3.34Å; T504-L506 PolarHBondContact O-N 3.19Å; T504-K507 PolarHBondContact O-N 3.07Å; T504-L508 WeakPolarHBondContact O-CG 3.47Å; T504-L508 PolarHBondContact O-N 2.88Å; T504-L508 VanDerWaalsContact O-N 3.08Å; T504-I546 HydrophobicContact CG2-CD1 3.35Å; T504-L608 HydrophobicContact CG2-CB 4.36Å; T504-L608 HydrophobicContact CG2-CD2 3.99Å; T504-C611 HydrophobicContact CG2-CB 3.4Å
505Q90.4Very high88.2Confident12 Ų1231.9 Ų31.96%0.05615%0.152CC..Hα-helixtrans-57.9-46.2173.1-171-170.519.900112I501 R502 R503 L508 Q509 I546 D547I501-Q505 PolarHBondContact O-N 2.93Å; R502-Q505 VanDerWaalsContact CD-OE1 3.29Å; R502-Q505 WeakPolarHBondContact O-CB 3.25Å; R502-Q505 PolarHBondContact O-N 3.38Å; R503-Q505 VanDerWaalsContact C-N 3.29Å; R503-Q505 PolarHBondContact O-N 3.49Å; Q505-L508 PolarHBondContact O-N 3.42Å; Q505-Q509 WeakPolarHBondContact O-CG 3.29Å; Q505-Q509 PolarHBondContact O-N 3.12Å; Q505-I546 HydrophobicContact CB-CG2 3.7Å; Q505-I546 HydrophobicContact CG-CG2 4.21Å; Q505-D547 WeakPolarHBondContact CG-OD1 3.36Å; Q505-D547 PolarHBondContact NE2-OD1 3.33Å
506L86.8Confident87.7Confident14 Ų1434.1 Ų34.17%0.07316%0.163CC..Hα-helixtrans-66.8-43-178.7-62.1172.8000112.2L374 L377 R502 R503 T504 L508 Q509 E510L374-L506 HydrophobicContact CD2-CD1 3.62Å; L374-L506 HydrophobicContact CD2-CD2 3.04Å; L374-L506 HydrophobicContact CD2-CG 3.92Å; L377-L506 HydrophobicContact CD1-CD1 3.3Å; R502-L506 HydrophobicContact CG-CD1 4.23Å; R502-L506 VanDerWaalsContact O-CG 3.3Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.08Å; R502-L506 VanDerWaalsContact O-N 3.09Å; R503-L506 PolarHBondContact O-N 3.37Å; R503-L506 VanDerWaalsContact O-N 3.16Å; T504-L506 VanDerWaalsContact C-N 3.34Å; T504-L506 PolarHBondContact O-N 3.19Å; L506-L508 PolarHBondContact O-N 3.27Å; L506-Q509 CarbonylContact O-C 3.6Å; L506-Q509 WeakPolarHBondContact O-CA 3.48Å; L506-Q509 WeakPolarHBondContact O-CB 3.27Å; L506-Q509 PolarHBondContact O-N 3.18Å; L506-E510 WeakPolarHBondContact O-CG 3.5Å; L506-E510 PolarHBondContact O-N 3.41Å
507K86.1Confident87.2Confident23 Ų2333.3 Ų33.310%0.117%0.166CC..Hα-helixtrans-58.1-37.6174.3-167168.2-175.7175.80111.8R503 T504 F511 C612 V615 D616R503-K507 PolarHBondContact O-N 3.11Å; T504-K507 PolarHBondContact O-N 3.07Å; K507-F511 VanDerWaalsContact O-CB 3.28Å; K507-F511 WeakPolarHBondContact O-CB 3.43Å; K507-F511 PolarHBondContact O-N 2.81Å; K507-C612 HydrophobicContact CD-CB 4.43Å; K507-V615 HydrophobicContact CD-CB 4.44Å; K507-V615 HydrophobicContact CD-CG1 4.39Å; K507-V615 HydrophobicContact CG-CB 4.11Å; K507-V615 HydrophobicContact CG-CG1 3.81Å; K507-V615 HydrophobicContact CG-CG2 4.25Å; K507-D616 VanDerWaalsContact CE-OD1 3.24Å; K507-D616 WeakPolarHBondContact CE-OD1 3.48Å; K507-D616 IonicContact NZ-OD1 2.98Å; K507-D616 PolarHBondContact NZ-OD1 3.25Å; K507-D616 IonicContact NZ-OD2 3.47Å; K507-D616 PolarHBondContact NZ-OD2 3.44Å
508L89.2Confident86.6Confident1 Ų133.7 Ų33.71%0.00517%0.168CC..Hα-helixtrans-71.9-29.8173.5-68.9175.1000113.5T504 Q505 L506 W512 R539 M542 A543 I546 C611 V615T504-L508 WeakPolarHBondContact O-CG 3.47Å; T504-L508 PolarHBondContact O-N 2.88Å; T504-L508 VanDerWaalsContact O-N 3.08Å; Q505-L508 PolarHBondContact O-N 3.42Å; L506-L508 PolarHBondContact O-N 3.27Å; L508-W512 WeakPolarHBondContact O-CB 3.44Å; L508-W512 PolarHBondContact O-N 2.92Å; L508-W512 VanDerWaalsContact O-N 3.16Å; L508-R539 HydrophobicContact CB-CG 4.35Å; L508-R539 HydrophobicContact CD2-CG 3.95Å; L508-R539 WeakPolarHBondContact O-CD 3.44Å; L508-R539 PolarHBondContact O-NH1 2.67Å; L508-M542 HydrophobicContact CD1-CB 3.9Å; L508-M542 HydrophobicContact CD2-CB 4.34Å; L508-M542 HydrophobicContact CD2-SD 4.31Å; L508-A543 HydrophobicContact CD1-CB 4.39Å; L508-I546 HydrophobicContact CD1-CD1 3.68Å; L508-C611 HydrophobicContact CD1-CB 4.35Å; L508-C611 HydrophobicContact CD2-CB 4.46Å; L508-V615 HydrophobicContact CD2-CG2 3.74Å
509Q88.8Confident85.8Confident81 Ų8138.6 Ų38.638%0.37919%0.186SC..Hα-helixtrans-75.1-44176.3-73.4175.8-2.900111.6Q505 L506 W512 A513Q505-Q509 WeakPolarHBondContact O-CG 3.29Å; Q505-Q509 PolarHBondContact O-N 3.12Å; L506-Q509 CarbonylContact O-C 3.6Å; L506-Q509 WeakPolarHBondContact O-CA 3.48Å; L506-Q509 WeakPolarHBondContact O-CB 3.27Å; L506-Q509 PolarHBondContact O-N 3.18Å; Q509-W512 WeakPolarHBondContact O-CB 3.42Å; Q509-W512 PolarHBondContact O-N 3.24Å; Q509-A513 PolarHBondContact O-N 3.19Å
510E85.7Confident85.3Confident90 Ų9047.4 Ų47.442%0.42122%0.219SC..Hα-helixtrans-58-49172-71.4173.7-178.300110.5L506 W512 A513 D514L506-E510 WeakPolarHBondContact O-CG 3.5Å; L506-E510 PolarHBondContact O-N 3.41Å; E510-W512 VanDerWaalsContact C-N 3.27Å; E510-W512 PolarHBondContact O-N 2.96Å; E510-A513 WeakPolarHBondContact O-CB 3.18Å; E510-A513 PolarHBondContact O-N 2.93Å; E510-D514 PolarHBondContact O-N 2.93Å
511F86.2Confident84.7Confident2 Ų255.2 Ų55.21%0.00925%0.245CC..Hα-helixtrans-56.8-40.5176.2179.4-103.3000112.6K507 D514 Q515 R535 R539 F614 V615 S618 N619K507-F511 VanDerWaalsContact O-CB 3.28Å; K507-F511 WeakPolarHBondContact O-CB 3.43Å; K507-F511 PolarHBondContact O-N 2.81Å; F511-D514 PolarHBondContact O-N 3.12Å; F511-Q515 HydrophobicContact CD1-CG 4.07Å; F511-Q515 HydrophobicContact CD2-CG 4.25Å; F511-Q515 HydrophobicContact CE1-CG 3.65Å; F511-Q515 HydrophobicContact CE2-CG 3.84Å; F511-Q515 VanDerWaalsContact CE2-NE2 3.3Å; F511-Q515 HydrophobicContact CG-CG 4.37Å; F511-Q515 HydrophobicContact CZ-CG 3.52Å; F511-Q515 WeakPolarHBondContact O-CB 3.44Å; F511-Q515 VanDerWaalsContact O-CG 3.25Å; F511-Q515 WeakPolarHBondContact O-CG 3.33Å; F511-Q515 PolarHBondContact O-N 3.02Å; F511-R535 HydrophobicContact CZ-CB 4.44Å; F511-R539 HydrophobicContact CD1-CB 4.42Å; F511-R539 HydrophobicContact CD1-CG 4.08Å; F511-R539 HydrophobicContact CE1-CB 4.45Å; F511-F614 HydrophobicContact CD1-CE1 4.42Å; F511-F614 AromaticContact CE1-CE1 3.8Å; F511-F614 HydrophobicContact CE1-CE1 3.8Å; F511-F614 HydrophobicContact CE1-CZ 4.28Å; F511-F614 HydrophobicContact CZ-CE1 4.28Å; F511-F614 HydrophobicContact CZ-CZ 4.49Å; F511-V615 HydrophobicContact CB-CG1 3.94Å; F511-V615 HydrophobicContact CB-CG2 3.95Å; F511-V615 HydrophobicContact CD2-CG1 3.94Å; F511-V615 HydrophobicContact CD2-CG2 4.45Å; F511-V615 HydrophobicContact CG-CG1 4.18Å; F511-V615 HydrophobicContact CG-CG2 4.07Å; F511-S618 VanDerWaalsContact CE2-CB 3.45Å; F511-N619 WeakPolarHBondContact CD2-OD1 3.09Å; F511-N619 WeakPolarHBondContact CE2-OD1 3.41Å
512W88.1Confident83.7Confident125 Ų12556 Ų5647%0.47325%0.25SS..Hα-helixtrans-63.6-43.9175.8177.688.5000112.2L508 Q509 E510 D514 Q515 I516L508-W512 WeakPolarHBondContact O-CB 3.44Å; L508-W512 PolarHBondContact O-N 2.92Å; L508-W512 VanDerWaalsContact O-N 3.16Å; Q509-W512 WeakPolarHBondContact O-CB 3.42Å; Q509-W512 PolarHBondContact O-N 3.24Å; E510-W512 VanDerWaalsContact C-N 3.27Å; E510-W512 PolarHBondContact O-N 2.96Å; W512-D514 VanDerWaalsContact C-N 3.32Å; W512-D514 PolarHBondContact O-N 2.86Å; W512-Q515 PolarHBondContact O-N 3.06Å; W512-I516 HydrophobicContact CD2-CD1 3.58Å; W512-I516 HydrophobicContact CD2-CG1 4.36Å; W512-I516 HydrophobicContact CE3-CD1 3.96Å; W512-I516 HydrophobicContact CG-CD1 4.32Å; W512-I516 HydrophobicContact CH2-CD1 3.44Å; W512-I516 VanDerWaalsContact CH2-CD1 3.44Å; W512-I516 HydrophobicContact CZ2-CD1 3.01Å; W512-I516 HydrophobicContact CZ2-CG1 4.41Å; W512-I516 HydrophobicContact CZ3-CD1 3.89Å; W512-I516 WeakPolarHBondContact O-CB 3.34Å; W512-I516 WeakPolarHBondContact O-CG1 3.35Å; W512-I516 PolarHBondContact O-N 2.69Å
513A85Confident82.5Confident49 Ų4959 Ų5941%0.40528%0.275SS..Hα-helixtrans-61.2-43.4178.200000111.3Q509 E510 I516 L517Q509-A513 PolarHBondContact O-N 3.19Å; E510-A513 WeakPolarHBondContact O-CB 3.18Å; E510-A513 PolarHBondContact O-N 2.93Å; A513-I516 PolarHBondContact O-N 3.37Å; A513-L517 WeakPolarHBondContact O-CB 3.49Å; A513-L517 PolarHBondContact O-N 3.11Å; A513-L517 VanDerWaalsContact O-N 3.07Å
514D83.3Confident81.2Confident83 Ų8362.7 Ų62.744%0.44431%0.311SS..Hα-helixtrans-62.2-50.6175.7-73.1-19.4000111.4E510 F511 W512 I516 L517 L518E510-D514 PolarHBondContact O-N 2.93Å; F511-D514 PolarHBondContact O-N 3.12Å; W512-D514 VanDerWaalsContact C-N 3.32Å; W512-D514 PolarHBondContact O-N 2.86Å; D514-I516 VanDerWaalsContact C-N 3.32Å; D514-I516 PolarHBondContact O-N 3.41Å; D514-L517 PolarHBondContact O-N 2.52Å; D514-L518 VanDerWaalsContact O-CG 3.3Å; D514-L518 WeakPolarHBondContact O-CG 3.43Å; D514-L518 PolarHBondContact O-N 3.15Å
515Q81.5Confident80Confident0 Ų070.2 Ų70.20%034%0.338CS..Hα-helixtrans-62.1-36.9-179.8-71.1-58.7-38.900112.6F511 W512 L518 W519 I532 L536F511-Q515 HydrophobicContact CD1-CG 4.07Å; F511-Q515 HydrophobicContact CD2-CG 4.25Å; F511-Q515 HydrophobicContact CE1-CG 3.65Å; F511-Q515 HydrophobicContact CE2-CG 3.84Å; F511-Q515 VanDerWaalsContact CE2-NE2 3.3Å; F511-Q515 HydrophobicContact CG-CG 4.37Å; F511-Q515 HydrophobicContact CZ-CG 3.52Å; F511-Q515 WeakPolarHBondContact O-CB 3.44Å; F511-Q515 VanDerWaalsContact O-CG 3.25Å; F511-Q515 WeakPolarHBondContact O-CG 3.33Å; F511-Q515 PolarHBondContact O-N 3.02Å; W512-Q515 PolarHBondContact O-N 3.06Å; Q515-L518 WeakPolarHBondContact O-CB 3.35Å; Q515-L518 PolarHBondContact O-N 3.09Å; Q515-W519 VanDerWaalsContact O-CB 3.32Å; Q515-W519 WeakPolarHBondContact O-CB 3.34Å; Q515-W519 PolarHBondContact O-N 2.85Å; Q515-I532 HydrophobicContact CB-CG2 4.45Å; Q515-L536 HydrophobicContact CB-CD2 3.71Å; Q515-L536 HydrophobicContact CB-CG 4.28Å; Q515-L536 HydrophobicContact CG-CD2 4.43Å
516I81.9Confident78.6Confident47 Ų4776.2 Ų76.224%0.24137%0.371CS..Hα-helixtrans-68.1-40.7175.9-77.2-175.9000112.1W512 A513 D514 L518 W519 R520W512-I516 HydrophobicContact CD2-CD1 3.58Å; W512-I516 HydrophobicContact CD2-CG1 4.36Å; W512-I516 HydrophobicContact CE3-CD1 3.96Å; W512-I516 HydrophobicContact CG-CD1 4.32Å; W512-I516 HydrophobicContact CH2-CD1 3.44Å; W512-I516 VanDerWaalsContact CH2-CD1 3.44Å; W512-I516 HydrophobicContact CZ2-CD1 3.01Å; W512-I516 HydrophobicContact CZ2-CG1 4.41Å; W512-I516 HydrophobicContact CZ3-CD1 3.89Å; W512-I516 WeakPolarHBondContact O-CB 3.34Å; W512-I516 WeakPolarHBondContact O-CG1 3.35Å; W512-I516 PolarHBondContact O-N 2.69Å; A513-I516 PolarHBondContact O-N 3.37Å; D514-I516 VanDerWaalsContact C-N 3.32Å; D514-I516 PolarHBondContact O-N 3.41Å; I516-L518 PolarHBondContact O-N 3.15Å; I516-W519 PolarHBondContact O-N 3.45Å; I516-R520 WeakPolarHBondContact O-CB 3.29Å; I516-R520 PolarHBondContact O-N 3.1Å
517L80.2Confident77.7Confident79 Ų7983.8 Ų83.841%0.41441%0.406SS..Hα-helixtrans-64.1-35.5177.2179.5149.3000110.7A513 D514 R521A513-L517 WeakPolarHBondContact O-CB 3.49Å; A513-L517 PolarHBondContact O-N 3.11Å; A513-L517 VanDerWaalsContact O-N 3.07Å; D514-L517 PolarHBondContact O-N 2.52Å; L517-R521 WeakPolarHBondContact O-CG 3.42Å; L517-R521 PolarHBondContact O-N 3.07Å
518L77.1Confident76.8Confident16 Ų1684 Ų848%0.08441%0.408CS..Hα-helixtrans-67-51171-65.9174.2000112.4D514 Q515 I516 R520 R521 T522 Y622D514-L518 VanDerWaalsContact O-CG 3.3Å; D514-L518 WeakPolarHBondContact O-CG 3.43Å; D514-L518 PolarHBondContact O-N 3.15Å; Q515-L518 WeakPolarHBondContact O-CB 3.35Å; Q515-L518 PolarHBondContact O-N 3.09Å; I516-L518 PolarHBondContact O-N 3.15Å; L518-R520 PolarHBondContact O-N 3.48Å; L518-R521 WeakPolarHBondContact O-CA 3.39Å; L518-R521 WeakPolarHBondContact O-CB 3.4Å; L518-R521 PolarHBondContact O-N 3.23Å; L518-T522 PolarHBondContact O-N 3.42Å; L518-T522 PolarHBondContact O-OG1 3.23Å; L518-Y622 HydrophobicContact CD1-CD2 3.43Å; L518-Y622 VanDerWaalsContact CD1-CD2 3.43Å; L518-Y622 HydrophobicContact CD1-CE1 4.47Å; L518-Y622 HydrophobicContact CD1-CE2 3.29Å; L518-Y622 HydrophobicContact CD1-CG 4.1Å; L518-Y622 HydrophobicContact CD2-CD2 4.34Å; L518-Y622 HydrophobicContact CD2-CE1 4.48Å; L518-Y622 HydrophobicContact CD2-CE2 3.33Å; L518-Y622 VanDerWaalsContact CD2-CZ 3.43Å; L518-Y622 WeakPolarHBondContact CD2-OH 3.42Å; L518-Y622 HydrophobicContact CG-CD2 4.48Å; L518-Y622 HydrophobicContact CG-CE2 3.9Å
519W76.5Confident76Confident111 Ų11185.2 Ų85.242%0.4241%0.414SS..Hα-helixtrans-52.5-40.5177.5-17395.8000111.7Q515 I516 R521 T522 H529 I532 D533Q515-W519 VanDerWaalsContact O-CB 3.32Å; Q515-W519 WeakPolarHBondContact O-CB 3.34Å; Q515-W519 PolarHBondContact O-N 2.85Å; I516-W519 PolarHBondContact O-N 3.45Å; W519-R521 PolarHBondContact O-N 2.94Å; W519-T522 PolarHBondContact O-N 3.45Å; W519-T522 PolarHBondContact O-OG1 3.38Å; W519-H529 AromaticContact CD1-CE1 3.79Å; W519-H529 AromaticContact CD1-ND1 3.3Å; W519-H529 VanDerWaalsContact CD1-ND1 3.3Å; W519-H529 AromaticContact CD2-CE1 3.89Å; W519-H529 AromaticContact CE2-CE1 3.73Å; W519-H529 AromaticContact CE2-ND1 3.49Å; W519-H529 AromaticContact CG-CE1 3.92Å; W519-H529 AromaticContact CG-ND1 3.88Å; W519-H529 AromaticContact NE1-CE1 3.71Å; W519-H529 AromaticContact NE1-ND1 3.06Å; W519-H529 PolarHBondContact NE1-ND1 3.26Å; W519-H529 PolarHBondContact O-CE1 3.38Å; W519-H529 VanDerWaalsContact O-CE1 3.25Å; W519-I532 HydrophobicContact CB-CG2 4.12Å; W519-I532 HydrophobicContact CG-CG2 4.42Å; W519-D533 PolarHBondContact NE1-OD1 3.33Å; W519-D533 VanDerWaalsContact NE1-OD1 3.16Å
520R79.7Confident75.3Confident186 Ų18685 Ų8570%0.70242%0.421SS*.Hα-helixtrans-68.8-30.2176.1-170.1179.5-66.6-1780.5113.4I516 L518 S523I516-R520 WeakPolarHBondContact O-CB 3.29Å; I516-R520 PolarHBondContact O-N 3.1Å; L518-R520 PolarHBondContact O-N 3.48Å; R520-S523 PolarHBondContact O-OG 3.18Å
521R76.8Confident74.8Confident181 Ų18183.7 Ų83.768%0.68342%0.421SS*.Hα-helixtrans-80.7-24.1178.8-74.2174.8-179.7176.31.4112.9L517 L518 W519L517-R521 WeakPolarHBondContact O-CG 3.42Å; L517-R521 PolarHBondContact O-N 3.07Å; L518-R521 WeakPolarHBondContact O-CA 3.39Å; L518-R521 WeakPolarHBondContact O-CB 3.4Å; L518-R521 PolarHBondContact O-N 3.23Å; W519-R521 PolarHBondContact O-N 2.94Å
522T70.1Confident74.4Confident21 Ų2183.7 Ų83.713%0.12942%0.421CS..  trans-101.119.8-168.4540000115L518 W519 A524 R525 L528 H529L518-T522 PolarHBondContact O-N 3.42Å; L518-T522 PolarHBondContact O-OG1 3.23Å; W519-T522 PolarHBondContact O-N 3.45Å; W519-T522 PolarHBondContact O-OG1 3.38Å; T522-A524 PolarHBondContact O-N 3.21Å; T522-R525 PolarHBondContact O-N 3.48Å; T522-L528 HydrophobicContact CG2-CD2 3.41Å; T522-L528 VanDerWaalsContact CG2-CD2 3.41Å; T522-H529 VanDerWaalsContact C-NE2 3.32Å; T522-H529 PolarHBondContact O-NE2 2.97Å; T522-H529 VanDerWaalsContact O-NE2 3.11Å
523S63Low74Confident91 Ų9181.5 Ų81.564%0.63642%0.419SS*.THydrogen-bonded Turntrans-48.6-15.2-173.3-59.50000117.2R520 H529R520-S523 PolarHBondContact O-OG 3.18Å; S523-H529 WeakPolarHBondContact CA-NE2 3.29Å
524A60.4Low73.9Confident99 Ų9984 Ų8482%0.81842%0.422SS*.THydrogen-bonded Turntrans-97-4.8179.700000115.4T522T522-A524 PolarHBondContact O-N 3.21Å
525R63.4Low73.9Confident163 Ų16381 Ų8162%0.61540%0.404SS*.  trans-117.689.8-175.4-72.1-173179.2-176.7-0.5112.9T522 Q527 L528 H529T522-R525 PolarHBondContact O-N 3.48Å; R525-Q527 VanDerWaalsContact C-N 3.32Å; R525-Q527 PolarHBondContact O-N 2.9Å; R525-L528 HydrophobicContact CB-CB 4.05Å; R525-L528 PolarHBondContact O-N 3.06Å; R525-L528 VanDerWaalsContact O-N 3.08Å; R525-H529 PolarHBondContact O-CD2 3.4Å; R525-H529 PolarHBondContact O-N 2.92Å
526N61.8Low74.1Confident139 Ų13982.4 Ų82.474%0.74341%0.412SS*.Hα-helixtrans-53.3-40.2-177.8-69.4-6.2000114.7L528 H529 S530N526-L528 VanDerWaalsContact C-N 3.34Å; N526-L528 PolarHBondContact O-N 2.73Å; N526-H529 PolarHBondContact O-N 2.89Å; N526-S530 PolarHBondContact O-N 3.28Å
527Q67Low74.3Confident172 Ų17283.4 Ų83.480%0.80442%0.417SS*.Hα-helixtrans-63.9-39.5179.4-73175.6-14.200112.2R525 H529 S530 C531R525-Q527 VanDerWaalsContact C-N 3.32Å; R525-Q527 PolarHBondContact O-N 2.9Å; Q527-H529 VanDerWaalsContact C-N 3.34Å; Q527-S530 PolarHBondContact O-N 3.4Å; Q527-C531 PolarHBondContact O-N 3.31Å
528L66.9Low74.6Confident29 Ų2980.2 Ų80.215%0.15240%0.401CS..Hα-helixtrans-69.7-35.4-179.8-165.575.7000111.5T522 R525 N526 S530 C531 I532T522-L528 HydrophobicContact CG2-CD2 3.41Å; T522-L528 VanDerWaalsContact CG2-CD2 3.41Å; R525-L528 HydrophobicContact CB-CB 4.05Å; R525-L528 PolarHBondContact O-N 3.06Å; R525-L528 VanDerWaalsContact O-N 3.08Å; N526-L528 VanDerWaalsContact C-N 3.34Å; N526-L528 PolarHBondContact O-N 2.73Å; L528-S530 VanDerWaalsContact C-N 3.34Å; L528-S530 PolarHBondContact O-N 2.81Å; L528-C531 PolarHBondContact O-N 2.68Å; L528-I532 HydrophobicContact CD2-CD1 4.33Å; L528-I532 HydrophobicContact CG-CD1 4.06Å; L528-I532 VanDerWaalsContact O-CG1 3.26Å; L528-I532 WeakPolarHBondContact O-CG1 3.36Å; L528-I532 PolarHBondContact O-N 3.32Å
529H72.6Confident75.2Confident26 Ų2681.2 Ų81.212%0.1240%0.404CS..Hα-helixtrans-58.3-46.3173.2-84.5-88000111.3W519 T522 S523 R525 N526 Q527 C531 I532 D533W519-H529 AromaticContact CD1-CE1 3.79Å; W519-H529 AromaticContact CD1-ND1 3.3Å; W519-H529 VanDerWaalsContact CD1-ND1 3.3Å; W519-H529 AromaticContact CD2-CE1 3.89Å; W519-H529 AromaticContact CE2-CE1 3.73Å; W519-H529 AromaticContact CE2-ND1 3.49Å; W519-H529 AromaticContact CG-CE1 3.92Å; W519-H529 AromaticContact CG-ND1 3.88Å; W519-H529 AromaticContact NE1-CE1 3.71Å; W519-H529 AromaticContact NE1-ND1 3.06Å; W519-H529 PolarHBondContact NE1-ND1 3.26Å; W519-H529 PolarHBondContact O-CE1 3.38Å; W519-H529 VanDerWaalsContact O-CE1 3.25Å; T522-H529 VanDerWaalsContact C-NE2 3.32Å; T522-H529 PolarHBondContact O-NE2 2.97Å; T522-H529 VanDerWaalsContact O-NE2 3.11Å; S523-H529 WeakPolarHBondContact CA-NE2 3.29Å; R525-H529 PolarHBondContact O-CD2 3.4Å; R525-H529 PolarHBondContact O-N 2.92Å; N526-H529 PolarHBondContact O-N 2.89Å; Q527-H529 VanDerWaalsContact C-N 3.34Å; H529-C531 VanDerWaalsContact C-N 3.33Å; H529-C531 PolarHBondContact O-N 3.23Å; H529-I532 PolarHBondContact O-N 2.9Å; H529-I532 VanDerWaalsContact O-N 3.13Å; H529-D533 WeakPolarHBondContact O-CB 3.35Å; H529-D533 PolarHBondContact O-N 2.98Å
530S73.8Confident75.7Confident76 Ų7677.7 Ų77.753%0.53140%0.396SS..Hα-helixtrans-58.3-42178.3-174.60000112.9N526 Q527 L528 D533 Q534N526-S530 PolarHBondContact O-N 3.28Å; Q527-S530 PolarHBondContact O-N 3.4Å; L528-S530 VanDerWaalsContact C-N 3.34Å; L528-S530 PolarHBondContact O-N 2.81Å; S530-D533 PolarHBondContact O-N 3.05Å; S530-Q534 PolarHBondContact O-N 3.39Å; S530-Q534 VanDerWaalsContact O-N 3.08Å
531C75.5Confident76.1Confident62 Ų6269.3 Ų69.342%0.41937%0.365SS..Hα-helixtrans-69.4-36.3177-61.50000112.8Q527 L528 H529 R535Q527-C531 PolarHBondContact O-N 3.31Å; L528-C531 PolarHBondContact O-N 2.68Å; H529-C531 VanDerWaalsContact C-N 3.33Å; H529-C531 PolarHBondContact O-N 3.23Å; C531-R535 WeakPolarHBondContact O-CG 3.47Å; C531-R535 PolarHBondContact O-N 3.01Å; C531-R535 PolarHBondContact O-NE 3.38Å
532I77.2Confident76.8Confident2 Ų260.7 Ų60.71%0.0133%0.332CS..Hα-helixtrans-66.8-44.2175-65.5163.6000110Q515 W519 L528 H529 Q534 R535 L536Q515-I532 HydrophobicContact CB-CG2 4.45Å; W519-I532 HydrophobicContact CB-CG2 4.12Å; W519-I532 HydrophobicContact CG-CG2 4.42Å; L528-I532 HydrophobicContact CD2-CD1 4.33Å; L528-I532 HydrophobicContact CG-CD1 4.06Å; L528-I532 VanDerWaalsContact O-CG1 3.26Å; L528-I532 WeakPolarHBondContact O-CG1 3.36Å; L528-I532 PolarHBondContact O-N 3.32Å; H529-I532 PolarHBondContact O-N 2.9Å; H529-I532 VanDerWaalsContact O-N 3.13Å; I532-Q534 VanDerWaalsContact C-N 3.34Å; I532-Q534 PolarHBondContact O-N 2.75Å; I532-R535 PolarHBondContact O-N 3.16Å; I532-L536 HydrophobicContact CG2-CD1 3.8Å; I532-L536 HydrophobicContact CG2-CG 4.16Å; I532-L536 WeakPolarHBondContact O-CB 3.01Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.26Å
533D81Confident77.7Confident79 Ų7959.9 Ų59.942%0.42233%0.328SS..Hα-helixtrans-61.3-42.2-180-64.8-20.1000111W519 H529 S530 R535 L536 L537W519-D533 PolarHBondContact NE1-OD1 3.33Å; W519-D533 VanDerWaalsContact NE1-OD1 3.16Å; H529-D533 WeakPolarHBondContact O-CB 3.35Å; H529-D533 PolarHBondContact O-N 2.98Å; S530-D533 PolarHBondContact O-N 3.05Å; D533-R535 PolarHBondContact O-N 3.36Å; D533-L536 PolarHBondContact O-N 2.83Å; D533-L537 WeakPolarHBondContact O-CB 3.32Å; D533-L537 PolarHBondContact O-N 2.97Å
534Q82.5Confident79Confident101 Ų10158 Ų5847%0.47231%0.309SS..Hα-helixtrans-62-43.6174.5-172.8-179.5-4.100112.2S530 I532 L537 V538S530-Q534 PolarHBondContact O-N 3.39Å; S530-Q534 VanDerWaalsContact O-N 3.08Å; I532-Q534 VanDerWaalsContact C-N 3.34Å; I532-Q534 PolarHBondContact O-N 2.75Å; Q534-L537 WeakPolarHBondContact O-CB 3.41Å; Q534-L537 PolarHBondContact O-N 2.97Å; Q534-V538 WeakPolarHBondContact O-CG2 3.33Å; Q534-V538 PolarHBondContact O-N 3.39Å
535R83.4Confident80.3Confident20 Ų2053.8 Ų53.88%0.07527%0.272CS..Hα-helixtrans-64.7-41.1176.9-74.1-177.7-69-175.6-2.8112.1F511 C531 I532 D533 L537 R539 F614F511-R535 HydrophobicContact CZ-CB 4.44Å; C531-R535 WeakPolarHBondContact O-CG 3.47Å; C531-R535 PolarHBondContact O-N 3.01Å; C531-R535 PolarHBondContact O-NE 3.38Å; I532-R535 PolarHBondContact O-N 3.16Å; D533-R535 PolarHBondContact O-N 3.36Å; R535-L537 VanDerWaalsContact C-N 3.32Å; R535-R539 WeakPolarHBondContact O-CB 3.46Å; R535-R539 PolarHBondContact O-N 3.44Å; R535-F614 HydrophobicContact CB-CZ 4.26Å; R535-F614 HydrophobicContact CG-CZ 4.41Å
536L85.8Confident81.6Confident31 Ų3146.2 Ų46.216%0.16224%0.244CC..Hα-helixtrans-65-37175.8-72.9174.8000111.7Q515 I532 D533 S540Q515-L536 HydrophobicContact CB-CD2 3.71Å; Q515-L536 HydrophobicContact CB-CG 4.28Å; Q515-L536 HydrophobicContact CG-CD2 4.43Å; I532-L536 HydrophobicContact CG2-CD1 3.8Å; I532-L536 HydrophobicContact CG2-CG 4.16Å; I532-L536 WeakPolarHBondContact O-CB 3.01Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.26Å; D533-L536 PolarHBondContact O-N 2.83Å; L536-S540 WeakPolarHBondContact O-CB 3.47Å; L536-S540 PolarHBondContact O-N 2.63Å
537L86.9Confident83Confident67 Ų6742.6 Ų42.635%0.35122%0.224SC..Hα-helixtrans-62.6-54.9175.1-178.564.3000110.7D533 Q534 R535 R539 S540 H541 L729D533-L537 WeakPolarHBondContact O-CB 3.32Å; D533-L537 PolarHBondContact O-N 2.97Å; Q534-L537 WeakPolarHBondContact O-CB 3.41Å; Q534-L537 PolarHBondContact O-N 2.97Å; R535-L537 VanDerWaalsContact C-N 3.32Å; L537-R539 VanDerWaalsContact C-N 3.3Å; L537-R539 PolarHBondContact O-N 3.11Å; L537-S540 WeakPolarHBondContact O-CA 3.48Å; L537-S540 WeakPolarHBondContact O-CB 3.43Å; L537-S540 PolarHBondContact O-N 3.42Å; L537-S540 PolarHBondContact O-OG 3.32Å; L537-H541 PolarHBondContact O-CD2 3.28Å; L537-H541 PolarHBondContact O-N 2.96Å; L537-H541 VanDerWaalsContact O-N 3.16Å; L537-L729 HydrophobicContact CD2-CD2 4.32Å
538V86.2Confident84Confident12 Ų1235 Ų357%0.07319%0.19CC..Hα-helixtrans-54.9-46.4177.1171.70000111.1Q534 S540 H541 M542 F614 V646Q534-V538 WeakPolarHBondContact O-CG2 3.33Å; Q534-V538 PolarHBondContact O-N 3.39Å; V538-S540 VanDerWaalsContact C-N 3.28Å; V538-S540 PolarHBondContact O-N 2.94Å; V538-H541 WeakPolarHBondContact O-CB 3.43Å; V538-H541 PolarHBondContact O-N 3.32Å; V538-M542 HydrophobicContact CG1-CE 3.71Å; V538-M542 HydrophobicContact CG1-SD 4.18Å; V538-M542 WeakPolarHBondContact O-CG 3.49Å; V538-M542 PolarHBondContact O-N 2.9Å; V538-F614 HydrophobicContact CB-CE2 4.38Å; V538-F614 HydrophobicContact CB-CZ 4.04Å; V538-F614 HydrophobicContact CG1-CD2 4.37Å; V538-F614 HydrophobicContact CG1-CE1 4.26Å; V538-F614 HydrophobicContact CG1-CE2 3.89Å; V538-F614 HydrophobicContact CG1-CZ 3.83Å; V538-V646 HydrophobicContact CG1-CG1 4.1Å; V538-V646 HydrophobicContact CG1-CG2 3.65Å; V538-V646 HydrophobicContact CG2-CG1 3.99Å; V538-V646 HydrophobicContact CG2-CG2 4.21Å
539R88.7Confident85Confident37 Ų3734.1 Ų34.114%0.1419%0.186CC..Hα-helixtrans-59.6-38.6175.8-174.5-117.376.4115.4-1.3112.3L508 F511 R535 L537 H541 M542 A543 F614L508-R539 HydrophobicContact CB-CG 4.35Å; L508-R539 HydrophobicContact CD2-CG 3.95Å; L508-R539 WeakPolarHBondContact O-CD 3.44Å; L508-R539 PolarHBondContact O-NH1 2.67Å; F511-R539 HydrophobicContact CD1-CB 4.42Å; F511-R539 HydrophobicContact CD1-CG 4.08Å; F511-R539 HydrophobicContact CE1-CB 4.45Å; R535-R539 WeakPolarHBondContact O-CB 3.46Å; R535-R539 PolarHBondContact O-N 3.44Å; L537-R539 VanDerWaalsContact C-N 3.3Å; L537-R539 PolarHBondContact O-N 3.11Å; R539-H541 VanDerWaalsContact C-N 3.32Å; R539-H541 PolarHBondContact O-N 3.32Å; R539-M542 PolarHBondContact O-N 3.41Å; R539-A543 WeakPolarHBondContact O-CB 3.23Å; R539-A543 PolarHBondContact O-N 2.99Å; R539-F614 HydrophobicContact CB-CE1 4.11Å
540S88Confident85.8Confident37 Ų3734.8 Ų34.826%0.25919%0.189SC..Hα-helixtrans-62.8-40.2178.777.30000111.9L536 L537 V538 F544L536-S540 WeakPolarHBondContact O-CB 3.47Å; L536-S540 PolarHBondContact O-N 2.63Å; L537-S540 WeakPolarHBondContact O-CA 3.48Å; L537-S540 WeakPolarHBondContact O-CB 3.43Å; L537-S540 PolarHBondContact O-N 3.42Å; L537-S540 PolarHBondContact O-OG 3.32Å; V538-S540 VanDerWaalsContact C-N 3.28Å; V538-S540 PolarHBondContact O-N 2.94Å; S540-F544 WeakPolarHBondContact O-CB 3.37Å; S540-F544 PolarHBondContact O-N 2.83Å
541H87.8Confident86.5Confident10 Ų1036.5 Ų36.55%0.04618%0.184CC..Hα-helixtrans-64.4-43.6171.7-63-74.6000112.8L537 V538 R539 F544 I545 Y650 Y722L537-H541 PolarHBondContact O-CD2 3.28Å; L537-H541 PolarHBondContact O-N 2.96Å; L537-H541 VanDerWaalsContact O-N 3.16Å; V538-H541 WeakPolarHBondContact O-CB 3.43Å; V538-H541 PolarHBondContact O-N 3.32Å; R539-H541 VanDerWaalsContact C-N 3.32Å; R539-H541 PolarHBondContact O-N 3.32Å; H541-F544 PolarHBondContact O-N 2.99Å; H541-I545 PolarHBondContact O-N 2.89Å; H541-Y650 HydrophobicContact CB-CE1 4.31Å; H541-Y650 PolarHBondContact CD2-OH 3.26Å; H541-Y722 AromaticContact CE1-CE1 3.4Å; H541-Y722 WeakPolarHBondContact CE1-CE1 3.35Å; H541-Y722 AromaticContact CE1-CE2 3.5Å; H541-Y722 AromaticContact CE1-CZ 3.06Å; H541-Y722 PolarHBondContact CE1-OH 2.98Å; H541-Y722 AromaticContact ND1-CE2 3.46Å; H541-Y722 WeakPolarHBondContact ND1-CE2 3.49Å; H541-Y722 AromaticContact ND1-CZ 3.36Å; H541-Y722 PolarHBondContact ND1-OH 3.3Å
542M90.4Very high87.1Confident0 Ų033.6 Ų33.60%016%0.164CC..Hα-helixtrans-61.2-46.7177.2-71.8177.1174.100112L508 V538 R539 F544 I545 I546 C611 F614 M645 F649L508-M542 HydrophobicContact CD1-CB 3.9Å; L508-M542 HydrophobicContact CD2-CB 4.34Å; L508-M542 HydrophobicContact CD2-SD 4.31Å; V538-M542 HydrophobicContact CG1-CE 3.71Å; V538-M542 HydrophobicContact CG1-SD 4.18Å; V538-M542 WeakPolarHBondContact O-CG 3.49Å; V538-M542 PolarHBondContact O-N 2.9Å; R539-M542 PolarHBondContact O-N 3.41Å; M542-F544 VanDerWaalsContact C-N 3.35Å; M542-I545 PolarHBondContact O-N 3.23Å; M542-I546 WeakPolarHBondContact O-CG1 3.27Å; M542-I546 PolarHBondContact O-N 2.94Å; M542-C611 HydrophobicContact SD-CB 4.39Å; M542-F614 HydrophobicContact CE-CB 3.73Å; M542-F614 HydrophobicContact CE-CD1 4.04Å; M542-F614 HydrophobicContact CE-CD2 4.27Å; M542-F614 HydrophobicContact CE-CG 3.73Å; M542-F614 HydrophobicContact SD-CB 3.97Å; M542-F614 HydrophobicContact SD-CD1 3.52Å; M542-F614 VanDerWaalsContact SD-CD1 3.52Å; M542-F614 HydrophobicContact SD-CE1 4.2Å; M542-F614 HydrophobicContact SD-CG 3.84Å; M542-M645 HydrophobicContact CE-CE 4.11Å; M542-M645 HydrophobicContact CE-SD 4.11Å; M542-F649 HydrophobicContact CB-CE2 4.46Å; M542-F649 HydrophobicContact CB-CZ 4.08Å; M542-F649 HydrophobicContact CE-CB 4.17Å; M542-F649 HydrophobicContact CE-CD1 4.17Å; M542-F649 HydrophobicContact CE-CD2 4.12Å; M542-F649 HydrophobicContact CE-CG 3.87Å; M542-F649 HydrophobicContact CG-CD1 4.1Å; M542-F649 HydrophobicContact CG-CD2 4.21Å; M542-F649 HydrophobicContact CG-CE1 3.69Å; M542-F649 HydrophobicContact CG-CE2 3.82Å; M542-F649 HydrophobicContact CG-CG 4.35Å; M542-F649 HydrophobicContact CG-CZ 3.55Å
543A90.5Very high87.7Confident4 Ų433.6 Ų33.63%0.03316%0.164CC..Hα-helixtrans-64.3-40.1178.100000111.6L508 R539 I545 I546 D547L508-A543 HydrophobicContact CD1-CB 4.39Å; R539-A543 WeakPolarHBondContact O-CB 3.23Å; R539-A543 PolarHBondContact O-N 2.99Å; A543-I545 VanDerWaalsContact C-N 3.31Å; A543-I545 PolarHBondContact O-N 3.08Å; A543-I546 PolarHBondContact O-N 3.23Å; A543-I546 VanDerWaalsContact O-N 3.14Å; A543-D547 VanDerWaalsContact O-CB 3.27Å; A543-D547 WeakPolarHBondContact O-CB 3.17Å; A543-D547 PolarHBondContact O-N 2.96Å
544F89.2Confident88.2Confident53 Ų5331.5 Ų31.523%0.23215%0.152CC..Hα-helixtrans-55-44.6177.7176.7-100.1000112.8S540 H541 M542 S548 R715 F718S540-F544 WeakPolarHBondContact O-CB 3.37Å; S540-F544 PolarHBondContact O-N 2.83Å; H541-F544 PolarHBondContact O-N 2.99Å; M542-F544 VanDerWaalsContact C-N 3.35Å; F544-S548 VanDerWaalsContact O-CB 3.23Å; F544-S548 WeakPolarHBondContact O-CB 3.29Å; F544-S548 PolarHBondContact O-N 3.42Å; F544-S548 PolarHBondContact O-OG 3.46Å; F544-R715 WeakPolarHBondContact CE1-O 3.49Å; F544-R715 WeakPolarHBondContact CZ-O 3.05Å; F544-F718 HydrophobicContact CD1-CD1 4.5Å; F544-F718 AromaticContact CD1-CE1 3.89Å; F544-F718 HydrophobicContact CD1-CE1 3.89Å; F544-F718 HydrophobicContact CD1-CZ 4.03Å; F544-F718 HydrophobicContact CE1-CE1 4.31Å; F544-F718 HydrophobicContact CE1-CZ 4.48Å
545I88.2Confident88.4Confident9 Ų929.8 Ų29.85%0.04615%0.148CC..Hα-helixtrans-65.4-46.3177.3-69.3163.8000110.9H541 M542 A543 S548 L549 F649 A653 L716 F718H541-I545 PolarHBondContact O-N 2.89Å; M542-I545 PolarHBondContact O-N 3.23Å; A543-I545 VanDerWaalsContact C-N 3.31Å; A543-I545 PolarHBondContact O-N 3.08Å; I545-S548 PolarHBondContact O-N 2.77Å; I545-L549 WeakPolarHBondContact O-CB 3.46Å; I545-L549 PolarHBondContact O-N 3.3Å; I545-F649 HydrophobicContact CD1-CE1 3.95Å; I545-F649 HydrophobicContact CD1-CZ 3.51Å; I545-A653 HydrophobicContact CD1-CB 3.7Å; I545-L716 HydrophobicContact CB-CD2 4.47Å; I545-L716 HydrophobicContact CG1-CD2 4.27Å; I545-L716 HydrophobicContact CG2-CD2 4.21Å; I545-F718 HydrophobicContact CD1-CE2 3.81Å; I545-F718 HydrophobicContact CD1-CZ 3.49Å; I545-F718 VanDerWaalsContact CD1-CZ 3.49Å; I545-F718 HydrophobicContact CG1-CE2 3.86Å; I545-F718 HydrophobicContact CG1-CZ 3.52Å
546I90.5Very high88.3Confident5 Ų529.5 Ų29.53%0.02615%0.148CC..Hα-helixtrans-67.6-43.5-176.5-68.4179.3000111.3I501 T504 Q505 L508 M542 A543 S548 L549 Q550 L608 C611I501-I546 HydrophobicContact CG2-CG2 4.03Å; T504-I546 HydrophobicContact CG2-CD1 3.35Å; Q505-I546 HydrophobicContact CB-CG2 3.7Å; Q505-I546 HydrophobicContact CG-CG2 4.21Å; L508-I546 HydrophobicContact CD1-CD1 3.68Å; M542-I546 WeakPolarHBondContact O-CG1 3.27Å; M542-I546 PolarHBondContact O-N 2.94Å; A543-I546 PolarHBondContact O-N 3.23Å; A543-I546 VanDerWaalsContact O-N 3.14Å; I546-S548 VanDerWaalsContact C-N 3.34Å; I546-L549 PolarHBondContact O-N 3.31Å; I546-Q550 WeakPolarHBondContact O-CB 3.46Å; I546-Q550 PolarHBondContact O-N 2.89Å; I546-L608 HydrophobicContact CD1-CD2 3.93Å; I546-L608 HydrophobicContact CG1-CD2 4.09Å; I546-C611 HydrophobicContact CD1-CB 4.21Å
547D90.3Very high88.4Confident62 Ų6228 Ų2833%0.33214%0.141SC..Hα-helixtrans-63.8-41.7177.2-68-26.8000110.4Q505 A543 L549 Q550 Y551Q505-D547 WeakPolarHBondContact CG-OD1 3.36Å; Q505-D547 PolarHBondContact NE2-OD1 3.33Å; A543-D547 VanDerWaalsContact O-CB 3.27Å; A543-D547 WeakPolarHBondContact O-CB 3.17Å; A543-D547 PolarHBondContact O-N 2.96Å; D547-L549 PolarHBondContact O-N 3.38Å; D547-Q550 PolarHBondContact O-N 3.14Å; D547-Y551 WeakPolarHBondContact O-CB 3.44Å; D547-Y551 PolarHBondContact O-N 3.01Å
548S88Confident88.6Confident12 Ų1225.2 Ų25.28%0.08413%0.126CC..Hα-helixtrans-62.5-42.3175-64.30000112.3F544 I545 I546 Y552F544-S548 VanDerWaalsContact O-CB 3.23Å; F544-S548 WeakPolarHBondContact O-CB 3.29Å; F544-S548 PolarHBondContact O-N 3.42Å; F544-S548 PolarHBondContact O-OG 3.46Å; I545-S548 PolarHBondContact O-N 2.77Å; I546-S548 VanDerWaalsContact C-N 3.34Å; S548-Y552 WeakPolarHBondContact O-CB 3.36Å; S548-Y552 PolarHBondContact O-N 3.31Å
549L89.1Confident88.8Confident12 Ų1228.5 Ų28.56%0.06314%0.141CC..Hα-helixtrans-66.4-46176.7-177.967.4000111.4I501 I545 I546 D547 Y551 Y552 L553 I604I501-L549 HydrophobicContact CD1-CD2 3.57Å; I501-L549 HydrophobicContact CD1-CG 4.11Å; I501-L549 HydrophobicContact CG1-CD2 3.97Å; I501-L549 HydrophobicContact CG2-CD2 4.31Å; I545-L549 WeakPolarHBondContact O-CB 3.46Å; I545-L549 PolarHBondContact O-N 3.3Å; I546-L549 PolarHBondContact O-N 3.31Å; D547-L549 PolarHBondContact O-N 3.38Å; L549-Y551 VanDerWaalsContact C-N 3.35Å; L549-Y551 PolarHBondContact O-N 2.94Å; L549-Y552 PolarHBondContact O-N 3.31Å; L549-L553 HydrophobicContact CD1-CD1 4.17Å; L549-L553 HydrophobicContact CD1-CG 4.4Å; L549-L553 HydrophobicContact CG-CD1 3.95Å; L549-L553 WeakPolarHBondContact O-CB 3.48Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 2.9Å; L549-I604 HydrophobicContact CD1-CD1 4.28Å; L549-I604 HydrophobicContact CD2-CD1 4.48Å; L549-I604 HydrophobicContact CD2-CG2 3.69Å
550Q89.6Confident88.7Confident40 Ų4027.9 Ų27.919%0.18714%0.143CC..Hα-helixtrans-61.9-44.7178.8-169.9-164.210.500111I501 R502 I546 D547 L553 Q554I501-Q550 HydrophobicContact CG2-CB 4.38Å; R502-Q550 VanDerWaalsContact NH1-NE2 3.15Å; I546-Q550 WeakPolarHBondContact O-CB 3.46Å; I546-Q550 PolarHBondContact O-N 2.89Å; D547-Q550 PolarHBondContact O-N 3.14Å; Q550-L553 PolarHBondContact O-N 2.84Å; Q550-Q554 HydrophobicContact CG-CG 4.31Å; Q550-Q554 WeakPolarHBondContact O-CB 3.34Å; Q550-Q554 WeakPolarHBondContact O-CG 3.39Å; Q550-Q554 PolarHBondContact O-N 3.46Å
551Y88.6Confident88.7Confident112 Ų11226.9 Ų26.944%0.43914%0.135SC..Hα-helixtrans-59.8-48.6176.8-176.7-73.1000111D547 L549 L553 Q554 V555D547-Y551 WeakPolarHBondContact O-CB 3.44Å; D547-Y551 PolarHBondContact O-N 3.01Å; L549-Y551 VanDerWaalsContact C-N 3.35Å; L549-Y551 PolarHBondContact O-N 2.94Å; Y551-L553 VanDerWaalsContact C-N 3.32Å; Y551-L553 PolarHBondContact O-N 2.92Å; Y551-Q554 PolarHBondContact O-N 3.4Å; Y551-V555 HydrophobicContact CD1-CB 4.18Å; Y551-V555 HydrophobicContact CD1-CG2 4.33Å; Y551-V555 HydrophobicContact CD2-CG2 4.1Å; Y551-V555 HydrophobicContact CE1-CB 3.77Å; Y551-V555 HydrophobicContact CE1-CG1 4.01Å; Y551-V555 HydrophobicContact CE1-CG2 4.09Å; Y551-V555 HydrophobicContact CE2-CB 4.47Å; Y551-V555 HydrophobicContact CE2-CG2 3.92Å; Y551-V555 HydrophobicContact CG-CG2 4.33Å; Y551-V555 WeakPolarHBondContact O-CB 3.47Å; Y551-V555 PolarHBondContact O-N 2.87Å
552Y87.9Confident88.9Confident0 Ų027 Ų270%014%0.135CC..Iπ-helixtrans-56.3-48178.1167.8-105.6000111.4S548 L549 D556 V557 Q592 L712S548-Y552 WeakPolarHBondContact O-CB 3.36Å; S548-Y552 PolarHBondContact O-N 3.31Å; L549-Y552 PolarHBondContact O-N 3.31Å; Y552-D556 HydrophobicContact CD2-CB 3.96Å; Y552-D556 HydrophobicContact CE2-CB 4.38Å; Y552-D556 WeakPolarHBondContact O-CB 3.49Å; Y552-D556 PolarHBondContact O-N 3.43Å; Y552-D556 VanDerWaalsContact O-N 3.14Å; Y552-V557 HydrophobicContact CD1-CG2 4.22Å; Y552-V557 HydrophobicContact CD2-CG2 4.4Å; Y552-V557 HydrophobicContact CE1-CG2 3.7Å; Y552-V557 HydrophobicContact CE2-CG2 3.9Å; Y552-V557 PolarHBondContact O-N 3.27Å; Y552-Q592 PolarHBondContact OH-O 3.33Å; Y552-L712 HydrophobicContact CD1-CB 4.47Å; Y552-L712 HydrophobicContact CD1-CD1 4.26Å; Y552-L712 HydrophobicContact CD1-CD2 4.08Å; Y552-L712 HydrophobicContact CD2-CB 3.92Å; Y552-L712 HydrophobicContact CE1-CD2 4.22Å; Y552-L712 HydrophobicContact CE2-CB 4.16Å; Y552-L712 HydrophobicContact CG-CB 4.08Å; Y552-L712 HydrophobicContact CG-CD1 3.98Å; Y552-L712 HydrophobicContact CG-CD2 4.45Å; Y552-L712 HydrophobicContact CG-CG 4.39Å
553L89.7Confident88.9Confident2 Ų229.7 Ų29.71%0.0115%0.154CC..Iπ-helixtrans-66-44.6-178.5-68.4171.9000112.1F497 L498 I501 L549 Q550 Y551 V557 I558 A593F497-L553 HydrophobicContact CE1-CD1 3.91Å; F497-L553 HydrophobicContact CE1-CD2 4.47Å; L498-L553 HydrophobicContact CD2-CB 3.99Å; L498-L553 HydrophobicContact CD2-CD1 3.88Å; L498-L553 HydrophobicContact CD2-CG 4.46Å; I501-L553 HydrophobicContact CD1-CD1 3.4Å; L549-L553 HydrophobicContact CD1-CD1 4.17Å; L549-L553 HydrophobicContact CD1-CG 4.4Å; L549-L553 HydrophobicContact CG-CD1 3.95Å; L549-L553 WeakPolarHBondContact O-CB 3.48Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 2.9Å; Q550-L553 PolarHBondContact O-N 2.84Å; Y551-L553 VanDerWaalsContact C-N 3.32Å; Y551-L553 PolarHBondContact O-N 2.92Å; L553-V557 WeakPolarHBondContact O-CB 3.19Å; L553-I558 WeakPolarHBondContact O-CB 3.18Å; L553-I558 WeakPolarHBondContact O-CD1 3.46Å; L553-I558 WeakPolarHBondContact O-CG1 2.95Å; L553-I558 PolarHBondContact O-N 3.03Å; L553-A593 HydrophobicContact CD2-CB 3.78Å
554Q90.4Very high88.8Confident36 Ų3632.7 Ų32.717%0.16817%0.167CC..Iπ-helixtrans-76.1-50-175.9-70.7-65.2-15.400112.8L366 Q550 Y551 E559L366-Q554 PolarHBondContact O-NE2 2.98Å; Q550-Q554 HydrophobicContact CG-CG 4.31Å; Q550-Q554 WeakPolarHBondContact O-CB 3.34Å; Q550-Q554 WeakPolarHBondContact O-CG 3.39Å; Q550-Q554 PolarHBondContact O-N 3.46Å; Y551-Q554 PolarHBondContact O-N 3.4Å; Q554-E559 WeakPolarHBondContact O-CB 3.43Å; Q554-E559 PolarHBondContact O-N 3.26Å
555V86.4Confident88.9Confident64 Ų6430.3 Ų30.339%0.38816%0.157SC..Iπ-helixtrans-88.3-53.1-171.4-177.70000111.5Y551Y551-V555 HydrophobicContact CD1-CB 4.18Å; Y551-V555 HydrophobicContact CD1-CG2 4.33Å; Y551-V555 HydrophobicContact CD2-CG2 4.1Å; Y551-V555 HydrophobicContact CE1-CB 3.77Å; Y551-V555 HydrophobicContact CE1-CG1 4.01Å; Y551-V555 HydrophobicContact CE1-CG2 4.09Å; Y551-V555 HydrophobicContact CE2-CB 4.47Å; Y551-V555 HydrophobicContact CE2-CG2 3.92Å; Y551-V555 HydrophobicContact CG-CG2 4.33Å; Y551-V555 WeakPolarHBondContact O-CB 3.47Å; Y551-V555 PolarHBondContact O-N 2.87Å
556D83.1Confident89Confident14 Ų1431.6 Ų31.68%0.07516%0.163CC..Iπ-helixtrans-76-39.8-174.4-73.5-63.3000111.3Y552 A560 T707 K711 R715Y552-D556 HydrophobicContact CD2-CB 3.96Å; Y552-D556 HydrophobicContact CE2-CB 4.38Å; Y552-D556 WeakPolarHBondContact O-CB 3.49Å; Y552-D556 PolarHBondContact O-N 3.43Å; Y552-D556 VanDerWaalsContact O-N 3.14Å; D556-A560 WeakPolarHBondContact O-CB 3.48Å; D556-T707 WeakPolarHBondContact O-CG2 3.28Å; D556-K711 WeakPolarHBondContact OD1-CD 3.31Å; D556-K711 IonicContact OD1-NZ 3.61Å; D556-K711 PolarHBondContact OD1-NZ 3.2Å; D556-R715 IonicContact OD2-CZ 2.65Å; D556-R715 IonicContact OD2-NH1 3.5Å; D556-R715 PolarHBondContact OD2-NH1 3Å; D556-R715 IonicContact OD2-NH2 3.36Å; D556-R715 PolarHBondContact OD2-NH2 3.17Å
557V87.8Confident88.9Confident1 Ų139.1 Ų39.11%0.00619%0.191CC..Iπ-helixtrans-92.4-63.9-176.2178.70000112.3Y552 L553 Q561 L589 Q592Y552-V557 HydrophobicContact CD1-CG2 4.22Å; Y552-V557 HydrophobicContact CD2-CG2 4.4Å; Y552-V557 HydrophobicContact CE1-CG2 3.7Å; Y552-V557 HydrophobicContact CE2-CG2 3.9Å; Y552-V557 PolarHBondContact O-N 3.27Å; L553-V557 WeakPolarHBondContact O-CB 3.19Å; V557-Q561 WeakPolarHBondContact O-CB 3.5Å; V557-Q561 VanDerWaalsContact O-CG 3.25Å; V557-Q561 WeakPolarHBondContact O-CG 3.26Å; V557-Q561 PolarHBondContact O-N 3.49Å; V557-Q561 VanDerWaalsContact O-N 3.09Å; V557-L589 HydrophobicContact CG1-CD2 3.79Å; V557-Q592 HydrophobicContact CB-CB 4.41Å; V557-Q592 HydrophobicContact CG1-CB 3.53Å; V557-Q592 HydrophobicContact CG2-CB 3.99Å
558I90.4Very high88.8Confident8 Ų838 Ų384%0.04118%0.182CC..Iπ-helixtrans-65.8-53.8-170.7-69.8162.3000111.2K362 L366 L498 L553 A560 Q561 F562 L589K362-I558 HydrophobicContact CG-CG2 4.45Å; L366-I558 HydrophobicContact CB-CD1 4.33Å; L366-I558 HydrophobicContact CB-CG2 4.35Å; L366-I558 HydrophobicContact CD1-CG2 4.1Å; L498-I558 HydrophobicContact CD1-CD1 3.77Å; L498-I558 HydrophobicContact CD2-CD1 4.11Å; L553-I558 WeakPolarHBondContact O-CB 3.18Å; L553-I558 WeakPolarHBondContact O-CD1 3.46Å; L553-I558 WeakPolarHBondContact O-CG1 2.95Å; L553-I558 PolarHBondContact O-N 3.03Å; I558-A560 PolarHBondContact O-N 3Å; I558-Q561 PolarHBondContact O-N 3.41Å; I558-F562 WeakPolarHBondContact O-CB 3.33Å; I558-F562 PolarHBondContact O-N 3.48Å; I558-L589 HydrophobicContact CG1-CD2 4.07Å
559E90.3Very high88.8Confident81 Ų8137.5 Ų37.538%0.37918%0.178SC..Iπ-helixtrans-66.6-37.3-175-167.758.2-151.400112.7K362 Q554 S563K362-E559 IonicContact NZ-OE1 3.87Å; K362-E559 IonicContact NZ-OE2 2.8Å; K362-E559 PolarHBondContact NZ-OE2 3.16Å; Q554-E559 WeakPolarHBondContact O-CB 3.43Å; Q554-E559 PolarHBondContact O-N 3.26Å; E559-S563 WeakPolarHBondContact O-CB 3.45Å; E559-S563 PolarHBondContact O-N 3.3Å; E559-S563 PolarHBondContact O-OG 3.47Å
560A86.3Confident88.6Confident24 Ų2441.6 Ų41.620%0.19820%0.197CC..Hα-helixtrans-65.4-48.5176.400000112.1D556 I558 F562 S563 H564 T707D556-A560 WeakPolarHBondContact O-CB 3.48Å; I558-A560 PolarHBondContact O-N 3Å; A560-F562 VanDerWaalsContact C-N 3.33Å; A560-S563 PolarHBondContact O-N 2.57Å; A560-H564 PolarHBondContact O-N 2.79Å; A560-T707 HydrophobicContact CB-CG2 4.49Å
561Q88.3Confident88.5Confident16 Ų1644.5 Ų44.58%0.07521%0.213CC..Hα-helixtrans-67.7-35.5178.2-69.1-63.8-13.400111.9V557 I558 H564 L565 Y585 L589 Q592V557-Q561 WeakPolarHBondContact O-CB 3.5Å; V557-Q561 VanDerWaalsContact O-CG 3.25Å; V557-Q561 WeakPolarHBondContact O-CG 3.26Å; V557-Q561 PolarHBondContact O-N 3.49Å; V557-Q561 VanDerWaalsContact O-N 3.09Å; I558-Q561 PolarHBondContact O-N 3.41Å; Q561-H564 WeakPolarHBondContact O-CB 3.17Å; Q561-H564 PolarHBondContact O-N 2.85Å; Q561-L565 PolarHBondContact O-N 3.18Å; Q561-Y585 HydrophobicContact CB-CD2 3.76Å; Q561-Y585 HydrophobicContact CB-CE2 3.69Å; Q561-Y585 WeakPolarHBondContact O-CD2 3.22Å; Q561-L589 HydrophobicContact CB-CD2 3.79Å; Q561-L589 HydrophobicContact CB-CG 4.39Å; Q561-L589 HydrophobicContact CG-CD2 4.01Å; Q561-Q592 VanDerWaalsContact NE2-CD 3.32Å
562F92.2Very high88.3Confident13 Ų1340.4 Ų40.46%0.05720%0.199CC..Hα-helixtrans-66.4-43.2177.4-173.2-102.1000111.6I358 K362 I558 A560 H564 L565 I566 Y585I358-F562 HydrophobicContact CG2-CE2 3.72Å; I358-F562 HydrophobicContact CG2-CZ 4.24Å; K362-F562 HydrophobicContact CB-CD2 4.31Å; K362-F562 HydrophobicContact CB-CE2 3.87Å; K362-F562 HydrophobicContact CB-CZ 4.3Å; K362-F562 HydrophobicContact CD-CB 4.21Å; K362-F562 HydrophobicContact CD-CD1 3.67Å; K362-F562 HydrophobicContact CD-CD2 3.55Å; K362-F562 HydrophobicContact CD-CE1 3.82Å; K362-F562 HydrophobicContact CD-CE2 3.69Å; K362-F562 HydrophobicContact CD-CG 3.53Å; K362-F562 HydrophobicContact CD-CZ 3.82Å; K362-F562 HydrophobicContact CG-CD2 4.12Å; K362-F562 HydrophobicContact CG-CE2 4.14Å; I558-F562 WeakPolarHBondContact O-CB 3.33Å; I558-F562 PolarHBondContact O-N 3.48Å; A560-F562 VanDerWaalsContact C-N 3.33Å; F562-H564 PolarHBondContact O-N 3.17Å; F562-L565 WeakPolarHBondContact O-CB 3.45Å; F562-L565 PolarHBondContact O-N 2.86Å; F562-L565 VanDerWaalsContact O-N 3.13Å; F562-I566 HydrophobicContact CD1-CG1 3.93Å; F562-I566 HydrophobicContact CE1-CD1 3.96Å; F562-I566 HydrophobicContact CE1-CG1 3.55Å; F562-I566 HydrophobicContact CE2-CD1 4.28Å; F562-I566 HydrophobicContact CE2-CG1 4.38Å; F562-I566 HydrophobicContact CG-CG1 4.49Å; F562-I566 HydrophobicContact CZ-CD1 3.71Å; F562-I566 HydrophobicContact CZ-CG1 3.81Å; F562-I566 WeakPolarHBondContact O-CG1 3.22Å; F562-I566 PolarHBondContact O-N 3.46Å; F562-Y585 HydrophobicContact CB-CE2 4.34Å
563S89.9Confident88Confident55 Ų5545.2 Ų45.239%0.38522%0.221SC..Hα-helixtrans-57.7-39.3173.7-64.60000111.8E559 A560 R567E559-S563 WeakPolarHBondContact O-CB 3.45Å; E559-S563 PolarHBondContact O-N 3.3Å; E559-S563 PolarHBondContact O-OG 3.47Å; A560-S563 PolarHBondContact O-N 2.57Å; S563-R567 WeakPolarHBondContact O-CB 3.33Å; S563-R567 PolarHBondContact O-N 2.9Å; S563-R567 VanDerWaalsContact O-N 3.1Å
564H88.6Confident87.7Confident68 Ų6848.5 Ų48.532%0.31524%0.236SC..Hα-helixtrans-66.3-44.8174.9-172.171.6000112.2A560 Q561 F562 R567 R568 F674A560-H564 PolarHBondContact O-N 2.79Å; Q561-H564 WeakPolarHBondContact O-CB 3.17Å; Q561-H564 PolarHBondContact O-N 2.85Å; F562-H564 PolarHBondContact O-N 3.17Å; H564-R567 PolarHBondContact O-N 3.44Å; H564-R568 WeakPolarHBondContact O-CG 3.4Å; H564-R568 PolarHBondContact O-N 2.98Å; H564-F674 AromaticContact CD2-CD2 3.49Å; H564-F674 VanDerWaalsContact CD2-CD2 3.49Å; H564-F674 WeakPolarHBondContact CD2-CD2 3.21Å; H564-F674 AromaticContact CD2-CE2 3.6Å; H564-F674 AromaticContact NE2-CD2 3.38Å; H564-F674 WeakPolarHBondContact NE2-CD2 3.22Å; H564-F674 AromaticContact NE2-CE2 3.8Å; H564-F674 AromaticContact NE2-CG 3.49Å; H564-F674 WeakPolarHBondContact NE2-CG 3.38Å
565L91.1Very high87.3Confident3 Ų347.6 Ų47.62%0.01623%0.233CC..Hα-helixtrans-57.7-52.4175.7177.367000111I358 Q561 F562 R567 R568 L569 A581 Y585I358-L565 HydrophobicContact CG2-CD2 4.3Å; Q561-L565 PolarHBondContact O-N 3.18Å; F562-L565 WeakPolarHBondContact O-CB 3.45Å; F562-L565 PolarHBondContact O-N 2.86Å; F562-L565 VanDerWaalsContact O-N 3.13Å; L565-R567 VanDerWaalsContact C-N 3.28Å; L565-R567 PolarHBondContact O-N 3.13Å; L565-R568 CarbonylContact O-C 3.53Å; L565-R568 WeakPolarHBondContact O-CA 3.47Å; L565-R568 WeakPolarHBondContact O-CB 3.4Å; L565-R568 PolarHBondContact O-N 3.19Å; L565-L569 HydrophobicContact CD1-CD1 3.54Å; L565-L569 HydrophobicContact CD2-CD1 4.35Å; L565-L569 HydrophobicContact CG-CD1 3.49Å; L565-L569 VanDerWaalsContact CG-CD1 3.49Å; L565-L569 WeakPolarHBondContact O-CD1 3.47Å; L565-L569 PolarHBondContact O-N 3.45Å; L565-A581 HydrophobicContact CD1-CB 4.24Å; L565-Y585 HydrophobicContact CB-CD2 3.99Å; L565-Y585 HydrophobicContact CB-CE2 4.46Å; L565-Y585 HydrophobicContact CB-CG 4.18Å; L565-Y585 HydrophobicContact CD1-CG 4.39Å; L565-Y585 HydrophobicContact CD2-CD1 3.67Å; L565-Y585 HydrophobicContact CD2-CD2 4.22Å; L565-Y585 HydrophobicContact CD2-CE1 3.84Å; L565-Y585 HydrophobicContact CD2-CE2 4.4Å; L565-Y585 HydrophobicContact CD2-CG 3.86Å; L565-Y585 HydrophobicContact CG-CG 4.35Å
566I90.7Very high87.2Confident35 Ų3548.8 Ų48.818%0.17923%0.23CC..Hα-helixtrans-57.9-42179.7-66.5-60.3000111.3I355 F562 R568 L569 H570I355-I566 HydrophobicContact CG2-CD1 4.36Å; F562-I566 HydrophobicContact CD1-CG1 3.93Å; F562-I566 HydrophobicContact CE1-CD1 3.96Å; F562-I566 HydrophobicContact CE1-CG1 3.55Å; F562-I566 HydrophobicContact CE2-CD1 4.28Å; F562-I566 HydrophobicContact CE2-CG1 4.38Å; F562-I566 HydrophobicContact CG-CG1 4.49Å; F562-I566 HydrophobicContact CZ-CD1 3.71Å; F562-I566 HydrophobicContact CZ-CG1 3.81Å; F562-I566 WeakPolarHBondContact O-CG1 3.22Å; F562-I566 PolarHBondContact O-N 3.46Å; I566-R568 VanDerWaalsContact C-N 3.32Å; I566-R568 PolarHBondContact O-N 2.75Å; I566-L569 PolarHBondContact O-N 2.92Å; I566-H570 PolarHBondContact O-N 2.9Å; I566-H570 PolarHBondContact O-ND1 2.97Å
567R89Confident87.3Confident163 Ų16351.2 Ų51.262%0.61524%0.243SC*.Hα-helixtrans-60.4-42.9175.2-175.9176.4-179.8169.81.6111.7S563 H564 L565 H570 I571S563-R567 WeakPolarHBondContact O-CB 3.33Å; S563-R567 PolarHBondContact O-N 2.9Å; S563-R567 VanDerWaalsContact O-N 3.1Å; H564-R567 PolarHBondContact O-N 3.44Å; L565-R567 VanDerWaalsContact C-N 3.28Å; L565-R567 PolarHBondContact O-N 3.13Å; R567-H570 PolarHBondContact O-N 3.4Å; R567-I571 HydrophobicContact CG-CD1 3.7Å; R567-I571 VanDerWaalsContact O-CG1 3.32Å; R567-I571 WeakPolarHBondContact O-CG1 3.5Å; R567-I571 PolarHBondContact O-N 3.48Å
568R87.6Confident87.3Confident40 Ų4051.2 Ų51.215%0.15124%0.243CC..Hα-helixtrans-65.1-39.5176.4-73.3-166.563.7-169.8-6.5112.7H564 L565 I566 H570 I571 D572 L577 A581H564-R568 WeakPolarHBondContact O-CG 3.4Å; H564-R568 PolarHBondContact O-N 2.98Å; L565-R568 CarbonylContact O-C 3.53Å; L565-R568 WeakPolarHBondContact O-CA 3.47Å; L565-R568 WeakPolarHBondContact O-CB 3.4Å; L565-R568 PolarHBondContact O-N 3.19Å; I566-R568 VanDerWaalsContact C-N 3.32Å; I566-R568 PolarHBondContact O-N 2.75Å; R568-H570 PolarHBondContact O-N 3Å; R568-I571 PolarHBondContact O-N 3.36Å; R568-I571 VanDerWaalsContact O-N 3.13Å; R568-D572 IonicContact CZ-OD2 3.31Å; R568-D572 IonicContact NE-OD2 3.18Å; R568-D572 PolarHBondContact NE-OD2 3.49Å; R568-D572 IonicContact NH2-OD2 3.87Å; R568-D572 PolarHBondContact NH2-OD2 2.91Å; R568-D572 WeakPolarHBondContact O-CB 3.31Å; R568-D572 PolarHBondContact O-N 2.86Å; R568-L577 PolarHBondContact NH2-O 3.46Å; R568-A581 HydrophobicContact CB-CB 4.3Å
569L87.3Confident87.1Confident0 Ų052.9 Ų52.90%025%0.25CS..Hα-helixtrans-58.8-30.8175.9-89.797.1000113.7W345 L354 I358 L565 I566 I578W345-L569 PolarHBondContact NE1-O 3.47Å; L354-L569 HydrophobicContact CD2-CD2 3.77Å; L354-L569 HydrophobicContact CG-CD2 4.21Å; I358-L569 HydrophobicContact CD1-CD1 4.36Å; I358-L569 HydrophobicContact CD1-CD2 3.49Å; I358-L569 VanDerWaalsContact CD1-CD2 3.49Å; L565-L569 HydrophobicContact CD1-CD1 3.54Å; L565-L569 HydrophobicContact CD2-CD1 4.35Å; L565-L569 HydrophobicContact CG-CD1 3.49Å; L565-L569 VanDerWaalsContact CG-CD1 3.49Å; L565-L569 WeakPolarHBondContact O-CD1 3.47Å; L565-L569 PolarHBondContact O-N 3.45Å; I566-L569 PolarHBondContact O-N 2.92Å; L569-I578 HydrophobicContact CD2-CG2 4.43Å; L569-I578 HydrophobicContact CG-CD1 4.34Å; L569-I578 HydrophobicContact CG-CG1 4.49Å; L569-I578 HydrophobicContact CG-CG2 4.23Å
570H86.1Confident87Confident99 Ų9953.6 Ų53.646%0.45826%0.256SS..Hα-helixtrans-83.5-28.6177.6-69.385.4000113.2I355 I566 R567 R568I355-H570 WeakPolarHBondContact CD1-NE2 3.5Å; I566-H570 PolarHBondContact O-N 2.9Å; I566-H570 PolarHBondContact O-ND1 2.97Å; R567-H570 PolarHBondContact O-N 3.4Å; R568-H570 PolarHBondContact O-N 3Å
571I85.8Confident87.1Confident101 Ų10152.5 Ų52.552%0.51825%0.247SC..Hα-helixtrans-87.8-44.6-177.9-65.6170.3000111.1R567 R568 Q573R567-I571 HydrophobicContact CG-CD1 3.7Å; R567-I571 VanDerWaalsContact O-CG1 3.32Å; R567-I571 WeakPolarHBondContact O-CG1 3.5Å; R567-I571 PolarHBondContact O-N 3.48Å; R568-I571 PolarHBondContact O-N 3.36Å; R568-I571 VanDerWaalsContact O-N 3.13Å; I571-Q573 PolarHBondContact O-N 3.16Å; I571-Q573 VanDerWaalsContact O-N 3.11Å
572D84.5Confident87.2Confident26 Ų2651.9 Ų51.914%0.13924%0.244CC..  trans-78.595.4-175.5-65.3-14.1000108.3W345 R568 E574 L577 I578W345-D572 PolarHBondContact NE1-O 2.89Å; R568-D572 IonicContact CZ-OD2 3.31Å; R568-D572 IonicContact NE-OD2 3.18Å; R568-D572 PolarHBondContact NE-OD2 3.49Å; R568-D572 IonicContact NH2-OD2 3.87Å; R568-D572 PolarHBondContact NH2-OD2 2.91Å; R568-D572 WeakPolarHBondContact O-CB 3.31Å; R568-D572 PolarHBondContact O-N 2.86Å; D572-E574 PolarHBondContact O-N 2.97Å; D572-E574 VanDerWaalsContact O-N 3.09Å; D572-L577 HydrophobicContact CB-CB 3.78Å; D572-L577 HydrophobicContact CB-CD1 4.36Å; D572-I578 HydrophobicContact CB-CG1 4.45Å
573Q83.3Confident87.1Confident100 Ų10056.2 Ų56.247%0.46726%0.264SS..  trans-80.525.4-177.7-61.7-179.1-18.700113.7Y342 W345 I571Y342-Q573 HydrophobicContact CD2-CB 3.95Å; Y342-Q573 HydrophobicContact CE2-CB 4.13Å; Y342-Q573 HydrophobicContact CE2-CG 4.32Å; W345-Q573 HydrophobicContact CE3-CB 4.37Å; W345-Q573 HydrophobicContact CH2-CG 4.13Å; W345-Q573 HydrophobicContact CZ2-CG 4.41Å; W345-Q573 HydrophobicContact CZ3-CB 4.48Å; W345-Q573 HydrophobicContact CZ3-CG 4.22Å; I571-Q573 PolarHBondContact O-N 3.16Å; I571-Q573 VanDerWaalsContact O-N 3.11Å
574E82.1Confident87Confident71 Ų7154.9 Ų54.933%0.33226%0.256SS..SBendtrans-136.7135.8-179.4-67.3-176.7-161.700110.7D572 R576 L577 I578D572-E574 PolarHBondContact O-N 2.97Å; D572-E574 VanDerWaalsContact O-N 3.09Å; E574-R576 VanDerWaalsContact C-N 3.32Å; E574-R576 PolarHBondContact O-N 3.4Å; E574-L577 HydrophobicContact CB-CB 4.29Å; E574-L577 HydrophobicContact CB-CD1 4.03Å; E574-L577 HydrophobicContact CB-CG 4.03Å; E574-L577 HydrophobicContact CG-CD1 4.33Å; E574-L577 PolarHBondContact O-N 2.99Å; E574-I578 PolarHBondContact O-N 2.9Å
575I83.3Confident87.1Confident18 Ų1851.8 Ų51.89%0.09224%0.242CC..Hα-helixtrans-58.1-42179.6-66.1179.8000112.1W345 L482 L577 I578 Q579W345-I575 HydrophobicContact CB-CG1 4.18Å; L482-I575 HydrophobicContact CD2-CG2 3.97Å; I575-L577 VanDerWaalsContact C-N 3.33Å; I575-L577 PolarHBondContact O-N 3.12Å; I575-I578 WeakPolarHBondContact O-CB 3.31Å; I575-I578 PolarHBondContact O-N 3.38Å; I575-I578 VanDerWaalsContact O-N 3.16Å; I575-Q579 WeakPolarHBondContact O-CG 3.31Å; I575-Q579 PolarHBondContact O-N 3.16Å
576R82.6Confident87.2Confident89 Ų8951.8 Ų51.834%0.33624%0.242SC..Hα-helixtrans-64.3-39-179.4-73-161.2-65.7-151.6-0.1112.3E270 E574 I578 Q579 I580E270-R576 IonicContact OE2-CZ 2.72Å; E270-R576 IonicContact OE2-NH1 2.7Å; E270-R576 PolarHBondContact OE2-NH1 3.41Å; E574-R576 VanDerWaalsContact C-N 3.32Å; E574-R576 PolarHBondContact O-N 3.4Å; R576-I578 VanDerWaalsContact C-N 3.27Å; R576-I578 PolarHBondContact O-N 3.47Å; R576-Q579 PolarHBondContact O-N 2.78Å; R576-I580 VanDerWaalsContact O-CG1 3.3Å; R576-I580 WeakPolarHBondContact O-CG1 3.25Å; R576-I580 PolarHBondContact O-N 2.7Å
577L86.3Confident87.1Confident64 Ų6451.7 Ų51.734%0.33525%0.246SC..Hα-helixtrans-64.6-35.6176-65.7179.2000111.3R568 D572 E574 I575 I580 A581R568-L577 PolarHBondContact NH2-O 3.46Å; D572-L577 HydrophobicContact CB-CB 3.78Å; D572-L577 HydrophobicContact CB-CD1 4.36Å; E574-L577 HydrophobicContact CB-CB 4.29Å; E574-L577 HydrophobicContact CB-CD1 4.03Å; E574-L577 HydrophobicContact CB-CG 4.03Å; E574-L577 HydrophobicContact CG-CD1 4.33Å; E574-L577 PolarHBondContact O-N 2.99Å; I575-L577 VanDerWaalsContact C-N 3.33Å; I575-L577 PolarHBondContact O-N 3.12Å; L577-I580 PolarHBondContact O-N 3.3Å; L577-A581 WeakPolarHBondContact O-CB 3.31Å; L577-A581 PolarHBondContact O-N 2.89Å
578I86.8Confident87Confident1 Ų144 Ų441%0.00522%0.217CC..Hα-helixtrans-66.5-43.6173.4-66.3179.5000112L482 L569 D572 E574 I575 R576 I580 A581 Q582L482-I578 HydrophobicContact CD1-CG2 4.43Å; L482-I578 HydrophobicContact CD2-CG2 4.08Å; L569-I578 HydrophobicContact CD2-CG2 4.43Å; L569-I578 HydrophobicContact CG-CD1 4.34Å; L569-I578 HydrophobicContact CG-CG1 4.49Å; L569-I578 HydrophobicContact CG-CG2 4.23Å; D572-I578 HydrophobicContact CB-CG1 4.45Å; E574-I578 PolarHBondContact O-N 2.9Å; I575-I578 WeakPolarHBondContact O-CB 3.31Å; I575-I578 PolarHBondContact O-N 3.38Å; I575-I578 VanDerWaalsContact O-N 3.16Å; R576-I578 VanDerWaalsContact C-N 3.27Å; R576-I578 PolarHBondContact O-N 3.47Å; I578-I580 VanDerWaalsContact C-N 3.32Å; I578-I580 PolarHBondContact O-N 2.93Å; I578-A581 WeakPolarHBondContact O-CB 3.39Å; I578-A581 PolarHBondContact O-N 3.47Å; I578-A581 VanDerWaalsContact O-N 3.12Å; I578-Q582 WeakPolarHBondContact O-CB 3.44Å; I578-Q582 PolarHBondContact O-N 3.18Å
579Q87Confident87.1Confident44 Ų4442.1 Ų42.121%0.20621%0.211CC..Hα-helixtrans-56.7-49175.2-70.7171.7-2800110.8R481 L482 I575 R576 A581 Q582 E583R481-Q579 PolarHBondContact O-NE2 2.9Å; L482-Q579 HydrophobicContact CD2-CG 3.54Å; I575-Q579 WeakPolarHBondContact O-CG 3.31Å; I575-Q579 PolarHBondContact O-N 3.16Å; R576-Q579 PolarHBondContact O-N 2.78Å; Q579-A581 VanDerWaalsContact C-N 3.3Å; Q579-A581 PolarHBondContact O-N 2.9Å; Q579-Q582 PolarHBondContact O-N 2.72Å; Q579-E583 WeakPolarHBondContact O-CG 3.23Å; Q579-E583 PolarHBondContact O-N 3.44Å
580I87.7Confident87.2Confident96 Ų9642.9 Ų42.949%0.49221%0.214SC..Hα-helixtrans-61.5-40.3176.6-64.2164.8000110.7R576 L577 I578 A584R576-I580 VanDerWaalsContact O-CG1 3.3Å; R576-I580 WeakPolarHBondContact O-CG1 3.25Å; R576-I580 PolarHBondContact O-N 2.7Å; L577-I580 PolarHBondContact O-N 3.3Å; I578-I580 VanDerWaalsContact C-N 3.32Å; I578-I580 PolarHBondContact O-N 2.93Å; I580-A584 VanDerWaalsContact O-CB 3.25Å; I580-A584 WeakPolarHBondContact O-CB 3.37Å; I580-A584 PolarHBondContact O-N 3.1Å
581A89Confident87.2Confident1 Ų138.6 Ų38.61%0.00820%0.196CC..Hα-helixtrans-61.6-44.3176.600000112.3L565 R568 L577 I578 Q579 Y585L565-A581 HydrophobicContact CD1-CB 4.24Å; R568-A581 HydrophobicContact CB-CB 4.3Å; L577-A581 WeakPolarHBondContact O-CB 3.31Å; L577-A581 PolarHBondContact O-N 2.89Å; I578-A581 WeakPolarHBondContact O-CB 3.39Å; I578-A581 PolarHBondContact O-N 3.47Å; I578-A581 VanDerWaalsContact O-N 3.12Å; Q579-A581 VanDerWaalsContact C-N 3.3Å; Q579-A581 PolarHBondContact O-N 2.9Å; A581-Y585 VanDerWaalsContact O-CB 3.25Å; A581-Y585 WeakPolarHBondContact O-CB 3.38Å; A581-Y585 PolarHBondContact O-N 3.37Å
582Q90.3Very high87.2Confident3 Ų333.9 Ų33.91%0.01417%0.171CC..Hα-helixtrans-68.9-42.1-179.8-175.8171.9-7.700111.9I487 I578 Q579 Y585 L586I487-Q582 HydrophobicContact CD1-CG 4.22Å; I487-Q582 VanDerWaalsContact CG2-NE2 3.33Å; I578-Q582 WeakPolarHBondContact O-CB 3.44Å; I578-Q582 PolarHBondContact O-N 3.18Å; Q579-Q582 PolarHBondContact O-N 2.72Å; Q582-Y585 WeakPolarHBondContact O-CB 3.46Å; Q582-Y585 PolarHBondContact O-N 3.12Å; Q582-L586 HydrophobicContact CG-CD1 4.41Å; Q582-L586 WeakPolarHBondContact O-CG 3.46Å; Q582-L586 PolarHBondContact O-N 3.39Å
583E90.1Very high87.2Confident103 Ų10332.8 Ų32.848%0.48117%0.166SC..Hα-helixtrans-62.4-45.6174.6-72.8-174.9169.300111.5I487 Q579 L586 A587I487-E583 HydrophobicContact CD1-CG 4.01Å; I487-E583 HydrophobicContact CG1-CG 4.2Å; Q579-E583 WeakPolarHBondContact O-CG 3.23Å; Q579-E583 PolarHBondContact O-N 3.44Å; E583-L586 PolarHBondContact O-N 3.16Å; E583-A587 WeakPolarHBondContact O-CB 3.45Å; E583-A587 PolarHBondContact O-N 3.2Å
584A88.4Confident87.3Confident27 Ų2728.1 Ų28.122%0.22314%0.144CC..Hα-helixtrans-68-36.5177.500000112.5I580 G588 F674I580-A584 VanDerWaalsContact O-CB 3.25Å; I580-A584 WeakPolarHBondContact O-CB 3.37Å; I580-A584 PolarHBondContact O-N 3.1Å; A584-G588 PolarHBondContact O-N 3.14Å; A584-F674 HydrophobicContact CB-CE1 3.69Å; A584-F674 HydrophobicContact CB-CE2 4.32Å; A584-F674 HydrophobicContact CB-CZ 3.33Å
585Y91Very high87.4Confident3 Ų325.8 Ų25.81%0.01213%0.134CC..Hα-helixtrans-57.8-49.3170.8161-106.2000111.5L366 Y491 Q561 F562 L565 A581 Q582 G588 L589L366-Y585 VanDerWaalsContact CD1-OH 3.24Å; L366-Y585 WeakPolarHBondContact CD1-OH 3.36Å; Y491-Y585 HydrophobicContact CE1-CE1 4.41Å; Q561-Y585 HydrophobicContact CB-CD2 3.76Å; Q561-Y585 HydrophobicContact CB-CE2 3.69Å; Q561-Y585 WeakPolarHBondContact O-CD2 3.22Å; F562-Y585 HydrophobicContact CB-CE2 4.34Å; L565-Y585 HydrophobicContact CB-CD2 3.99Å; L565-Y585 HydrophobicContact CB-CE2 4.46Å; L565-Y585 HydrophobicContact CB-CG 4.18Å; L565-Y585 HydrophobicContact CD1-CG 4.39Å; L565-Y585 HydrophobicContact CD2-CD1 3.67Å; L565-Y585 HydrophobicContact CD2-CD2 4.22Å; L565-Y585 HydrophobicContact CD2-CE1 3.84Å; L565-Y585 HydrophobicContact CD2-CE2 4.4Å; L565-Y585 HydrophobicContact CD2-CG 3.86Å; L565-Y585 HydrophobicContact CG-CG 4.35Å; A581-Y585 VanDerWaalsContact O-CB 3.25Å; A581-Y585 WeakPolarHBondContact O-CB 3.38Å; A581-Y585 PolarHBondContact O-N 3.37Å; Q582-Y585 WeakPolarHBondContact O-CB 3.46Å; Q582-Y585 PolarHBondContact O-N 3.12Å; Y585-G588 PolarHBondContact O-N 3.43Å; Y585-L589 HydrophobicContact CD1-CD1 4.3Å; Y585-L589 HydrophobicContact CD2-CD1 4.32Å; Y585-L589 HydrophobicContact CD2-CG 4.19Å; Y585-L589 HydrophobicContact CE1-CD1 3.61Å; Y585-L589 HydrophobicContact CE1-CG 4.45Å; Y585-L589 HydrophobicContact CE2-CD1 3.62Å; Y585-L589 HydrophobicContact CE2-CD2 4.15Å; Y585-L589 HydrophobicContact CE2-CG 3.79Å; Y585-L589 WeakPolarHBondContact O-CG 3.37Å; Y585-L589 PolarHBondContact O-N 3.33Å; Y585-L589 WeakPolarHBondContact OH-CD1 3.29Å
586L92Very high87.4Confident4 Ų430.5 Ų30.52%0.02115%0.154CC..Hα-helixtrans-68.1-40.5180-75170.2000112.7I487 A490 Y491 L494 Q582 E583 G588 L589 Q590I487-L586 HydrophobicContact CB-CD1 4.09Å; I487-L586 HydrophobicContact CG1-CD1 4.02Å; I487-L586 HydrophobicContact CG2-CD1 3.71Å; A490-L586 HydrophobicContact CB-CB 4.32Å; A490-L586 HydrophobicContact CB-CD1 4.18Å; Y491-L586 HydrophobicContact CD1-CD2 3.8Å; Y491-L586 HydrophobicContact CD2-CD1 4.1Å; Y491-L586 HydrophobicContact CD2-CD2 4.23Å; Y491-L586 HydrophobicContact CE1-CD2 3.6Å; Y491-L586 HydrophobicContact CE2-CD1 3.79Å; Y491-L586 HydrophobicContact CE2-CD2 4.07Å; Y491-L586 HydrophobicContact CE2-CG 4.44Å; Y491-L586 HydrophobicContact CG-CD2 4.1Å; L494-L586 HydrophobicContact CD1-CD2 3.93Å; Q582-L586 HydrophobicContact CG-CD1 4.41Å; Q582-L586 WeakPolarHBondContact O-CG 3.46Å; Q582-L586 PolarHBondContact O-N 3.39Å; E583-L586 PolarHBondContact O-N 3.16Å; L586-G588 VanDerWaalsContact C-N 3.3Å; L586-G588 PolarHBondContact O-N 2.86Å; L586-L589 HydrophobicContact CD2-CD1 4.42Å; L586-L589 PolarHBondContact O-N 2.76Å; L586-Q590 WeakPolarHBondContact O-CB 3.3Å; L586-Q590 VanDerWaalsContact O-CG 3.29Å; L586-Q590 WeakPolarHBondContact O-CG 3.32Å; L586-Q590 PolarHBondContact O-N 2.63Å
587A88.9Confident87.5Confident32 Ų3228.6 Ų28.626%0.26415%0.15SC..Hα-helixtrans-60.3-43.6173.400000111E583 Q590 A591E583-A587 WeakPolarHBondContact O-CB 3.45Å; E583-A587 PolarHBondContact O-N 3.2Å; A587-Q590 PolarHBondContact O-N 3.13Å; A587-A591 WeakPolarHBondContact O-CB 3.23Å; A587-A591 PolarHBondContact O-N 3.45Å
588G86.9Confident87.4Confident1 Ų129.4 Ų29.41%0.0116%0.159CC..Hα-helixtrans-61.3-46.6174.600000112.5A584 Y585 L586 A591 Q592A584-G588 PolarHBondContact O-N 3.14Å; Y585-G588 PolarHBondContact O-N 3.43Å; L586-G588 VanDerWaalsContact C-N 3.3Å; L586-G588 PolarHBondContact O-N 2.86Å; G588-A591 PolarHBondContact O-N 3.18Å; G588-Q592 WeakPolarHBondContact O-CB 3.48Å; G588-Q592 VanDerWaalsContact O-CG 3.31Å; G588-Q592 WeakPolarHBondContact O-CG 3.31Å; G588-Q592 PolarHBondContact O-N 2.99Å
589L89.4Confident87.3Confident2 Ų234.6 Ų34.61%0.0119%0.187CC..Hα-helixtrans-60.2-46.3175.3-77.9-173.5000112.2L366 L494 V557 I558 Q561 Y585 L586 A591 Q592 A593L366-L589 HydrophobicContact CD1-CD1 3.89Å; L494-L589 HydrophobicContact CD1-CB 4Å; L494-L589 HydrophobicContact CD1-CD1 4.01Å; L494-L589 HydrophobicContact CD2-CB 4.32Å; V557-L589 HydrophobicContact CG1-CD2 3.79Å; I558-L589 HydrophobicContact CG1-CD2 4.07Å; Q561-L589 HydrophobicContact CB-CD2 3.79Å; Q561-L589 HydrophobicContact CB-CG 4.39Å; Q561-L589 HydrophobicContact CG-CD2 4.01Å; Y585-L589 HydrophobicContact CD1-CD1 4.3Å; Y585-L589 HydrophobicContact CD2-CD1 4.32Å; Y585-L589 HydrophobicContact CD2-CG 4.19Å; Y585-L589 HydrophobicContact CE1-CD1 3.61Å; Y585-L589 HydrophobicContact CE1-CG 4.45Å; Y585-L589 HydrophobicContact CE2-CD1 3.62Å; Y585-L589 HydrophobicContact CE2-CD2 4.15Å; Y585-L589 HydrophobicContact CE2-CG 3.79Å; Y585-L589 WeakPolarHBondContact O-CG 3.37Å; Y585-L589 PolarHBondContact O-N 3.33Å; Y585-L589 WeakPolarHBondContact OH-CD1 3.29Å; L586-L589 HydrophobicContact CD2-CD1 4.42Å; L586-L589 PolarHBondContact O-N 2.76Å; L589-A591 VanDerWaalsContact C-N 3.31Å; L589-A591 PolarHBondContact O-N 3.11Å; L589-Q592 PolarHBondContact O-N 2.96Å; L589-A593 WeakPolarHBondContact O-CB 3.34Å; L589-A593 PolarHBondContact O-N 2.92Å
590Q89.5Confident87.3Confident16 Ų1632.9 Ų32.98%0.07518%0.179CC..Hα-helixtrans-65-37.7-179.5-71.2-176.5-38.400111.9A490 L494 L586 A587 L595 F596A490-Q590 VanDerWaalsContact CA-NE2 3.34Å; A490-Q590 PolarHBondContact O-NE2 3.33Å; L494-Q590 HydrophobicContact CD1-CG 4.17Å; L494-Q590 HydrophobicContact CD2-CG 4.14Å; L494-Q590 HydrophobicContact CG-CG 4.06Å; L586-Q590 WeakPolarHBondContact O-CB 3.3Å; L586-Q590 VanDerWaalsContact O-CG 3.29Å; L586-Q590 WeakPolarHBondContact O-CG 3.32Å; L586-Q590 PolarHBondContact O-N 2.63Å; A587-Q590 PolarHBondContact O-N 3.13Å; Q590-L595 HydrophobicContact CB-CB 4.46Å; Q590-L595 HydrophobicContact CB-CD1 4.26Å; Q590-L595 HydrophobicContact CG-CD1 4.04Å; Q590-L595 VanDerWaalsContact O-CB 3.3Å; Q590-L595 WeakPolarHBondContact O-CB 3.37Å; Q590-L595 PolarHBondContact O-N 3.34Å; Q590-F596 HydrophobicContact CB-CD2 4.41Å; Q590-F596 HydrophobicContact CB-CE1 4.19Å; Q590-F596 HydrophobicContact CB-CE2 3.63Å; Q590-F596 HydrophobicContact CB-CZ 3.5Å; Q590-F596 HydrophobicContact CG-CZ 4.43Å
591A85.6Confident87.2Confident8 Ų831.8 Ų31.87%0.06617%0.17CC..Hα-helixtrans-68.8-47.1176.600000111.9A587 G588 L589 L594 F596 S670A587-A591 WeakPolarHBondContact O-CB 3.23Å; A587-A591 PolarHBondContact O-N 3.45Å; G588-A591 PolarHBondContact O-N 3.18Å; L589-A591 VanDerWaalsContact C-N 3.31Å; L589-A591 PolarHBondContact O-N 3.11Å; A591-L594 PolarHBondContact O-N 2.59Å; A591-L594 VanDerWaalsContact O-N 3.1Å; A591-F596 HydrophobicContact CB-CD2 3.7Å; A591-F596 HydrophobicContact CB-CE2 4.02Å; A591-S670 WeakPolarHBondContact CB-O 3.49Å
592Q85.5Confident87.2Confident2 Ų236.1 Ų36.11%0.00919%0.193CC..Hα-helixtrans-73.5-27.9-179.2-68.2-179.3-400113.1Y552 V557 Q561 G588 L589 L594 T707Y552-Q592 PolarHBondContact OH-O 3.33Å; V557-Q592 HydrophobicContact CB-CB 4.41Å; V557-Q592 HydrophobicContact CG1-CB 3.53Å; V557-Q592 HydrophobicContact CG2-CB 3.99Å; Q561-Q592 VanDerWaalsContact NE2-CD 3.32Å; G588-Q592 WeakPolarHBondContact O-CB 3.48Å; G588-Q592 VanDerWaalsContact O-CG 3.31Å; G588-Q592 WeakPolarHBondContact O-CG 3.31Å; G588-Q592 PolarHBondContact O-N 2.99Å; L589-Q592 PolarHBondContact O-N 2.96Å; Q592-L594 PolarHBondContact O-N 2.97Å; Q592-T707 PolarHBondContact NE2-OG1 3.38Å; Q592-T707 PolarHBondContact OE1-OG1 2.85Å
593A86.3Confident87.1Confident4 Ų436 Ų363%0.03319%0.193CC..THydrogen-bonded Turntrans-76.48169.200000113.3L494 F497 L553 L589 L595L494-A593 HydrophobicContact CD2-CB 4.07Å; F497-A593 VanDerWaalsContact CE1-O 3.31Å; F497-A593 WeakPolarHBondContact CE1-O 3.37Å; L553-A593 HydrophobicContact CD2-CB 3.78Å; L589-A593 WeakPolarHBondContact O-CB 3.34Å; L589-A593 PolarHBondContact O-N 2.92Å; A593-L595 HydrophobicContact CB-CG 4.31Å; A593-L595 PolarHBondContact O-N 3.27Å
594L85.3Confident87.1Confident1 Ų131.3 Ų31.31%0.00517%0.171CC..THydrogen-bonded Turntrans66.318.5174.7-46.3169.3000113.7A591 Q592 F596 M597 I600 I604 L660 L709 L712A591-L594 PolarHBondContact O-N 2.59Å; A591-L594 VanDerWaalsContact O-N 3.1Å; Q592-L594 PolarHBondContact O-N 2.97Å; L594-F596 VanDerWaalsContact C-N 3.31Å; L594-F596 PolarHBondContact O-N 3.22Å; L594-M597 HydrophobicContact CD2-SD 4.01Å; L594-M597 PolarHBondContact O-N 3.45Å; L594-I600 HydrophobicContact CB-CG2 4.16Å; L594-I600 HydrophobicContact CD1-CG2 3.88Å; L594-I600 HydrophobicContact CG-CG2 4.5Å; L594-I604 HydrophobicContact CD1-CD1 4.1Å; L594-L660 HydrophobicContact CD1-CD2 4.24Å; L594-L709 HydrophobicContact CD2-CD1 4.49Å; L594-L709 HydrophobicContact CD2-CD2 3.94Å; L594-L712 HydrophobicContact CD1-CD2 4.28Å
595L83.5Confident87.2Confident22 Ų2233.1 Ų33.112%0.11518%0.176CC..THydrogen-bonded Turntrans-72.3-24.6-178.1-65.4179.5000113.3L494 F497 Q590 A593 M597 K601L494-L595 HydrophobicContact CD2-CD1 3.67Å; L494-L595 HydrophobicContact CG-CD1 4.18Å; F497-L595 HydrophobicContact CB-CD2 3.85Å; F497-L595 HydrophobicContact CD1-CD2 3.82Å; F497-L595 HydrophobicContact CD2-CD2 3.98Å; F497-L595 HydrophobicContact CE1-CD2 4.33Å; F497-L595 HydrophobicContact CE2-CD2 4.49Å; F497-L595 HydrophobicContact CG-CD2 3.61Å; Q590-L595 HydrophobicContact CB-CB 4.46Å; Q590-L595 HydrophobicContact CB-CD1 4.26Å; Q590-L595 HydrophobicContact CG-CD1 4.04Å; Q590-L595 VanDerWaalsContact O-CB 3.3Å; Q590-L595 WeakPolarHBondContact O-CB 3.37Å; Q590-L595 PolarHBondContact O-N 3.34Å; A593-L595 HydrophobicContact CB-CG 4.31Å; A593-L595 PolarHBondContact O-N 3.27Å; L595-M597 VanDerWaalsContact C-N 3.33Å; L595-K601 HydrophobicContact CD2-CD 4.26Å
596F83.8Confident87.1Confident117 Ų11736.9 Ų36.951%0.51319%0.194SC..THydrogen-bonded Turntrans-88.51.5175.4-59.1-42000113.7Q590 A591 L594 P598Q590-F596 HydrophobicContact CB-CD2 4.41Å; Q590-F596 HydrophobicContact CB-CE1 4.19Å; Q590-F596 HydrophobicContact CB-CE2 3.63Å; Q590-F596 HydrophobicContact CB-CZ 3.5Å; Q590-F596 HydrophobicContact CG-CZ 4.43Å; A591-F596 HydrophobicContact CB-CD2 3.7Å; A591-F596 HydrophobicContact CB-CE2 4.02Å; L594-F596 VanDerWaalsContact C-N 3.31Å; L594-F596 PolarHBondContact O-N 3.22Å; F596-P598 VanDerWaalsContact O-CD 3.3Å; F596-P598 WeakPolarHBondContact O-CD 3.24Å
597M84.9Confident87Confident49 Ų4937 Ų3724%0.24120%0.195CC..  trans-10790.6176.4-57.2-170.787.100108.5L594 L595 D599 I600 K601L594-M597 HydrophobicContact CD2-SD 4.01Å; L594-M597 PolarHBondContact O-N 3.45Å; L595-M597 VanDerWaalsContact C-N 3.33Å; M597-D599 VanDerWaalsContact C-N 3.32Å; M597-D599 PolarHBondContact O-N 3.08Å; M597-I600 HydrophobicContact CB-CB 4.09Å; M597-I600 HydrophobicContact CB-CD1 4.13Å; M597-I600 HydrophobicContact CB-CG1 4.43Å; M597-I600 HydrophobicContact CE-CD1 3.77Å; M597-I600 PolarHBondContact O-N 3.09Å; M597-I600 HydrophobicContact SD-CD1 3.74Å; M597-K601 VanDerWaalsContact O-CB 3.3Å; M597-K601 WeakPolarHBondContact O-CB 3.41Å; M597-K601 PolarHBondContact O-N 2.92Å
598P82.7Confident87.1Confident81 Ų8136 Ų3653%0.52619%0.185SC..Hα-helixtrans-60.2-40.7-168.823.3-33.4000112.5F596 K601 L602F596-P598 VanDerWaalsContact O-CD 3.3Å; F596-P598 WeakPolarHBondContact O-CD 3.24Å; P598-K601 PolarHBondContact O-N 3.49Å; P598-L602 VanDerWaalsContact O-CB 3.29Å; P598-L602 WeakPolarHBondContact O-CB 3.47Å; P598-L602 WeakPolarHBondContact O-CG 3.45Å; P598-L602 PolarHBondContact O-N 3.44Å
599D86.2Confident87.1Confident111 Ų11139.2 Ų39.259%0.59420%0.202SC*.Hα-helixtrans-66.3-45.1-178.2-57.3-32.4000111.7M597 L602 C603 L659M597-D599 VanDerWaalsContact C-N 3.32Å; M597-D599 PolarHBondContact O-N 3.08Å; D599-L602 PolarHBondContact O-N 3.43Å; D599-C603 VanDerWaalsContact O-CB 3.26Å; D599-C603 WeakPolarHBondContact O-CB 3.42Å; D599-C603 PolarHBondContact O-N 2.81Å; D599-L659 HydrophobicContact CB-CD1 4.46Å
600I86.2Confident87.1Confident7 Ų741.3 Ų41.34%0.03621%0.21CC..Hα-helixtrans-66.9-44.8177.6-67.1170.7000110.4L594 M597 L602 C603 I604 L656 L659 L660L594-I600 HydrophobicContact CB-CG2 4.16Å; L594-I600 HydrophobicContact CD1-CG2 3.88Å; L594-I600 HydrophobicContact CG-CG2 4.5Å; M597-I600 HydrophobicContact CB-CB 4.09Å; M597-I600 HydrophobicContact CB-CD1 4.13Å; M597-I600 HydrophobicContact CB-CG1 4.43Å; M597-I600 HydrophobicContact CE-CD1 3.77Å; M597-I600 PolarHBondContact O-N 3.09Å; M597-I600 HydrophobicContact SD-CD1 3.74Å; I600-L602 PolarHBondContact O-N 2.88Å; I600-C603 WeakPolarHBondContact O-CB 3.47Å; I600-C603 PolarHBondContact O-N 3.18Å; I600-I604 HydrophobicContact CG2-CD1 3.9Å; I600-I604 HydrophobicContact CG2-CG1 4.44Å; I600-I604 WeakPolarHBondContact O-CG1 3.48Å; I600-I604 PolarHBondContact O-N 3Å; I600-L656 HydrophobicContact CG2-CD1 3.86Å; I600-L659 HydrophobicContact CG1-CB 3.96Å; I600-L659 HydrophobicContact CG1-CD1 4.37Å; I600-L660 HydrophobicContact CD1-CD2 4.21Å; I600-L660 HydrophobicContact CG2-CD2 4.33Å
601K86.6Confident87.1Confident74 Ų7440.6 Ų40.632%0.32221%0.207SC..Hα-helixtrans-59.2-46.9176.7-179-173.2175.4-175.70111.5L595 M597 P598 C603 I604 L605L595-K601 HydrophobicContact CD2-CD 4.26Å; M597-K601 VanDerWaalsContact O-CB 3.3Å; M597-K601 WeakPolarHBondContact O-CB 3.41Å; M597-K601 PolarHBondContact O-N 2.92Å; P598-K601 PolarHBondContact O-N 3.49Å; K601-C603 VanDerWaalsContact C-N 3.31Å; K601-C603 PolarHBondContact O-N 3.37Å; K601-I604 PolarHBondContact O-N 3.25Å; K601-L605 HydrophobicContact CG-CD1 4.19Å; K601-L605 WeakPolarHBondContact O-CG 3.06Å; K601-L605 PolarHBondContact O-N 3.21Å
602L88.2Confident87.1Confident91 Ų9141.2 Ų41.248%0.47621%0.21SC..Hα-helixtrans-62.2-41.5177.1-75171.2000111.1P598 D599 I600 L605 Q606P598-L602 VanDerWaalsContact O-CB 3.29Å; P598-L602 WeakPolarHBondContact O-CB 3.47Å; P598-L602 WeakPolarHBondContact O-CG 3.45Å; P598-L602 PolarHBondContact O-N 3.44Å; D599-L602 PolarHBondContact O-N 3.43Å; I600-L602 PolarHBondContact O-N 2.88Å; L602-L605 PolarHBondContact O-N 3.07Å; L602-Q606 WeakPolarHBondContact O-CB 3.36Å; L602-Q606 VanDerWaalsContact O-CG 3.28Å; L602-Q606 WeakPolarHBondContact O-CG 2.99Å; L602-Q606 PolarHBondContact O-N 3.36Å
603C88.4Confident87.1Confident2 Ų244 Ų441%0.01422%0.223CC..Hα-helixtrans-60-47.1175.8-169.10000111.8D599 I600 K601 Q606 L607 Q652 L656 L659D599-C603 VanDerWaalsContact O-CB 3.26Å; D599-C603 WeakPolarHBondContact O-CB 3.42Å; D599-C603 PolarHBondContact O-N 2.81Å; I600-C603 WeakPolarHBondContact O-CB 3.47Å; I600-C603 PolarHBondContact O-N 3.18Å; K601-C603 VanDerWaalsContact C-N 3.31Å; K601-C603 PolarHBondContact O-N 3.37Å; C603-Q606 PolarHBondContact O-N 3.16Å; C603-L607 WeakPolarHBondContact O-CG 3.34Å; C603-L607 PolarHBondContact O-N 2.86Å; C603-Q652 PolarHBondContact SG-O 2.7Å; C603-Q652 VanDerWaalsContact SG-O 3.38Å; C603-L656 HydrophobicContact CB-CD1 4.47Å; C603-L659 HydrophobicContact CB-CD1 4.39Å
604I90.1Very high87.2Confident4 Ų443.8 Ų43.82%0.02122%0.222CC..Hα-helixtrans-60.5-49.2175.5-67.6168.4000110.6F497 L549 L594 I600 K601 Q606 L607 L608 L656F497-I604 HydrophobicContact CE2-CG2 4.01Å; F497-I604 HydrophobicContact CZ-CD1 4.21Å; F497-I604 HydrophobicContact CZ-CG2 4.11Å; L549-I604 HydrophobicContact CD1-CD1 4.28Å; L549-I604 HydrophobicContact CD2-CD1 4.48Å; L549-I604 HydrophobicContact CD2-CG2 3.69Å; L594-I604 HydrophobicContact CD1-CD1 4.1Å; I600-I604 HydrophobicContact CG2-CD1 3.9Å; I600-I604 HydrophobicContact CG2-CG1 4.44Å; I600-I604 WeakPolarHBondContact O-CG1 3.48Å; I600-I604 PolarHBondContact O-N 3Å; K601-I604 PolarHBondContact O-N 3.25Å; I604-Q606 VanDerWaalsContact C-N 3.27Å; I604-Q606 PolarHBondContact O-N 3.38Å; I604-L607 WeakPolarHBondContact O-CB 3.39Å; I604-L607 PolarHBondContact O-N 3.28Å; I604-L607 VanDerWaalsContact O-N 3.13Å; I604-L608 HydrophobicContact CG2-CD1 4.33Å; I604-L608 HydrophobicContact CG2-CG 4.43Å; I604-L608 WeakPolarHBondContact O-CG 3.23Å; I604-L608 PolarHBondContact O-N 3.4Å; I604-L656 HydrophobicContact CD1-CD1 4.43Å; I604-L656 HydrophobicContact CG1-CD1 3.88Å; I604-L656 HydrophobicContact CG1-CD2 4.24Å
605L89.3Confident87.3Confident65 Ų6544 Ų4434%0.3422%0.223SC..Hα-helixtrans-61.3-36.4179.7-70.6174.1000112.3F497 K601 L602 L608 N609F497-L605 HydrophobicContact CD2-CD2 4.49Å; K601-L605 HydrophobicContact CG-CD1 4.19Å; K601-L605 WeakPolarHBondContact O-CG 3.06Å; K601-L605 PolarHBondContact O-N 3.21Å; L602-L605 PolarHBondContact O-N 3.07Å; L605-L608 HydrophobicContact CD2-CD1 4.38Å; L605-L608 PolarHBondContact O-N 3.15Å; L605-N609 WeakPolarHBondContact O-CB 3.45Å; L605-N609 PolarHBondContact O-N 3.33Å
606Q88.8Confident87.2Confident81 Ų8144.9 Ų44.938%0.37923%0.228SC..Hα-helixtrans-68.1-40.7174.4-75.1169.2-2600112L602 C603 I604 L608 N609 Y610 Q652L602-Q606 WeakPolarHBondContact O-CB 3.36Å; L602-Q606 VanDerWaalsContact O-CG 3.28Å; L602-Q606 WeakPolarHBondContact O-CG 2.99Å; L602-Q606 PolarHBondContact O-N 3.36Å; C603-Q606 PolarHBondContact O-N 3.16Å; I604-Q606 VanDerWaalsContact C-N 3.27Å; I604-Q606 PolarHBondContact O-N 3.38Å; Q606-L608 VanDerWaalsContact C-N 3.33Å; Q606-L608 PolarHBondContact O-N 2.9Å; Q606-N609 WeakPolarHBondContact O-CB 3.34Å; Q606-N609 PolarHBondContact O-N 3.26Å; Q606-Y610 HydrophobicContact CB-CE2 4.26Å; Q606-Y610 WeakPolarHBondContact O-CD2 3.49Å; Q606-Y610 PolarHBondContact O-N 2.91Å; Q606-Q652 HydrophobicContact CB-CG 4.41Å
607L90.3Very high87.1Confident8 Ų841 Ų414%0.04221%0.212CC..Hα-helixtrans-58.4-45.7172.7-76.1166.3000111.5C603 I604 N609 Y610 C611 F649 Q652 A653 L656C603-L607 WeakPolarHBondContact O-CG 3.34Å; C603-L607 PolarHBondContact O-N 2.86Å; I604-L607 WeakPolarHBondContact O-CB 3.39Å; I604-L607 PolarHBondContact O-N 3.28Å; I604-L607 VanDerWaalsContact O-N 3.13Å; L607-N609 VanDerWaalsContact C-N 3.32Å; L607-N609 PolarHBondContact O-N 3.46Å; L607-Y610 PolarHBondContact O-N 2.99Å; L607-C611 PolarHBondContact O-N 3.06Å; L607-C611 PolarHBondContact O-SG 2.91Å; L607-F649 HydrophobicContact CB-CE2 4.46Å; L607-F649 HydrophobicContact CD2-CD2 3.58Å; L607-F649 HydrophobicContact CD2-CE2 3.49Å; L607-F649 VanDerWaalsContact CD2-CE2 3.49Å; L607-F649 HydrophobicContact CD2-CG 4.38Å; L607-F649 HydrophobicContact CD2-CZ 4.22Å; L607-Q652 HydrophobicContact CD2-CB 3.84Å; L607-Q652 HydrophobicContact CD2-CG 4.35Å; L607-Q652 HydrophobicContact CG-CB 4.25Å; L607-Q652 HydrophobicContact CG-CG 4.2Å; L607-A653 HydrophobicContact CD2-CB 4.09Å; L607-L656 HydrophobicContact CD1-CB 4.07Å; L607-L656 HydrophobicContact CD1-CD2 3.6Å; L607-L656 HydrophobicContact CD1-CG 4.41Å
608L90.7Very high86.9Confident10 Ų1038.7 Ų38.75%0.05220%0.201CC..Hα-helixtrans-60.4-42.7176-61.9177.8000111.6A500 I501 T504 I546 I604 L605 Q606 C611 C612A500-L608 HydrophobicContact CB-CD1 4.16Å; I501-L608 HydrophobicContact CG1-CD1 3.76Å; I501-L608 HydrophobicContact CG1-CD2 4.32Å; T504-L608 HydrophobicContact CG2-CB 4.36Å; T504-L608 HydrophobicContact CG2-CD2 3.99Å; I546-L608 HydrophobicContact CD1-CD2 3.93Å; I546-L608 HydrophobicContact CG1-CD2 4.09Å; I604-L608 HydrophobicContact CG2-CD1 4.33Å; I604-L608 HydrophobicContact CG2-CG 4.43Å; I604-L608 WeakPolarHBondContact O-CG 3.23Å; I604-L608 PolarHBondContact O-N 3.4Å; L605-L608 HydrophobicContact CD2-CD1 4.38Å; L605-L608 PolarHBondContact O-N 3.15Å; Q606-L608 VanDerWaalsContact C-N 3.33Å; Q606-L608 PolarHBondContact O-N 2.9Å; L608-C611 WeakPolarHBondContact O-CB 3.03Å; L608-C611 PolarHBondContact O-N 3.04Å; L608-C612 PolarHBondContact O-N 3.14Å; L608-C612 PolarHBondContact O-SG 3.3Å
609N88.5Confident86.7Confident69 Ų6936.7 Ų36.737%0.36919%0.186SC..Hα-helixtrans-63-43.2176.7-172.220.4000112L605 Q606 L607 C611 C612 Q613L605-N609 WeakPolarHBondContact O-CB 3.45Å; L605-N609 PolarHBondContact O-N 3.33Å; Q606-N609 WeakPolarHBondContact O-CB 3.34Å; Q606-N609 PolarHBondContact O-N 3.26Å; L607-N609 VanDerWaalsContact C-N 3.32Å; L607-N609 PolarHBondContact O-N 3.46Å; N609-C611 PolarHBondContact O-N 3.3Å; N609-C612 PolarHBondContact O-N 3.38Å; N609-Q613 VanDerWaalsContact CG-NE2 3.27Å; N609-Q613 PolarHBondContact ND2-NE2 3.09Å; N609-Q613 VanDerWaalsContact ND2-NE2 3.15Å; N609-Q613 WeakPolarHBondContact O-CB 3.32Å; N609-Q613 VanDerWaalsContact O-CG 3.32Å; N609-Q613 WeakPolarHBondContact O-CG 3.33Å; N609-Q613 PolarHBondContact O-N 2.62Å; N609-Q613 PolarHBondContact OD1-NE2 2.98Å
610Y88.4Confident86.1Confident46 Ų4634.5 Ų34.518%0.1817%0.172CC..Hα-helixtrans-62.9-40.8175.3-66.8-45.5000112.1Q606 L607 C612 Q613 F614 M645 K648 Q652Q606-Y610 HydrophobicContact CB-CE2 4.26Å; Q606-Y610 WeakPolarHBondContact O-CD2 3.49Å; Q606-Y610 PolarHBondContact O-N 2.91Å; L607-Y610 PolarHBondContact O-N 2.99Å; Y610-C612 VanDerWaalsContact C-N 3.34Å; Y610-C612 PolarHBondContact O-N 2.87Å; Y610-Q613 PolarHBondContact O-N 2.96Å; Y610-F614 WeakPolarHBondContact O-CB 3.31Å; Y610-F614 PolarHBondContact O-N 3.09Å; Y610-M645 HydrophobicContact CD1-CG 4.31Å; Y610-K648 HydrophobicContact CE1-CB 4.19Å; Y610-K648 HydrophobicContact CE1-CD 4.32Å; Y610-K648 HydrophobicContact CE2-CB 4.35Å; Y610-Q652 HydrophobicContact CD2-CB 4.44Å; Y610-Q652 HydrophobicContact CE2-CB 4.14Å; Y610-Q652 HydrophobicContact CE2-CG 4.16Å
611C89.1Confident85.3Confident1 Ų135.3 Ų35.31%0.00718%0.175CC..Hα-helixtrans-60-43.6173.3-67.20000112T504 L508 M542 I546 L607 L608 N609 F614 V615 F649T504-C611 HydrophobicContact CG2-CB 3.4Å; L508-C611 HydrophobicContact CD1-CB 4.35Å; L508-C611 HydrophobicContact CD2-CB 4.46Å; M542-C611 HydrophobicContact SD-CB 4.39Å; I546-C611 HydrophobicContact CD1-CB 4.21Å; L607-C611 PolarHBondContact O-N 3.06Å; L607-C611 PolarHBondContact O-SG 2.91Å; L608-C611 WeakPolarHBondContact O-CB 3.03Å; L608-C611 PolarHBondContact O-N 3.04Å; N609-C611 PolarHBondContact O-N 3.3Å; C611-F614 WeakPolarHBondContact O-CB 3.35Å; C611-F614 PolarHBondContact O-N 3Å; C611-V615 WeakPolarHBondContact O-CG2 3.46Å; C611-V615 PolarHBondContact O-N 2.65Å; C611-F649 WeakPolarHBondContact SG-CE2 3.46Å
612C86.5Confident84.3Confident21 Ų2135.2 Ų35.214%0.14217%0.173CC..Hα-helixtrans-64-46.7176.2-73.70000112.2K507 L608 N609 Y610 F614 V615 D616K507-C612 HydrophobicContact CD-CB 4.43Å; L608-C612 PolarHBondContact O-N 3.14Å; L608-C612 PolarHBondContact O-SG 3.3Å; N609-C612 PolarHBondContact O-N 3.38Å; Y610-C612 VanDerWaalsContact C-N 3.34Å; Y610-C612 PolarHBondContact O-N 2.87Å; C612-F614 VanDerWaalsContact C-N 3.32Å; C612-F614 PolarHBondContact O-N 2.94Å; C612-V615 PolarHBondContact O-N 3.45Å; C612-D616 PolarHBondContact O-N 3.32Å
613Q86.2Confident83.2Confident59 Ų5933 Ų3328%0.27616%0.159SC..Hα-helixtrans-62.9-37.6177.8-72.7175.823.200112.2N609 Y610 V615 D616 L617N609-Q613 VanDerWaalsContact CG-NE2 3.27Å; N609-Q613 PolarHBondContact ND2-NE2 3.09Å; N609-Q613 VanDerWaalsContact ND2-NE2 3.15Å; N609-Q613 WeakPolarHBondContact O-CB 3.32Å; N609-Q613 VanDerWaalsContact O-CG 3.32Å; N609-Q613 WeakPolarHBondContact O-CG 3.33Å; N609-Q613 PolarHBondContact O-N 2.62Å; N609-Q613 PolarHBondContact OD1-NE2 2.98Å; Y610-Q613 PolarHBondContact O-N 2.96Å; Q613-V615 VanDerWaalsContact C-N 3.34Å; Q613-V615 PolarHBondContact O-N 3.09Å; Q613-D616 PolarHBondContact O-N 3.46Å; Q613-L617 WeakPolarHBondContact O-CB 3.49Å; Q613-L617 VanDerWaalsContact O-CG 3.31Å; Q613-L617 WeakPolarHBondContact O-CG 3.09Å; Q613-L617 PolarHBondContact O-N 3.26Å
614F88.2Confident81.9Confident1 Ų137.9 Ų37.90%0.00418%0.178CC..Hα-helixtrans-56.9-48.1173.8175.2-114.6000111.7F511 R535 V538 R539 M542 Y610 C611 C612 S618 V642 M645 V646F511-F614 HydrophobicContact CD1-CE1 4.42Å; F511-F614 AromaticContact CE1-CE1 3.8Å; F511-F614 HydrophobicContact CE1-CE1 3.8Å; F511-F614 HydrophobicContact CE1-CZ 4.28Å; F511-F614 HydrophobicContact CZ-CE1 4.28Å; F511-F614 HydrophobicContact CZ-CZ 4.49Å; R535-F614 HydrophobicContact CB-CZ 4.26Å; R535-F614 HydrophobicContact CG-CZ 4.41Å; V538-F614 HydrophobicContact CB-CE2 4.38Å; V538-F614 HydrophobicContact CB-CZ 4.04Å; V538-F614 HydrophobicContact CG1-CD2 4.37Å; V538-F614 HydrophobicContact CG1-CE1 4.26Å; V538-F614 HydrophobicContact CG1-CE2 3.89Å; V538-F614 HydrophobicContact CG1-CZ 3.83Å; R539-F614 HydrophobicContact CB-CE1 4.11Å; M542-F614 HydrophobicContact CE-CB 3.73Å; M542-F614 HydrophobicContact CE-CD1 4.04Å; M542-F614 HydrophobicContact CE-CD2 4.27Å; M542-F614 HydrophobicContact CE-CG 3.73Å; M542-F614 HydrophobicContact SD-CB 3.97Å; M542-F614 HydrophobicContact SD-CD1 3.52Å; M542-F614 VanDerWaalsContact SD-CD1 3.52Å; M542-F614 HydrophobicContact SD-CE1 4.2Å; M542-F614 HydrophobicContact SD-CG 3.84Å; Y610-F614 WeakPolarHBondContact O-CB 3.31Å; Y610-F614 PolarHBondContact O-N 3.09Å; C611-F614 WeakPolarHBondContact O-CB 3.35Å; C611-F614 PolarHBondContact O-N 3Å; C612-F614 VanDerWaalsContact C-N 3.32Å; C612-F614 PolarHBondContact O-N 2.94Å; F614-S618 WeakPolarHBondContact CE2-OG 3.46Å; F614-S618 WeakPolarHBondContact O-CB 3.31Å; F614-S618 PolarHBondContact O-N 3.08Å; F614-S618 PolarHBondContact O-OG 3.08Å; F614-V642 HydrophobicContact CD2-CG1 4.17Å; F614-V642 HydrophobicContact CE2-CG1 4.02Å; F614-M645 HydrophobicContact CB-CE 3.29Å; F614-M645 HydrophobicContact CB-SD 3.89Å; F614-M645 HydrophobicContact CD2-CE 3.28Å; F614-M645 HydrophobicContact CE2-CE 4.41Å; F614-M645 HydrophobicContact CG-CE 3.66Å; F614-V646 HydrophobicContact CD2-CG2 4.23Å; F614-V646 HydrophobicContact CE2-CG2 4.26Å
615V85.7Confident80.5Confident4 Ų440 Ų402%0.02419%0.189CC..Hα-helixtrans-64.1-45179173.80000110.4K507 L508 F511 C611 C612 Q613 S618 N619K507-V615 HydrophobicContact CD-CB 4.44Å; K507-V615 HydrophobicContact CD-CG1 4.39Å; K507-V615 HydrophobicContact CG-CB 4.11Å; K507-V615 HydrophobicContact CG-CG1 3.81Å; K507-V615 HydrophobicContact CG-CG2 4.25Å; L508-V615 HydrophobicContact CD2-CG2 3.74Å; F511-V615 HydrophobicContact CB-CG1 3.94Å; F511-V615 HydrophobicContact CB-CG2 3.95Å; F511-V615 HydrophobicContact CD2-CG1 3.94Å; F511-V615 HydrophobicContact CD2-CG2 4.45Å; F511-V615 HydrophobicContact CG-CG1 4.18Å; F511-V615 HydrophobicContact CG-CG2 4.07Å; C611-V615 WeakPolarHBondContact O-CG2 3.46Å; C611-V615 PolarHBondContact O-N 2.65Å; C612-V615 PolarHBondContact O-N 3.45Å; Q613-V615 VanDerWaalsContact C-N 3.34Å; Q613-V615 PolarHBondContact O-N 3.09Å; V615-S618 PolarHBondContact O-N 3.31Å; V615-N619 VanDerWaalsContact O-CB 3.3Å; V615-N619 WeakPolarHBondContact O-CB 3.44Å; V615-N619 VanDerWaalsContact O-CG 3.24Å; V615-N619 PolarHBondContact O-N 2.98Å; V615-N619 PolarHBondContact O-ND2 3.07Å
616D83.1Confident78.9Confident42 Ų4239.9 Ų39.923%0.22519%0.187CC..Hα-helixtrans-63.5-47-179.3-66.7-34.1000112.2K507 C612 Q613 N619 Q620K507-D616 VanDerWaalsContact CE-OD1 3.24Å; K507-D616 WeakPolarHBondContact CE-OD1 3.48Å; K507-D616 IonicContact NZ-OD1 2.98Å; K507-D616 PolarHBondContact NZ-OD1 3.25Å; K507-D616 IonicContact NZ-OD2 3.47Å; K507-D616 PolarHBondContact NZ-OD2 3.44Å; C612-D616 PolarHBondContact O-N 3.32Å; Q613-D616 PolarHBondContact O-N 3.46Å; D616-N619 PolarHBondContact O-N 3.21Å; D616-Q620 VanDerWaalsContact O-CG 3.31Å; D616-Q620 WeakPolarHBondContact O-CG 3.36Å; D616-Q620 PolarHBondContact O-N 2.94Å
617L82Confident77.3Confident36 Ų3640.1 Ų40.119%0.18819%0.19CC..Hα-helixtrans-66.7-41.3177.5-70.2172.5000112Q613 N619 Q620 Q621 V642Q613-L617 WeakPolarHBondContact O-CB 3.49Å; Q613-L617 VanDerWaalsContact O-CG 3.31Å; Q613-L617 WeakPolarHBondContact O-CG 3.09Å; Q613-L617 PolarHBondContact O-N 3.26Å; L617-N619 VanDerWaalsContact C-N 3.32Å; L617-N619 PolarHBondContact O-N 2.85Å; L617-Q620 WeakPolarHBondContact O-CB 3.42Å; L617-Q620 PolarHBondContact O-N 2.79Å; L617-Q621 PolarHBondContact O-N 2.88Å; L617-V642 HydrophobicContact CB-CG2 3.9Å
618S79.3Confident75.6Confident0 Ų043.8 Ų43.80%021%0.208CC..Hα-helixtrans-65.5-36.2178.8-64.20000112.2F511 F614 V615 Y622F511-S618 VanDerWaalsContact CE2-CB 3.45Å; F614-S618 WeakPolarHBondContact CE2-OG 3.46Å; F614-S618 WeakPolarHBondContact O-CB 3.31Å; F614-S618 PolarHBondContact O-N 3.08Å; F614-S618 PolarHBondContact O-OG 3.08Å; V615-S618 PolarHBondContact O-N 3.31Å; S618-Y622 PolarHBondContact O-N 3.4Å; S618-Y622 VanDerWaalsContact O-N 3.15Å
619N78.4Confident73.8Confident39 Ų3950.2 Ų50.221%0.20924%0.243CC..Hα-helixtrans-70.8-36.4174.2-75.6-15.3000112F511 V615 D616 L617 Y622 Y623F511-N619 WeakPolarHBondContact CD2-OD1 3.09Å; F511-N619 WeakPolarHBondContact CE2-OD1 3.41Å; V615-N619 VanDerWaalsContact O-CB 3.3Å; V615-N619 WeakPolarHBondContact O-CB 3.44Å; V615-N619 VanDerWaalsContact O-CG 3.24Å; V615-N619 PolarHBondContact O-N 2.98Å; V615-N619 PolarHBondContact O-ND2 3.07Å; D616-N619 PolarHBondContact O-N 3.21Å; L617-N619 VanDerWaalsContact C-N 3.32Å; L617-N619 PolarHBondContact O-N 2.85Å; N619-Y622 PolarHBondContact O-N 3.49Å; N619-Y623 PolarHBondContact O-N 2.96Å; N619-Y623 VanDerWaalsContact O-N 3.15Å
620Q75.1Confident72Confident65 Ų6551.9 Ų51.930%0.30425%0.249SC..Hα-helixtrans-63.8-45.5171.8-74.7174.8000111.7I400 D616 L617 Y622 Y623 Y624 L638I400-Q620 HydrophobicContact CD1-CG 3.78Å; D616-Q620 VanDerWaalsContact O-CG 3.31Å; D616-Q620 WeakPolarHBondContact O-CG 3.36Å; D616-Q620 PolarHBondContact O-N 2.94Å; L617-Q620 WeakPolarHBondContact O-CB 3.42Å; L617-Q620 PolarHBondContact O-N 2.79Å; Q620-Y622 VanDerWaalsContact C-N 3.28Å; Q620-Y622 PolarHBondContact O-N 3.38Å; Q620-Y623 WeakPolarHBondContact O-CB 3.37Å; Q620-Y623 PolarHBondContact O-N 3.49Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.47Å; Q620-Y624 PolarHBondContact O-N 2.99Å; Q620-Y624 VanDerWaalsContact O-N 3.07Å; Q620-L638 HydrophobicContact CB-CD2 4.36Å
621Q69Low70.3Confident23 Ų2355.5 Ų55.511%0.10727%0.272CS..Hα-helixtrans-57.4-44.4177.5-167.6173.4-14.800111.4L617 Y623 Y624 D625 L638L617-Q621 PolarHBondContact O-N 2.88Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 PolarHBondContact O-N 3.4Å; Q621-Y624 PolarHBondContact O-N 3.24Å; Q621-D625 WeakPolarHBondContact O-CB 2.82Å; Q621-D625 PolarHBondContact O-N 3.03Å; Q621-L638 HydrophobicContact CB-CD2 3.58Å; Q621-L638 HydrophobicContact CG-CD2 4.04Å
622Y65.6Low68.9Low72 Ų7261.3 Ų61.328%0.28230%0.303SS..Hα-helixtrans-57.8-42.9174171.7-98.5000112.8L518 S618 N619 Q620 Y624 H626L518-Y622 HydrophobicContact CD1-CD2 3.43Å; L518-Y622 VanDerWaalsContact CD1-CD2 3.43Å; L518-Y622 HydrophobicContact CD1-CE1 4.47Å; L518-Y622 HydrophobicContact CD1-CE2 3.29Å; L518-Y622 HydrophobicContact CD1-CG 4.1Å; L518-Y622 HydrophobicContact CD2-CD2 4.34Å; L518-Y622 HydrophobicContact CD2-CE1 4.48Å; L518-Y622 HydrophobicContact CD2-CE2 3.33Å; L518-Y622 VanDerWaalsContact CD2-CZ 3.43Å; L518-Y622 WeakPolarHBondContact CD2-OH 3.42Å; L518-Y622 HydrophobicContact CG-CD2 4.48Å; L518-Y622 HydrophobicContact CG-CE2 3.9Å; S618-Y622 PolarHBondContact O-N 3.4Å; S618-Y622 VanDerWaalsContact O-N 3.15Å; N619-Y622 PolarHBondContact O-N 3.49Å; Q620-Y622 VanDerWaalsContact C-N 3.28Å; Q620-Y622 PolarHBondContact O-N 3.38Å; Y622-Y624 VanDerWaalsContact C-N 3.35Å; Y622-Y624 PolarHBondContact O-N 3.18Å; Y622-H626 AromaticContact CD2-CD2 3.62Å; Y622-H626 HydrophobicContact CE2-CB 4.34Å; Y622-H626 AromaticContact CE2-CD2 3.22Å; Y622-H626 WeakPolarHBondContact CE2-CD2 3.41Å; Y622-H626 PolarHBondContact O-N 3.41Å
623Y64.1Low67.5Low45 Ų4566.2 Ų66.218%0.17633%0.328CS..Hα-helixtrans-62.7-41.1178.7-172.6-95.3000112.1C398 N619 Q620 Q621 L627 M628C398-Y623 WeakPolarHBondContact O-CE2 3.44Å; N619-Y623 PolarHBondContact O-N 2.96Å; N619-Y623 VanDerWaalsContact O-N 3.15Å; Q620-Y623 WeakPolarHBondContact O-CB 3.37Å; Q620-Y623 PolarHBondContact O-N 3.49Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 PolarHBondContact O-N 3.4Å; Y623-L627 HydrophobicContact CD2-CB 4.48Å; Y623-L627 HydrophobicContact CE2-CB 4.36Å; Y623-L627 HydrophobicContact CE2-CD2 3.72Å; Y623-L627 HydrophobicContact CE2-CG 4.5Å; Y623-L627 WeakPolarHBondContact O-CB 3.34Å; Y623-L627 PolarHBondContact O-N 3.25Å; Y623-M628 HydrophobicContact CE1-CE 3.73Å; Y623-M628 HydrophobicContact CE1-CG 4.1Å; Y623-M628 WeakPolarHBondContact OH-CE 3.46Å
624Y61.9Low66Low105 Ų10568.8 Ų68.841%0.41234%0.34SS..Iπ-helixtrans-72.2-44.7178.8-73.3-69.5000112.9Q620 Q621 Y622 H626 L638Q620-Y624 WeakPolarHBondContact O-CD2 3.47Å; Q620-Y624 PolarHBondContact O-N 2.99Å; Q620-Y624 VanDerWaalsContact O-N 3.07Å; Q621-Y624 PolarHBondContact O-N 3.24Å; Y622-Y624 VanDerWaalsContact C-N 3.35Å; Y622-Y624 PolarHBondContact O-N 3.18Å; Y624-H626 VanDerWaalsContact C-N 3.3Å; Y624-H626 PolarHBondContact O-N 3.34Å; Y624-L638 HydrophobicContact CD2-CD2 4.26Å
625D59.9Low64.7Low48 Ų4870 Ų7026%0.25735%0.346SS..Iπ-helixtrans-61.6-35.2179.7-79.9-20.5000113.1Q621 N635Q621-D625 WeakPolarHBondContact O-CB 2.82Å; Q621-D625 PolarHBondContact O-N 3.03Å; D625-N635 PolarHBondContact OD1-ND2 3.16Å; D625-N635 PolarHBondContact OD1-OD1 3.23Å
626H57Low63.7Low63 Ų6375.4 Ų75.429%0.29237%0.371SS..Iπ-helixtrans-107.7-33-171.3-90.2-57000116Y622 Y624Y622-H626 AromaticContact CD2-CD2 3.62Å; Y622-H626 HydrophobicContact CE2-CB 4.34Å; Y622-H626 AromaticContact CE2-CD2 3.22Å; Y622-H626 WeakPolarHBondContact CE2-CD2 3.41Å; Y622-H626 PolarHBondContact O-N 3.41Å; Y624-H626 VanDerWaalsContact C-N 3.3Å; Y624-H626 PolarHBondContact O-N 3.34Å
627L54.8Low63Low85 Ų8578.6 Ų78.645%0.44539%0.385SS..Iπ-helixtrans-99.1-30.2-173-122.393000113.8Y623Y623-L627 HydrophobicContact CD2-CB 4.48Å; Y623-L627 HydrophobicContact CE2-CB 4.36Å; Y623-L627 HydrophobicContact CE2-CD2 3.72Å; Y623-L627 HydrophobicContact CE2-CG 4.5Å; Y623-L627 WeakPolarHBondContact O-CB 3.34Å; Y623-L627 PolarHBondContact O-N 3.25Å
628M54.4Low62.3Low86 Ų8678 Ų7842%0.42438%0.381SS..Iπ-helixtrans-112.3-13.4-168.4-63-63.6168.500114.7Y623 M630Y623-M628 HydrophobicContact CE1-CE 3.73Å; Y623-M628 HydrophobicContact CE1-CG 4.1Å; Y623-M628 WeakPolarHBondContact OH-CE 3.46Å; M628-M630 HydrophobicContact CB-CG 3.83Å; M628-M630 PolarHBondContact O-N 3.38Å; M628-M630 VanDerWaalsContact O-N 3.12Å
629N53.3Low62.1Low145 Ų14580.6 Ų80.678%0.77540%0.4SS*.  trans4345.2-177-74.4-15.6000112.1
630M49.9Very low62Low103 Ų10383.9 Ų83.951%0.50742%0.417SS..  trans-84.2155.9-177.3-77.1-69.2-142.500111.5M628M628-M630 HydrophobicContact CB-CG 3.83Å; M628-M630 PolarHBondContact O-N 3.38Å; M628-M630 VanDerWaalsContact O-N 3.12Å
631D52.6Low62.2Low123 Ų12386.3 Ų86.366%0.65843%0.427SS*.  trans-44.8139.7-171.3-64.5-39.9000114.3D633 H634D631-D633 PolarHBondContact O-N 3.42Å; D631-H634 PolarHBondContact O-N 2.98Å
632D59.2Low62.8Low123 Ų12385.9 Ų85.966%0.65843%0.425SS*.Hα-helixtrans-49.6-31.9-179-75.8-38.3000112.9H634 N635 H636D632-H634 PolarHBondContact O-N 2.98Å; D632-N635 PolarHBondContact O-N 3.43Å; D632-H636 PolarHBondContact O-N 3.06Å; D632-H636 PolarHBondContact O-ND1 3.45Å
633D56.7Low63.6Low124 Ų12485.8 Ų85.866%0.66343%0.428SS*.Hα-helixtrans-61.7-40.2179.1-92.9-7.6000113.6D631 Q637D631-D633 PolarHBondContact O-N 3.42Å; D633-Q637 WeakPolarHBondContact O-CG 3.2Å; D633-Q637 PolarHBondContact O-N 3.41Å
634H56.1Low64.6Low113 Ų11388.5 Ų88.552%0.52344%0.442SS..Hα-helixtrans-72.3-35.9179.1-81.2-18.1000112D631 D632 Q637 L638D631-H634 PolarHBondContact O-N 2.98Å; D632-H634 PolarHBondContact O-N 2.98Å; H634-Q637 PolarHBondContact O-N 3.37Å; H634-L638 WeakPolarHBondContact O-CB 3.43Å; H634-L638 PolarHBondContact O-N 3.36Å
635N60.3Low65.7Low27 Ų2783.9 Ų83.914%0.14442%0.424CS..Hα-helixtrans-66.3-40.7174.7-81.5-8.8000111.9D625 D632 L638 S639D625-N635 PolarHBondContact OD1-ND2 3.16Å; D625-N635 PolarHBondContact OD1-OD1 3.23Å; D632-N635 PolarHBondContact O-N 3.43Å; N635-L638 PolarHBondContact O-N 2.87Å; N635-S639 WeakPolarHBondContact O-CB 3.43Å; N635-S639 PolarHBondContact O-N 2.99Å
636H65.2Low66.9Low117 Ų11781.8 Ų81.854%0.54241%0.413SS..Hα-helixtrans-61.5-48.5173.4-78.878.8000111.3D632 L638 S639 D640D632-H636 PolarHBondContact O-N 3.06Å; D632-H636 PolarHBondContact O-ND1 3.45Å; H636-L638 VanDerWaalsContact C-N 3.26Å; H636-L638 PolarHBondContact O-N 3.31Å; H636-S639 PolarHBondContact O-N 3.35Å; H636-D640 VanDerWaalsContact O-CG 3.3Å; H636-D640 PolarHBondContact O-N 3.3Å
637Q69.1Low68.3Low109 Ų10982.8 Ų82.851%0.50942%0.421SS..Hα-helixtrans-58.9-36.1177.1-74.9179.42.400113.3D633 H634 K641D633-Q637 WeakPolarHBondContact O-CG 3.2Å; D633-Q637 PolarHBondContact O-N 3.41Å; H634-Q637 PolarHBondContact O-N 3.37Å; Q637-K641 WeakPolarHBondContact O-CG 3.34Å; Q637-K641 PolarHBondContact O-N 3.19Å
638L66.8Low69.9Low23 Ų2383 Ų8312%0.1242%0.418CS..Hα-helixtrans-74.3-41179-146.379.5000111.5Q620 Q621 Y624 H634 N635 H636 D640 K641 V642Q620-L638 HydrophobicContact CB-CD2 4.36Å; Q621-L638 HydrophobicContact CB-CD2 3.58Å; Q621-L638 HydrophobicContact CG-CD2 4.04Å; Y624-L638 HydrophobicContact CD2-CD2 4.26Å; H634-L638 WeakPolarHBondContact O-CB 3.43Å; H634-L638 PolarHBondContact O-N 3.36Å; N635-L638 PolarHBondContact O-N 2.87Å; H636-L638 VanDerWaalsContact C-N 3.26Å; H636-L638 PolarHBondContact O-N 3.31Å; L638-D640 VanDerWaalsContact C-N 3.33Å; L638-D640 PolarHBondContact O-N 3.38Å; L638-K641 WeakPolarHBondContact O-CB 3.49Å; L638-K641 PolarHBondContact O-N 3.06Å; L638-V642 WeakPolarHBondContact O-CG2 3.25Å; L638-V642 PolarHBondContact O-N 3.23Å
639S74Confident71.5Confident55 Ų5579 Ų7939%0.38540%0.398SS..Hα-helixtrans-60.5-42.2173.7-172.80000111.7N635 H636 K641 V642 Q643N635-S639 WeakPolarHBondContact O-CB 3.43Å; N635-S639 PolarHBondContact O-N 2.99Å; H636-S639 PolarHBondContact O-N 3.35Å; S639-K641 PolarHBondContact O-N 2.98Å; S639-V642 PolarHBondContact O-N 3.08Å; S639-Q643 PolarHBondContact O-N 3.45Å
640D77.7Confident73.1Confident108 Ų10875.8 Ų75.858%0.57838%0.376SS*.Hα-helixtrans-62.3-42.1176.3-71.7-18.7000111.6H636 L638 Q643 E644H636-D640 VanDerWaalsContact O-CG 3.3Å; H636-D640 PolarHBondContact O-N 3.3Å; L638-D640 VanDerWaalsContact C-N 3.33Å; L638-D640 PolarHBondContact O-N 3.38Å; D640-Q643 PolarHBondContact O-N 2.67Å; D640-E644 WeakPolarHBondContact O-CB 3.28Å; D640-E644 PolarHBondContact O-N 3.03Å
641K79.2Confident74.9Confident116 Ų11675.4 Ų75.450%0.50438%0.379SS..Hα-helixtrans-63.2-40.5174.9-76.6176.1-179.7177.50112.5Q637 L638 S639 M645Q637-K641 WeakPolarHBondContact O-CG 3.34Å; Q637-K641 PolarHBondContact O-N 3.19Å; L638-K641 WeakPolarHBondContact O-CB 3.49Å; L638-K641 PolarHBondContact O-N 3.06Å; S639-K641 PolarHBondContact O-N 2.98Å; K641-M645 WeakPolarHBondContact O-CB 3.49Å; K641-M645 PolarHBondContact O-N 3.2Å
642V81.5Confident76.6Confident13 Ų1371 Ų718%0.07936%0.355CS..Hα-helixtrans-62.5-48.3175.5172.10000109.5F614 L617 L638 S639 E644 M645 V646F614-V642 HydrophobicContact CD2-CG1 4.17Å; F614-V642 HydrophobicContact CE2-CG1 4.02Å; L617-V642 HydrophobicContact CB-CG2 3.9Å; L638-V642 WeakPolarHBondContact O-CG2 3.25Å; L638-V642 PolarHBondContact O-N 3.23Å; S639-V642 PolarHBondContact O-N 3.08Å; V642-E644 PolarHBondContact O-N 3.37Å; V642-M645 PolarHBondContact O-N 3.26Å; V642-V646 HydrophobicContact CG1-CG2 4.43Å; V642-V646 WeakPolarHBondContact O-CG2 3.23Å; V642-V646 PolarHBondContact O-N 2.89Å
643Q82.3Confident77.8Confident71 Ų7165.6 Ų65.633%0.33233%0.327SS..Hα-helixtrans-64.2-40.1179.8-169.860.245.800112.6S639 D640 M645 V646 N647S639-Q643 PolarHBondContact O-N 3.45Å; D640-Q643 PolarHBondContact O-N 2.67Å; Q643-M645 VanDerWaalsContact C-N 3.32Å; Q643-M645 PolarHBondContact O-N 3Å; Q643-V646 PolarHBondContact O-N 2.77Å; Q643-N647 PolarHBondContact NE2-OD1 3.02Å; Q643-N647 VanDerWaalsContact NE2-OD1 3.16Å; Q643-N647 VanDerWaalsContact O-CG 3.23Å; Q643-N647 PolarHBondContact O-N 2.95Å; Q643-N647 PolarHBondContact O-OD1 3.42Å
644E84.7Confident79.2Confident102 Ų10266.4 Ų66.448%0.47733%0.325SS..Hα-helixtrans-60.1-43.5174.5-168.6-166.3157.500111.3D640 V642 N647 K648D640-E644 WeakPolarHBondContact O-CB 3.28Å; D640-E644 PolarHBondContact O-N 3.03Å; V642-E644 PolarHBondContact O-N 3.37Å; E644-N647 PolarHBondContact O-N 2.93Å; E644-K648 WeakPolarHBondContact O-CG 3.4Å; E644-K648 PolarHBondContact O-N 3.36Å; E644-K648 WeakPolarHBondContact OE1-CE 3.47Å; E644-K648 IonicContact OE1-NZ 2.71Å; E644-K648 PolarHBondContact OE1-NZ 2.9Å
645M84.8Confident80.7Confident8 Ų864.6 Ų64.64%0.03932%0.319CS..Hα-helixtrans-65.4-41177179.9-68.5-49.200111.4M542 Y610 F614 K641 V642 Q643 N647 K648 F649M542-M645 HydrophobicContact CE-CE 4.11Å; M542-M645 HydrophobicContact CE-SD 4.11Å; Y610-M645 HydrophobicContact CD1-CG 4.31Å; F614-M645 HydrophobicContact CB-CE 3.29Å; F614-M645 HydrophobicContact CB-SD 3.89Å; F614-M645 HydrophobicContact CD2-CE 3.28Å; F614-M645 HydrophobicContact CE2-CE 4.41Å; F614-M645 HydrophobicContact CG-CE 3.66Å; K641-M645 WeakPolarHBondContact O-CB 3.49Å; K641-M645 PolarHBondContact O-N 3.2Å; V642-M645 PolarHBondContact O-N 3.26Å; Q643-M645 VanDerWaalsContact C-N 3.32Å; Q643-M645 PolarHBondContact O-N 3Å; M645-N647 VanDerWaalsContact C-N 3.32Å; M645-N647 PolarHBondContact O-N 3.34Å; M645-K648 WeakPolarHBondContact O-CB 3.16Å; M645-K648 PolarHBondContact O-N 3.33Å; M645-F649 PolarHBondContact O-N 3.12Å
646V85.2Confident81.9Confident4 Ų463.7 Ų63.72%0.02431%0.314CS..Hα-helixtrans-60.9-42.8175.2171.50000110.9V538 F614 V642 Q643 K648 F649 Y650V538-V646 HydrophobicContact CG1-CG1 4.1Å; V538-V646 HydrophobicContact CG1-CG2 3.65Å; V538-V646 HydrophobicContact CG2-CG1 3.99Å; V538-V646 HydrophobicContact CG2-CG2 4.21Å; F614-V646 HydrophobicContact CD2-CG2 4.23Å; F614-V646 HydrophobicContact CE2-CG2 4.26Å; V642-V646 HydrophobicContact CG1-CG2 4.43Å; V642-V646 WeakPolarHBondContact O-CG2 3.23Å; V642-V646 PolarHBondContact O-N 2.89Å; Q643-V646 PolarHBondContact O-N 2.77Å; V646-K648 PolarHBondContact O-N 2.89Å; V646-F649 WeakPolarHBondContact O-CB 3.28Å; V646-F649 PolarHBondContact O-N 2.83Å; V646-Y650 HydrophobicContact CG1-CD2 3.67Å; V646-Y650 HydrophobicContact CG1-CE2 3.31Å; V646-Y650 WeakPolarHBondContact O-CD2 3.48Å; V646-Y650 PolarHBondContact O-N 3.27Å
647N86.2Confident82.8Confident84 Ų8460.6 Ų60.645%0.44930%0.298SS..Hα-helixtrans-63.6-40.3175.9-67.7-12000111.9Q643 E644 M645 Y650 T651Q643-N647 PolarHBondContact NE2-OD1 3.02Å; Q643-N647 VanDerWaalsContact NE2-OD1 3.16Å; Q643-N647 VanDerWaalsContact O-CG 3.23Å; Q643-N647 PolarHBondContact O-N 2.95Å; Q643-N647 PolarHBondContact O-OD1 3.42Å; E644-N647 PolarHBondContact O-N 2.93Å; M645-N647 VanDerWaalsContact C-N 3.32Å; M645-N647 PolarHBondContact O-N 3.34Å; N647-Y650 PolarHBondContact O-N 3.1Å; N647-T651 WeakPolarHBondContact O-CB 3.27Å; N647-T651 PolarHBondContact O-N 3.42Å; N647-T651 PolarHBondContact O-OG1 3.03Å
648K87.6Confident83.4Confident89 Ų8958.6 Ų58.639%0.38729%0.291SS..Hα-helixtrans-61.9-42.8173.1-73.3173.2-175.7166.80111.4Y610 E644 M645 V646 T651 Q652Y610-K648 HydrophobicContact CE1-CB 4.19Å; Y610-K648 HydrophobicContact CE1-CD 4.32Å; Y610-K648 HydrophobicContact CE2-CB 4.35Å; E644-K648 WeakPolarHBondContact O-CG 3.4Å; E644-K648 PolarHBondContact O-N 3.36Å; E644-K648 WeakPolarHBondContact OE1-CE 3.47Å; E644-K648 IonicContact OE1-NZ 2.71Å; E644-K648 PolarHBondContact OE1-NZ 2.9Å; M645-K648 WeakPolarHBondContact O-CB 3.16Å; M645-K648 PolarHBondContact O-N 3.33Å; V646-K648 PolarHBondContact O-N 2.89Å; K648-T651 PolarHBondContact O-N 3.15Å; K648-Q652 WeakPolarHBondContact O-CB 2.92Å; K648-Q652 PolarHBondContact O-N 2.86Å
649F89Confident84.2Confident1 Ų159.4 Ų59.40%0.00430%0.295CS..Hα-helixtrans-58.7-50.9176.1174.4-94.2000111.7M542 I545 L607 C611 M645 V646 T651 Q652 A653M542-F649 HydrophobicContact CB-CE2 4.46Å; M542-F649 HydrophobicContact CB-CZ 4.08Å; M542-F649 HydrophobicContact CE-CB 4.17Å; M542-F649 HydrophobicContact CE-CD1 4.17Å; M542-F649 HydrophobicContact CE-CD2 4.12Å; M542-F649 HydrophobicContact CE-CG 3.87Å; M542-F649 HydrophobicContact CG-CD1 4.1Å; M542-F649 HydrophobicContact CG-CD2 4.21Å; M542-F649 HydrophobicContact CG-CE1 3.69Å; M542-F649 HydrophobicContact CG-CE2 3.82Å; M542-F649 HydrophobicContact CG-CG 4.35Å; M542-F649 HydrophobicContact CG-CZ 3.55Å; I545-F649 HydrophobicContact CD1-CE1 3.95Å; I545-F649 HydrophobicContact CD1-CZ 3.51Å; L607-F649 HydrophobicContact CB-CE2 4.46Å; L607-F649 HydrophobicContact CD2-CD2 3.58Å; L607-F649 HydrophobicContact CD2-CE2 3.49Å; L607-F649 VanDerWaalsContact CD2-CE2 3.49Å; L607-F649 HydrophobicContact CD2-CG 4.38Å; L607-F649 HydrophobicContact CD2-CZ 4.22Å; C611-F649 WeakPolarHBondContact SG-CE2 3.46Å; M645-F649 PolarHBondContact O-N 3.12Å; V646-F649 WeakPolarHBondContact O-CB 3.28Å; V646-F649 PolarHBondContact O-N 2.83Å; F649-T651 VanDerWaalsContact C-N 3.34Å; F649-T651 PolarHBondContact O-N 3.38Å; F649-Q652 PolarHBondContact O-N 3.2Å; F649-Q652 VanDerWaalsContact O-N 3.17Å; F649-A653 WeakPolarHBondContact O-CB 3.49Å; F649-A653 PolarHBondContact O-N 2.93Å
650Y87.7Confident84.6Confident79 Ų7956.9 Ų56.931%0.3128%0.277SS..Hα-helixtrans-63.3-39.9178.7-74.6-62.5000112.7H541 V646 N647 Q652 A653 K654H541-Y650 HydrophobicContact CB-CE1 4.31Å; H541-Y650 PolarHBondContact CD2-OH 3.26Å; V646-Y650 HydrophobicContact CG1-CD2 3.67Å; V646-Y650 HydrophobicContact CG1-CE2 3.31Å; V646-Y650 WeakPolarHBondContact O-CD2 3.48Å; V646-Y650 PolarHBondContact O-N 3.27Å; N647-Y650 PolarHBondContact O-N 3.1Å; Y650-Q652 VanDerWaalsContact C-N 3.29Å; Y650-Q652 PolarHBondContact O-N 2.95Å; Y650-A653 PolarHBondContact O-N 3.42Å; Y650-K654 WeakPolarHBondContact O-CB 3.49Å; Y650-K654 PolarHBondContact O-N 3.47Å
651T87Confident84.7Confident95 Ų9555.3 Ų55.358%0.58327%0.269SS*.Hα-helixtrans-60.4-42.8175-55.30000110.7N647 K648 F649 K654 L655N647-T651 WeakPolarHBondContact O-CB 3.27Å; N647-T651 PolarHBondContact O-N 3.42Å; N647-T651 PolarHBondContact O-OG1 3.03Å; K648-T651 PolarHBondContact O-N 3.15Å; F649-T651 VanDerWaalsContact C-N 3.34Å; F649-T651 PolarHBondContact O-N 3.38Å; T651-K654 PolarHBondContact O-N 2.85Å; T651-L655 WeakPolarHBondContact O-CB 3.42Å; T651-L655 PolarHBondContact O-N 3.48Å
652Q87.1Confident84.6Confident29 Ų2954.3 Ų54.314%0.13627%0.268CS..Hα-helixtrans-72.7-34.7179.7-148.368.5-1500112.9C603 Q606 L607 Y610 K648 F649 Y650 K654 L655 L656C603-Q652 PolarHBondContact SG-O 2.7Å; C603-Q652 VanDerWaalsContact SG-O 3.38Å; Q606-Q652 HydrophobicContact CB-CG 4.41Å; L607-Q652 HydrophobicContact CD2-CB 3.84Å; L607-Q652 HydrophobicContact CD2-CG 4.35Å; L607-Q652 HydrophobicContact CG-CB 4.25Å; L607-Q652 HydrophobicContact CG-CG 4.2Å; Y610-Q652 HydrophobicContact CD2-CB 4.44Å; Y610-Q652 HydrophobicContact CE2-CB 4.14Å; Y610-Q652 HydrophobicContact CE2-CG 4.16Å; K648-Q652 WeakPolarHBondContact O-CB 2.92Å; K648-Q652 PolarHBondContact O-N 2.86Å; F649-Q652 PolarHBondContact O-N 3.2Å; F649-Q652 VanDerWaalsContact O-N 3.17Å; Y650-Q652 VanDerWaalsContact C-N 3.29Å; Y650-Q652 PolarHBondContact O-N 2.95Å; Q652-K654 VanDerWaalsContact C-N 3.35Å; Q652-L655 WeakPolarHBondContact O-CB 3.48Å; Q652-L655 PolarHBondContact O-N 3.12Å; Q652-L656 PolarHBondContact O-N 2.92Å
653A86.4Confident84.3Confident10 Ų1054 Ų548%0.08327%0.266CS..Hα-helixtrans-66.5-40.4175.400000110.9I545 L607 F649 Y650 L656 Y657I545-A653 HydrophobicContact CD1-CB 3.7Å; L607-A653 HydrophobicContact CD2-CB 4.09Å; F649-A653 WeakPolarHBondContact O-CB 3.49Å; F649-A653 PolarHBondContact O-N 2.93Å; Y650-A653 PolarHBondContact O-N 3.42Å; A653-L656 WeakPolarHBondContact O-CB 3.31Å; A653-L656 PolarHBondContact O-N 3.25Å; A653-Y657 PolarHBondContact O-N 3.43Å
654K85Confident83.7Confident142 Ų14252.3 Ų52.362%0.61726%0.262SS*.Hα-helixtrans-63.3-45172.3-173.8175.1-179.7176.80111.5Y650 T651 Q652 L656 Y657 D658Y650-K654 WeakPolarHBondContact O-CB 3.49Å; Y650-K654 PolarHBondContact O-N 3.47Å; T651-K654 PolarHBondContact O-N 2.85Å; Q652-K654 VanDerWaalsContact C-N 3.35Å; K654-L656 VanDerWaalsContact C-N 3.3Å; K654-L656 PolarHBondContact O-N 3.46Å; K654-Y657 WeakPolarHBondContact O-CB 3.4Å; K654-Y657 PolarHBondContact O-N 3.11Å; K654-Y657 VanDerWaalsContact O-N 3.16Å; K654-D658 PolarHBondContact O-N 2.95Å
655L87Confident82.6Confident74 Ų7451.8 Ų51.839%0.38727%0.269SS..Hα-helixtrans-57.7-43.3174.4-178.969000111.6T651 Q652 D658 L659T651-L655 WeakPolarHBondContact O-CB 3.42Å; T651-L655 PolarHBondContact O-N 3.48Å; Q652-L655 WeakPolarHBondContact O-CB 3.48Å; Q652-L655 PolarHBondContact O-N 3.12Å; L655-D658 PolarHBondContact O-N 3.25Å; L655-L659 HydrophobicContact CD1-CD1 4.37Å; L655-L659 HydrophobicContact CD1-CG 4.29Å; L655-L659 HydrophobicContact CG-CD1 3.97Å; L655-L659 HydrophobicContact CG-CG 4.31Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 WeakPolarHBondContact O-CG 3.41Å; L655-L659 PolarHBondContact O-N 2.82Å
656L86.1Confident81.3Confident9 Ų955.9 Ų55.95%0.04730%0.295CS..Hα-helixtrans-58.8-48.5175.4179.464.1000111.1I600 C603 I604 L607 Q652 A653 K654 D658 L659 L660 L716I600-L656 HydrophobicContact CG2-CD1 3.86Å; C603-L656 HydrophobicContact CB-CD1 4.47Å; I604-L656 HydrophobicContact CD1-CD1 4.43Å; I604-L656 HydrophobicContact CG1-CD1 3.88Å; I604-L656 HydrophobicContact CG1-CD2 4.24Å; L607-L656 HydrophobicContact CD1-CB 4.07Å; L607-L656 HydrophobicContact CD1-CD2 3.6Å; L607-L656 HydrophobicContact CD1-CG 4.41Å; Q652-L656 PolarHBondContact O-N 2.92Å; A653-L656 WeakPolarHBondContact O-CB 3.31Å; A653-L656 PolarHBondContact O-N 3.25Å; K654-L656 VanDerWaalsContact C-N 3.3Å; K654-L656 PolarHBondContact O-N 3.46Å; L656-D658 PolarHBondContact O-N 3.2Å; L656-L659 PolarHBondContact O-N 3.21Å; L656-L660 HydrophobicContact CD1-CD1 4.09Å; L656-L660 HydrophobicContact CD1-CG 4.18Å; L656-L660 HydrophobicContact CG-CD1 3.88Å; L656-L660 HydrophobicContact CG-CG 4.38Å; L656-L660 WeakPolarHBondContact O-CB 3.38Å; L656-L660 WeakPolarHBondContact O-CG 3.49Å; L656-L660 PolarHBondContact O-N 3.28Å; L656-L716 HydrophobicContact CD2-CD1 4.5Å
657Y83.6Confident79.7Confident52 Ų5258 Ų5820%0.20432%0.318CS..Hα-helixtrans-59.6-45.7178.8-175.6-90.6000111.8A653 K654 L660 N661 L713 L716 D717A653-Y657 PolarHBondContact O-N 3.43Å; K654-Y657 WeakPolarHBondContact O-CB 3.4Å; K654-Y657 PolarHBondContact O-N 3.11Å; K654-Y657 VanDerWaalsContact O-N 3.16Å; Y657-L660 PolarHBondContact O-N 2.94Å; Y657-N661 WeakPolarHBondContact O-CB 3.21Å; Y657-N661 PolarHBondContact O-N 3.35Å; Y657-L713 HydrophobicContact CD2-CD1 4.21Å; Y657-L713 HydrophobicContact CE2-CD1 3.98Å; Y657-L713 HydrophobicContact CE2-CG 4.03Å; Y657-L716 HydrophobicContact CD2-CB 4.18Å; Y657-D717 HydrophobicContact CE2-CB 4.3Å
658D83Confident77.8Confident67 Ų6756.5 Ų56.536%0.35832%0.317SS..Hα-helixtrans-63.8-44.1178.3-68.2-23.5000111.6K654 L655 L656 L660 N661 I662K654-D658 PolarHBondContact O-N 2.95Å; L655-D658 PolarHBondContact O-N 3.25Å; L656-D658 PolarHBondContact O-N 3.2Å; D658-L660 VanDerWaalsContact C-N 3.35Å; D658-L660 PolarHBondContact O-N 3.5Å; D658-N661 PolarHBondContact O-N 3.24Å; D658-I662 WeakPolarHBondContact O-CD1 3.27Å; D658-I662 VanDerWaalsContact O-CG1 3.24Å; D658-I662 WeakPolarHBondContact O-CG1 3.36Å; D658-I662 PolarHBondContact O-N 3.11Å
659L83.7Confident75.9Confident40 Ų4059.9 Ų59.921%0.20933%0.332CS..Hα-helixtrans-62.1-41.3175.8-73.3174.3000112D599 I600 C603 L655 L656 I662 S663D599-L659 HydrophobicContact CB-CD1 4.46Å; I600-L659 HydrophobicContact CG1-CB 3.96Å; I600-L659 HydrophobicContact CG1-CD1 4.37Å; C603-L659 HydrophobicContact CB-CD1 4.39Å; L655-L659 HydrophobicContact CD1-CD1 4.37Å; L655-L659 HydrophobicContact CD1-CG 4.29Å; L655-L659 HydrophobicContact CG-CD1 3.97Å; L655-L659 HydrophobicContact CG-CG 4.31Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 WeakPolarHBondContact O-CG 3.41Å; L655-L659 PolarHBondContact O-N 2.82Å; L656-L659 PolarHBondContact O-N 3.21Å; L659-I662 PolarHBondContact O-N 3.47Å; L659-S663 WeakPolarHBondContact O-CB 3.46Å; L659-S663 PolarHBondContact O-N 3.05Å; L659-S663 PolarHBondContact O-OG 3.29Å
660L81.2Confident73.9Confident2 Ų260.8 Ų60.81%0.0134%0.338CS..Hα-helixtrans-64.4-42.8175.8-70.2170.4000110.7L594 I600 L656 Y657 D658 I662 S663 C664 L709 L712 L713 L716L594-L660 HydrophobicContact CD1-CD2 4.24Å; I600-L660 HydrophobicContact CD1-CD2 4.21Å; I600-L660 HydrophobicContact CG2-CD2 4.33Å; L656-L660 HydrophobicContact CD1-CD1 4.09Å; L656-L660 HydrophobicContact CD1-CG 4.18Å; L656-L660 HydrophobicContact CG-CD1 3.88Å; L656-L660 HydrophobicContact CG-CG 4.38Å; L656-L660 WeakPolarHBondContact O-CB 3.38Å; L656-L660 WeakPolarHBondContact O-CG 3.49Å; L656-L660 PolarHBondContact O-N 3.28Å; Y657-L660 PolarHBondContact O-N 2.94Å; D658-L660 VanDerWaalsContact C-N 3.35Å; D658-L660 PolarHBondContact O-N 3.5Å; L660-I662 PolarHBondContact O-N 3.32Å; L660-S663 WeakPolarHBondContact CA-OG 3.42Å; L660-S663 PolarHBondContact O-N 3.26Å; L660-S663 PolarHBondContact O-OG 2.94Å; L660-C664 PolarHBondContact O-N 2.59Å; L660-C664 PolarHBondContact O-SG 3.26Å; L660-C664 VanDerWaalsContact O-SG 3.39Å; L660-L709 HydrophobicContact CD2-CD2 3.39Å; L660-L712 HydrophobicContact CD1-CD2 3.96Å; L660-L712 HydrophobicContact CD1-CG 4.39Å; L660-L712 HydrophobicContact CD2-CD2 4.17Å; L660-L713 HydrophobicContact CB-CD1 3.9Å; L660-L716 HydrophobicContact CD1-CD1 3.47Å; L660-L716 VanDerWaalsContact CD1-CD1 3.47Å
661N79.5Confident71.8Confident75 Ų7558.8 Ų58.840%0.40134%0.336SS..Hα-helixtrans-64.8-39.9177.6-162.519.1000112.4Y657 D658 S663 C664 S665 L713Y657-N661 WeakPolarHBondContact O-CB 3.21Å; Y657-N661 PolarHBondContact O-N 3.35Å; D658-N661 PolarHBondContact O-N 3.24Å; N661-S663 VanDerWaalsContact C-N 3.35Å; N661-C664 PolarHBondContact O-N 3.26Å; N661-S665 PolarHBondContact O-N 2.9Å; N661-S665 PolarHBondContact O-OG 3.02Å; N661-S665 VanDerWaalsContact O-OG 3.07Å; N661-L713 HydrophobicContact CB-CD1 4.12Å
662I78.7Confident69.5Low95 Ų9559.2 Ų59.249%0.48734%0.338SS..Hα-helixtrans-63.7-41.8172.8-66.1163.2000110.4D658 L659 L660 C664 S665 T666D658-I662 WeakPolarHBondContact O-CD1 3.27Å; D658-I662 VanDerWaalsContact O-CG1 3.24Å; D658-I662 WeakPolarHBondContact O-CG1 3.36Å; D658-I662 PolarHBondContact O-N 3.11Å; L659-I662 PolarHBondContact O-N 3.47Å; L660-I662 PolarHBondContact O-N 3.32Å; I662-C664 PolarHBondContact O-N 2.91Å; I662-S665 WeakPolarHBondContact CA-OG 3.32Å; I662-S665 PolarHBondContact O-N 3.48Å; I662-S665 PolarHBondContact O-OG 2.87Å; I662-T666 HydrophobicContact CG2-CG2 4.17Å; I662-T666 WeakPolarHBondContact O-CB 3.35Å; I662-T666 VanDerWaalsContact O-CG2 3.31Å; I662-T666 WeakPolarHBondContact O-CG2 3.38Å; I662-T666 PolarHBondContact O-N 2.73Å; I662-T666 PolarHBondContact O-OG1 3.28Å
663S73.9Confident67.1Low6 Ų659.2 Ų59.24%0.04235%0.346CS..Hα-helixtrans-64.5-38.3177.672.80000113L659 L660 N661 T666L659-S663 WeakPolarHBondContact O-CB 3.46Å; L659-S663 PolarHBondContact O-N 3.05Å; L659-S663 PolarHBondContact O-OG 3.29Å; L660-S663 WeakPolarHBondContact CA-OG 3.42Å; L660-S663 PolarHBondContact O-N 3.26Å; L660-S663 PolarHBondContact O-OG 2.94Å; N661-S663 VanDerWaalsContact C-N 3.35Å; S663-T666 PolarHBondContact O-OG1 3.09Å; S663-T666 VanDerWaalsContact O-OG1 3.13Å
664C70.7Confident64.9Low36 Ų3662.3 Ų62.324%0.24336%0.357CS..Hα-helixtrans-64.7-43.8173.6-70.20000112L660 N661 I662 G667 L709 N710L660-C664 PolarHBondContact O-N 2.59Å; L660-C664 PolarHBondContact O-SG 3.26Å; L660-C664 VanDerWaalsContact O-SG 3.39Å; N661-C664 PolarHBondContact O-N 3.26Å; I662-C664 PolarHBondContact O-N 2.91Å; C664-G667 PolarHBondContact O-N 3.07Å; C664-L709 WeakPolarHBondContact SG-CB 3.41Å; C664-N710 PolarHBondContact SG-OD1 2.84Å
665S60.2Low62.3Low90 Ų9063.1 Ų63.163%0.62937%0.368SS*.Hα-helixtrans-73.9-31.2-176.357.50000113.9N661 I662 G667N661-S665 PolarHBondContact O-N 2.9Å; N661-S665 PolarHBondContact O-OG 3.02Å; N661-S665 VanDerWaalsContact O-OG 3.07Å; I662-S665 WeakPolarHBondContact CA-OG 3.32Å; I662-S665 PolarHBondContact O-N 3.48Å; I662-S665 PolarHBondContact O-OG 2.87Å; S665-G667 PolarHBondContact O-N 3.48Å
666T59Low59.7Low95 Ų9565.3 Ų65.358%0.58339%0.39SS*.THydrogen-bonded Turntrans-71.9-6.8175.751.20000113.4I662 S663 A668I662-T666 HydrophobicContact CG2-CG2 4.17Å; I662-T666 WeakPolarHBondContact O-CB 3.35Å; I662-T666 VanDerWaalsContact O-CG2 3.31Å; I662-T666 WeakPolarHBondContact O-CG2 3.38Å; I662-T666 PolarHBondContact O-N 2.73Å; I662-T666 PolarHBondContact O-OG1 3.28Å; S663-T666 PolarHBondContact O-OG1 3.09Å; S663-T666 VanDerWaalsContact O-OG1 3.13Å; T666-A668 PolarHBondContact O-N 2.91Å
667G51.1Low56.8Low49 Ų4967.7 Ų67.751%0.50542%0.417SS..THydrogen-bonded Turntrans66.616.3179.400000113.4C664 S665 K669C664-G667 PolarHBondContact O-N 3.07Å; S665-G667 PolarHBondContact O-N 3.48Å; G667-K669 PolarHBondContact O-N 3.23Å
668A46Very low54.1Low51 Ų5175.7 Ų75.742%0.42145%0.448SS..  trans-67.779.2171.500000108.5T666 S670T666-A668 PolarHBondContact O-N 2.91Å; A668-S670 PolarHBondContact O-N 3.47Å
669K48Very low51.4Low161 Ų16178.3 Ų78.370%0.747%0.466SS*.  trans-58.8115.7173.5-66.9-176.6178.9-177.90107.1G667 S671G667-K669 PolarHBondContact O-N 3.23Å; K669-S671 PolarHBondContact O-N 3.43Å
670S46.5Very low48.7Very low19 Ų1981.2 Ų81.213%0.13349%0.486CS..  trans-65.1-2.8171.9660000112.3A591 A668 V672A591-S670 WeakPolarHBondContact CB-O 3.49Å; A668-S670 PolarHBondContact O-N 3.47Å; S670-V672 PolarHBondContact O-N 2.96Å; S670-V672 VanDerWaalsContact O-N 3.13Å
671S43.8Very low46Very low38 Ų3887.3 Ų87.327%0.26652%0.523SS..  trans-80.391176.364.80000111.6K669 G673K669-S671 PolarHBondContact O-N 3.43Å; S671-G673 VanDerWaalsContact C-N 3.29Å; S671-G673 PolarHBondContact O-N 3.45Å
672V38.3Very low43.6Very low104 Ų10490.1 Ų90.163%0.6354%0.538SS*.  trans-83.484.8144.4-175.40000105.5S670S670-V672 PolarHBondContact O-N 2.96Å; S670-V672 VanDerWaalsContact O-N 3.13Å
673G37.6Very low41Very low29 Ų2994 Ų9430%0.29955%0.554SS.*  trans-176.4105.4-174.800000114.1S671S671-G673 VanDerWaalsContact C-N 3.29Å; S671-G673 PolarHBondContact O-N 3.45Å
674F40.4Very low38.7Very low74 Ų74102 Ų10233%0.32559%0.59SS.*  trans56.184.6156.3-46.8-61.3000117.5H564 A584 S676H564-F674 AromaticContact CD2-CD2 3.49Å; H564-F674 VanDerWaalsContact CD2-CD2 3.49Å; H564-F674 WeakPolarHBondContact CD2-CD2 3.21Å; H564-F674 AromaticContact CD2-CE2 3.6Å; H564-F674 AromaticContact NE2-CD2 3.38Å; H564-F674 WeakPolarHBondContact NE2-CD2 3.22Å; H564-F674 AromaticContact NE2-CE2 3.8Å; H564-F674 AromaticContact NE2-CG 3.49Å; H564-F674 WeakPolarHBondContact NE2-CG 3.38Å; A584-F674 HydrophobicContact CB-CE1 3.69Å; A584-F674 HydrophobicContact CB-CE2 4.32Å; A584-F674 HydrophobicContact CB-CZ 3.33Å; F674-S676 PolarHBondContact O-N 3.28Å
675N30.9Very low36.5Very low159 Ų159111.1 Ų111.185%0.8562%0.619SS**  trans-59.5121.4148.4-83-15.6000107.7G677N675-G677 PolarHBondContact O-N 3.02Å
676S31.7Very low35Very low121 Ų121114.2 Ų114.285%0.84663%0.629SS**THydrogen-bonded Turntrans-61.222.1174.9-178.90000114.5F674F674-S676 PolarHBondContact O-N 3.28Å
677G25.9Very low33.4Very low59 Ų59119 Ų11961%0.60864%0.642SS**THydrogen-bonded Turntrans-97-7.5-167.400000116.7N675N675-G677 PolarHBondContact O-N 3.02Å
678Y25.4Very low32.2Very low220 Ų220125.3 Ų125.386%0.86366%0.658SS**  trans-106.959.5179-76.9-81.9000111.7V680Y678-V680 VanDerWaalsContact C-N 3.27Å; Y678-V680 PolarHBondContact O-N 2.94Å; Y678-V680 VanDerWaalsContact O-N 3.14Å
679T27.7Very low31.4Very low121 Ų121128.2 Ų128.274%0.74268%0.675SS**  trans-75.191.5153.350.10000106.9V681T679-V681 PolarHBondContact O-N 3.28Å; T679-V681 VanDerWaalsContact O-N 3.14Å
680V25.6Very low30.3Very low101 Ų101127.7 Ų127.761%0.61268%0.679SS**  trans-58.6117166.2177.10000106.6Y678 N682Y678-V680 VanDerWaalsContact C-N 3.27Å; Y678-V680 PolarHBondContact O-N 2.94Å; Y678-V680 VanDerWaalsContact O-N 3.14Å; V680-N682 VanDerWaalsContact C-N 3.27Å; V680-N682 PolarHBondContact O-N 2.88Å
681V26Very low29.3Very low131 Ų131132.2 Ų132.279%0.79471%0.711SS**  trans-65.288175.4179.20000107.5T679T679-V681 PolarHBondContact O-N 3.28Å; T679-V681 VanDerWaalsContact O-N 3.14Å
682N27.3Very low28.3Very low134 Ų134137.6 Ų137.672%0.71774%0.736SS**  trans-111.7122.9172.1-83.3-13.8000109.5V680 H684V680-N682 VanDerWaalsContact C-N 3.27Å; V680-N682 PolarHBondContact O-N 2.88Å; N682-H684 PolarHBondContact O-N 3.36Å
683H25.6Very low27.7Very low176 Ų176139 Ų13982%0.81575%0.747SS**  trans-47.1122.8-174.7-77.2-84.4000113.2R685H683-R685 PolarHBondContact O-N 3.15Å; H683-R685 VanDerWaalsContact O-N 3.08Å
684H24.9Very low27.2Very low173 Ų173140.9 Ų140.980%0.80177%0.766SS**  trans-47.9111.2161.7-77.7-79.5000110.1N682N682-H684 PolarHBondContact O-N 3.36Å
685R25.6Very low26.4Very low229 Ų229144.6 Ų144.686%0.86479%0.788SS**  trans-111.5101152.6-76.8-170.2-173.5175.93.6107.6H683H683-R685 PolarHBondContact O-N 3.15Å; H683-R685 VanDerWaalsContact O-N 3.08Å
686D27.4Very low26Very low155 Ų155142.3 Ų142.383%0.82978%0.78SS**  trans41.489148-53.4-25.8000117.6E688D686-E688 PolarHBondContact O-N 2.98Å
687F26.1Very low25.6Very low196 Ų196142.7 Ų142.786%0.8678%0.777SS**  trans-74.181.5164.3-96.3-95000110.9
688E26.4Very low25.5Very low181 Ų181145.2 Ų145.285%0.84678%0.781SS**  trans-144.786162.7-73.7-166.516800110.3D686D686-E688 PolarHBondContact O-N 2.98Å
689S27.4Very low25.4Very low112 Ų112142.8 Ų142.878%0.78378%0.783SS**SBendtrans164.837.4152.849.90000114.2
690L26.1Very low25.2Very low150 Ų150139.3 Ų139.379%0.78577%0.771SS**  trans-143.256.4171.1-72.3173000111.3
691S24.9Very low25.3Very low114 Ų114139.1 Ų139.180%0.79777%0.772SS**  trans-100.494.6164.344.60000109.2
692L24Very low25.2Very low151 Ų151141.6 Ų141.679%0.79178%0.775SS**  trans-64.2133.9154.7-10990.8000107.7G694L692-G694 PolarHBondContact O-N 3.37Å
693P25.6Very low25.4Very low132 Ų132143.3 Ų143.386%0.85777%0.772SS**THydrogen-bonded Turntrans-70.8117.7-178.627.7-30.7000109.6
694G26Very low25.7Very low69 Ų69139.4 Ų139.471%0.71177%0.765SS**THydrogen-bonded Turntrans146.7-15.5168.800000116.8L692 T696L692-G694 PolarHBondContact O-N 3.37Å; G694-T696 PolarHBondContact O-N 3.37Å
695I23.8Very low26.3Very low153 Ų153134 Ų13479%0.78576%0.756SS**  trans-97.881.8177.2-51.2177.3000108.5T697I695-T697 PolarHBondContact O-N 3.38Å
696T22.2Very low27.3Very low110 Ų110126.3 Ų126.368%0.67574%0.735SS**  trans-61.3115.8161.642.90000107.5G694 T698G694-T696 PolarHBondContact O-N 3.37Å; T696-T698 PolarHBondContact O-N 3.23Å
697T23.7Very low28.5Very low129 Ų129119.5 Ų119.579%0.79170%0.699SS**  trans-65.972.5168.452.20000108.5I695I695-T697 PolarHBondContact O-N 3.38Å
698T23.5Very low30.2Very low113 Ų113114 Ų11469%0.69368%0.678SS**  trans-77124.7162.756.40000105.6T696 G700T696-T698 PolarHBondContact O-N 3.23Å; T698-G700 PolarHBondContact O-N 3.44Å
699N24Very low32.2Very low169 Ų169106 Ų10690%0.90464%0.641SS**  trans-59.885.4175.8-71.3-29000108.9
700G23.6Very low34.2Very low47 Ų47104.7 Ų104.749%0.48563%0.626SS.*  trans-64.6149.6172.300000110T698 H702T698-G700 PolarHBondContact O-N 3.44Å; G700-H702 PolarHBondContact O-N 3.31Å
701P26.4Very low36.4Very low97 Ų97101.5 Ų101.563%0.6361%0.605SS**  trans-60130.1-169.426.5-32.9000109.6Y703P701-Y703 VanDerWaalsContact C-N 3.3Å; P701-Y703 HydrophobicContact CG-CE2 4.22Å; P701-Y703 WeakPolarHBondContact O-CD2 3.48Å; P701-Y703 PolarHBondContact O-N 2.9Å
702H24.2Very low38.7Very low184 Ų18496.2 Ų96.285%0.85257%0.568SS**  trans-58.393.6170.8-76.5-86.5000108.9G700 S704G700-H702 PolarHBondContact O-N 3.31Å; H702-S704 PolarHBondContact O-N 3.34Å
703Y31.7Very low41Very low169 Ų16990.2 Ų90.266%0.66354%0.536SS*.  trans-62.2105.1166.1-73-79.1000106.9P701 G705P701-Y703 VanDerWaalsContact C-N 3.3Å; P701-Y703 HydrophobicContact CG-CE2 4.22Å; P701-Y703 WeakPolarHBondContact O-CD2 3.48Å; P701-Y703 PolarHBondContact O-N 2.9Å; Y703-G705 PolarHBondContact O-N 3.04Å
704S32.8Very low43.1Very low95 Ų9588 Ų8866%0.66452%0.524SS*.  trans-56.9122.3169.353.90000107.2H702 T706H702-S704 PolarHBondContact O-N 3.34Å; S704-T706 PolarHBondContact O-N 3.28Å
705G37.8Very low45.3Very low60 Ų6088.2 Ų88.262%0.61950%0.503SS*.SBendtrans-66.316.7-169.100000116.2Y703Y703-G705 PolarHBondContact O-N 3.04Å
706T45.3Very low47.5Very low67 Ų6781.4 Ų81.441%0.41147%0.468SS..  trans-114.494178.256.40000108.2S704 D708S704-T706 PolarHBondContact O-N 3.28Å; T706-D708 PolarHBondContact O-N 3.35Å
707T52.9Low49.5Very low12 Ų1278.4 Ų78.47%0.07445%0.449CS..  trans-70.385.2166.443.60000107.9D556 A560 Q592 L709D556-T707 WeakPolarHBondContact O-CG2 3.28Å; A560-T707 HydrophobicContact CB-CG2 4.49Å; Q592-T707 PolarHBondContact NE2-OG1 3.38Å; Q592-T707 PolarHBondContact OE1-OG1 2.85Å; T707-L709 PolarHBondContact O-N 3.34Å
708D62.2Low51.1Low79 Ų7974.7 Ų74.742%0.42242%0.422SS..  trans-65.4129.4178-84.3-15.8000109.6T706 N710 K711T706-D708 PolarHBondContact O-N 3.35Å; D708-N710 HydrophobicContact CB-CB 4Å; D708-N710 PolarHBondContact O-N 3.47Å; D708-K711 PolarHBondContact O-N 2.7Å
709L68.7Low52.3Low14 Ų1474.4 Ų74.47%0.07342%0.416CS..THydrogen-bonded Turntrans-47.4-23.4167.7-95.8142000112.4L594 L660 C664 T707 K711 L712 L713L594-L709 HydrophobicContact CD2-CD1 4.49Å; L594-L709 HydrophobicContact CD2-CD2 3.94Å; L660-L709 HydrophobicContact CD2-CD2 3.39Å; C664-L709 WeakPolarHBondContact SG-CB 3.41Å; T707-L709 PolarHBondContact O-N 3.34Å; L709-K711 PolarHBondContact O-N 3.08Å; L709-L712 WeakPolarHBondContact O-CB 3.17Å; L709-L712 PolarHBondContact O-N 3.48Å; L709-L713 PolarHBondContact O-N 3.12Å
710N68.5Low53.3Low85 Ų8576.6 Ų76.646%0.45541%0.413SS..Hα-helixtrans-52.2-32.9171.2-64.7-25.4000113.7C664 D708 L713 S714C664-N710 PolarHBondContact SG-OD1 2.84Å; D708-N710 HydrophobicContact CB-CB 4Å; D708-N710 PolarHBondContact O-N 3.47Å; N710-L713 PolarHBondContact O-N 3.35Å; N710-S714 WeakPolarHBondContact O-CB 3.48Å; N710-S714 PolarHBondContact O-N 3.49Å; N710-S714 PolarHBondContact O-OG 2.83Å
711K72.4Confident54.2Low83 Ų8381.4 Ų81.436%0.36142%0.42SS..Hα-helixtrans-68.5-35.8175.5-71.6-177.5170.9-174.80112.8D556 D708 L709 S714 R715D556-K711 WeakPolarHBondContact OD1-CD 3.31Å; D556-K711 IonicContact OD1-NZ 3.61Å; D556-K711 PolarHBondContact OD1-NZ 3.2Å; D708-K711 PolarHBondContact O-N 2.7Å; L709-K711 PolarHBondContact O-N 3.08Å; K711-S714 PolarHBondContact O-OG 3.17Å; K711-S714 VanDerWaalsContact O-OG 3.06Å; K711-R715 WeakPolarHBondContact O-CG 3.19Å; K711-R715 PolarHBondContact O-N 2.66Å
712L73.4Confident54.9Low2 Ų279.1 Ų79.11%0.0140%0.4CS..Hα-helixtrans-72.9-43.2174.2179.564.5000109.7Y552 L594 L660 L709 S714 R715 L716Y552-L712 HydrophobicContact CD1-CB 4.47Å; Y552-L712 HydrophobicContact CD1-CD1 4.26Å; Y552-L712 HydrophobicContact CD1-CD2 4.08Å; Y552-L712 HydrophobicContact CD2-CB 3.92Å; Y552-L712 HydrophobicContact CE1-CD2 4.22Å; Y552-L712 HydrophobicContact CE2-CB 4.16Å; Y552-L712 HydrophobicContact CG-CB 4.08Å; Y552-L712 HydrophobicContact CG-CD1 3.98Å; Y552-L712 HydrophobicContact CG-CD2 4.45Å; Y552-L712 HydrophobicContact CG-CG 4.39Å; L594-L712 HydrophobicContact CD1-CD2 4.28Å; L660-L712 HydrophobicContact CD1-CD2 3.96Å; L660-L712 HydrophobicContact CD1-CG 4.39Å; L660-L712 HydrophobicContact CD2-CD2 4.17Å; L709-L712 WeakPolarHBondContact O-CB 3.17Å; L709-L712 PolarHBondContact O-N 3.48Å; L712-S714 VanDerWaalsContact C-N 3.34Å; L712-S714 PolarHBondContact O-N 3.38Å; L712-R715 PolarHBondContact O-N 2.81Å; L712-R715 VanDerWaalsContact O-N 3.16Å; L712-L716 HydrophobicContact CD1-CD1 4.03Å; L712-L716 HydrophobicContact CD1-CG 4.16Å; L712-L716 HydrophobicContact CD2-CD1 4.38Å; L712-L716 HydrophobicContact CG-CD1 3.84Å; L712-L716 HydrophobicContact CG-CG 4.33Å; L712-L716 WeakPolarHBondContact O-CG 3.44Å; L712-L716 PolarHBondContact O-N 3.13Å
713L72Confident55.8Low25 Ų2574.3 Ų74.313%0.13139%0.387CS..Hα-helixtrans-59.3-43.7178.3-161.688000111.9Y657 L660 N661 L709 N710 R715 L716 D717Y657-L713 HydrophobicContact CD2-CD1 4.21Å; Y657-L713 HydrophobicContact CE2-CD1 3.98Å; Y657-L713 HydrophobicContact CE2-CG 4.03Å; L660-L713 HydrophobicContact CB-CD1 3.9Å; N661-L713 HydrophobicContact CB-CD1 4.12Å; L709-L713 PolarHBondContact O-N 3.12Å; N710-L713 PolarHBondContact O-N 3.35Å; L713-R715 VanDerWaalsContact C-N 3.26Å; L713-R715 PolarHBondContact O-N 3.41Å; L713-L716 PolarHBondContact O-N 2.94Å; L713-D717 PolarHBondContact O-N 3.31Å
714S70Confident56.1Low85 Ų8573.7 Ų73.759%0.59440%0.395SS*.Hα-helixtrans-66.5-26.6178.865.80000113.4N710 K711 L712N710-S714 WeakPolarHBondContact O-CB 3.48Å; N710-S714 PolarHBondContact O-N 3.49Å; N710-S714 PolarHBondContact O-OG 2.83Å; K711-S714 PolarHBondContact O-OG 3.17Å; K711-S714 VanDerWaalsContact O-OG 3.06Å; L712-S714 VanDerWaalsContact C-N 3.34Å; L712-S714 PolarHBondContact O-N 3.38Å
715R72.7Confident56.5Low74 Ų7470.8 Ų70.828%0.27937%0.374SS..Hα-helixtrans-81.4-35.6173.2-72.1-170.9-177.71177.5112.8F544 D556 K711 L712 L713 D717F544-R715 WeakPolarHBondContact CE1-O 3.49Å; F544-R715 WeakPolarHBondContact CZ-O 3.05Å; D556-R715 IonicContact OD2-CZ 2.65Å; D556-R715 IonicContact OD2-NH1 3.5Å; D556-R715 PolarHBondContact OD2-NH1 3Å; D556-R715 IonicContact OD2-NH2 3.36Å; D556-R715 PolarHBondContact OD2-NH2 3.17Å; K711-R715 WeakPolarHBondContact O-CG 3.19Å; K711-R715 PolarHBondContact O-N 2.66Å; L712-R715 PolarHBondContact O-N 2.81Å; L712-R715 VanDerWaalsContact O-N 3.16Å; L713-R715 VanDerWaalsContact C-N 3.26Å; L713-R715 PolarHBondContact O-N 3.41Å; R715-D717 VanDerWaalsContact C-N 3.25Å; R715-D717 PolarHBondContact O-N 3.42Å
716L70.3Confident56.4Low10 Ų1074.8 Ų74.85%0.05238%0.381CS..Hα-helixtrans-79.1-7.4178.3-69.4177000113.3I545 L656 Y657 L660 L712 L713 F718I545-L716 HydrophobicContact CB-CD2 4.47Å; I545-L716 HydrophobicContact CG1-CD2 4.27Å; I545-L716 HydrophobicContact CG2-CD2 4.21Å; L656-L716 HydrophobicContact CD2-CD1 4.5Å; Y657-L716 HydrophobicContact CD2-CB 4.18Å; L660-L716 HydrophobicContact CD1-CD1 3.47Å; L660-L716 VanDerWaalsContact CD1-CD1 3.47Å; L712-L716 HydrophobicContact CD1-CD1 4.03Å; L712-L716 HydrophobicContact CD1-CG 4.16Å; L712-L716 HydrophobicContact CD2-CD1 4.38Å; L712-L716 HydrophobicContact CG-CD1 3.84Å; L712-L716 HydrophobicContact CG-CG 4.33Å; L712-L716 WeakPolarHBondContact O-CG 3.44Å; L712-L716 PolarHBondContact O-N 3.13Å; L713-L716 PolarHBondContact O-N 2.94Å; L716-F718 VanDerWaalsContact C-N 3.26Å; L716-F718 WeakPolarHBondContact O-CD2 3.49Å; L716-F718 PolarHBondContact O-N 3.23Å
717D64Low56.2Low48 Ų4880.7 Ų80.726%0.25740%0.404SS..  trans-66.987.5177.5-165.30.3000110.7Y657 L713 R715 N719 Y720Y657-D717 HydrophobicContact CE2-CB 4.3Å; L713-D717 PolarHBondContact O-N 3.31Å; R715-D717 VanDerWaalsContact C-N 3.25Å; R715-D717 PolarHBondContact O-N 3.42Å; D717-N719 PolarHBondContact O-N 3.04Å; D717-N719 VanDerWaalsContact O-N 3.11Å; D717-N719 VanDerWaalsContact OD1-CB 3.26Å; D717-N719 WeakPolarHBondContact OD1-CB 3.43Å; D717-N719 PolarHBondContact OD1-N 3.49Å; D717-N719 VanDerWaalsContact OD1-N 3.15Å; D717-N719 PolarHBondContact OD1-ND2 3.09Å; D717-Y720 PolarHBondContact O-N 2.96Å
718F55.8Low55.2Low51 Ų5187.1 Ų87.122%0.22444%0.438CS..Hα-helixtrans-54.2-26.4174.1-81.1-83.1000112.2F544 I545 L716 Y720 F721 Y722F544-F718 HydrophobicContact CD1-CD1 4.5Å; F544-F718 AromaticContact CD1-CE1 3.89Å; F544-F718 HydrophobicContact CD1-CE1 3.89Å; F544-F718 HydrophobicContact CD1-CZ 4.03Å; F544-F718 HydrophobicContact CE1-CE1 4.31Å; F544-F718 HydrophobicContact CE1-CZ 4.48Å; I545-F718 HydrophobicContact CD1-CE2 3.81Å; I545-F718 HydrophobicContact CD1-CZ 3.49Å; I545-F718 VanDerWaalsContact CD1-CZ 3.49Å; I545-F718 HydrophobicContact CG1-CE2 3.86Å; I545-F718 HydrophobicContact CG1-CZ 3.52Å; L716-F718 VanDerWaalsContact C-N 3.26Å; L716-F718 WeakPolarHBondContact O-CD2 3.49Å; L716-F718 PolarHBondContact O-N 3.23Å; F718-Y720 VanDerWaalsContact C-N 3.31Å; F718-Y720 PolarHBondContact O-N 3.44Å; F718-F721 PolarHBondContact O-N 2.95Å; F718-F721 VanDerWaalsContact O-N 3.16Å; F718-Y722 AromaticContact CD1-CD2 3.91Å; F718-Y722 HydrophobicContact CD1-CD2 3.91Å; F718-Y722 HydrophobicContact CD1-CE2 4.03Å; F718-Y722 HydrophobicContact CE1-CE2 4.43Å; F718-Y722 PolarHBondContact O-N 3.38Å
719N48.7Very low53.9Low106 Ų10687.8 Ų87.857%0.56744%0.441SS*.Hα-helixtrans-66.5-33.9-175.9-59.4-56.8000111.6D717 F721 S723D717-N719 PolarHBondContact O-N 3.04Å; D717-N719 VanDerWaalsContact O-N 3.11Å; D717-N719 VanDerWaalsContact OD1-CB 3.26Å; D717-N719 WeakPolarHBondContact OD1-CB 3.43Å; D717-N719 PolarHBondContact OD1-N 3.49Å; D717-N719 VanDerWaalsContact OD1-N 3.15Å; D717-N719 PolarHBondContact OD1-ND2 3.09Å; N719-F721 VanDerWaalsContact C-N 3.26Å; N719-F721 PolarHBondContact O-N 3.46Å; N719-S723 WeakPolarHBondContact O-CA 3.32Å; N719-S723 WeakPolarHBondContact O-CB 3.49Å; N719-S723 PolarHBondContact O-N 2.75Å; N719-S723 PolarHBondContact O-OG 2.89Å
720Y45.7Very low52.1Low216 Ų21697.8 Ų97.885%0.84749%0.492SS*.Hα-helixtrans-71-25.3177.6-154.4-91.1000112.6D717 F718D717-Y720 PolarHBondContact O-N 2.96Å; F718-Y720 VanDerWaalsContact C-N 3.31Å; F718-Y720 PolarHBondContact O-N 3.44Å
721F41.8Very low51.3Low147 Ų14798.4 Ų98.465%0.64549%0.494SS*.Hα-helixtrans-95.3-29.4-177.4-146.5-88.4000113.4F718 N719F718-F721 PolarHBondContact O-N 2.95Å; F718-F721 VanDerWaalsContact O-N 3.16Å; N719-F721 VanDerWaalsContact C-N 3.26Å; N719-F721 PolarHBondContact O-N 3.46Å
722Y42.4Very low50.2Low50 Ų5099.2 Ų99.220%0.19650%0.501CS..Hα-helixtrans-1223.9-174.8-69-78.7000115H541 F718 D724 S725 L726H541-Y722 AromaticContact CE1-CE1 3.4Å; H541-Y722 WeakPolarHBondContact CE1-CE1 3.35Å; H541-Y722 AromaticContact CE1-CE2 3.5Å; H541-Y722 AromaticContact CE1-CZ 3.06Å; H541-Y722 PolarHBondContact CE1-OH 2.98Å; H541-Y722 AromaticContact ND1-CE2 3.46Å; H541-Y722 WeakPolarHBondContact ND1-CE2 3.49Å; H541-Y722 AromaticContact ND1-CZ 3.36Å; H541-Y722 PolarHBondContact ND1-OH 3.3Å; F718-Y722 AromaticContact CD1-CD2 3.91Å; F718-Y722 HydrophobicContact CD1-CD2 3.91Å; F718-Y722 HydrophobicContact CD1-CE2 4.03Å; F718-Y722 HydrophobicContact CE1-CE2 4.43Å; F718-Y722 PolarHBondContact O-N 3.38Å; Y722-D724 PolarHBondContact O-N 3.22Å; Y722-S725 WeakPolarHBondContact CB-OG 3.48Å; Y722-S725 WeakPolarHBondContact CD1-OG 3.4Å; Y722-S725 PolarHBondContact O-N 2.92Å; Y722-S725 PolarHBondContact O-OG 3.12Å; Y722-L726 PolarHBondContact O-N 3.12Å
723S42.1Very low48.9Very low82 Ų82104.6 Ų104.657%0.57353%0.528SS*.THydrogen-bonded Turntrans-53.5-22.5176.153.10000113.6N719 S725N719-S723 WeakPolarHBondContact O-CA 3.32Å; N719-S723 WeakPolarHBondContact O-CB 3.49Å; N719-S723 PolarHBondContact O-N 2.75Å; N719-S723 PolarHBondContact O-OG 2.89Å; S723-S725 VanDerWaalsContact C-N 3.35Å
724D39.4Very low47.6Very low157 Ų157109.3 Ų109.384%0.8455%0.551SS**THydrogen-bonded Turntrans-872.4176.4-72.9-4.4000114.3Y722Y722-D724 PolarHBondContact O-N 3.22Å
725S39.6Very low46.2Very low33 Ų33110.8 Ų110.823%0.23155%0.549CS..THydrogen-bonded Turntrans-132-9.1-171.2670000116.4Y722 S723 E727 N728Y722-S725 WeakPolarHBondContact CB-OG 3.48Å; Y722-S725 WeakPolarHBondContact CD1-OG 3.4Å; Y722-S725 PolarHBondContact O-N 2.92Å; Y722-S725 PolarHBondContact O-OG 3.12Å; S723-S725 VanDerWaalsContact C-N 3.35Å; S725-E727 PolarHBondContact O-N 3.36Å; S725-N728 PolarHBondContact O-N 3.46Å
726L36Very low44.4Very low145 Ų145113.3 Ų113.376%0.75957%0.567SS**G310 helixtrans-63.2-28.7-179.7-15686.1000112.1Y722 N728Y722-L726 PolarHBondContact O-N 3.12Å; L726-N728 PolarHBondContact O-N 3.01Å
727E41Very low42.5Very low190 Ų190120.6 Ų120.689%0.88860%0.603SS**G310 helixtrans-74.4-6.4175.9-74-168.1163.100114.4S725S725-E727 PolarHBondContact O-N 3.36Å
728N32.8Very low40.9Very low147 Ų147126.2 Ų126.279%0.78663%0.63SS**G310 helixtrans-117.614177.8-74.6-35000114.1S725 L726S725-N728 PolarHBondContact O-N 3.46Å; L726-N728 PolarHBondContact O-N 3.01Å
729L35.2Very low39.7Very low93 Ų93132.5 Ų132.549%0.48766%0.664SS.*  trans-113.74-174.6-114.4141.1000115.1L537L537-L729 HydrophobicContact CD2-CD2 4.32Å
730I31.1Very low38.8Very low224 Ų224134.9 Ų134.9100%1.14967%0.673SS**  trans-118.80161.3-55.3175.4000106.6

Retrieved 730 of 730 residues in 1299.7 ms (Link to these results)

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