A0A087X2T3_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087X2T3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 815 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
1M84.6Confident89.2Confident44 Ų4470.6 Ų70.622%0.21736%0.363CS..  0-31.80-16060.6-175.100112.9D3 Y4 V6 L19 V21 V34 F72 E74 Y79M1-D3 PolarHBondContact O-N 2.98Å; M1-Y4 PolarHBondContact O-N 3.35Å; M1-Y4 HydrophobicContact SD-CD2 4.29Å; M1-V6 HydrophobicContact CE-CG2 3.49Å; M1-V6 VanDerWaalsContact CE-CG2 3.49Å; M1-L19 HydrophobicContact CE-CD1 4.44Å; M1-V21 HydrophobicContact CE-CG1 3.97Å; M1-V34 HydrophobicContact CE-CG1 4.39Å; M1-V34 HydrophobicContact CE-CG2 4.44Å; M1-V34 HydrophobicContact SD-CG1 4.42Å; M1-F72 HydrophobicContact CB-CE2 4.27Å; M1-F72 HydrophobicContact SD-CE2 4.28Å; M1-F72 HydrophobicContact SD-CZ 3.72Å; M1-E74 WeakPolarHBondContact CA-OE2 3.3Å; M1-E74 VanDerWaalsContact CB-OE2 3.29Å; M1-E74 WeakPolarHBondContact CB-OE2 3.44Å; M1-E74 PolarHBondContact N-OE2 3.42Å; M1-Y79 HydrophobicContact SD-CD1 4.38Å; M1-Y79 HydrophobicContact SD-CE1 4.49Å
2N83Confident88.3Confident129 Ų12975.6 Ų75.669%0.6938%0.384SS*.THydrogen-bonded Turntrans-39-43.6-176.3-53.51.5000115.5Y4N2-Y4 PolarHBondContact O-N 3.25Å; N2-Y4 VanDerWaalsContact O-N 3.17Å
3D87Confident86.6Confident69 Ų6973.3 Ų73.337%0.36939%0.391SS..THydrogen-bonded Turntrans-63.4-11.1179.5-50.6-5.3000115.3M1 K24 R25M1-D3 PolarHBondContact O-N 2.98Å; D3-K24 VanDerWaalsContact O-CB 3.27Å; D3-K24 WeakPolarHBondContact O-CB 3.48Å; D3-K24 WeakPolarHBondContact O-CG 3.37Å; D3-K24 PolarHBondContact O-N 3.22Å; D3-R25 HydrophobicContact CB-CG 4.02Å; D3-R25 WeakPolarHBondContact OD2-CD 3.41Å; D3-R25 IonicContact OD2-CZ 3.71Å; D3-R25 IonicContact OD2-NE 3.61Å; D3-R25 IonicContact OD2-NH1 3.37Å; D3-R25 PolarHBondContact OD2-NH1 2.83Å
4Y91.1Very high84.5Confident10 Ų1074.7 Ų74.74%0.03942%0.418CS..EExtended strand (participates in β ladder)trans-122.8130.7-174.5-58-77.2000110.8M1 N2 V21 R22 D23 R25 T70 F72 V81M1-Y4 PolarHBondContact O-N 3.35Å; M1-Y4 HydrophobicContact SD-CD2 4.29Å; N2-Y4 PolarHBondContact O-N 3.25Å; N2-Y4 VanDerWaalsContact O-N 3.17Å; Y4-V21 HydrophobicContact CD1-CG2 3.67Å; Y4-V21 HydrophobicContact CE1-CG2 4.5Å; Y4-V21 HydrophobicContact CG-CG2 4.11Å; Y4-R22 CarbonylContact C-O 3.57Å; Y4-R22 WeakPolarHBondContact CA-O 3.47Å; Y4-D23 HydrophobicContact CD1-CB 4.26Å; Y4-D23 HydrophobicContact CE1-CB 4.25Å; Y4-R25 PolarHBondContact OH-NH2 2.91Å; Y4-T70 WeakPolarHBondContact OH-CG2 3.44Å; Y4-F72 HydrophobicContact CD2-CE1 4.04Å; Y4-F72 HydrophobicContact CD2-CZ 4.16Å; Y4-F72 HydrophobicContact CE2-CD1 4.26Å; Y4-F72 AromaticContact CE2-CE1 3.46Å; Y4-F72 HydrophobicContact CE2-CE1 3.46Å; Y4-F72 VanDerWaalsContact CE2-CE1 3.46Å; Y4-F72 HydrophobicContact CE2-CZ 4.04Å; Y4-V81 HydrophobicContact CE1-CG1 4Å; Y4-V81 HydrophobicContact CE2-CG2 4.22Å
5E92.6Very high82.9Confident79 Ų7974.7 Ų74.737%0.36941%0.411SS..EExtended strand (participates in β ladder)trans-89.1122.8168.5-175165.7-12000109.7I7 V21 R22E5-I7 PolarHBondContact O-N 3.5Å; E5-V21 CarbonylContact O-C 3.53Å; E5-V21 WeakPolarHBondContact O-CA 3.42Å; E5-V21 VanDerWaalsContact O-CB 3.23Å; E5-V21 WeakPolarHBondContact O-CB 3.49Å; E5-R22 HydrophobicContact CB-CB 4.25Å; E5-R22 PolarHBondContact N-O 3.03Å; E5-R22 PolarHBondContact O-N 3.37Å; E5-R22 WeakPolarHBondContact OE2-CD 3.27Å; E5-R22 IonicContact OE2-CZ 2.69Å; E5-R22 IonicContact OE2-NE 2.69Å; E5-R22 IonicContact OE2-NH1 3.13Å; E5-R22 PolarHBondContact OE2-NH1 3.41Å
6V93.8Very high82.4Confident73 Ų7371.8 Ų71.844%0.44240%0.404SS..EExtended strand (participates in β ladder)trans-77.4114.9175.5179.40000109M1 L19 V21M1-V6 HydrophobicContact CE-CG2 3.49Å; M1-V6 VanDerWaalsContact CE-CG2 3.49Å; V6-L19 HydrophobicContact CG1-CB 4.38Å; V6-L19 HydrophobicContact CG1-CD1 4.28Å; V6-L19 HydrophobicContact CG1-CD2 4.42Å; V6-L19 HydrophobicContact CG2-CD1 4.09Å; V6-V21 HydrophobicContact CG2-CG1 4.27Å
7I93.8Very high82.7Confident77 Ų7773.7 Ų73.740%0.39540%0.404SS..EExtended strand (participates in β ladder)trans-81.9-51.2177.2-59.9173.5000109.5E5 L20 R22E5-I7 PolarHBondContact O-N 3.5Å; I7-L20 HydrophobicContact CB-CG 4.24Å; I7-L20 HydrophobicContact CD1-CG 4.21Å; I7-L20 HydrophobicContact CG2-CD2 4.42Å; I7-L20 PolarHBondContact N-O 3.08Å; I7-R22 HydrophobicContact CD1-CB 4.06Å; I7-R22 HydrophobicContact CG1-CB 4.42Å
8R93.6Very high83.1Confident126 Ų12670.8 Ų70.848%0.47539%0.391SS..EExtended strand (participates in β ladder)trans-165.4160.5178.561.4-174.1-177.595.82.6112.3I10 L20R8-I10 HydrophobicContact CG-CG2 4.19Å; R8-L20 HydrophobicContact CG-CB 4.13Å; R8-L20 HydrophobicContact CG-CD2 4.17Å; R8-L20 PolarHBondContact N-O 3.11Å; R8-L20 PolarHBondContact O-N 3.31Å
9Q93.2Very high83.6Confident72 Ų7267.8 Ų67.834%0.33637%0.374SS..EExtended strand (participates in β ladder)trans-70.1140.7161.7-175.8161.8-47.600110.1E12 L19Q9-E12 PolarHBondContact NE2-OE2 3.28Å; Q9-L19 HydrophobicContact CB-CD2 4.12Å; Q9-L19 HydrophobicContact CG-CD2 4.38Å
10I87.5Confident84.2Confident67 Ų6764.9 Ų64.934%0.34436%0.358SS..EExtended strand (participates in β ladder)trans-119.5-15.7176.664.6171.5000113.5R8 A18 L20 V33R8-I10 HydrophobicContact CG-CG2 4.19Å; I10-A18 HydrophobicContact CD1-CB 4.44Å; I10-A18 HydrophobicContact CG1-CB 3.83Å; I10-A18 WeakPolarHBondContact CG1-O 3.35Å; I10-A18 PolarHBondContact N-O 3.42Å; I10-L20 HydrophobicContact CG2-CB 3.53Å; I10-V33 HydrophobicContact CD1-CB 4.47Å; I10-V33 HydrophobicContact CD1-CG1 3.92Å; I10-V33 HydrophobicContact CD1-CG2 3.7Å
11G80.7Confident84.6Confident31 Ų3161.8 Ų61.832%0.3234%0.341SS..EExtended strand (participates in β ladder)trans-171.2161.2174.100000111.8A18G11-A18 PolarHBondContact N-O 3.26Å; G11-A18 PolarHBondContact O-N 3.25Å
12E78.8Confident85Confident130 Ų13064 Ų6461%0.60735%0.347SS*.EExtended strand (participates in β ladder)trans-150.2147.2174.2177.5155.8-155.600108.8Q9 R17Q9-E12 PolarHBondContact NE2-OE2 3.28Å; E12-R17 HydrophobicContact CB-CG 4.27Å; E12-R17 VanDerWaalsContact CD-CG 3.47Å; E12-R17 HydrophobicContact CG-CG 3.88Å; E12-R17 WeakPolarHBondContact OE1-CG 3.19Å
13G66.8Low85.4Confident46 Ų4658.9 Ų58.947%0.47432%0.32SS..EExtended strand (participates in β ladder)trans-171-173.4-178.200000111.8F15 G16G13-F15 PolarHBondContact O-N 3.24Å; G13-G16 PolarHBondContact N-O 3.36Å; G13-G16 PolarHBondContact O-N 3.5Å
14A56.6Low85.5Confident93 Ų9361.4 Ų61.477%0.76933%0.328SS*.THydrogen-bonded Turntrans-57-19.5-169.300000116.1
15F60.2Low85Confident74 Ų7467 Ų6733%0.32535%0.349SS..THydrogen-bonded Turntrans-93.8-13.6177.6-58.7-79.4000113.8G13 I37 A153 R154G13-F15 PolarHBondContact O-N 3.24Å; F15-I37 WeakPolarHBondContact O-CA 3.49Å; F15-A153 HydrophobicContact CE1-CB 4.3Å; F15-R154 HydrophobicContact CZ-CG 4.2Å
16G75.9Confident83.9Confident29 Ų2965.7 Ų65.730%0.29936%0.356SS..EExtended strand (participates in β ladder)trans132.2-150.2-17700000113.5G13 Q36G13-G16 PolarHBondContact N-O 3.36Å; G13-G16 PolarHBondContact O-N 3.5Å; G16-Q36 WeakPolarHBondContact CA-O 3.5Å
17R86.8Confident82.4Confident104 Ų10471.1 Ų71.139%0.39238%0.382SS..EExtended strand (participates in β ladder)trans-115.2139.8-166.3-67.7168.672.7-160.17.3111.6E12 Q36E12-R17 HydrophobicContact CB-CG 4.27Å; E12-R17 VanDerWaalsContact CD-CG 3.47Å; E12-R17 HydrophobicContact CG-CG 3.88Å; E12-R17 WeakPolarHBondContact OE1-CG 3.19Å; R17-Q36 PolarHBondContact N-O 3.23Å; R17-Q36 VanDerWaalsContact N-O 3.15Å; R17-Q36 PolarHBondContact O-N 2.94Å
18A89.6Confident80.9Confident22 Ų2269.7 Ų69.718%0.18239%0.386CS..EExtended strand (participates in β ladder)trans-105.3122.6170.400000109.5I10 G11I10-A18 HydrophobicContact CD1-CB 4.44Å; I10-A18 HydrophobicContact CG1-CB 3.83Å; I10-A18 WeakPolarHBondContact CG1-O 3.35Å; I10-A18 PolarHBondContact N-O 3.42Å; G11-A18 PolarHBondContact N-O 3.26Å; G11-A18 PolarHBondContact O-N 3.25Å
19L93.2Very high79.8Confident13 Ų1368.3 Ų68.37%0.06839%0.389CS..EExtended strand (participates in β ladder)trans-115.7132.9-177.2-54.5178.3000109.7M1 V6 Q9 V21 V33 V34M1-L19 HydrophobicContact CE-CD1 4.44Å; V6-L19 HydrophobicContact CG1-CB 4.38Å; V6-L19 HydrophobicContact CG1-CD1 4.28Å; V6-L19 HydrophobicContact CG1-CD2 4.42Å; V6-L19 HydrophobicContact CG2-CD1 4.09Å; Q9-L19 HydrophobicContact CB-CD2 4.12Å; Q9-L19 HydrophobicContact CG-CD2 4.38Å; L19-V21 HydrophobicContact CB-CG1 4.13Å; L19-V33 CarbonylContact O-C 3.55Å; L19-V33 WeakPolarHBondContact O-CA 3.46Å; L19-V34 PolarHBondContact N-O 3.15Å; L19-V34 PolarHBondContact O-N 3.11Å
20L94.4Very high79.4Confident10 Ų1071.7 Ų71.75%0.05240%0.398CS..EExtended strand (participates in β ladder)trans-80.4128.3162.7172.261.6000108.1I7 R8 I10 Y84I7-L20 HydrophobicContact CB-CG 4.24Å; I7-L20 HydrophobicContact CD1-CG 4.21Å; I7-L20 HydrophobicContact CG2-CD2 4.42Å; I7-L20 PolarHBondContact N-O 3.08Å; R8-L20 HydrophobicContact CG-CB 4.13Å; R8-L20 HydrophobicContact CG-CD2 4.17Å; R8-L20 PolarHBondContact N-O 3.11Å; R8-L20 PolarHBondContact O-N 3.31Å; I10-L20 HydrophobicContact CG2-CB 3.53Å; L20-Y84 HydrophobicContact CD1-CD1 3.94Å; L20-Y84 HydrophobicContact CD1-CD2 3.66Å; L20-Y84 HydrophobicContact CD1-CE1 4.21Å; L20-Y84 HydrophobicContact CD1-CE2 3.94Å; L20-Y84 HydrophobicContact CD1-CG 3.65Å; L20-Y84 HydrophobicContact CD2-CE2 4.37Å
21V94.4Very high79.7Confident0 Ų070.6 Ų70.60%040%0.397CS..EExtended strand (participates in β ladder)trans-132.5157.5-177.6-48.20000111.9M1 Y4 E5 V6 L19 S31 C32 V34M1-V21 HydrophobicContact CE-CG1 3.97Å; Y4-V21 HydrophobicContact CD1-CG2 3.67Å; Y4-V21 HydrophobicContact CE1-CG2 4.5Å; Y4-V21 HydrophobicContact CG-CG2 4.11Å; E5-V21 CarbonylContact O-C 3.53Å; E5-V21 WeakPolarHBondContact O-CA 3.42Å; E5-V21 VanDerWaalsContact O-CB 3.23Å; E5-V21 WeakPolarHBondContact O-CB 3.49Å; V6-V21 HydrophobicContact CG2-CG1 4.27Å; L19-V21 HydrophobicContact CB-CG1 4.13Å; V21-S31 CarbonylContact O-C 3.6Å; V21-S31 WeakPolarHBondContact O-CA 3.47Å; V21-C32 HydrophobicContact CG2-CB 3.91Å; V21-C32 PolarHBondContact N-O 2.92Å; V21-C32 PolarHBondContact O-N 2.82Å; V21-V34 HydrophobicContact CB-CG2 4.3Å; V21-V34 HydrophobicContact CG1-CB 4.08Å; V21-V34 HydrophobicContact CG1-CG2 3.68Å; V21-V34 HydrophobicContact CG2-CG2 3.57Å
22R92.9Very high80.3Confident89 Ų8969.1 Ų69.134%0.33638%0.382SS..EExtended strand (participates in β ladder)trans-100.3131.8164.2158.8-172.2-60.7147.7-10.5109.1Y4 E5 I7 D29Y4-R22 CarbonylContact C-O 3.57Å; Y4-R22 WeakPolarHBondContact CA-O 3.47Å; E5-R22 HydrophobicContact CB-CB 4.25Å; E5-R22 PolarHBondContact N-O 3.03Å; E5-R22 PolarHBondContact O-N 3.37Å; E5-R22 WeakPolarHBondContact OE2-CD 3.27Å; E5-R22 IonicContact OE2-CZ 2.69Å; E5-R22 IonicContact OE2-NE 2.69Å; E5-R22 IonicContact OE2-NH1 3.13Å; E5-R22 PolarHBondContact OE2-NH1 3.41Å; I7-R22 HydrophobicContact CD1-CB 4.06Å; I7-R22 HydrophobicContact CG1-CB 4.42Å; R22-D29 WeakPolarHBondContact CD-OD1 3.47Å; R22-D29 VanDerWaalsContact CG-OD1 3.31Å; R22-D29 WeakPolarHBondContact CG-OD1 3.42Å; R22-D29 IonicContact CZ-OD1 3.79Å; R22-D29 IonicContact CZ-OD2 2.6Å; R22-D29 IonicContact NE-OD1 3.18Å; R22-D29 PolarHBondContact NE-OD1 3.41Å; R22-D29 IonicContact NE-OD2 3.99Å; R22-D29 PolarHBondContact NE-OD2 3.03Å; R22-D29 VanDerWaalsContact NE-OD2 3.13Å; R22-D29 IonicContact NH2-OD1 3.12Å; R22-D29 IonicContact NH2-OD2 2.78Å; R22-D29 PolarHBondContact NH2-OD2 3.37Å
23D91.4Very high81Confident23 Ų2363.7 Ų63.712%0.12336%0.357CS..EExtended strand (participates in β ladder)trans-78.1129.9170.8-161.6-35.6000110.3Y4 R25 R30Y4-D23 HydrophobicContact CD1-CB 4.26Å; Y4-D23 HydrophobicContact CE1-CB 4.25Å; D23-R25 WeakPolarHBondContact OD1-CB 3.48Å; D23-R25 IonicContact OD1-CZ 3.72Å; D23-R25 PolarHBondContact OD1-N 3.04Å; D23-R25 IonicContact OD1-NE 2.82Å; D23-R25 PolarHBondContact OD1-NE 3.24Å; D23-R25 IonicContact OD1-NH2 3.8Å; D23-R25 PolarHBondContact OD1-NH2 3Å; D23-R25 IonicContact OD2-CZ 2.98Å; D23-R25 IonicContact OD2-NE 2.9Å; D23-R25 IonicContact OD2-NH2 3.54Å; D23-R25 PolarHBondContact OD2-NH2 2.7Å; D23-R30 PolarHBondContact N-O 2.9Å
24K88.6Confident82.2Confident122 Ų12261.5 Ų61.553%0.5334%0.335SS..SBendtrans-94.3-4.8-177.3-59.3-179.9179.8175.70114D3D3-K24 VanDerWaalsContact O-CB 3.27Å; D3-K24 WeakPolarHBondContact O-CB 3.48Å; D3-K24 WeakPolarHBondContact O-CG 3.37Å; D3-K24 PolarHBondContact O-N 3.22Å
25R80.6Confident83.8Confident128 Ų12859.4 Ų59.448%0.48331%0.308SS..SBendtrans-92.8-7.4-172.2-62.7165.1-67.4-165.116.1114.3D3 Y4 D23D3-R25 HydrophobicContact CB-CG 4.02Å; D3-R25 WeakPolarHBondContact OD2-CD 3.41Å; D3-R25 IonicContact OD2-CZ 3.71Å; D3-R25 IonicContact OD2-NE 3.61Å; D3-R25 IonicContact OD2-NH1 3.37Å; D3-R25 PolarHBondContact OD2-NH1 2.83Å; Y4-R25 PolarHBondContact OH-NH2 2.91Å; D23-R25 WeakPolarHBondContact OD1-CB 3.48Å; D23-R25 IonicContact OD1-CZ 3.72Å; D23-R25 PolarHBondContact OD1-N 3.04Å; D23-R25 IonicContact OD1-NE 2.82Å; D23-R25 PolarHBondContact OD1-NE 3.24Å; D23-R25 IonicContact OD1-NH2 3.8Å; D23-R25 PolarHBondContact OD1-NH2 3Å; D23-R25 IonicContact OD2-CZ 2.98Å; D23-R25 IonicContact OD2-NE 2.9Å; D23-R25 IonicContact OD2-NH2 3.54Å; D23-R25 PolarHBondContact OD2-NH2 2.7Å
26G68.4Low85.2Confident50 Ų5057.9 Ų57.952%0.51530%0.302SS..SBendtrans-107.1157.3-179.900000112.4G28G26-G28 PolarHBondContact O-N 3.28Å
27D63.3Low85.6Confident187 Ų18757 Ų57100%129%0.29SS*.SBendtrans-73.328.4175.7-142.3-8.8000112.7
28G62.7Low85.5Confident47 Ų4754.6 Ų54.649%0.48529%0.289SS..SBendtrans-172.2142.9-172.300000113.3G26 R30G26-G28 PolarHBondContact O-N 3.28Å; G28-R30 VanDerWaalsContact C-N 3.31Å; G28-R30 PolarHBondContact O-N 3.14Å
29D69.2Low85.2Confident98 Ų9854.1 Ų54.152%0.52428%0.284SS..  trans-69.577.9-176.5-172.4-0.9000112.4R22 S31R22-D29 WeakPolarHBondContact CD-OD1 3.47Å; R22-D29 VanDerWaalsContact CG-OD1 3.31Å; R22-D29 WeakPolarHBondContact CG-OD1 3.42Å; R22-D29 IonicContact CZ-OD1 3.79Å; R22-D29 IonicContact CZ-OD2 2.6Å; R22-D29 IonicContact NE-OD1 3.18Å; R22-D29 PolarHBondContact NE-OD1 3.41Å; R22-D29 IonicContact NE-OD2 3.99Å; R22-D29 PolarHBondContact NE-OD2 3.03Å; R22-D29 VanDerWaalsContact NE-OD2 3.13Å; R22-D29 IonicContact NH2-OD1 3.12Å; R22-D29 IonicContact NH2-OD2 2.78Å; R22-D29 PolarHBondContact NH2-OD2 3.37Å; D29-S31 PolarHBondContact O-N 3.39Å
30R86.3Confident84.7Confident142 Ų14262.2 Ų62.254%0.53631%0.313SS..EExtended strand (participates in β ladder)trans-85.4109.2176.6-170.2176.6-179.81651.5110.6D23 G28D23-R30 PolarHBondContact N-O 2.9Å; G28-R30 VanDerWaalsContact C-N 3.31Å; G28-R30 PolarHBondContact O-N 3.14Å
31S92.4Very high83.9Confident45 Ų4571.5 Ų71.532%0.31535%0.353SS..EExtended strand (participates in β ladder)trans-69131.8166.3-73.30000112V21 D29V21-S31 CarbonylContact O-C 3.6Å; V21-S31 WeakPolarHBondContact O-CA 3.47Å; D29-S31 PolarHBondContact O-N 3.39Å
32C94Very high83.2Confident0 Ų073.2 Ų73.20%036%0.362CS..EExtended strand (participates in β ladder)trans-136.4162179.9-67.40000110.3V21 I69 V81V21-C32 HydrophobicContact CG2-CB 3.91Å; V21-C32 PolarHBondContact N-O 2.92Å; V21-C32 PolarHBondContact O-N 2.82Å; C32-I69 HydrophobicContact CB-CD1 4.41Å; C32-I69 VanDerWaalsContact SG-CD1 3.57Å; C32-V81 HydrophobicContact CB-CG1 4.12Å
33V93.3Very high82.6Confident15 Ų1571.6 Ų71.69%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-105.3131.9170.1176.20000109.6I10 L19 V81 M82 Y84I10-V33 HydrophobicContact CD1-CB 4.47Å; I10-V33 HydrophobicContact CD1-CG1 3.92Å; I10-V33 HydrophobicContact CD1-CG2 3.7Å; L19-V33 CarbonylContact O-C 3.55Å; L19-V33 WeakPolarHBondContact O-CA 3.46Å; V33-V81 CarbonylContact O-C 3.53Å; V33-V81 WeakPolarHBondContact O-CA 3.15Å; V33-M82 HydrophobicContact CG1-CE 4.13Å; V33-M82 PolarHBondContact N-O 3.09Å; V33-M82 PolarHBondContact O-N 3.24Å; V33-Y84 HydrophobicContact CG2-CD2 3.76Å; V33-Y84 HydrophobicContact CG2-CG 4.45Å
34V92.9Very high82.2Confident0 Ų074.4 Ų74.40%039%0.391CS..EExtended strand (participates in β ladder)trans-111.4114.6171.2178.40000108.9M1 L19 V21 Y79 I80 V81M1-V34 HydrophobicContact CE-CG1 4.39Å; M1-V34 HydrophobicContact CE-CG2 4.44Å; M1-V34 HydrophobicContact SD-CG1 4.42Å; L19-V34 PolarHBondContact N-O 3.15Å; L19-V34 PolarHBondContact O-N 3.11Å; V21-V34 HydrophobicContact CB-CG2 4.3Å; V21-V34 HydrophobicContact CG1-CB 4.08Å; V21-V34 HydrophobicContact CG1-CG2 3.68Å; V21-V34 HydrophobicContact CG2-CG2 3.57Å; V34-Y79 HydrophobicContact CG1-CD1 3.72Å; V34-Y79 HydrophobicContact CG1-CG 4.37Å; V34-I80 WeakPolarHBondContact CA-O 3.15Å; V34-V81 HydrophobicContact CG2-CG1 4.2Å; V34-V81 HydrophobicContact CG2-CG2 4.15Å
35K89.6Confident81.6Confident49 Ų4976.1 Ų76.121%0.21340%0.398CS..EExtended strand (participates in β ladder)trans-94.7108.4173.3-171.5176.5-177.2178.90108.8I37 Y79 I80 M82 D149K35-I37 HydrophobicContact CG-CG1 4.49Å; K35-Y79 WeakPolarHBondContact O-CA 3.47Å; K35-I80 HydrophobicContact CB-CB 4.43Å; K35-I80 PolarHBondContact N-O 3.11Å; K35-I80 PolarHBondContact O-N 3.21Å; K35-M82 HydrophobicContact CB-CE 4.35Å; K35-D149 IonicContact NZ-OD1 3.4Å; K35-D149 PolarHBondContact NZ-OD1 3.24Å
36Q88.8Confident81.5Confident42 Ų4273.7 Ų73.720%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-88.5123177.1-178.7-177.50.200110.1G16 R17 S77 L78 Y79G16-Q36 WeakPolarHBondContact CA-O 3.5Å; R17-Q36 PolarHBondContact N-O 3.23Å; R17-Q36 VanDerWaalsContact N-O 3.15Å; R17-Q36 PolarHBondContact O-N 2.94Å; Q36-S77 PolarHBondContact NE2-OG 3.42Å; Q36-L78 CarbonylContact C-O 3.56Å; Q36-L78 WeakPolarHBondContact CA-O 3.27Å; Q36-Y79 HydrophobicContact CB-CD1 3.91Å; Q36-Y79 HydrophobicContact CB-CE1 3.82Å; Q36-Y79 HydrophobicContact CG-CD1 3.98Å; Q36-Y79 HydrophobicContact CG-CE1 3.5Å; Q36-Y79 VanDerWaalsContact CG-CE1 3.5Å; Q36-Y79 PolarHBondContact NE2-OH 2.89Å
37I85.3Confident82.1Confident10 Ų1075 Ų755%0.05138%0.384CS..EExtended strand (participates in β ladder)trans-116.9127.3176.9-58.7174.5000109F15 K35 L39 M42 S77 L78 I80F15-I37 WeakPolarHBondContact O-CA 3.49Å; K35-I37 HydrophobicContact CG-CG1 4.49Å; I37-L39 PolarHBondContact O-N 2.9Å; I37-M42 HydrophobicContact CG2-CE 3.68Å; I37-S77 CarbonylContact O-C 3.57Å; I37-S77 VanDerWaalsContact O-CA 3.28Å; I37-S77 WeakPolarHBondContact O-CA 3.31Å; I37-S77 WeakPolarHBondContact O-CB 3.41Å; I37-L78 HydrophobicContact CB-CB 4.37Å; I37-L78 PolarHBondContact N-O 3.11Å; I37-L78 PolarHBondContact O-N 2.93Å; I37-I80 HydrophobicContact CD1-CD1 3.81Å
38S83.8Confident82.9Confident54 Ų5469.5 Ų69.538%0.37835%0.352SS..EExtended strand (participates in β ladder)trans-83109.3-178-173.70000111.7R40S38-R40 VanDerWaalsContact C-N 3.29Å
39L83.5Confident83.5Confident12 Ų1269 Ų696%0.06334%0.344CS..  trans-79.3-12.5175.8-56.2-177.2000112.6I37 K41 M42 K47 Q73 G76 L78I37-L39 PolarHBondContact O-N 2.9Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 2.84Å; L39-M42 HydrophobicContact CD2-SD 3.64Å; L39-M42 PolarHBondContact O-N 2.72Å; L39-K47 HydrophobicContact CB-CG 4.44Å; L39-K47 WeakPolarHBondContact O-CE 3.16Å; L39-K47 PolarHBondContact O-NZ 3.35Å; L39-Q73 HydrophobicContact CD1-CG 4.11Å; L39-G76 WeakPolarHBondContact CB-O 3.14Å; L39-G76 PolarHBondContact N-O 2.69Å; L39-L78 HydrophobicContact CD1-CB 4.05Å; L39-L78 HydrophobicContact CD2-CB 3.95Å; L39-L78 HydrophobicContact CD2-CD2 4.38Å; L39-L78 HydrophobicContact CG-CB 3.94Å
40R83.4Confident83.9Confident183 Ų18365 Ų6569%0.69132%0.323SS*.THydrogen-bonded Turntrans-59.9-36.8-172.9-63.8-168.6-179.6-1611.9113.4S38 K75 G76S38-R40 VanDerWaalsContact C-N 3.29Å; R40-K75 PolarHBondContact NE-O 2.82Å; R40-K75 VanDerWaalsContact NE-O 3.07Å; R40-K75 PolarHBondContact NH2-O 3.01Å; R40-G76 PolarHBondContact N-O 3.23Å
41K76.7Confident83.6Confident205 Ų20563.7 Ų63.789%0.89132%0.321SS*.THydrogen-bonded Turntrans-91.5-1.9-178.7-64.1-172.1177.3-174.90114.1L39L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 2.84Å
42M80.1Confident82.9Confident37 Ų3768.1 Ų68.118%0.18234%0.335CS..  trans-89.1141.4-176.1-69.9177.217500112.1I37 L39 E46 K47I37-M42 HydrophobicContact CG2-CE 3.68Å; L39-M42 HydrophobicContact CD2-SD 3.64Å; L39-M42 PolarHBondContact O-N 2.72Å; M42-E46 HydrophobicContact CB-CB 3.92Å; M42-E46 HydrophobicContact CG-CB 4.19Å; M42-K47 HydrophobicContact CB-CG 3.91Å; M42-K47 WeakPolarHBondContact O-CE 3.29Å; M42-K47 PolarHBondContact O-NZ 3.19Å
43S81Confident82.1Confident54 Ų5469 Ų6938%0.37834%0.339SS..  trans-63.2168166.566.40000112.1K45 E46 K47S43-K45 VanDerWaalsContact C-N 3.27Å; S43-K45 PolarHBondContact O-N 2.98Å; S43-E46 WeakPolarHBondContact CB-OE2 3.32Å; S43-E46 PolarHBondContact N-OE2 3.1Å; S43-E46 PolarHBondContact O-N 3.35Å; S43-E46 WeakPolarHBondContact OG-CG 3.41Å; S43-E46 PolarHBondContact OG-N 3.14Å; S43-E46 PolarHBondContact OG-OE2 3.46Å; S43-K47 WeakPolarHBondContact O-CD 3.23Å; S43-K47 WeakPolarHBondContact O-CG 3.43Å; S43-K47 PolarHBondContact O-N 2.69Å
44A82.3Confident81.6Confident83 Ų8368.9 Ų68.969%0.68634%0.338SS*.Hα-helixtrans-59.2-38.7173.600000112.3K47 E48A44-K47 PolarHBondContact O-N 3.18Å; A44-E48 WeakPolarHBondContact O-CB 3.49Å; A44-E48 PolarHBondContact O-N 2.87Å
45K76.7Confident81.2Confident158 Ų15872.5 Ų72.569%0.68736%0.36SS*.Hα-helixtrans-65.1-42.7178.6-172174.6-178.5175.10112.2S43 E48 A49S43-K45 VanDerWaalsContact C-N 3.27Å; S43-K45 PolarHBondContact O-N 2.98Å; K45-E48 PolarHBondContact O-N 3.28Å; K45-A49 PolarHBondContact O-N 3.29Å
46E77.3Confident80.9Confident76 Ų7672.4 Ų72.436%0.35536%0.362SS..Hα-helixtrans-68.3-42.4176.2-71.3162.511100112M42 S43 E48 A49 S50M42-E46 HydrophobicContact CB-CB 3.92Å; M42-E46 HydrophobicContact CG-CB 4.19Å; S43-E46 WeakPolarHBondContact CB-OE2 3.32Å; S43-E46 PolarHBondContact N-OE2 3.1Å; S43-E46 PolarHBondContact O-N 3.35Å; S43-E46 WeakPolarHBondContact OG-CG 3.41Å; S43-E46 PolarHBondContact OG-N 3.14Å; S43-E46 PolarHBondContact OG-OE2 3.46Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 3.29Å; E46-A49 WeakPolarHBondContact O-CB 3.45Å; E46-A49 PolarHBondContact O-N 3.24Å; E46-S50 PolarHBondContact O-N 3.02Å; E46-S50 PolarHBondContact O-OG 3.43Å
47K80.8Confident80.7Confident78 Ų7871.2 Ų71.234%0.33936%0.357SS..Hα-helixtrans-56.7-43.3174.3-76.1162.1175.1144.70111.8L39 M42 S43 A44 S50 K51L39-K47 HydrophobicContact CB-CG 4.44Å; L39-K47 WeakPolarHBondContact O-CE 3.16Å; L39-K47 PolarHBondContact O-NZ 3.35Å; M42-K47 HydrophobicContact CB-CG 3.91Å; M42-K47 WeakPolarHBondContact O-CE 3.29Å; M42-K47 PolarHBondContact O-NZ 3.19Å; S43-K47 WeakPolarHBondContact O-CD 3.23Å; S43-K47 WeakPolarHBondContact O-CG 3.43Å; S43-K47 PolarHBondContact O-N 2.69Å; A44-K47 PolarHBondContact O-N 3.18Å; K47-S50 PolarHBondContact O-N 2.69Å; K47-K51 PolarHBondContact O-N 3.13Å; K47-K51 VanDerWaalsContact O-N 3.12Å
48E81.2Confident80.7Confident72 Ų7272.6 Ų72.634%0.33637%0.367SS..Hα-helixtrans-70.3-38178.2-172.252.9-144.600112.3A44 K45 E46 S50 K51 K52A44-E48 WeakPolarHBondContact O-CB 3.49Å; A44-E48 PolarHBondContact O-N 2.87Å; K45-E48 PolarHBondContact O-N 3.28Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 3.29Å; E48-S50 PolarHBondContact O-N 3.34Å; E48-K51 PolarHBondContact O-N 2.71Å; E48-K51 WeakPolarHBondContact OE2-CD 3.47Å; E48-K51 WeakPolarHBondContact OE2-CE 3.36Å; E48-K51 IonicContact OE2-NZ 3.54Å; E48-K51 PolarHBondContact OE2-NZ 3.02Å; E48-K52 WeakPolarHBondContact O-CG 3.49Å; E48-K52 PolarHBondContact O-N 2.87Å; E48-K52 VanDerWaalsContact O-N 3.09Å; E48-K52 WeakPolarHBondContact OE1-CE 3.43Å
49A75.4Confident80.8Confident37 Ų3775.8 Ų75.831%0.30638%0.376SS..Hα-helixtrans-59-45171.300000111.8K45 E46 K51 K52 E53 L156K45-A49 PolarHBondContact O-N 3.29Å; E46-A49 WeakPolarHBondContact O-CB 3.45Å; E46-A49 PolarHBondContact O-N 3.24Å; A49-K51 VanDerWaalsContact C-N 3.33Å; A49-K51 PolarHBondContact O-N 2.78Å; A49-K52 PolarHBondContact O-N 3.17Å; A49-E53 WeakPolarHBondContact O-CB 3.35Å; A49-E53 PolarHBondContact O-N 3.11Å; A49-L156 HydrophobicContact CB-CD1 3.93Å
50S77.9Confident81Confident12 Ų1275.5 Ų75.58%0.08438%0.375CS..Hα-helixtrans-64.9-30.4176.1-67.90000113.9E46 K47 E48 V54E46-S50 PolarHBondContact O-N 3.02Å; E46-S50 PolarHBondContact O-OG 3.43Å; K47-S50 PolarHBondContact O-N 2.69Å; E48-S50 PolarHBondContact O-N 3.34Å; S50-V54 WeakPolarHBondContact O-CG2 3.47Å; S50-V54 PolarHBondContact O-N 3.14Å; S50-V54 VanDerWaalsContact O-N 3.09Å
51K79Confident81.4Confident116 Ų11674.7 Ų74.750%0.50438%0.376SS..Hα-helixtrans-65.9-49.4170.5-68-174.9-148.31520111.3K47 E48 A49 E53 V54 T55K47-K51 PolarHBondContact O-N 3.13Å; K47-K51 VanDerWaalsContact O-N 3.12Å; E48-K51 PolarHBondContact O-N 2.71Å; E48-K51 WeakPolarHBondContact OE2-CD 3.47Å; E48-K51 WeakPolarHBondContact OE2-CE 3.36Å; E48-K51 IonicContact OE2-NZ 3.54Å; E48-K51 PolarHBondContact OE2-NZ 3.02Å; A49-K51 VanDerWaalsContact C-N 3.33Å; A49-K51 PolarHBondContact O-N 2.78Å; K51-E53 VanDerWaalsContact C-N 3.29Å; K51-E53 PolarHBondContact O-N 3.33Å; K51-V54 PolarHBondContact O-N 3.02Å; K51-V54 VanDerWaalsContact O-N 3.11Å; K51-T55 PolarHBondContact O-N 3.4Å; K51-T55 PolarHBondContact O-OG1 3.01Å
52K78.9Confident82.2Confident138 Ų13866.8 Ų66.860%0.634%0.342SS*.Hα-helixtrans-61-39.4-179.9-68.8-179.4179.3-173.40111.6E48 A49 T55 L56E48-K52 WeakPolarHBondContact O-CG 3.49Å; E48-K52 PolarHBondContact O-N 2.87Å; E48-K52 VanDerWaalsContact O-N 3.09Å; E48-K52 WeakPolarHBondContact OE1-CE 3.43Å; A49-K52 PolarHBondContact O-N 3.17Å; K52-T55 PolarHBondContact O-N 3.05Å; K52-L56 WeakPolarHBondContact O-CB 3.35Å; K52-L56 PolarHBondContact O-N 2.9Å
53E76.8Confident82.8Confident19 Ų1966.9 Ų66.99%0.08935%0.346CS..Hα-helixtrans-56.2-50.9169.3162170.3-14000112.7A49 K51 T55 L56 L57 I152 A153A49-E53 WeakPolarHBondContact O-CB 3.35Å; A49-E53 PolarHBondContact O-N 3.11Å; K51-E53 VanDerWaalsContact C-N 3.29Å; K51-E53 PolarHBondContact O-N 3.33Å; E53-T55 VanDerWaalsContact C-N 3.33Å; E53-T55 PolarHBondContact O-N 2.89Å; E53-L56 PolarHBondContact O-N 3.43Å; E53-L57 WeakPolarHBondContact O-CB 3.49Å; E53-L57 PolarHBondContact O-N 2.86Å; E53-I152 HydrophobicContact CB-CB 4.25Å; E53-I152 HydrophobicContact CB-CG2 3.76Å; E53-I152 HydrophobicContact CG-CB 3.84Å; E53-I152 HydrophobicContact CG-CD1 4.33Å; E53-I152 HydrophobicContact CG-CG2 3.92Å; E53-A153 VanDerWaalsContact CD-N 3.26Å; E53-A153 WeakPolarHBondContact OE1-CA 3.48Å; E53-A153 VanDerWaalsContact OE1-CB 3.32Å; E53-A153 WeakPolarHBondContact OE1-CB 3.47Å; E53-A153 PolarHBondContact OE1-N 3.35Å; E53-A153 WeakPolarHBondContact OE2-CA 3.36Å; E53-A153 VanDerWaalsContact OE2-CB 3.31Å; E53-A153 WeakPolarHBondContact OE2-CB 3.39Å
54V83Confident83.5Confident11 Ų1164.4 Ų64.47%0.06733%0.328CS..Hα-helixtrans-65.1-37.6180167.50000111.9S50 K51 L57 S58 F68 T71 L78 I80S50-V54 WeakPolarHBondContact O-CG2 3.47Å; S50-V54 PolarHBondContact O-N 3.14Å; S50-V54 VanDerWaalsContact O-N 3.09Å; K51-V54 PolarHBondContact O-N 3.02Å; K51-V54 VanDerWaalsContact O-N 3.11Å; V54-L57 PolarHBondContact O-N 3.01Å; V54-S58 WeakPolarHBondContact O-CB 3.46Å; V54-S58 PolarHBondContact O-N 3.19Å; V54-F68 HydrophobicContact CG1-CE2 4.13Å; V54-F68 HydrophobicContact CG1-CZ 4.42Å; V54-T71 HydrophobicContact CG1-CG2 3.75Å; V54-L78 HydrophobicContact CG2-CD2 4.02Å; V54-I80 HydrophobicContact CG2-CD1 3.63Å; V54-I80 HydrophobicContact CG2-CG1 3.88Å
55T84.4Confident84.1Confident77 Ų7760.5 Ų60.547%0.47230%0.296SS..Hα-helixtrans-58.6-48.8172.5-59.60000110.7K51 K52 E53 S58 Q59K51-T55 PolarHBondContact O-N 3.4Å; K51-T55 PolarHBondContact O-OG1 3.01Å; K52-T55 PolarHBondContact O-N 3.05Å; E53-T55 VanDerWaalsContact C-N 3.33Å; E53-T55 PolarHBondContact O-N 2.89Å; T55-S58 PolarHBondContact O-N 3.4Å; T55-S58 PolarHBondContact O-OG 3.47Å; T55-Q59 WeakPolarHBondContact O-CG 3.25Å; T55-Q59 PolarHBondContact O-N 2.85Å
56L82.5Confident84.9Confident47 Ų4753.4 Ų53.425%0.24627%0.266CS..Hα-helixtrans-65-42.3178.8-175.9148000112K52 E53 S58 Q59 M60 I126 I152K52-L56 WeakPolarHBondContact O-CB 3.35Å; K52-L56 PolarHBondContact O-N 2.9Å; E53-L56 PolarHBondContact O-N 3.43Å; L56-S58 VanDerWaalsContact C-N 3.31Å; L56-S58 PolarHBondContact O-N 3.35Å; L56-Q59 WeakPolarHBondContact O-CB 3.44Å; L56-Q59 PolarHBondContact O-N 2.82Å; L56-Q59 VanDerWaalsContact O-N 3.1Å; L56-M60 HydrophobicContact CD2-CE 4.42Å; L56-M60 HydrophobicContact CG-CE 4.43Å; L56-M60 WeakPolarHBondContact O-CE 3.22Å; L56-M60 PolarHBondContact O-N 3.49Å; L56-I126 HydrophobicContact CD1-CD1 3.98Å; L56-I126 HydrophobicContact CD1-CG1 4.14Å; L56-I126 HydrophobicContact CD2-CD1 3.94Å; L56-I126 HydrophobicContact CD2-CG2 4.36Å; L56-I126 HydrophobicContact CG-CD1 4.07Å; L56-I152 HydrophobicContact CD2-CD1 3.51Å; L56-I152 HydrophobicContact CD2-CG1 4.01Å
57L83.9Confident85.6Confident16 Ų1652 Ų528%0.08427%0.265CS..Hα-helixtrans-59.5-39174.6-177.663.9000112.1E53 V54 Q59 M60 F68 I80 F150E53-L57 WeakPolarHBondContact O-CB 3.49Å; E53-L57 PolarHBondContact O-N 2.86Å; V54-L57 PolarHBondContact O-N 3.01Å; L57-Q59 PolarHBondContact O-N 2.84Å; L57-M60 PolarHBondContact O-N 3.15Å; L57-F68 HydrophobicContact CD2-CD2 4.13Å; L57-F68 HydrophobicContact CG-CB 4.39Å; L57-F68 HydrophobicContact CG-CD2 4.15Å; L57-I80 HydrophobicContact CD2-CD1 4.44Å; L57-I80 HydrophobicContact CD2-CG2 3.76Å; L57-F150 HydrophobicContact CD1-CD2 3.51Å; L57-F150 HydrophobicContact CD1-CE2 3.85Å; L57-F150 HydrophobicContact CD1-CG 4.43Å
58S86.7Confident86.1Confident40 Ų4050.4 Ų50.428%0.2826%0.258SS..Hα-helixtrans-66.4-18.5177.3800000114.3V54 T55 L56 K61 F68V54-S58 WeakPolarHBondContact O-CB 3.46Å; V54-S58 PolarHBondContact O-N 3.19Å; T55-S58 PolarHBondContact O-N 3.4Å; T55-S58 PolarHBondContact O-OG 3.47Å; L56-S58 VanDerWaalsContact C-N 3.31Å; L56-S58 PolarHBondContact O-N 3.35Å; S58-K61 WeakPolarHBondContact O-CE 3.23Å; S58-F68 VanDerWaalsContact CB-CE1 3.5Å
59Q86.4Confident86.7Confident120 Ų12049.6 Ų49.656%0.56126%0.255SS*.Hα-helixtrans-90.9-17.7177.5-63.9172.16.200112.9T55 L56 L57 K61T55-Q59 WeakPolarHBondContact O-CG 3.25Å; T55-Q59 PolarHBondContact O-N 2.85Å; L56-Q59 WeakPolarHBondContact O-CB 3.44Å; L56-Q59 PolarHBondContact O-N 2.82Å; L56-Q59 VanDerWaalsContact O-N 3.1Å; L57-Q59 PolarHBondContact O-N 2.84Å; Q59-K61 PolarHBondContact O-N 2.61Å; Q59-K61 VanDerWaalsContact O-N 3.14Å
60M87.6Confident87.4Confident6 Ų650.2 Ų50.23%0.0326%0.255CS..  trans-74.3102.5179.1-63.5-54.1101.500110.8L56 L57 I65 I126L56-M60 HydrophobicContact CD2-CE 4.42Å; L56-M60 HydrophobicContact CG-CE 4.43Å; L56-M60 WeakPolarHBondContact O-CE 3.22Å; L56-M60 PolarHBondContact O-N 3.49Å; L57-M60 PolarHBondContact O-N 3.15Å; M60-I65 HydrophobicContact CB-CD1 4.42Å; M60-I65 HydrophobicContact CB-CG2 4.39Å; M60-I126 HydrophobicContact CE-CD1 3.63Å; M60-I126 HydrophobicContact SD-CD1 3.87Å
61K91.1Very high88.1Confident167 Ų16752.3 Ų52.373%0.72627%0.268SS*.  trans-128.993.9-174.1-68.6-179.6-178.3176.10110.7S58 Q59 H120S58-K61 WeakPolarHBondContact O-CE 3.23Å; Q59-K61 PolarHBondContact O-N 2.61Å; Q59-K61 VanDerWaalsContact O-N 3.14Å; K61-H120 PolarHBondContact O-CE1 3.36Å
62H93.2Very high88.7Confident39 Ų3948.9 Ų48.918%0.18125%0.253CS..  trans-144.6142.6-179.8-171.2-104000110.5N64 I65 L116 H120H62-N64 PolarHBondContact CE1-OD1 3.06Å; H62-N64 PolarHBondContact ND1-N 3.28Å; H62-N64 PolarHBondContact O-N 3.4Å; H62-I65 HydrophobicContact CB-CB 4.02Å; H62-I65 HydrophobicContact CB-CD1 3.76Å; H62-I65 HydrophobicContact CB-CG1 3.93Å; H62-I65 PolarHBondContact O-N 3.36Å; H62-L116 VanDerWaalsContact CE1-C 3.45Å; H62-L116 PolarHBondContact CE1-O 3.39Å; H62-H120 HydrophobicContact CB-CB 4.2Å; H62-H120 AromaticContact CD2-CG 3.96Å; H62-H120 AromaticContact CD2-ND1 3.56Å; H62-H120 AromaticContact CG-CG 3.92Å; H62-H120 AromaticContact CG-ND1 3.85Å
63P93.8Very high89.3Confident39 Ų3948.6 Ų48.625%0.25325%0.254SS..THydrogen-bonded Turntrans-56-35.1179.220.2-34.3000113.7I65 K146 H272P63-I65 VanDerWaalsContact C-N 3.31Å; P63-I65 PolarHBondContact O-N 3.21Å; P63-K146 PolarHBondContact O-NZ 3.38Å; P63-H272 HydrophobicContact CG-CB 4.45Å
64N95.4Very high89.9Confident2 Ų249.7 Ų49.71%0.01126%0.258CS..THydrogen-bonded Turntrans-93.725.2177.5-50.4107.2000114H62 Q113 V145 K146 L147H62-N64 PolarHBondContact CE1-OD1 3.06Å; H62-N64 PolarHBondContact ND1-N 3.28Å; H62-N64 PolarHBondContact O-N 3.4Å; N64-Q113 WeakPolarHBondContact CB-O 3.42Å; N64-Q113 WeakPolarHBondContact ND2-CB 3.45Å; N64-Q113 PolarHBondContact ND2-OE1 2.73Å; N64-Q113 VanDerWaalsContact ND2-OE1 3.14Å; N64-V145 WeakPolarHBondContact CA-O 3.49Å; N64-V145 WeakPolarHBondContact CB-O 3.44Å; N64-V145 PolarHBondContact ND2-O 3.39Å; N64-K146 WeakPolarHBondContact O-CA 3.48Å; N64-L147 PolarHBondContact O-N 2.94Å
65I94Very high90.1Very high0 Ų056.2 Ų56.20%029%0.286CS..BIsolated β-bridgetrans-118.4147.7168.4-77.4177.3000108.2M60 H62 P63 S67 H120 I121 K146 L147 F150M60-I65 HydrophobicContact CB-CD1 4.42Å; M60-I65 HydrophobicContact CB-CG2 4.39Å; H62-I65 HydrophobicContact CB-CB 4.02Å; H62-I65 HydrophobicContact CB-CD1 3.76Å; H62-I65 HydrophobicContact CB-CG1 3.93Å; H62-I65 PolarHBondContact O-N 3.36Å; P63-I65 VanDerWaalsContact C-N 3.31Å; P63-I65 PolarHBondContact O-N 3.21Å; I65-S67 PolarHBondContact O-N 2.93Å; I65-H120 HydrophobicContact CD1-CB 4.4Å; I65-I121 HydrophobicContact CD1-CG1 4.26Å; I65-K146 PolarHBondContact O-NZ 3.17Å; I65-L147 CarbonylContact C-O 3.58Å; I65-L147 WeakPolarHBondContact CA-O 3.38Å; I65-F150 HydrophobicContact CB-CZ 4.22Å; I65-F150 HydrophobicContact CD1-CE1 4.12Å; I65-F150 HydrophobicContact CD1-CZ 3.8Å; I65-F150 HydrophobicContact CG1-CE1 4.44Å; I65-F150 HydrophobicContact CG1-CZ 3.83Å; I65-F150 HydrophobicContact CG2-CE2 3.89Å; I65-F150 HydrophobicContact CG2-CZ 3.52Å
66V93.3Very high90.2Very high10 Ų1053.9 Ų53.96%0.06128%0.277CS..  trans-70.1114.1168.1173.70000108.4F68 M82 E83 F137 K146 L147V66-F68 PolarHBondContact O-N 2.81Å; V66-M82 HydrophobicContact CG1-CB 3.99Å; V66-M82 HydrophobicContact CG1-SD 4.39Å; V66-E83 HydrophobicContact CG1-CG 4.11Å; V66-F137 HydrophobicContact CG2-CD2 3.78Å; V66-F137 HydrophobicContact CG2-CE2 4.48Å; V66-K146 HydrophobicContact CG2-CB 3.84Å; V66-L147 PolarHBondContact N-O 3.3Å
67S92.4Very high90.5Very high47 Ų4752 Ų5233%0.32927%0.268SS..  trans-69.7123.1-173.5-50.30000110.9I65 M82 E83I65-S67 PolarHBondContact O-N 2.93Å; S67-M82 WeakPolarHBondContact O-CA 3.4Å; S67-E83 WeakPolarHBondContact CB-OE1 3.47Å; S67-E83 PolarHBondContact N-OE1 3.12Å; S67-E83 PolarHBondContact O-N 3.24Å; S67-E83 PolarHBondContact OG-OE1 3.41Å
68F92.2Very high90.7Very high44 Ų4451.9 Ų51.919%0.19327%0.267CS..EExtended strand (participates in β ladder)trans-62.2137161.7175.6-89.6000110.5V54 L57 S58 V66 T70 T71 I80V54-F68 HydrophobicContact CG1-CE2 4.13Å; V54-F68 HydrophobicContact CG1-CZ 4.42Å; L57-F68 HydrophobicContact CD2-CD2 4.13Å; L57-F68 HydrophobicContact CG-CB 4.39Å; L57-F68 HydrophobicContact CG-CD2 4.15Å; S58-F68 VanDerWaalsContact CB-CE1 3.5Å; V66-F68 PolarHBondContact O-N 2.81Å; F68-T70 WeakPolarHBondContact CE2-O 3.49Å; F68-T71 HydrophobicContact CZ-CG2 3.99Å; F68-I80 HydrophobicContact CD2-CG2 4.03Å; F68-I80 HydrophobicContact CE2-CG2 4.11Å
69I91.8Very high90.9Very high54 Ų5450.9 Ų50.928%0.27726%0.258SS..EExtended strand (participates in β ladder)trans-108.3-57.2177.2-60.4179.4000110.2C32 V81C32-I69 HydrophobicContact CB-CD1 4.41Å; C32-I69 VanDerWaalsContact SG-CD1 3.57Å; I69-V81 HydrophobicContact CB-CB 4.42Å; I69-V81 HydrophobicContact CB-CG1 4.32Å; I69-V81 WeakPolarHBondContact CB-O 3.25Å; I69-V81 PolarHBondContact N-O 2.91Å
70T92Very high91.1Very high51 Ų5145.4 Ų45.431%0.31323%0.232SC..EExtended strand (participates in β ladder)trans-163.7171.7-179.6-169.40000111.8Y4 F68 V81Y4-T70 WeakPolarHBondContact OH-CG2 3.44Å; F68-T70 WeakPolarHBondContact CE2-O 3.49Å; T70-V81 HydrophobicContact CG2-CB 3.88Å; T70-V81 HydrophobicContact CG2-CG2 3.81Å; T70-V81 PolarHBondContact N-O 2.85Å; T70-V81 WeakPolarHBondContact O-CB 3.21Å; T70-V81 PolarHBondContact O-N 3.4Å
71T91.8Very high91.3Very high56 Ų5645.1 Ų45.134%0.34423%0.231SC..EExtended strand (participates in β ladder)trans-135.2143.5177.8179.90000110.3V54 F68 L78 Y79V54-T71 HydrophobicContact CG1-CG2 3.75Å; F68-T71 HydrophobicContact CZ-CG2 3.99Å; T71-L78 WeakPolarHBondContact OG1-CD1 3.44Å; T71-Y79 WeakPolarHBondContact CA-O 3.45Å
72F91.5Very high91.4Very high44 Ų4438 Ų3819%0.19320%0.2CC..EExtended strand (participates in β ladder)trans-148.7158.5170.261.7-85.7000111.3M1 Y4 E74 Y79 V81M1-F72 HydrophobicContact CB-CE2 4.27Å; M1-F72 HydrophobicContact SD-CE2 4.28Å; M1-F72 HydrophobicContact SD-CZ 3.72Å; Y4-F72 HydrophobicContact CD2-CE1 4.04Å; Y4-F72 HydrophobicContact CD2-CZ 4.16Å; Y4-F72 HydrophobicContact CE2-CD1 4.26Å; Y4-F72 AromaticContact CE2-CE1 3.46Å; Y4-F72 HydrophobicContact CE2-CE1 3.46Å; Y4-F72 VanDerWaalsContact CE2-CE1 3.46Å; Y4-F72 HydrophobicContact CE2-CZ 4.04Å; F72-E74 HydrophobicContact CD2-CB 4.46Å; F72-Y79 AromaticContact CD2-CD2 3.78Å; F72-Y79 HydrophobicContact CD2-CD2 3.78Å; F72-Y79 HydrophobicContact CD2-CG 4.05Å; F72-Y79 HydrophobicContact CE1-CG 4.42Å; F72-Y79 VanDerWaalsContact CE2-CB 3.47Å; F72-Y79 HydrophobicContact CE2-CD1 4.12Å; F72-Y79 AromaticContact CE2-CD2 3.44Å; F72-Y79 HydrophobicContact CE2-CD2 3.44Å; F72-Y79 VanDerWaalsContact CE2-CD2 3.44Å; F72-Y79 HydrophobicContact CE2-CE2 4.16Å; F72-Y79 AromaticContact CE2-CG 3.41Å; F72-Y79 HydrophobicContact CE2-CG 3.41Å; F72-Y79 VanDerWaalsContact CE2-CG 3.41Å; F72-Y79 HydrophobicContact CZ-CD1 4.11Å; F72-Y79 HydrophobicContact CZ-CD2 4.16Å; F72-Y79 AromaticContact CZ-CG 3.63Å; F72-Y79 HydrophobicContact CZ-CG 3.63Å; F72-Y79 PolarHBondContact N-O 3.09Å; F72-Y79 PolarHBondContact O-N 2.95Å; F72-V81 HydrophobicContact CD1-CG2 4.16Å; F72-V81 HydrophobicContact CE1-CG2 3.68Å
73Q90.8Very high91.4Very high132 Ų13237.9 Ų37.962%0.61720%0.199SC*.EExtended strand (participates in β ladder)trans-119.5128.2177.4-174.6178.4-38.900109.7L39 S77L39-Q73 HydrophobicContact CD1-CG 4.11Å; Q73-S77 CarbonylContact C-O 3.58Å; Q73-S77 WeakPolarHBondContact CA-O 3.37Å; Q73-S77 WeakPolarHBondContact CG-O 3.33Å
74E89.7Confident91.4Very high41 Ų4139.4 Ų39.419%0.19220%0.201CC..EExtended strand (participates in β ladder)trans-144.3139.8-179-165.4-169138.100110.2M1 F72 G76 S77 Y79M1-E74 WeakPolarHBondContact CA-OE2 3.3Å; M1-E74 VanDerWaalsContact CB-OE2 3.29Å; M1-E74 WeakPolarHBondContact CB-OE2 3.44Å; M1-E74 PolarHBondContact N-OE2 3.42Å; F72-E74 HydrophobicContact CD2-CB 4.46Å; E74-G76 PolarHBondContact O-N 2.89Å; E74-S77 PolarHBondContact N-O 3.45Å; E74-S77 PolarHBondContact O-N 2.84Å; E74-Y79 HydrophobicContact CB-CD2 4.32Å; E74-Y79 HydrophobicContact CB-CE2 3.79Å
75K87.5Confident91.3Very high149 Ų14939.7 Ų39.765%0.64820%0.203SC*.THydrogen-bonded Turntrans51.328.5173.3-68.8154.9-177.3153.90114.8R40R40-K75 PolarHBondContact NE-O 2.82Å; R40-K75 VanDerWaalsContact NE-O 3.07Å; R40-K75 PolarHBondContact NH2-O 3.01Å
76G86Confident91.1Very high27 Ų2744 Ų4428%0.27823%0.226SC..THydrogen-bonded Turntrans78.716.4-177.600000115.2L39 R40 E74L39-G76 WeakPolarHBondContact CB-O 3.14Å; L39-G76 PolarHBondContact N-O 2.69Å; R40-G76 PolarHBondContact N-O 3.23Å; E74-G76 PolarHBondContact O-N 2.89Å
77S88.7Confident91Very high8 Ų845.2 Ų45.26%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-116146.3168-58.50000110.8Q36 I37 Q73 E74 Y79Q36-S77 PolarHBondContact NE2-OG 3.42Å; I37-S77 CarbonylContact O-C 3.57Å; I37-S77 VanDerWaalsContact O-CA 3.28Å; I37-S77 WeakPolarHBondContact O-CA 3.31Å; I37-S77 WeakPolarHBondContact O-CB 3.41Å; Q73-S77 CarbonylContact C-O 3.58Å; Q73-S77 WeakPolarHBondContact CA-O 3.37Å; Q73-S77 WeakPolarHBondContact CG-O 3.33Å; E74-S77 PolarHBondContact N-O 3.45Å; E74-S77 PolarHBondContact O-N 2.84Å; S77-Y79 WeakPolarHBondContact O-CD2 3.37Å; S77-Y79 WeakPolarHBondContact O-CE2 3.49Å
78L88.4Confident91Very high14 Ų1444.1 Ų44.17%0.07324%0.237CC..EExtended strand (participates in β ladder)trans-91.2137.7167.8174.462.9000108.5Q36 I37 L39 V54 T71 I80Q36-L78 CarbonylContact C-O 3.56Å; Q36-L78 WeakPolarHBondContact CA-O 3.27Å; I37-L78 HydrophobicContact CB-CB 4.37Å; I37-L78 PolarHBondContact N-O 3.11Å; I37-L78 PolarHBondContact O-N 2.93Å; L39-L78 HydrophobicContact CD1-CB 4.05Å; L39-L78 HydrophobicContact CD2-CB 3.95Å; L39-L78 HydrophobicContact CD2-CD2 4.38Å; L39-L78 HydrophobicContact CG-CB 3.94Å; V54-L78 HydrophobicContact CG2-CD2 4.02Å; T71-L78 WeakPolarHBondContact OG1-CD1 3.44Å; L78-I80 HydrophobicContact CG-CG1 4.36Å
79Y90.9Very high91.1Very high19 Ų1942.8 Ų42.88%0.07523%0.231CC..EExtended strand (participates in β ladder)trans-125.1111.8-179.8-62.6-95.2000109M1 V34 K35 Q36 T71 F72 E74 S77M1-Y79 HydrophobicContact SD-CD1 4.38Å; M1-Y79 HydrophobicContact SD-CE1 4.49Å; V34-Y79 HydrophobicContact CG1-CD1 3.72Å; V34-Y79 HydrophobicContact CG1-CG 4.37Å; K35-Y79 WeakPolarHBondContact O-CA 3.47Å; Q36-Y79 HydrophobicContact CB-CD1 3.91Å; Q36-Y79 HydrophobicContact CB-CE1 3.82Å; Q36-Y79 HydrophobicContact CG-CD1 3.98Å; Q36-Y79 HydrophobicContact CG-CE1 3.5Å; Q36-Y79 VanDerWaalsContact CG-CE1 3.5Å; Q36-Y79 PolarHBondContact NE2-OH 2.89Å; T71-Y79 WeakPolarHBondContact CA-O 3.45Å; F72-Y79 AromaticContact CD2-CD2 3.78Å; F72-Y79 HydrophobicContact CD2-CD2 3.78Å; F72-Y79 HydrophobicContact CD2-CG 4.05Å; F72-Y79 HydrophobicContact CE1-CG 4.42Å; F72-Y79 VanDerWaalsContact CE2-CB 3.47Å; F72-Y79 HydrophobicContact CE2-CD1 4.12Å; F72-Y79 AromaticContact CE2-CD2 3.44Å; F72-Y79 HydrophobicContact CE2-CD2 3.44Å; F72-Y79 VanDerWaalsContact CE2-CD2 3.44Å; F72-Y79 HydrophobicContact CE2-CE2 4.16Å; F72-Y79 AromaticContact CE2-CG 3.41Å; F72-Y79 HydrophobicContact CE2-CG 3.41Å; F72-Y79 VanDerWaalsContact CE2-CG 3.41Å; F72-Y79 HydrophobicContact CZ-CD1 4.11Å; F72-Y79 HydrophobicContact CZ-CD2 4.16Å; F72-Y79 AromaticContact CZ-CG 3.63Å; F72-Y79 HydrophobicContact CZ-CG 3.63Å; F72-Y79 PolarHBondContact N-O 3.09Å; F72-Y79 PolarHBondContact O-N 2.95Å; E74-Y79 HydrophobicContact CB-CD2 4.32Å; E74-Y79 HydrophobicContact CB-CE2 3.79Å; S77-Y79 WeakPolarHBondContact O-CD2 3.37Å; S77-Y79 WeakPolarHBondContact O-CE2 3.49Å
80I90.9Very high91.3Very high5 Ų540.2 Ų40.23%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-97.5124.6176.9-56.3173.7000107.6V34 K35 I37 V54 L57 F68 L78 M82V34-I80 WeakPolarHBondContact CA-O 3.15Å; K35-I80 HydrophobicContact CB-CB 4.43Å; K35-I80 PolarHBondContact N-O 3.11Å; K35-I80 PolarHBondContact O-N 3.21Å; I37-I80 HydrophobicContact CD1-CD1 3.81Å; V54-I80 HydrophobicContact CG2-CD1 3.63Å; V54-I80 HydrophobicContact CG2-CG1 3.88Å; L57-I80 HydrophobicContact CD2-CD1 4.44Å; L57-I80 HydrophobicContact CD2-CG2 3.76Å; F68-I80 HydrophobicContact CD2-CG2 4.03Å; F68-I80 HydrophobicContact CE2-CG2 4.11Å; L78-I80 HydrophobicContact CG-CG1 4.36Å; I80-M82 HydrophobicContact CG2-CG 4.01Å; I80-M82 HydrophobicContact CG2-SD 4.31Å
81V92.5Very high91.4Very high0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-107.2128.7-178-166.10000109.7Y4 C32 V33 V34 I69 T70 F72Y4-V81 HydrophobicContact CE1-CG1 4Å; Y4-V81 HydrophobicContact CE2-CG2 4.22Å; C32-V81 HydrophobicContact CB-CG1 4.12Å; V33-V81 CarbonylContact O-C 3.53Å; V33-V81 WeakPolarHBondContact O-CA 3.15Å; V34-V81 HydrophobicContact CG2-CG1 4.2Å; V34-V81 HydrophobicContact CG2-CG2 4.15Å; I69-V81 HydrophobicContact CB-CB 4.42Å; I69-V81 HydrophobicContact CB-CG1 4.32Å; I69-V81 WeakPolarHBondContact CB-O 3.25Å; I69-V81 PolarHBondContact N-O 2.91Å; T70-V81 HydrophobicContact CG2-CB 3.88Å; T70-V81 HydrophobicContact CG2-CG2 3.81Å; T70-V81 PolarHBondContact N-O 2.85Å; T70-V81 WeakPolarHBondContact O-CB 3.21Å; T70-V81 PolarHBondContact O-N 3.4Å; F72-V81 HydrophobicContact CD1-CG2 4.16Å; F72-V81 HydrophobicContact CE1-CG2 3.68Å
82M92.9Very high91.5Very high18 Ų1842.3 Ų42.39%0.08922%0.219CC..EExtended strand (participates in β ladder)trans-135.1161.4-170.9-54.3-174.2-61.500110.5V33 K35 V66 S67 I80V33-M82 HydrophobicContact CG1-CE 4.13Å; V33-M82 PolarHBondContact N-O 3.09Å; V33-M82 PolarHBondContact O-N 3.24Å; K35-M82 HydrophobicContact CB-CE 4.35Å; V66-M82 HydrophobicContact CG1-CB 3.99Å; V66-M82 HydrophobicContact CG1-SD 4.39Å; S67-M82 WeakPolarHBondContact O-CA 3.4Å; I80-M82 HydrophobicContact CG2-CG 4.01Å; I80-M82 HydrophobicContact CG2-SD 4.31Å
83E92.7Very high91.7Very high35 Ų3543.4 Ų43.416%0.16422%0.224CC..EExtended strand (participates in β ladder)trans-62.7140.2172.174.4-176.512700111.8V66 S67 K146V66-E83 HydrophobicContact CG1-CG 4.11Å; S67-E83 WeakPolarHBondContact CB-OE1 3.47Å; S67-E83 PolarHBondContact N-OE1 3.12Å; S67-E83 PolarHBondContact O-N 3.24Å; S67-E83 PolarHBondContact OG-OE1 3.41Å; E83-K146 VanDerWaalsContact CD-CE 3.42Å; E83-K146 WeakPolarHBondContact OE1-CE 3.42Å; E83-K146 IonicContact OE1-NZ 3.34Å; E83-K146 PolarHBondContact OE1-NZ 2.8Å; E83-K146 VanDerWaalsContact OE2-CE 3.23Å; E83-K146 WeakPolarHBondContact OE2-CE 3.49Å; E83-K146 IonicContact OE2-NZ 3.83Å; E83-K146 PolarHBondContact OE2-NZ 3.48Å
84Y93Very high91.9Very high71 Ų7137.3 Ų37.328%0.27820%0.196SC..  trans-81132.6170.8176.1-120.1000110.5L20 V33L20-Y84 HydrophobicContact CD1-CD1 3.94Å; L20-Y84 HydrophobicContact CD1-CD2 3.66Å; L20-Y84 HydrophobicContact CD1-CE1 4.21Å; L20-Y84 HydrophobicContact CD1-CE2 3.94Å; L20-Y84 HydrophobicContact CD1-CG 3.65Å; L20-Y84 HydrophobicContact CD2-CE2 4.37Å; V33-Y84 HydrophobicContact CG2-CD2 3.76Å; V33-Y84 HydrophobicContact CG2-CG 4.45Å
85C93.8Very high92.2Very high8 Ų840.4 Ų40.45%0.05421%0.214CC..  trans-98.7110.5176.8-66.20000110.6G87 G88 F137 T139C85-G87 PolarHBondContact O-N 3.44Å; C85-G88 PolarHBondContact O-N 3.36Å; C85-F137 HydrophobicContact CB-CB 3.61Å; C85-F137 HydrophobicContact CB-CG 4.29Å; C85-T139 HydrophobicContact CB-CG2 3.57Å; C85-T139 VanDerWaalsContact SG-CG2 3.57Å
86D90.9Very high92.5Very high92 Ų9239.6 Ų39.649%0.49221%0.214SC..THydrogen-bonded Turntrans-67.6-29.5-17061-61000114.5G88 T139 S140D86-G88 VanDerWaalsContact C-N 3.32Å; D86-G88 PolarHBondContact O-N 3.48Å; D86-T139 WeakPolarHBondContact OD1-CA 3.06Å; D86-T139 VanDerWaalsContact OD1-CB 3.31Å; D86-T139 WeakPolarHBondContact OD1-CB 3.4Å; D86-S140 PolarHBondContact OD1-N 3.29Å; D86-S140 PolarHBondContact OD2-N 3.03Å
87G91Very high92.9Very high35 Ų3540.4 Ų40.436%0.36121%0.21SC..THydrogen-bonded Turntrans-82.9-0.3-177.900000115.3C85 L138C85-G87 PolarHBondContact O-N 3.44Å; G87-L138 WeakPolarHBondContact CA-O 3.45Å; G87-L138 PolarHBondContact N-O 3.18Å
88G92.5Very high93.1Very high24 Ų2451.4 Ų51.425%0.24725%0.251CS..  trans72.5-164.3-175.800000113.7C85 D86 F137 L138C85-G88 PolarHBondContact O-N 3.36Å; D86-G88 VanDerWaalsContact C-N 3.32Å; D86-G88 PolarHBondContact O-N 3.48Å; G88-F137 CarbonylContact O-C 3.56Å; G88-F137 WeakPolarHBondContact O-CA 3.39Å; G88-L138 PolarHBondContact O-N 3.44Å
89D93.6Very high93.3Very high15 Ų1553.5 Ų53.58%0.0828%0.276CS..BIsolated β-bridgetrans-92.3159.1178.155.797.5000113.6L91 K92 K93 Q134 I136 F137D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 3.41Å; D89-K92 PolarHBondContact O-N 2.83Å; D89-K92 WeakPolarHBondContact OD1-CG 3.26Å; D89-K92 PolarHBondContact OD1-N 3.37Å; D89-K92 IonicContact OD1-NZ 3.1Å; D89-K92 VanDerWaalsContact OD2-CD 3.27Å; D89-K92 WeakPolarHBondContact OD2-CD 3.23Å; D89-K92 WeakPolarHBondContact OD2-CE 3.46Å; D89-K92 IonicContact OD2-NZ 2.66Å; D89-K92 PolarHBondContact OD2-NZ 3.39Å; D89-K93 PolarHBondContact O-N 3.12Å; D89-K93 VanDerWaalsContact O-N 3.13Å; D89-Q134 WeakPolarHBondContact CB-O 3.3Å; D89-I136 CarbonylContact C-O 3.45Å; D89-I136 WeakPolarHBondContact CA-O 3.39Å; D89-F137 HydrophobicContact CB-CD1 4.14Å; D89-F137 HydrophobicContact CB-CE1 4.16Å
90L95.6Very high93.6Very high0 Ų057.9 Ų57.90%030%0.299CS..Hα-helixtrans-67.2-31.8-176.9-162.965.7000112.2K93 I94 W110 I114 S133 I136 L138 V195 L199L90-K93 HydrophobicContact CD1-CB 4.48Å; L90-K93 CarbonylContact O-C 3.49Å; L90-K93 WeakPolarHBondContact O-CB 3.31Å; L90-K93 PolarHBondContact O-N 2.87Å; L90-K93 VanDerWaalsContact O-N 3.13Å; L90-I94 HydrophobicContact CG-CD1 4.24Å; L90-I94 WeakPolarHBondContact O-CD1 3.33Å; L90-I94 WeakPolarHBondContact O-CG1 3.11Å; L90-I94 PolarHBondContact O-N 2.84Å; L90-W110 HydrophobicContact CD1-CD2 4.36Å; L90-W110 HydrophobicContact CD1-CE3 4.01Å; L90-W110 HydrophobicContact CD1-CZ3 4.12Å; L90-I114 HydrophobicContact CD2-CD1 4.24Å; L90-S133 WeakPolarHBondContact CB-O 3.5Å; L90-S133 PolarHBondContact N-O 3.45Å; L90-S133 VanDerWaalsContact N-O 3.11Å; L90-I136 HydrophobicContact CB-CB 4.17Å; L90-I136 HydrophobicContact CB-CG2 4.2Å; L90-I136 WeakPolarHBondContact CB-O 3.37Å; L90-I136 HydrophobicContact CD2-CB 4.36Å; L90-I136 HydrophobicContact CD2-CG2 3.93Å; L90-I136 PolarHBondContact N-O 2.72Å; L90-L138 HydrophobicContact CD1-CD1 4.19Å; L90-L138 HydrophobicContact CD1-CD2 4.2Å; L90-L138 HydrophobicContact CD1-CG 4.37Å; L90-V195 HydrophobicContact CD2-CG1 3.94Å; L90-L199 HydrophobicContact CD1-CD2 4.09Å; L90-L199 HydrophobicContact CD2-CD1 4.29Å; L90-L199 HydrophobicContact CD2-CD2 4.05Å; L90-L199 HydrophobicContact CD2-CG 4.28Å; L90-L199 HydrophobicContact CG-CD2 4.15Å
91L94.4Very high93.8Very high32 Ų3260 Ų6017%0.16831%0.314CS..Hα-helixtrans-62.7-46174.6-176.259.4000111.3D89 K93 I94 N95 S133 Q134D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 3.41Å; L91-K93 VanDerWaalsContact C-N 3.28Å; L91-K93 PolarHBondContact O-N 3.32Å; L91-I94 PolarHBondContact O-N 2.91Å; L91-N95 WeakPolarHBondContact O-CB 3.46Å; L91-N95 VanDerWaalsContact O-CG 3.31Å; L91-N95 PolarHBondContact O-N 3.49Å; L91-N95 PolarHBondContact O-ND2 3.02Å; L91-S133 WeakPolarHBondContact CB-OG 3.24Å; L91-S133 PolarHBondContact N-O 3.49Å; L91-Q134 HydrophobicContact CB-CG 4.11Å; L91-Q134 HydrophobicContact CD2-CG 3.5Å; L91-Q134 HydrophobicContact CG-CG 4.45Å
92K93.8Very high94.1Very high119 Ų11960.8 Ų60.852%0.51732%0.317SS..Hα-helixtrans-58.1-41.3171.2-75.6-177.5-169.568.30111.4D89 I94 N95 M96D89-K92 PolarHBondContact O-N 2.83Å; D89-K92 WeakPolarHBondContact OD1-CG 3.26Å; D89-K92 PolarHBondContact OD1-N 3.37Å; D89-K92 IonicContact OD1-NZ 3.1Å; D89-K92 VanDerWaalsContact OD2-CD 3.27Å; D89-K92 WeakPolarHBondContact OD2-CD 3.23Å; D89-K92 WeakPolarHBondContact OD2-CE 3.46Å; D89-K92 IonicContact OD2-NZ 2.66Å; D89-K92 PolarHBondContact OD2-NZ 3.39Å; K92-I94 PolarHBondContact O-N 3.39Å; K92-N95 PolarHBondContact O-N 2.89Å; K92-M96 WeakPolarHBondContact O-CB 3.07Å; K92-M96 WeakPolarHBondContact O-CG 3.23Å; K92-M96 PolarHBondContact O-N 2.8Å
93K95.6Very high94.2Very high67 Ų6763.6 Ų63.629%0.29134%0.339SS..Hα-helixtrans-64.9-37178-169.865.4172.8-176.80113.3D89 L90 L91 F102 W110 L138D89-K93 PolarHBondContact O-N 3.12Å; D89-K93 VanDerWaalsContact O-N 3.13Å; L90-K93 HydrophobicContact CD1-CB 4.48Å; L90-K93 CarbonylContact O-C 3.49Å; L90-K93 WeakPolarHBondContact O-CB 3.31Å; L90-K93 PolarHBondContact O-N 2.87Å; L90-K93 VanDerWaalsContact O-N 3.13Å; L91-K93 VanDerWaalsContact C-N 3.28Å; L91-K93 PolarHBondContact O-N 3.32Å; K93-F102 HydrophobicContact CG-CE1 4.36Å; K93-F102 HydrophobicContact CG-CZ 4.18Å; K93-W110 HydrophobicContact CD-CH2 4.45Å; K93-W110 HydrophobicContact CG-CH2 3.68Å; K93-W110 HydrophobicContact CG-CZ2 4.29Å; K93-W110 HydrophobicContact CG-CZ3 4.44Å; K93-L138 HydrophobicContact CB-CD1 3.72Å; K93-L138 HydrophobicContact CD-CD1 4.06Å; K93-L138 HydrophobicContact CG-CD1 3.63Å
94I95.9Very high94.4Very high5 Ų564.5 Ų64.53%0.02634%0.343CS..Hα-helixtrans-64.4-52.3172.7-73.4154.8000109.9L90 L91 K92 M96 Q97 F102 E198 L199 L202L90-I94 HydrophobicContact CG-CD1 4.24Å; L90-I94 WeakPolarHBondContact O-CD1 3.33Å; L90-I94 WeakPolarHBondContact O-CG1 3.11Å; L90-I94 PolarHBondContact O-N 2.84Å; L91-I94 PolarHBondContact O-N 2.91Å; K92-I94 PolarHBondContact O-N 3.39Å; I94-M96 VanDerWaalsContact C-N 3.26Å; I94-M96 PolarHBondContact O-N 2.74Å; I94-Q97 WeakPolarHBondContact O-CB 3.31Å; I94-Q97 PolarHBondContact O-N 3.04Å; I94-F102 HydrophobicContact CG1-CE2 4Å; I94-F102 HydrophobicContact CG1-CZ 4.49Å; I94-E198 HydrophobicContact CD1-CB 3.92Å; I94-L199 HydrophobicContact CD1-CD2 4.37Å; I94-L199 HydrophobicContact CG1-CD2 4.28Å; I94-L202 HydrophobicContact CG2-CB 4.16Å; I94-L202 HydrophobicContact CG2-CD2 3.97Å
95N94.7Very high94.5Very high105 Ų10563.9 Ų63.956%0.56135%0.352SS*.Hα-helixtrans-61.3-33.4-179.6-69.6-21000112.8L91 K92 Q97 R98L91-N95 WeakPolarHBondContact O-CB 3.46Å; L91-N95 VanDerWaalsContact O-CG 3.31Å; L91-N95 PolarHBondContact O-N 3.49Å; L91-N95 PolarHBondContact O-ND2 3.02Å; K92-N95 PolarHBondContact O-N 2.89Å; N95-Q97 PolarHBondContact O-N 3.35Å; N95-R98 PolarHBondContact O-N 2.65Å
96M95.1Very high94.6Very high133 Ų13366 Ų6666%0.65536%0.361SS*.THydrogen-bonded Turntrans-62.5-19.2174.7-77.8172.3-175.900114.2K92 I94 R98K92-M96 WeakPolarHBondContact O-CB 3.07Å; K92-M96 WeakPolarHBondContact O-CG 3.23Å; K92-M96 PolarHBondContact O-N 2.8Å; I94-M96 VanDerWaalsContact C-N 3.26Å; I94-M96 PolarHBondContact O-N 2.74Å; M96-R98 VanDerWaalsContact C-N 3.31Å; M96-R98 PolarHBondContact O-N 2.84Å
97Q94.2Very high94.9Very high44 Ų4461.6 Ų61.621%0.20634%0.338CS..THydrogen-bonded Turntrans-72.6-19.8177.4-68.7-55.1-26.400114.5I94 N95 G99 I100 F102 L202I94-Q97 WeakPolarHBondContact O-CB 3.31Å; I94-Q97 PolarHBondContact O-N 3.04Å; N95-Q97 PolarHBondContact O-N 3.35Å; Q97-G99 PolarHBondContact O-N 3.14Å; Q97-I100 VanDerWaalsContact CB-O 3.28Å; Q97-I100 WeakPolarHBondContact CB-O 3.4Å; Q97-I100 WeakPolarHBondContact O-CB 3.47Å; Q97-I100 WeakPolarHBondContact O-CG1 3.44Å; Q97-I100 PolarHBondContact O-N 3.23Å; Q97-F102 HydrophobicContact CG-CD1 4.37Å; Q97-F102 HydrophobicContact CG-CD2 4.34Å; Q97-F102 HydrophobicContact CG-CE1 3.78Å; Q97-F102 HydrophobicContact CG-CE2 3.75Å; Q97-F102 HydrophobicContact CG-CZ 3.43Å; Q97-F102 VanDerWaalsContact CG-CZ 3.43Å; Q97-L202 HydrophobicContact CB-CD1 3.99Å; Q97-L202 HydrophobicContact CB-CD2 4.31Å; Q97-L202 HydrophobicContact CG-CD2 4.3Å
98R92.8Very high95.1Very high238 Ų23860.3 Ų60.390%0.89832%0.323SS*.THydrogen-bonded Turntrans50.933.8179.2-57.3179.1175.8-172.2-2.7113.9N95 M96N95-R98 PolarHBondContact O-N 2.65Å; M96-R98 VanDerWaalsContact C-N 3.31Å; M96-R98 PolarHBondContact O-N 2.84Å
99G92.7Very high95.3Very high59 Ų5961 Ų6161%0.60832%0.321SS*.THydrogen-bonded Turntrans100.5-9.4-179.400000115.9Q97 P101 L202Q97-G99 PolarHBondContact O-N 3.14Å; G99-P101 WeakPolarHBondContact O-CD 3.18Å; G99-L202 VanDerWaalsContact C-CD1 3.5Å
100I96.3Very high95.4Very high110 Ų11060.4 Ų60.456%0.56432%0.317SS*.PPolyproline II helixtrans-75.7117178.2-58.8173.4000109.9Q97 L202Q97-I100 VanDerWaalsContact CB-O 3.28Å; Q97-I100 WeakPolarHBondContact CB-O 3.4Å; Q97-I100 WeakPolarHBondContact O-CB 3.47Å; Q97-I100 WeakPolarHBondContact O-CG1 3.44Å; Q97-I100 PolarHBondContact O-N 3.23Å; I100-L202 WeakPolarHBondContact O-CD1 3.33Å
101P96.3Very high95.5Very high51 Ų5160.4 Ų60.433%0.33132%0.318SS..PPolyproline II helixtrans-65.5143.9-178.627.4-34.4000111.7G99 Y230G99-P101 WeakPolarHBondContact O-CD 3.18Å; P101-Y230 WeakPolarHBondContact CB-OH 3.16Å
102F97.4Very high95.7Very high16 Ų1658.9 Ų58.97%0.0731%0.31CS..PPolyproline II helixtrans-65.9152.6169.8-67.9-78.9000110.9K93 I94 Q97 Q106 I107 W110 L199 L202K93-F102 HydrophobicContact CG-CE1 4.36Å; K93-F102 HydrophobicContact CG-CZ 4.18Å; I94-F102 HydrophobicContact CG1-CE2 4Å; I94-F102 HydrophobicContact CG1-CZ 4.49Å; Q97-F102 HydrophobicContact CG-CD1 4.37Å; Q97-F102 HydrophobicContact CG-CD2 4.34Å; Q97-F102 HydrophobicContact CG-CE1 3.78Å; Q97-F102 HydrophobicContact CG-CE2 3.75Å; Q97-F102 HydrophobicContact CG-CZ 3.43Å; Q97-F102 VanDerWaalsContact CG-CZ 3.43Å; F102-Q106 HydrophobicContact CD1-CG 4.37Å; F102-I107 HydrophobicContact CB-CD1 4.05Å; F102-I107 HydrophobicContact CB-CG1 3.7Å; F102-W110 AromaticContact CD1-CH2 3.95Å; F102-W110 HydrophobicContact CD1-CH2 3.95Å; F102-W110 AromaticContact CD1-CZ3 3.69Å; F102-W110 HydrophobicContact CD1-CZ3 3.69Å; F102-W110 AromaticContact CE1-CH2 3.41Å; F102-W110 HydrophobicContact CE1-CH2 3.41Å; F102-W110 VanDerWaalsContact CE1-CH2 3.41Å; F102-W110 AromaticContact CE1-CZ3 3.39Å; F102-W110 HydrophobicContact CE1-CZ3 3.39Å; F102-W110 HydrophobicContact CE2-CZ3 4.31Å; F102-W110 HydrophobicContact CG-CZ3 4.27Å; F102-W110 HydrophobicContact CZ-CH2 4.01Å; F102-W110 AromaticContact CZ-CZ3 3.74Å; F102-W110 HydrophobicContact CZ-CZ3 3.74Å; F102-L199 HydrophobicContact CD2-CD2 4.38Å; F102-L199 WeakPolarHBondContact CD2-O 3.39Å; F102-L199 HydrophobicContact CE2-CD2 4.22Å; F102-L202 HydrophobicContact CD2-CD2 3.76Å; F102-L202 HydrophobicContact CE2-CD2 3.59Å
103S97Very high95.8Very high77 Ų7753.4 Ų53.454%0.53829%0.286SS..PPolyproline II helixtrans-71.2144.2168.962.90000110.5A105 Q106 I107S103-A105 VanDerWaalsContact C-N 3.26Å; S103-A105 PolarHBondContact O-N 3.29Å; S103-Q106 WeakPolarHBondContact O-CB 3.44Å; S103-Q106 PolarHBondContact O-N 3.17Å; S103-Q106 WeakPolarHBondContact OG-CB 3.43Å; S103-I107 PolarHBondContact O-N 3.41Å
104E96.8Very high95.9Very high54 Ų5450.3 Ų50.325%0.25227%0.272SS..Hα-helixtrans-56.3-40.4-178.4-176.5159.6146.900112.6Q106 I107 V108 Y230 S231 L234E104-Q106 VanDerWaalsContact C-N 3.28Å; E104-Q106 PolarHBondContact O-N 2.91Å; E104-I107 PolarHBondContact O-N 2.69Å; E104-I107 VanDerWaalsContact O-N 3.16Å; E104-V108 HydrophobicContact CG-CG2 4.25Å; E104-V108 WeakPolarHBondContact O-CB 3.43Å; E104-V108 WeakPolarHBondContact O-CG2 3.45Å; E104-V108 PolarHBondContact O-N 3.32Å; E104-Y230 HydrophobicContact CB-CD1 4.21Å; E104-Y230 VanDerWaalsContact OE2-CA 3.27Å; E104-Y230 WeakPolarHBondContact OE2-CA 3.43Å; E104-Y230 WeakPolarHBondContact OE2-CB 3.26Å; E104-S231 WeakPolarHBondContact OE1-CB 3.48Å; E104-S231 PolarHBondContact OE1-OG 3.33Å; E104-S231 PolarHBondContact OE2-N 3.25Å; E104-L234 HydrophobicContact CG-CD2 4.08Å
105A94.5Very high96Very high57 Ų5750.1 Ų50.147%0.47127%0.271SS..Hα-helixtrans-58.7-37.1174.900000112.9S103 D109S103-A105 VanDerWaalsContact C-N 3.26Å; S103-A105 PolarHBondContact O-N 3.29Å; A105-D109 WeakPolarHBondContact O-CB 3.49Å; A105-D109 PolarHBondContact O-N 3.34Å
106Q95.3Very high96.1Very high52 Ų5246.2 Ų46.224%0.24325%0.25CS..Hα-helixtrans-72.5-37.5176.6-178.261.797.500112F102 S103 E104 W110F102-Q106 HydrophobicContact CD1-CG 4.37Å; S103-Q106 WeakPolarHBondContact O-CB 3.44Å; S103-Q106 PolarHBondContact O-N 3.17Å; S103-Q106 WeakPolarHBondContact OG-CB 3.43Å; E104-Q106 VanDerWaalsContact C-N 3.28Å; E104-Q106 PolarHBondContact O-N 2.91Å; Q106-W110 HydrophobicContact CG-CD2 4.14Å; Q106-W110 HydrophobicContact CG-CE3 4.06Å; Q106-W110 HydrophobicContact CG-CH2 3.94Å; Q106-W110 HydrophobicContact CG-CZ2 4.01Å; Q106-W110 HydrophobicContact CG-CZ3 3.97Å; Q106-W110 VanDerWaalsContact NE2-CE2 3.26Å; Q106-W110 WeakPolarHBondContact O-CB 3.28Å; Q106-W110 PolarHBondContact O-N 3.29Å; Q106-W110 VanDerWaalsContact O-N 3.17Å
107I97.4Very high96.1Very high0 Ų039.9 Ų39.90%022%0.219CC..Hα-helixtrans-62-48.8174-61.4173.6000109.6F102 S103 E104 W110 F111 L196 L199 Y230 L234F102-I107 HydrophobicContact CB-CD1 4.05Å; F102-I107 HydrophobicContact CB-CG1 3.7Å; S103-I107 PolarHBondContact O-N 3.41Å; E104-I107 PolarHBondContact O-N 2.69Å; E104-I107 VanDerWaalsContact O-N 3.16Å; I107-W110 PolarHBondContact O-N 2.98Å; I107-F111 WeakPolarHBondContact O-CB 3.17Å; I107-F111 PolarHBondContact O-N 3.05Å; I107-L196 HydrophobicContact CG2-CD1 3.63Å; I107-L199 WeakPolarHBondContact CD1-O 3.43Å; I107-L199 HydrophobicContact CG1-CB 4.24Å; I107-L199 HydrophobicContact CG2-CB 3.95Å; I107-L199 HydrophobicContact CG2-CD1 4.26Å; I107-Y230 HydrophobicContact CD1-CD1 4.33Å; I107-Y230 HydrophobicContact CD1-CE1 3.6Å; I107-L234 HydrophobicContact CG2-CD2 4.49Å
108V96.5Very high96.2Very high8 Ų837.8 Ų37.85%0.04821%0.209CC..Hα-helixtrans-63.6-48.6-179.9166.60000112.2E104 W110 F111 I112 F260 L261 H264E104-V108 HydrophobicContact CG-CG2 4.25Å; E104-V108 WeakPolarHBondContact O-CB 3.43Å; E104-V108 WeakPolarHBondContact O-CG2 3.45Å; E104-V108 PolarHBondContact O-N 3.32Å; V108-W110 PolarHBondContact O-N 2.83Å; V108-F111 PolarHBondContact O-N 2.88Å; V108-I112 HydrophobicContact CG1-CD1 3.63Å; V108-I112 HydrophobicContact CG1-CG1 4.43Å; V108-I112 WeakPolarHBondContact O-CB 3.44Å; V108-I112 WeakPolarHBondContact O-CG1 3.5Å; V108-I112 PolarHBondContact O-N 2.88Å; V108-F260 HydrophobicContact CG2-CE2 4.43Å; V108-L261 HydrophobicContact CB-CD2 4.49Å; V108-L261 HydrophobicContact CG1-CD2 3.76Å; V108-L261 HydrophobicContact CG2-CD2 4.17Å; V108-H264 HydrophobicContact CG1-CB 4.18Å
109D94.8Very high96.3Very high38 Ų3829.2 Ų29.220%0.20318%0.178CC..Hα-helixtrans-65.3-25.2179.5-82.516.5000112.6A105 Q113 H264 H268A105-D109 WeakPolarHBondContact O-CB 3.49Å; A105-D109 PolarHBondContact O-N 3.34Å; D109-Q113 WeakPolarHBondContact O-CG 3.3Å; D109-Q113 PolarHBondContact O-NE2 2.67Å; D109-H264 IonicContact OD1-CE1 3.43Å; D109-H264 IonicContact OD1-CG 2.89Å; D109-H264 IonicContact OD1-ND1 3.1Å; D109-H264 PolarHBondContact OD1-ND1 3.35Å; D109-H268 IonicContact OD1-NE2 2.65Å
110W97.3Very high96.3Very high3 Ų327.6 Ų27.61%0.01116%0.155CC..Hα-helixtrans-81.3-46.2169.5-75.7-20000112.6L90 K93 F102 Q106 I107 V108 I112 Q113 I114 L138 G142 V145 L199L90-W110 HydrophobicContact CD1-CD2 4.36Å; L90-W110 HydrophobicContact CD1-CE3 4.01Å; L90-W110 HydrophobicContact CD1-CZ3 4.12Å; K93-W110 HydrophobicContact CD-CH2 4.45Å; K93-W110 HydrophobicContact CG-CH2 3.68Å; K93-W110 HydrophobicContact CG-CZ2 4.29Å; K93-W110 HydrophobicContact CG-CZ3 4.44Å; F102-W110 AromaticContact CD1-CH2 3.95Å; F102-W110 HydrophobicContact CD1-CH2 3.95Å; F102-W110 AromaticContact CD1-CZ3 3.69Å; F102-W110 HydrophobicContact CD1-CZ3 3.69Å; F102-W110 AromaticContact CE1-CH2 3.41Å; F102-W110 HydrophobicContact CE1-CH2 3.41Å; F102-W110 VanDerWaalsContact CE1-CH2 3.41Å; F102-W110 AromaticContact CE1-CZ3 3.39Å; F102-W110 HydrophobicContact CE1-CZ3 3.39Å; F102-W110 HydrophobicContact CE2-CZ3 4.31Å; F102-W110 HydrophobicContact CG-CZ3 4.27Å; F102-W110 HydrophobicContact CZ-CH2 4.01Å; F102-W110 AromaticContact CZ-CZ3 3.74Å; F102-W110 HydrophobicContact CZ-CZ3 3.74Å; Q106-W110 HydrophobicContact CG-CD2 4.14Å; Q106-W110 HydrophobicContact CG-CE3 4.06Å; Q106-W110 HydrophobicContact CG-CH2 3.94Å; Q106-W110 HydrophobicContact CG-CZ2 4.01Å; Q106-W110 HydrophobicContact CG-CZ3 3.97Å; Q106-W110 VanDerWaalsContact NE2-CE2 3.26Å; Q106-W110 WeakPolarHBondContact O-CB 3.28Å; Q106-W110 PolarHBondContact O-N 3.29Å; Q106-W110 VanDerWaalsContact O-N 3.17Å; I107-W110 PolarHBondContact O-N 2.98Å; V108-W110 PolarHBondContact O-N 2.83Å; W110-I112 VanDerWaalsContact C-N 3.34Å; W110-I112 PolarHBondContact O-N 3.42Å; W110-Q113 WeakPolarHBondContact O-CB 3.49Å; W110-Q113 PolarHBondContact O-N 3.48Å; W110-Q113 VanDerWaalsContact O-N 3.11Å; W110-I114 WeakPolarHBondContact O-CG1 3.41Å; W110-I114 PolarHBondContact O-N 3.41Å; W110-L138 HydrophobicContact CZ2-CD1 4.23Å; W110-L138 HydrophobicContact CZ2-CD2 4.44Å; W110-G142 PolarHBondContact NE1-O 3.23Å; W110-V145 HydrophobicContact CB-CG2 3.87Å; W110-V145 HydrophobicContact CG-CG2 3.72Å; W110-L199 HydrophobicContact CE3-CD2 3.71Å; W110-L199 HydrophobicContact CZ3-CD2 3.88Å
111F97.9Very high96.1Very high1 Ų122.3 Ų22.30%0.00413%0.128CC..Hα-helixtrans-60.8-41.2-178.3-177.9-103.9000112.1I107 V108 Q113 I114 C115 L192 L196 L237 L241 V255 L261I107-F111 WeakPolarHBondContact O-CB 3.17Å; I107-F111 PolarHBondContact O-N 3.05Å; V108-F111 PolarHBondContact O-N 2.88Å; F111-Q113 VanDerWaalsContact C-N 3.31Å; F111-Q113 PolarHBondContact O-N 2.88Å; F111-I114 WeakPolarHBondContact O-CB 3.45Å; F111-I114 PolarHBondContact O-N 3.12Å; F111-C115 WeakPolarHBondContact CE1-SG 3.43Å; F111-C115 VanDerWaalsContact CZ-SG 3.5Å; F111-C115 PolarHBondContact O-N 3.06Å; F111-C115 PolarHBondContact O-SG 3.33Å; F111-C115 VanDerWaalsContact O-SG 3.37Å; F111-L192 HydrophobicContact CD2-CD1 4.13Å; F111-L192 HydrophobicContact CE2-CD1 3.51Å; F111-L192 HydrophobicContact CE2-CD2 4.2Å; F111-L192 HydrophobicContact CE2-CG 3.73Å; F111-L192 HydrophobicContact CZ-CD1 4.25Å; F111-L192 HydrophobicContact CZ-CD2 4.14Å; F111-L192 HydrophobicContact CZ-CG 4.15Å; F111-L196 HydrophobicContact CB-CD1 4.23Å; F111-L196 HydrophobicContact CD2-CB 3.96Å; F111-L196 HydrophobicContact CD2-CD1 3.68Å; F111-L196 HydrophobicContact CD2-CD2 4.14Å; F111-L196 HydrophobicContact CD2-CG 4.13Å; F111-L196 HydrophobicContact CE1-CD2 4.32Å; F111-L196 HydrophobicContact CE2-CB 3.78Å; F111-L196 HydrophobicContact CE2-CD1 4.16Å; F111-L196 HydrophobicContact CE2-CD2 3.76Å; F111-L196 HydrophobicContact CE2-CG 4.11Å; F111-L196 HydrophobicContact CG-CD1 3.92Å; F111-L196 HydrophobicContact CZ-CD2 3.87Å; F111-L237 HydrophobicContact CE1-CD2 3.72Å; F111-L237 HydrophobicContact CZ-CD2 4.13Å; F111-L241 HydrophobicContact CE2-CD1 4.5Å; F111-L241 HydrophobicContact CZ-CD1 4.17Å; F111-V255 HydrophobicContact CE1-CG1 3.69Å; F111-V255 HydrophobicContact CZ-CG1 4.05Å; F111-L261 HydrophobicContact CD1-CD1 4.32Å; F111-L261 HydrophobicContact CE1-CD1 4.12Å
112I96.9Very high95.9Very high0 Ų020.8 Ų20.80%012%0.117CC..Hα-helixtrans-60.2-41174.5-75.4167.3000111.6V108 W110 I114 C115 L116 L261 H264 V265 H268V108-I112 HydrophobicContact CG1-CD1 3.63Å; V108-I112 HydrophobicContact CG1-CG1 4.43Å; V108-I112 WeakPolarHBondContact O-CB 3.44Å; V108-I112 WeakPolarHBondContact O-CG1 3.5Å; V108-I112 PolarHBondContact O-N 2.88Å; W110-I112 VanDerWaalsContact C-N 3.34Å; W110-I112 PolarHBondContact O-N 3.42Å; I112-I114 VanDerWaalsContact C-N 3.35Å; I112-C115 PolarHBondContact O-N 2.91Å; I112-L116 HydrophobicContact CG2-CD1 3.86Å; I112-L116 HydrophobicContact CG2-CG 4.3Å; I112-L116 WeakPolarHBondContact O-CB 3.32Å; I112-L116 VanDerWaalsContact O-CG 3.26Å; I112-L116 WeakPolarHBondContact O-CG 3.49Å; I112-L116 PolarHBondContact O-N 3.14Å; I112-L261 HydrophobicContact CD1-CB 4.15Å; I112-L261 HydrophobicContact CD1-CD2 4.05Å; I112-L261 WeakPolarHBondContact CD1-O 3.42Å; I112-L261 HydrophobicContact CG1-CB 4.35Å; I112-L261 HydrophobicContact CG1-CD2 4.11Å; I112-H264 HydrophobicContact CD1-CB 3.3Å; I112-V265 HydrophobicContact CD1-CG2 4.11Å; I112-V265 HydrophobicContact CG1-CG2 4.15Å; I112-V265 HydrophobicContact CG2-CG2 3.84Å; I112-H268 HydrophobicContact CG2-CB 4.42Å
113Q96.6Very high95.7Very high4 Ų424.1 Ų24.12%0.01914%0.135CC..Hα-helixtrans-65.9-38.2176.8-72-178.380.600112.1N64 D109 W110 F111 G117 M143 V145 H268N64-Q113 WeakPolarHBondContact CB-O 3.42Å; N64-Q113 WeakPolarHBondContact ND2-CB 3.45Å; N64-Q113 PolarHBondContact ND2-OE1 2.73Å; N64-Q113 VanDerWaalsContact ND2-OE1 3.14Å; D109-Q113 WeakPolarHBondContact O-CG 3.3Å; D109-Q113 PolarHBondContact O-NE2 2.67Å; W110-Q113 WeakPolarHBondContact O-CB 3.49Å; W110-Q113 PolarHBondContact O-N 3.48Å; W110-Q113 VanDerWaalsContact O-N 3.11Å; F111-Q113 VanDerWaalsContact C-N 3.31Å; F111-Q113 PolarHBondContact O-N 2.88Å; Q113-G117 PolarHBondContact O-N 2.87Å; Q113-M143 PolarHBondContact NE2-O 3.31Å; Q113-V145 HydrophobicContact CB-CB 3.83Å; Q113-V145 HydrophobicContact CB-CG2 4.04Å; Q113-H268 PolarHBondContact NE2-CE1 2.88Å
114I97.8Very high95.3Very high2 Ų226 Ų261%0.0113%0.13CC..Hα-helixtrans-62.8-46.8173-65.2165.2000110.1L90 W110 F111 I112 G117 L118 I136 V145 L147 L192 V195L90-I114 HydrophobicContact CD2-CD1 4.24Å; W110-I114 WeakPolarHBondContact O-CG1 3.41Å; W110-I114 PolarHBondContact O-N 3.41Å; F111-I114 WeakPolarHBondContact O-CB 3.45Å; F111-I114 PolarHBondContact O-N 3.12Å; I112-I114 VanDerWaalsContact C-N 3.35Å; I114-G117 PolarHBondContact O-N 2.98Å; I114-L118 WeakPolarHBondContact O-CB 3.45Å; I114-L118 PolarHBondContact O-N 2.88Å; I114-I136 HydrophobicContact CD1-CD1 4.16Å; I114-I136 HydrophobicContact CD1-CG2 3.97Å; I114-I136 HydrophobicContact CG1-CD1 4.46Å; I114-I136 HydrophobicContact CG1-CG2 4Å; I114-I136 HydrophobicContact CG2-CD1 4.34Å; I114-V145 HydrophobicContact CD1-CG1 4.3Å; I114-V145 HydrophobicContact CG1-CG1 3.73Å; I114-L147 HydrophobicContact CG2-CD2 4.08Å; I114-L192 HydrophobicContact CG2-CD1 3.48Å; I114-L192 VanDerWaalsContact CG2-CD1 3.48Å; I114-V195 HydrophobicContact CD1-CG1 4.1Å
115C97.6Very high94.9Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-65.6-39.5177.6-69.50000113.5F111 I112 G117 L118 K119 V252 L256F111-C115 WeakPolarHBondContact CE1-SG 3.43Å; F111-C115 VanDerWaalsContact CZ-SG 3.5Å; F111-C115 PolarHBondContact O-N 3.06Å; F111-C115 PolarHBondContact O-SG 3.33Å; F111-C115 VanDerWaalsContact O-SG 3.37Å; I112-C115 PolarHBondContact O-N 2.91Å; C115-G117 VanDerWaalsContact C-N 3.34Å; C115-L118 PolarHBondContact O-N 2.83Å; C115-K119 VanDerWaalsContact O-CB 3.3Å; C115-K119 WeakPolarHBondContact O-CB 3.49Å; C115-K119 PolarHBondContact O-N 3.26Å; C115-V252 HydrophobicContact CB-CG2 3.91Å; C115-V252 WeakPolarHBondContact O-CG2 3.31Å; C115-L256 HydrophobicContact CB-CD1 4.21Å; C115-L256 HydrophobicContact CB-CD2 3.71Å; C115-L256 HydrophobicContact CB-CG 3.9Å
116L96.2Very high94.5Very high23 Ų2325.6 Ų25.612%0.1212%0.118CC..Hα-helixtrans-63.8-41.3173.9-71.7169.3000110.9H62 I112 H120 L256 H268H62-L116 VanDerWaalsContact CE1-C 3.45Å; H62-L116 PolarHBondContact CE1-O 3.39Å; I112-L116 HydrophobicContact CG2-CD1 3.86Å; I112-L116 HydrophobicContact CG2-CG 4.3Å; I112-L116 WeakPolarHBondContact O-CB 3.32Å; I112-L116 VanDerWaalsContact O-CG 3.26Å; I112-L116 WeakPolarHBondContact O-CG 3.49Å; I112-L116 PolarHBondContact O-N 3.14Å; L116-H120 PolarHBondContact O-N 2.61Å; L116-L256 HydrophobicContact CD2-CD1 4.21Å; L116-L256 HydrophobicContact CD2-CD2 4.3Å; L116-L256 HydrophobicContact CG-CD2 4.3Å; L116-H268 HydrophobicContact CD1-CB 4.06Å
117G95.4Very high94.1Very high0 Ų023.8 Ų23.80%011%0.11CC..Hα-helixtrans-56.8-51.917000000112.1Q113 I114 C115 H120 I121Q113-G117 PolarHBondContact O-N 2.87Å; I114-G117 PolarHBondContact O-N 2.98Å; C115-G117 VanDerWaalsContact C-N 3.34Å; G117-H120 WeakPolarHBondContact O-CB 2.98Å; G117-H120 PolarHBondContact O-N 3.08Å; G117-I121 WeakPolarHBondContact O-CG1 3.42Å
118L96Very high93.7Very high0 Ų023.9 Ų23.90%011%0.11CC..Hα-helixtrans-66.6-39.6-177.4-177.459.9000112.6I114 C115 H120 I121 H122 H128 I131 L147 D188 I189 L192 V252I114-L118 WeakPolarHBondContact O-CB 3.45Å; I114-L118 PolarHBondContact O-N 2.88Å; C115-L118 PolarHBondContact O-N 2.83Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 3.04Å; L118-I121 HydrophobicContact CD1-CD1 4.09Å; L118-I121 WeakPolarHBondContact O-CA 3.46Å; L118-I121 VanDerWaalsContact O-CB 3.3Å; L118-I121 WeakPolarHBondContact O-CB 3.47Å; L118-I121 PolarHBondContact O-N 3.36Å; L118-H122 WeakPolarHBondContact CD1-NE2 3.49Å; L118-H122 PolarHBondContact O-N 2.81Å; L118-H128 HydrophobicContact CD1-CB 4.26Å; L118-I131 HydrophobicContact CD1-CD1 3.71Å; L118-I131 HydrophobicContact CD2-CD1 3.91Å; L118-I131 HydrophobicContact CG-CD1 4.42Å; L118-L147 HydrophobicContact CB-CD1 4.15Å; L118-D188 HydrophobicContact CD1-CB 4.28Å; L118-D188 HydrophobicContact CD2-CB 4.49Å; L118-I189 HydrophobicContact CD2-CD1 4.21Å; L118-L192 HydrophobicContact CD2-CD2 3.99Å; L118-V252 HydrophobicContact CB-CG2 4.21Å; L118-V252 HydrophobicContact CD2-CB 4.39Å; L118-V252 HydrophobicContact CD2-CG2 4.27Å; L118-V252 HydrophobicContact CG-CG2 4.33Å
119K95.5Very high93.2Very high58 Ų5825.4 Ų25.425%0.25212%0.115SC..Hα-helixtrans-57.3-42.9175.3177.7165.4172.557.80111.7C115 I121 H122 D123 V252 S253 L256C115-K119 VanDerWaalsContact O-CB 3.3Å; C115-K119 WeakPolarHBondContact O-CB 3.49Å; C115-K119 PolarHBondContact O-N 3.26Å; K119-I121 PolarHBondContact O-N 2.79Å; K119-I121 VanDerWaalsContact O-N 3.1Å; K119-H122 PolarHBondContact O-N 3.28Å; K119-D123 WeakPolarHBondContact CE-OD2 3.48Å; K119-D123 WeakPolarHBondContact CG-OD1 3.21Å; K119-D123 VanDerWaalsContact CG-OD2 3.25Å; K119-D123 WeakPolarHBondContact CG-OD2 2.95Å; K119-D123 IonicContact NZ-OD1 3.7Å; K119-D123 PolarHBondContact NZ-OD1 2.97Å; K119-D123 IonicContact NZ-OD2 2.74Å; K119-D123 PolarHBondContact NZ-OD2 2.81Å; K119-D123 VanDerWaalsContact O-CB 3.23Å; K119-D123 WeakPolarHBondContact O-CB 3.35Å; K119-D123 PolarHBondContact O-N 3.31Å; K119-V252 HydrophobicContact CB-CG1 3.94Å; K119-V252 HydrophobicContact CB-CG2 4.22Å; K119-V252 HydrophobicContact CG-CG1 4.48Å; K119-S253 PolarHBondContact NZ-OG 3.45Å; K119-L256 HydrophobicContact CB-CD1 4.05Å; K119-L256 HydrophobicContact CD-CD1 3.8Å
120H93.7Very high92.8Very high25 Ų2525 Ų2512%0.11611%0.113CC..Hα-helixtrans-58.1-26.5176.5-173.199.8000113.6K61 H62 I65 L116 G117 L118 R124K61-H120 PolarHBondContact O-CE1 3.36Å; H62-H120 HydrophobicContact CB-CB 4.2Å; H62-H120 AromaticContact CD2-CG 3.96Å; H62-H120 AromaticContact CD2-ND1 3.56Å; H62-H120 AromaticContact CG-CG 3.92Å; H62-H120 AromaticContact CG-ND1 3.85Å; I65-H120 HydrophobicContact CD1-CB 4.4Å; L116-H120 PolarHBondContact O-N 2.61Å; G117-H120 WeakPolarHBondContact O-CB 2.98Å; G117-H120 PolarHBondContact O-N 3.08Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 3.04Å; H120-R124 VanDerWaalsContact CE1-CZ 3.48Å; H120-R124 PolarHBondContact CE1-NH1 2.88Å; H120-R124 PolarHBondContact ND1-NH1 2.84Å; H120-R124 PolarHBondContact NE2-NH1 3.22Å; H120-R124 WeakPolarHBondContact O-CD 3.02Å; H120-R124 PolarHBondContact O-NH1 3.05Å
121I91.8Very high92.6Very high0 Ų025 Ų250%011%0.114CC..Hα-helixtrans-82.7-52.3177.6-48.7170.4000110.3I65 G117 L118 K119 D123 R124 I126 H128 L147 F150I65-I121 HydrophobicContact CD1-CG1 4.26Å; G117-I121 WeakPolarHBondContact O-CG1 3.42Å; L118-I121 HydrophobicContact CD1-CD1 4.09Å; L118-I121 WeakPolarHBondContact O-CA 3.46Å; L118-I121 VanDerWaalsContact O-CB 3.3Å; L118-I121 WeakPolarHBondContact O-CB 3.47Å; L118-I121 PolarHBondContact O-N 3.36Å; K119-I121 PolarHBondContact O-N 2.79Å; K119-I121 VanDerWaalsContact O-N 3.1Å; I121-D123 PolarHBondContact O-N 3.31Å; I121-R124 WeakPolarHBondContact O-CB 3.34Å; I121-R124 PolarHBondContact O-N 2.85Å; I121-I126 HydrophobicContact CG2-CB 3.58Å; I121-I126 HydrophobicContact CG2-CG2 3.5Å; I121-I126 PolarHBondContact O-N 3.27Å; I121-I126 VanDerWaalsContact O-N 3.17Å; I121-H128 HydrophobicContact CD1-CB 4.06Å; I121-L147 HydrophobicContact CD1-CD1 3.89Å; I121-F150 HydrophobicContact CD1-CD1 3.98Å; I121-F150 HydrophobicContact CD1-CE1 3.5Å; I121-F150 VanDerWaalsContact CD1-CE1 3.5Å; I121-F150 HydrophobicContact CG1-CE1 3.87Å
122H92.8Very high92.3Very high19 Ų1926.7 Ų26.79%0.08812%0.121CC..Hα-helixtrans-65.7-36.2-177.5-73.2-173.2000112.3L118 K119 R124 K125 I126 N185 D188 V252L118-H122 WeakPolarHBondContact CD1-NE2 3.49Å; L118-H122 PolarHBondContact O-N 2.81Å; K119-H122 PolarHBondContact O-N 3.28Å; H122-R124 PolarHBondContact O-N 2.83Å; H122-R124 VanDerWaalsContact O-N 3.11Å; H122-K125 WeakPolarHBondContact O-CA 3.15Å; H122-K125 PolarHBondContact O-N 2.8Å; H122-I126 PolarHBondContact CD2-O 3.33Å; H122-N185 PolarHBondContact CE1-O 3.37Å; H122-D188 IonicContact CD2-OD2 3.17Å; H122-D188 IonicContact CE1-OD2 3.25Å; H122-D188 IonicContact NE2-OD2 2.74Å; H122-D188 PolarHBondContact NE2-OD2 2.86Å; H122-V252 HydrophobicContact CB-CG1 4.15Å
123D92.2Very high92.2Very high85 Ų8526.7 Ų26.746%0.45512%0.121SC..THydrogen-bonded Turntrans-61.3-18.3173-70.3-2.9000113.1K119 I121K119-D123 WeakPolarHBondContact CE-OD2 3.48Å; K119-D123 WeakPolarHBondContact CG-OD1 3.21Å; K119-D123 VanDerWaalsContact CG-OD2 3.25Å; K119-D123 WeakPolarHBondContact CG-OD2 2.95Å; K119-D123 IonicContact NZ-OD1 3.7Å; K119-D123 PolarHBondContact NZ-OD1 2.97Å; K119-D123 IonicContact NZ-OD2 2.74Å; K119-D123 PolarHBondContact NZ-OD2 2.81Å; K119-D123 VanDerWaalsContact O-CB 3.23Å; K119-D123 WeakPolarHBondContact O-CB 3.35Å; K119-D123 PolarHBondContact O-N 3.31Å; I121-D123 PolarHBondContact O-N 3.31Å
124R89.4Confident92Very high118 Ų11831.1 Ų31.145%0.44514%0.141SC..THydrogen-bonded Turntrans-101.111.9175-70.7171.2175.860.312.1112.7H120 I121 H122 I126H120-R124 VanDerWaalsContact CE1-CZ 3.48Å; H120-R124 PolarHBondContact CE1-NH1 2.88Å; H120-R124 PolarHBondContact ND1-NH1 2.84Å; H120-R124 PolarHBondContact NE2-NH1 3.22Å; H120-R124 WeakPolarHBondContact O-CD 3.02Å; H120-R124 PolarHBondContact O-NH1 3.05Å; I121-R124 WeakPolarHBondContact O-CB 3.34Å; I121-R124 PolarHBondContact O-N 2.85Å; H122-R124 PolarHBondContact O-N 2.83Å; H122-R124 VanDerWaalsContact O-N 3.11Å; R124-I126 HydrophobicContact CB-CD1 3.71Å; R124-I126 HydrophobicContact CB-CG1 4.22Å; R124-I126 PolarHBondContact O-N 3.37Å
125K88.3Confident91.7Very high76 Ų7631.6 Ų31.633%0.3314%0.144SC..THydrogen-bonded Turntrans54.431.4-175.1-49.4-69.1-178.4174.30112.8H122 N742 F743H122-K125 WeakPolarHBondContact O-CA 3.15Å; H122-K125 PolarHBondContact O-N 2.8Å; K125-N742 WeakPolarHBondContact CE-OD1 3.49Å; K125-N742 PolarHBondContact NZ-OD1 3.23Å; K125-F743 HydrophobicContact CB-CD2 4.08Å; K125-F743 HydrophobicContact CB-CE2 4.03Å; K125-F743 HydrophobicContact CD-CB 4.48Å; K125-F743 HydrophobicContact CD-CD2 3.81Å; K125-F743 HydrophobicContact CG-CD2 4.5Å; K125-F743 WeakPolarHBondContact O-CE2 3.48Å
126I86.3Confident91.7Very high25 Ų2531.7 Ų31.713%0.12814%0.144CC..  trans-99.2153.2174.6-62.3156.8000109.2L56 M60 I121 H122 R124L56-I126 HydrophobicContact CD1-CD1 3.98Å; L56-I126 HydrophobicContact CD1-CG1 4.14Å; L56-I126 HydrophobicContact CD2-CD1 3.94Å; L56-I126 HydrophobicContact CD2-CG2 4.36Å; L56-I126 HydrophobicContact CG-CD1 4.07Å; M60-I126 HydrophobicContact CE-CD1 3.63Å; M60-I126 HydrophobicContact SD-CD1 3.87Å; I121-I126 HydrophobicContact CG2-CB 3.58Å; I121-I126 HydrophobicContact CG2-CG2 3.5Å; I121-I126 PolarHBondContact O-N 3.27Å; I121-I126 VanDerWaalsContact O-N 3.17Å; H122-I126 PolarHBondContact CD2-O 3.33Å; R124-I126 HydrophobicContact CB-CD1 3.71Å; R124-I126 HydrophobicContact CB-CG1 4.22Å; R124-I126 PolarHBondContact O-N 3.37Å
127L86.6Confident91.6Very high15 Ų1532.6 Ų32.68%0.07915%0.148CC..  trans-114.7135176.2-59.3173.2000109.9R129 Y183 N185 F743L127-R129 HydrophobicContact CB-CG 3.97Å; L127-Y183 HydrophobicContact CD1-CD1 4.21Å; L127-Y183 WeakPolarHBondContact CD1-O 3.31Å; L127-N185 VanDerWaalsContact CD2-CA 3.46Å; L127-N185 HydrophobicContact CD2-CB 3.92Å; L127-N185 VanDerWaalsContact CD2-N 3.33Å; L127-F743 HydrophobicContact CD1-CZ 4.1Å; L127-F743 HydrophobicContact CD2-CE2 4.29Å; L127-F743 HydrophobicContact CD2-CZ 4.11Å; L127-F743 HydrophobicContact CG-CZ 4.11Å
128H88.3Confident91.6Very high2 Ų232.7 Ų32.71%0.00915%0.148CC..  trans-78.7-36-176.2-173.5-81.9000112.6L118 I121 D130 I131 G148 F150 G151 D188L118-H128 HydrophobicContact CD1-CB 4.26Å; I121-H128 HydrophobicContact CD1-CB 4.06Å; H128-D130 PolarHBondContact CE1-O 2.86Å; H128-D130 PolarHBondContact O-N 2.68Å; H128-I131 HydrophobicContact CB-CD1 4.06Å; H128-I131 HydrophobicContact CB-CG1 3.79Å; H128-I131 VanDerWaalsContact ND1-CG1 3.27Å; H128-I131 WeakPolarHBondContact ND1-CG1 3.25Å; H128-I131 PolarHBondContact ND1-N 3.46Å; H128-G148 PolarHBondContact CE1-O 3.27Å; H128-G148 PolarHBondContact NE2-O 2.99Å; H128-F150 AromaticContact CD2-CD1 3.48Å; H128-F150 VanDerWaalsContact CD2-CD1 3.48Å; H128-F150 WeakPolarHBondContact CD2-CD1 3.25Å; H128-F150 AromaticContact CD2-CE1 3.88Å; H128-F150 AromaticContact NE2-CD1 3.98Å; H128-G151 WeakPolarHBondContact O-CA 3.36Å; H128-G151 PolarHBondContact O-N 3.39Å; H128-D188 WeakPolarHBondContact CB-OD1 3.49Å; H128-D188 PolarHBondContact N-OD1 3.07Å; H128-D188 PolarHBondContact N-OD2 2.91Å
129R86.4Confident91.5Very high39 Ų3933.1 Ų33.115%0.14715%0.151CC..  trans64.2-13.8169.8-60.7174.3178.7-102.81.1117.6L127 Y183 D188L127-R129 HydrophobicContact CB-CG 3.97Å; R129-Y183 WeakPolarHBondContact CA-OH 3.47Å; R129-Y183 HydrophobicContact CB-CE1 4.48Å; R129-Y183 HydrophobicContact CB-CE2 4.43Å; R129-Y183 HydrophobicContact CG-CD1 4.02Å; R129-Y183 HydrophobicContact CG-CD2 4.47Å; R129-Y183 HydrophobicContact CG-CE1 3.93Å; R129-Y183 HydrophobicContact CG-CE2 4.41Å; R129-Y183 HydrophobicContact CG-CG 4.32Å; R129-D188 PolarHBondContact N-OD1 3.05Å
130D85.8Confident91.1Very high30 Ų3033.3 Ų33.316%0.1616%0.159CC..  trans-137.444.1177-155.729.1000112.2H128 K132 N135 R154H128-D130 PolarHBondContact CE1-O 2.86Å; H128-D130 PolarHBondContact O-N 2.68Å; D130-K132 PolarHBondContact O-N 3.01Å; D130-K132 WeakPolarHBondContact OD1-CE 3.31Å; D130-K132 IonicContact OD1-NZ 3.29Å; D130-K132 PolarHBondContact OD1-NZ 3.37Å; D130-K132 WeakPolarHBondContact OD2-CE 3.32Å; D130-K132 IonicContact OD2-NZ 2.68Å; D130-K132 PolarHBondContact OD2-NZ 3.17Å; D130-N135 PolarHBondContact O-ND2 3.21Å; D130-N135 PolarHBondContact OD2-ND2 3.45Å; D130-R154 IonicContact OD1-CZ 3.64Å; D130-R154 IonicContact OD1-NH1 3.95Å; D130-R154 PolarHBondContact OD1-NH1 2.94Å; D130-R154 IonicContact OD2-NH1 3.13Å; D130-R154 PolarHBondContact OD2-NH1 3.1Å
131I92.6Very high90.5Very high4 Ų435.5 Ų35.52%0.02119%0.188CC..  trans-71.9115.7173.3-59.9-179.4000108.9L118 H128 I136 Y172 D188 S191 V195L118-I131 HydrophobicContact CD1-CD1 3.71Å; L118-I131 HydrophobicContact CD2-CD1 3.91Å; L118-I131 HydrophobicContact CG-CD1 4.42Å; H128-I131 HydrophobicContact CB-CD1 4.06Å; H128-I131 HydrophobicContact CB-CG1 3.79Å; H128-I131 VanDerWaalsContact ND1-CG1 3.27Å; H128-I131 WeakPolarHBondContact ND1-CG1 3.25Å; H128-I131 PolarHBondContact ND1-N 3.46Å; I131-I136 HydrophobicContact CG2-CD1 4.44Å; I131-Y172 WeakPolarHBondContact O-CD1 3.47Å; I131-D188 HydrophobicContact CD1-CB 3.63Å; I131-S191 WeakPolarHBondContact O-CB 3.41Å; I131-V195 HydrophobicContact CG2-CG2 4.14Å
132K92.6Very high90.2Very high35 Ų3535.8 Ų35.815%0.15219%0.191CC..SBendtrans-161.4157.5176.957.5-172.7178.6-147.70110.4D130 Q134 N135 I136 Y172D130-K132 PolarHBondContact O-N 3.01Å; D130-K132 WeakPolarHBondContact OD1-CE 3.31Å; D130-K132 IonicContact OD1-NZ 3.29Å; D130-K132 PolarHBondContact OD1-NZ 3.37Å; D130-K132 WeakPolarHBondContact OD2-CE 3.32Å; D130-K132 IonicContact OD2-NZ 2.68Å; D130-K132 PolarHBondContact OD2-NZ 3.17Å; K132-Q134 HydrophobicContact CD-CB 4.24Å; K132-Q134 HydrophobicContact CG-CB 4.13Å; K132-Q134 PolarHBondContact O-N 2.79Å; K132-N135 WeakPolarHBondContact CE-OD1 3.35Å; K132-N135 HydrophobicContact CG-CB 4.07Å; K132-N135 PolarHBondContact O-N 3.05Å; K132-I136 WeakPolarHBondContact O-CG1 3.35Å; K132-I136 PolarHBondContact O-N 3.01Å; K132-Y172 HydrophobicContact CB-CD1 3.99Å; K132-Y172 HydrophobicContact CB-CD2 3.7Å; K132-Y172 HydrophobicContact CB-CE1 3.73Å; K132-Y172 HydrophobicContact CB-CE2 3.39Å; K132-Y172 HydrophobicContact CB-CG 3.98Å; K132-Y172 VanDerWaalsContact CB-CZ 3.4Å
133S94.6Very high89.9Confident0 Ų040.6 Ų40.60%022%0.215CC..THydrogen-bonded Turntrans-60.5-19.6-178.658.30000113.9L90 L91 Y172 E198L90-S133 WeakPolarHBondContact CB-O 3.5Å; L90-S133 PolarHBondContact N-O 3.45Å; L90-S133 VanDerWaalsContact N-O 3.11Å; L91-S133 WeakPolarHBondContact CB-OG 3.24Å; L91-S133 PolarHBondContact N-O 3.49Å; S133-Y172 PolarHBondContact N-OH 3.08Å; S133-Y172 PolarHBondContact OG-OH 3.43Å; S133-E198 VanDerWaalsContact CB-OE1 3.23Å; S133-E198 WeakPolarHBondContact CB-OE1 3.49Å; S133-E198 PolarHBondContact OG-OE1 2.92Å
134Q91.6Very high89.9Confident98 Ų9841.2 Ų41.246%0.45821%0.214SC..THydrogen-bonded Turntrans-73.6-29.5172.8-62.8175-13.100114.5D89 L91 K132D89-Q134 WeakPolarHBondContact CB-O 3.3Å; L91-Q134 HydrophobicContact CB-CG 4.11Å; L91-Q134 HydrophobicContact CD2-CG 3.5Å; L91-Q134 HydrophobicContact CG-CG 4.45Å; K132-Q134 HydrophobicContact CD-CB 4.24Å; K132-Q134 HydrophobicContact CG-CB 4.13Å; K132-Q134 PolarHBondContact O-N 2.79Å
135N92.6Very high90.3Very high12 Ų1235.6 Ų35.66%0.06419%0.193CC..SBendtrans-98.14.9-178.1-73.518.9000112.4D130 K132 F137 G148 D149D130-N135 PolarHBondContact O-ND2 3.21Å; D130-N135 PolarHBondContact OD2-ND2 3.45Å; K132-N135 WeakPolarHBondContact CE-OD1 3.35Å; K132-N135 HydrophobicContact CG-CB 4.07Å; K132-N135 PolarHBondContact O-N 3.05Å; N135-F137 WeakPolarHBondContact O-CD2 3.16Å; N135-F137 VanDerWaalsContact O-CE2 3.28Å; N135-F137 WeakPolarHBondContact O-CE2 3.2Å; N135-G148 PolarHBondContact O-N 3.09Å; N135-D149 HydrophobicContact CB-CB 4.39Å; N135-D149 WeakPolarHBondContact ND2-CB 3.28Å; N135-D149 PolarHBondContact ND2-O 3.06Å
136I96.2Very high90.6Very high1 Ų132.8 Ų32.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-109.2111.6-179-63.5174.3000107.1D89 L90 I114 I131 K132 V145 L147 V195D89-I136 CarbonylContact C-O 3.45Å; D89-I136 WeakPolarHBondContact CA-O 3.39Å; L90-I136 HydrophobicContact CB-CB 4.17Å; L90-I136 HydrophobicContact CB-CG2 4.2Å; L90-I136 WeakPolarHBondContact CB-O 3.37Å; L90-I136 HydrophobicContact CD2-CB 4.36Å; L90-I136 HydrophobicContact CD2-CG2 3.93Å; L90-I136 PolarHBondContact N-O 2.72Å; I114-I136 HydrophobicContact CD1-CD1 4.16Å; I114-I136 HydrophobicContact CD1-CG2 3.97Å; I114-I136 HydrophobicContact CG1-CD1 4.46Å; I114-I136 HydrophobicContact CG1-CG2 4Å; I114-I136 HydrophobicContact CG2-CD1 4.34Å; I131-I136 HydrophobicContact CG2-CD1 4.44Å; K132-I136 WeakPolarHBondContact O-CG1 3.35Å; K132-I136 PolarHBondContact O-N 3.01Å; I136-V145 HydrophobicContact CG2-CG1 3.32Å; I136-L147 HydrophobicContact CD1-CD2 4.23Å; I136-L147 HydrophobicContact CG1-CD2 3.84Å; I136-V195 HydrophobicContact CD1-CB 4.34Å; I136-V195 HydrophobicContact CD1-CG1 3.73Å; I136-V195 HydrophobicContact CD1-CG2 3.82Å
137F95.8Very high91Very high43 Ų4331.7 Ų31.719%0.18918%0.175CC..EExtended strand (participates in β ladder)trans-105.1148.2-169.2-58.8-80.2000112V66 C85 G88 D89 N135 V145 K146V66-F137 HydrophobicContact CG2-CD2 3.78Å; V66-F137 HydrophobicContact CG2-CE2 4.48Å; C85-F137 HydrophobicContact CB-CB 3.61Å; C85-F137 HydrophobicContact CB-CG 4.29Å; G88-F137 CarbonylContact O-C 3.56Å; G88-F137 WeakPolarHBondContact O-CA 3.39Å; D89-F137 HydrophobicContact CB-CD1 4.14Å; D89-F137 HydrophobicContact CB-CE1 4.16Å; N135-F137 WeakPolarHBondContact O-CD2 3.16Å; N135-F137 VanDerWaalsContact O-CE2 3.28Å; N135-F137 WeakPolarHBondContact O-CE2 3.2Å; F137-V145 CarbonylContact O-C 3.59Å; F137-V145 WeakPolarHBondContact O-CA 3.43Å; F137-K146 PolarHBondContact N-O 3.4Å; F137-K146 PolarHBondContact O-N 3.22Å
138L95.5Very high91.1Very high1 Ų131 Ų311%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-107143.2179-66.5-179.6000110.3G87 G88 L90 K93 W110 K144 V145G87-L138 WeakPolarHBondContact CA-O 3.45Å; G87-L138 PolarHBondContact N-O 3.18Å; G88-L138 PolarHBondContact O-N 3.44Å; L90-L138 HydrophobicContact CD1-CD1 4.19Å; L90-L138 HydrophobicContact CD1-CD2 4.2Å; L90-L138 HydrophobicContact CD1-CG 4.37Å; K93-L138 HydrophobicContact CB-CD1 3.72Å; K93-L138 HydrophobicContact CD-CD1 4.06Å; K93-L138 HydrophobicContact CG-CD1 3.63Å; W110-L138 HydrophobicContact CZ2-CD1 4.23Å; W110-L138 HydrophobicContact CZ2-CD2 4.44Å; L138-K144 CarbonylContact C-O 3.6Å; L138-K144 WeakPolarHBondContact CA-O 3.49Å; L138-V145 HydrophobicContact CD2-CG1 4.44Å; L138-V145 HydrophobicContact CD2-CG2 3.91Å
139T92.4Very high90.4Very high10 Ų1033.1 Ų33.16%0.06118%0.183CC..EExtended strand (participates in β ladder)trans-140.6168177.358.80000112C85 D86 G141 G142 M143 K144 K146C85-T139 HydrophobicContact CB-CG2 3.57Å; C85-T139 VanDerWaalsContact SG-CG2 3.57Å; D86-T139 WeakPolarHBondContact OD1-CA 3.06Å; D86-T139 VanDerWaalsContact OD1-CB 3.31Å; D86-T139 WeakPolarHBondContact OD1-CB 3.4Å; T139-G141 PolarHBondContact O-N 3.13Å; T139-G142 PolarHBondContact O-N 2.88Å; T139-G142 VanDerWaalsContact O-N 3.13Å; T139-M143 PolarHBondContact O-N 2.95Å; T139-K144 PolarHBondContact N-O 3.27Å; T139-K144 PolarHBondContact O-N 2.99Å; T139-K144 VanDerWaalsContact OG1-CB 3.23Å; T139-K144 WeakPolarHBondContact OG1-CB 3.42Å; T139-K144 PolarHBondContact OG1-O 2.7Å; T139-K146 HydrophobicContact CG2-CD 4.06Å
140S87.1Confident89.6Confident62 Ų6231.8 Ų31.843%0.43418%0.178SC..G310 helixtrans56.553.6175.9-52.20000111.6D86 G142 M143D86-S140 PolarHBondContact OD1-N 3.29Å; D86-S140 PolarHBondContact OD2-N 3.03Å; S140-G142 PolarHBondContact O-N 2.71Å; S140-M143 PolarHBondContact O-N 3.14Å
141G82.5Confident88.4Confident70 Ų7030.6 Ų30.672%0.72217%0.173SC*.G310 helixtrans70.58.2-178.300000115.5T139T139-G141 PolarHBondContact O-N 3.13Å
142G85.4Confident86.5Confident6 Ų631.3 Ų31.36%0.06218%0.176CC..G310 helixtrans104.6-1.7-178.800000115.1W110 T139 S140W110-G142 PolarHBondContact NE1-O 3.23Å; T139-G142 PolarHBondContact O-N 2.88Å; T139-G142 VanDerWaalsContact O-N 3.13Å; S140-G142 PolarHBondContact O-N 2.71Å
143M86.2Confident84.3Confident120 Ų12031.3 Ų31.359%0.59118%0.183SC*.THydrogen-bonded Turntrans-78.6-27-177-61.8-54.5-59.200113.8Q113 T139 S140Q113-M143 PolarHBondContact NE2-O 3.31Å; T139-M143 PolarHBondContact O-N 2.95Å; S140-M143 PolarHBondContact O-N 3.14Å
144K92.9Very high82.3Confident98 Ų9833.3 Ų33.343%0.42619%0.191SC..EExtended strand (participates in β ladder)trans-110.6130.1-177.1-74.6-178.9-170.8165.50111.3L138 T139L138-K144 CarbonylContact C-O 3.6Å; L138-K144 WeakPolarHBondContact CA-O 3.49Å; T139-K144 PolarHBondContact N-O 3.27Å; T139-K144 PolarHBondContact O-N 2.99Å; T139-K144 VanDerWaalsContact OG1-CB 3.23Å; T139-K144 WeakPolarHBondContact OG1-CB 3.42Å; T139-K144 PolarHBondContact OG1-O 2.7Å
145V96.1Very high80Confident1 Ų133.5 Ų33.51%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-104.2142.4177.4-164.70000110.9N64 W110 Q113 I114 I136 F137 L138N64-V145 WeakPolarHBondContact CA-O 3.49Å; N64-V145 WeakPolarHBondContact CB-O 3.44Å; N64-V145 PolarHBondContact ND2-O 3.39Å; W110-V145 HydrophobicContact CB-CG2 3.87Å; W110-V145 HydrophobicContact CG-CG2 3.72Å; Q113-V145 HydrophobicContact CB-CB 3.83Å; Q113-V145 HydrophobicContact CB-CG2 4.04Å; I114-V145 HydrophobicContact CD1-CG1 4.3Å; I114-V145 HydrophobicContact CG1-CG1 3.73Å; I136-V145 HydrophobicContact CG2-CG1 3.32Å; F137-V145 CarbonylContact O-C 3.59Å; F137-V145 WeakPolarHBondContact O-CA 3.43Å; L138-V145 HydrophobicContact CD2-CG1 4.44Å; L138-V145 HydrophobicContact CD2-CG2 3.91Å
146K95.6Very high77.3Confident17 Ų1737.2 Ų37.27%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-134.1128.1176.6-73.2174.7170.2-72.60111.6P63 N64 I65 V66 E83 F137 T139P63-K146 PolarHBondContact O-NZ 3.38Å; N64-K146 WeakPolarHBondContact O-CA 3.48Å; I65-K146 PolarHBondContact O-NZ 3.17Å; V66-K146 HydrophobicContact CG2-CB 3.84Å; E83-K146 VanDerWaalsContact CD-CE 3.42Å; E83-K146 WeakPolarHBondContact OE1-CE 3.42Å; E83-K146 IonicContact OE1-NZ 3.34Å; E83-K146 PolarHBondContact OE1-NZ 2.8Å; E83-K146 VanDerWaalsContact OE2-CE 3.23Å; E83-K146 WeakPolarHBondContact OE2-CE 3.49Å; E83-K146 IonicContact OE2-NZ 3.83Å; E83-K146 PolarHBondContact OE2-NZ 3.48Å; F137-K146 PolarHBondContact N-O 3.4Å; F137-K146 PolarHBondContact O-N 3.22Å; T139-K146 HydrophobicContact CG2-CD 4.06Å
147L94.3Very high74.9Confident2 Ų239.1 Ų39.11%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-72127.9164.9-65.1-175.6000109.9N64 I65 V66 I114 L118 I121 I136N64-L147 PolarHBondContact O-N 2.94Å; I65-L147 CarbonylContact C-O 3.58Å; I65-L147 WeakPolarHBondContact CA-O 3.38Å; V66-L147 PolarHBondContact N-O 3.3Å; I114-L147 HydrophobicContact CG2-CD2 4.08Å; L118-L147 HydrophobicContact CB-CD1 4.15Å; I121-L147 HydrophobicContact CD1-CD1 3.89Å; I136-L147 HydrophobicContact CD1-CD2 4.23Å; I136-L147 HydrophobicContact CG1-CD2 3.84Å
148G88.9Confident72.4Confident1 Ų140.3 Ų40.31%0.0123%0.231CC..  trans-127.8176.8171.600000112.3H128 N135 F150H128-G148 PolarHBondContact CE1-O 3.27Å; H128-G148 PolarHBondContact NE2-O 2.99Å; N135-G148 PolarHBondContact O-N 3.09Å; G148-F150 PolarHBondContact O-N 2.81Å
149D74.4Confident69.9Low45 Ų4545.9 Ų45.924%0.24127%0.266CS..  trans51.951.3176.2-75.2-48.8000114.6K35 N135 G151K35-D149 IonicContact NZ-OD1 3.4Å; K35-D149 PolarHBondContact NZ-OD1 3.24Å; N135-D149 HydrophobicContact CB-CB 4.39Å; N135-D149 WeakPolarHBondContact ND2-CB 3.28Å; N135-D149 PolarHBondContact ND2-O 3.06Å; D149-G151 PolarHBondContact O-N 3.25Å
150F68.3Low67.7Low12 Ų1248.9 Ų48.95%0.05328%0.281CS..  trans-47.1125.6166.2-54.6-95.7000111L57 I65 I121 H128 G148 I152L57-F150 HydrophobicContact CD1-CD2 3.51Å; L57-F150 HydrophobicContact CD1-CE2 3.85Å; L57-F150 HydrophobicContact CD1-CG 4.43Å; I65-F150 HydrophobicContact CB-CZ 4.22Å; I65-F150 HydrophobicContact CD1-CE1 4.12Å; I65-F150 HydrophobicContact CD1-CZ 3.8Å; I65-F150 HydrophobicContact CG1-CE1 4.44Å; I65-F150 HydrophobicContact CG1-CZ 3.83Å; I65-F150 HydrophobicContact CG2-CE2 3.89Å; I65-F150 HydrophobicContact CG2-CZ 3.52Å; I121-F150 HydrophobicContact CD1-CD1 3.98Å; I121-F150 HydrophobicContact CD1-CE1 3.5Å; I121-F150 VanDerWaalsContact CD1-CE1 3.5Å; I121-F150 HydrophobicContact CG1-CE1 3.87Å; H128-F150 AromaticContact CD2-CD1 3.48Å; H128-F150 VanDerWaalsContact CD2-CD1 3.48Å; H128-F150 WeakPolarHBondContact CD2-CD1 3.25Å; H128-F150 AromaticContact CD2-CE1 3.88Å; H128-F150 AromaticContact NE2-CD1 3.98Å; G148-F150 PolarHBondContact O-N 2.81Å; F150-I152 HydrophobicContact CB-CD1 3.6Å; F150-I152 HydrophobicContact CB-CG1 3.85Å; F150-I152 HydrophobicContact CG-CD1 4.33Å; F150-I152 PolarHBondContact O-N 3.08Å
151G60.1Low65.8Low4 Ų446.7 Ų46.74%0.04126%0.264CS..  trans-77.334.6-178.500000114.8H128 D149 A153 R154H128-G151 WeakPolarHBondContact O-CA 3.36Å; H128-G151 PolarHBondContact O-N 3.39Å; D149-G151 PolarHBondContact O-N 3.25Å; G151-A153 VanDerWaalsContact C-N 3.3Å; G151-A153 PolarHBondContact O-N 3.47Å; G151-R154 WeakPolarHBondContact O-CB 3.44Å; G151-R154 WeakPolarHBondContact O-CG 3.48Å; G151-R154 PolarHBondContact O-N 3.29Å
152I53.3Low64Low19 Ų1948.8 Ų48.810%0.09726%0.256CS..G310 helixtrans-62-39.6-175.1-55147.3000110.2E53 L56 F150 R154 I155E53-I152 HydrophobicContact CB-CB 4.25Å; E53-I152 HydrophobicContact CB-CG2 3.76Å; E53-I152 HydrophobicContact CG-CB 3.84Å; E53-I152 HydrophobicContact CG-CD1 4.33Å; E53-I152 HydrophobicContact CG-CG2 3.92Å; L56-I152 HydrophobicContact CD2-CD1 3.51Å; L56-I152 HydrophobicContact CD2-CG1 4.01Å; F150-I152 HydrophobicContact CB-CD1 3.6Å; F150-I152 HydrophobicContact CB-CG1 3.85Å; F150-I152 HydrophobicContact CG-CD1 4.33Å; F150-I152 PolarHBondContact O-N 3.08Å; I152-R154 PolarHBondContact O-N 2.88Å; I152-I155 HydrophobicContact CG2-CD1 4.22Å; I152-I155 WeakPolarHBondContact O-CD1 3.34Å; I152-I155 VanDerWaalsContact O-CG1 3.29Å; I152-I155 WeakPolarHBondContact O-CG1 3.44Å; I152-I155 PolarHBondContact O-N 3.38Å
153A47.6Very low61.9Low35 Ų3551 Ų5129%0.28927%0.274SS..G310 helixtrans-51.6-19.9170.900000115.2F15 E53 G151F15-A153 HydrophobicContact CE1-CB 4.3Å; E53-A153 VanDerWaalsContact CD-N 3.26Å; E53-A153 WeakPolarHBondContact OE1-CA 3.48Å; E53-A153 VanDerWaalsContact OE1-CB 3.32Å; E53-A153 WeakPolarHBondContact OE1-CB 3.47Å; E53-A153 PolarHBondContact OE1-N 3.35Å; E53-A153 WeakPolarHBondContact OE2-CA 3.36Å; E53-A153 VanDerWaalsContact OE2-CB 3.31Å; E53-A153 WeakPolarHBondContact OE2-CB 3.39Å; G151-A153 VanDerWaalsContact C-N 3.3Å; G151-A153 PolarHBondContact O-N 3.47Å
154R51.9Low60.1Low43 Ų4348.7 Ų48.716%0.16226%0.259CS..G310 helixtrans-92-10.1-166.1-54.9170.561165.9-20.2112.9F15 D130 G151 I152 L156 N157 E161F15-R154 HydrophobicContact CZ-CG 4.2Å; D130-R154 IonicContact OD1-CZ 3.64Å; D130-R154 IonicContact OD1-NH1 3.95Å; D130-R154 PolarHBondContact OD1-NH1 2.94Å; D130-R154 IonicContact OD2-NH1 3.13Å; D130-R154 PolarHBondContact OD2-NH1 3.1Å; G151-R154 WeakPolarHBondContact O-CB 3.44Å; G151-R154 WeakPolarHBondContact O-CG 3.48Å; G151-R154 PolarHBondContact O-N 3.29Å; I152-R154 PolarHBondContact O-N 2.88Å; R154-L156 PolarHBondContact O-N 3.21Å; R154-L156 VanDerWaalsContact O-N 3.09Å; R154-N157 PolarHBondContact O-N 3.09Å; R154-N157 VanDerWaalsContact O-N 3.17Å; R154-E161 IonicContact CZ-OE1 2.69Å; R154-E161 IonicContact NE-OE1 3.12Å; R154-E161 PolarHBondContact NE-OE1 3.03Å; R154-E161 IonicContact NH2-OE1 2.68Å; R154-E161 PolarHBondContact NH2-OE1 2.88Å; R154-E161 IonicContact NH2-OE2 2.67Å
155I42.8Very low58Low101 Ų10145 Ų4552%0.51825%0.245SC..THydrogen-bonded Turntrans-49.7-37.7-178.5-67.9166000113.2I152 N157I152-I155 HydrophobicContact CG2-CD1 4.22Å; I152-I155 WeakPolarHBondContact O-CD1 3.34Å; I152-I155 VanDerWaalsContact O-CG1 3.29Å; I152-I155 WeakPolarHBondContact O-CG1 3.44Å; I152-I155 PolarHBondContact O-N 3.38Å; I155-N157 VanDerWaalsContact C-N 3.29Å; I155-N157 PolarHBondContact O-N 3.09Å
156L35.6Very low55.2Low91 Ų9150.3 Ų50.348%0.47628%0.28SS..THydrogen-bonded Turntrans-76.9-2.1-173.9-75.4166.2000115.5A49 R154A49-L156 HydrophobicContact CB-CD1 3.93Å; R154-L156 PolarHBondContact O-N 3.21Å; R154-L156 VanDerWaalsContact O-N 3.09Å
157N46.1Very low52.8Low40 Ų4056.3 Ų56.321%0.21432%0.318CS..  trans-140.840.4-149.6-92.9-48.6000116.4R154 I155 T159 L160 E161R154-N157 PolarHBondContact O-N 3.09Å; R154-N157 VanDerWaalsContact O-N 3.17Å; I155-N157 VanDerWaalsContact C-N 3.29Å; I155-N157 PolarHBondContact O-N 3.09Å; N157-T159 VanDerWaalsContact C-N 3.29Å; N157-T159 PolarHBondContact O-N 3.28Å; N157-L160 HydrophobicContact CB-CB 3.77Å; N157-L160 CarbonylContact O-C 3.57Å; N157-L160 WeakPolarHBondContact O-CA 3.44Å; N157-L160 PolarHBondContact O-N 3.23Å; N157-L160 WeakPolarHBondContact OD1-CB 3.44Å; N157-L160 VanDerWaalsContact OD1-CD1 3.28Å; N157-L160 WeakPolarHBondContact OD1-CD1 3.3Å; N157-E161 VanDerWaalsContact O-CG 3.27Å; N157-E161 WeakPolarHBondContact O-CG 3.48Å; N157-E161 PolarHBondContact O-N 3.25Å
158N44.5Very low50.9Low68 Ų6858.3 Ų58.336%0.36434%0.339SS..Hα-helixtrans-50-46.1177.5-128.538.8000112.6L160 E161 M162 R181N158-L160 VanDerWaalsContact C-N 3.33Å; N158-L160 PolarHBondContact O-N 2.88Å; N158-E161 PolarHBondContact O-N 3.22Å; N158-M162 PolarHBondContact O-N 3.22Å; N158-R181 PolarHBondContact ND2-O 3.39Å
159T41.4Very low49.4Very low119 Ų11961.3 Ų61.373%0.7336%0.358SS*.Hα-helixtrans-64.4-35.3175.9-35.70000113N157 M162 A163N157-T159 VanDerWaalsContact C-N 3.29Å; N157-T159 PolarHBondContact O-N 3.28Å; T159-M162 PolarHBondContact O-N 3.5Å; T159-A163 PolarHBondContact O-N 3.36Å; T159-A163 VanDerWaalsContact O-N 3.07Å
160L46.3Very low49.7Very low72 Ų7260.3 Ų60.338%0.37735%0.354SS..Hα-helixtrans-81.6-21.5-178.5-130172.7000111.9N157 N158 A163 R164N157-L160 HydrophobicContact CB-CB 3.77Å; N157-L160 CarbonylContact O-C 3.57Å; N157-L160 WeakPolarHBondContact O-CA 3.44Å; N157-L160 PolarHBondContact O-N 3.23Å; N157-L160 WeakPolarHBondContact OD1-CB 3.44Å; N157-L160 VanDerWaalsContact OD1-CD1 3.28Å; N157-L160 WeakPolarHBondContact OD1-CD1 3.3Å; N158-L160 VanDerWaalsContact C-N 3.33Å; N158-L160 PolarHBondContact O-N 2.88Å; L160-A163 HydrophobicContact CD2-CB 4.49Å; L160-R164 HydrophobicContact CD2-CG 4.07Å; L160-R164 WeakPolarHBondContact O-CB 3.45Å; L160-R164 VanDerWaalsContact O-CD 3.28Å; L160-R164 WeakPolarHBondContact O-CD 3.37Å; L160-R164 WeakPolarHBondContact O-CG 3.32Å; L160-R164 PolarHBondContact O-N 3.14Å
161E47.8Very low50.7Low16 Ų1663.1 Ų63.18%0.07536%0.364CS..Hα-helixtrans-63-49.7166.2-55.9-134118.900110R154 N157 N158 A163 R164 T165R154-E161 IonicContact CZ-OE1 2.69Å; R154-E161 IonicContact NE-OE1 3.12Å; R154-E161 PolarHBondContact NE-OE1 3.03Å; R154-E161 IonicContact NH2-OE1 2.68Å; R154-E161 PolarHBondContact NH2-OE1 2.88Å; R154-E161 IonicContact NH2-OE2 2.67Å; N157-E161 VanDerWaalsContact O-CG 3.27Å; N157-E161 WeakPolarHBondContact O-CG 3.48Å; N157-E161 PolarHBondContact O-N 3.25Å; N158-E161 PolarHBondContact O-N 3.22Å; E161-A163 VanDerWaalsContact C-N 3.34Å; E161-A163 PolarHBondContact O-N 2.82Å; E161-R164 WeakPolarHBondContact O-CB 3.37Å; E161-R164 PolarHBondContact O-N 2.96Å; E161-R164 VanDerWaalsContact O-N 3.1Å; E161-T165 WeakPolarHBondContact O-CG2 3.49Å; E161-T165 PolarHBondContact O-N 3.42Å
162M45.5Very low52.3Low114 Ų11464.8 Ų64.856%0.56237%0.37SS*.Hα-helixtrans-60.7-43177-156.3173.875.700111.3N158 T159 R164 T165N158-M162 PolarHBondContact O-N 3.22Å; T159-M162 PolarHBondContact O-N 3.5Å; M162-R164 VanDerWaalsContact C-N 3.34Å; M162-R164 PolarHBondContact O-N 3.3Å; M162-T165 WeakPolarHBondContact O-CB 3.43Å; M162-T165 PolarHBondContact O-N 3.05Å; M162-T165 PolarHBondContact O-OG1 3.13Å
163A41.6Very low54.1Low53 Ų5365.7 Ų65.744%0.43837%0.374SS..Hα-helixtrans-66-29.4174.500000114.1T159 L160 E161 T165 C166T159-A163 PolarHBondContact O-N 3.36Å; T159-A163 VanDerWaalsContact O-N 3.07Å; L160-A163 HydrophobicContact CD2-CB 4.49Å; E161-A163 VanDerWaalsContact C-N 3.34Å; E161-A163 PolarHBondContact O-N 2.82Å; A163-T165 VanDerWaalsContact C-N 3.27Å; A163-T165 PolarHBondContact O-N 3.3Å; A163-C166 WeakPolarHBondContact O-CB 3.39Å; A163-C166 PolarHBondContact O-N 2.84Å; A163-C166 PolarHBondContact O-SG 2.99Å; A163-C166 VanDerWaalsContact O-SG 3.41Å
164R48.3Very low56.2Low72 Ų7264 Ų6427%0.27236%0.361SS..Hα-helixtrans-69.3-23.1173.7-77.6161.2-179.6155.51.6112.6L160 E161 M162 C166 V167L160-R164 HydrophobicContact CD2-CG 4.07Å; L160-R164 WeakPolarHBondContact O-CB 3.45Å; L160-R164 VanDerWaalsContact O-CD 3.28Å; L160-R164 WeakPolarHBondContact O-CD 3.37Å; L160-R164 WeakPolarHBondContact O-CG 3.32Å; L160-R164 PolarHBondContact O-N 3.14Å; E161-R164 WeakPolarHBondContact O-CB 3.37Å; E161-R164 PolarHBondContact O-N 2.96Å; E161-R164 VanDerWaalsContact O-N 3.1Å; M162-R164 VanDerWaalsContact C-N 3.34Å; M162-R164 PolarHBondContact O-N 3.3Å; R164-C166 PolarHBondContact O-N 3.31Å; R164-V167 PolarHBondContact O-N 3.18Å
165T47.9Very low58.3Low21 Ų2162.1 Ų62.113%0.12935%0.354CS..G310 helixtrans-67.1-12.9174.174.40000113.6E161 M162 A163 V167 G168 P170E161-T165 WeakPolarHBondContact O-CG2 3.49Å; E161-T165 PolarHBondContact O-N 3.42Å; M162-T165 WeakPolarHBondContact O-CB 3.43Å; M162-T165 PolarHBondContact O-N 3.05Å; M162-T165 PolarHBondContact O-OG1 3.13Å; A163-T165 VanDerWaalsContact C-N 3.27Å; A163-T165 PolarHBondContact O-N 3.3Å; T165-V167 PolarHBondContact O-N 2.9Å; T165-V167 VanDerWaalsContact O-N 3.12Å; T165-G168 PolarHBondContact O-N 2.88Å; T165-P170 HydrophobicContact CG2-CB 3.67Å; T165-P170 HydrophobicContact CG2-CG 3.73Å
166C36.7Very low60.6Low112 Ų11257.6 Ų57.676%0.75733%0.33SS*.G310 helixtrans-66.5-8.1173.4-60.50000114.1A163 R164A163-C166 WeakPolarHBondContact O-CB 3.39Å; A163-C166 PolarHBondContact O-N 2.84Å; A163-C166 PolarHBondContact O-SG 2.99Å; A163-C166 VanDerWaalsContact O-SG 3.41Å; R164-C166 PolarHBondContact O-N 3.31Å
167V45.4Very low63.1Low142 Ų14254.2 Ų54.286%0.86131%0.313SS*.G310 helixtrans-106.2-1179.1-164.70000112.2R164 T165R164-V167 PolarHBondContact O-N 3.18Å; T165-V167 PolarHBondContact O-N 2.9Å; T165-V167 VanDerWaalsContact O-N 3.12Å
168G55.4Low65.1Low45 Ų4553.6 Ų53.646%0.46431%0.311SS..SBendtrans171.5154.4175.600000114.7T165 P170T165-G168 PolarHBondContact O-N 2.88Å; G168-P170 WeakPolarHBondContact O-CD 3.27Å
169T56.3Low67Low64 Ų6454.5 Ų54.539%0.39331%0.313SS..  trans-61.5117.9-177-51.60000111.7Y171 L214T169-Y171 HydrophobicContact CG2-CD1 3.99Å; T169-Y171 HydrophobicContact CG2-CE1 3.45Å; T169-Y171 VanDerWaalsContact CG2-CE1 3.45Å; T169-Y171 HydrophobicContact CG2-CE2 4.16Å; T169-Y171 WeakPolarHBondContact O-CD2 3.4Å; T169-Y171 VanDerWaalsContact O-CE2 3.29Å; T169-Y171 WeakPolarHBondContact O-CE2 3.49Å; T169-Y171 PolarHBondContact O-N 3.41Å; T169-Y171 VanDerWaalsContact O-N 3.15Å; T169-L214 HydrophobicContact CG2-CD2 3.82Å
170P81Confident69Low24 Ų2452.8 Ų52.816%0.15631%0.306CS..  trans-92.674.5-167.238.4-41000112.9T165 G168 Y172 L173 L211 L214T165-P170 HydrophobicContact CG2-CB 3.67Å; T165-P170 HydrophobicContact CG2-CG 3.73Å; G168-P170 WeakPolarHBondContact O-CD 3.27Å; P170-Y172 PolarHBondContact O-N 3.46Å; P170-L173 HydrophobicContact CB-CD1 3.94Å; P170-L173 HydrophobicContact CB-CG 3.9Å; P170-L173 HydrophobicContact CG-CD1 3.52Å; P170-L173 HydrophobicContact CG-CG 4.02Å; P170-L173 PolarHBondContact O-N 3.45Å; P170-L211 HydrophobicContact CG-CD1 3.66Å; P170-L214 HydrophobicContact CG-CD2 3.86Å
171Y89.7Confident70.7Confident71 Ų7156.2 Ų56.228%0.27831%0.314SS..THydrogen-bonded Turntrans-59.8-5.2-171.9-55.7-74.5000117.7T169 H204 F206 E207T169-Y171 HydrophobicContact CG2-CD1 3.99Å; T169-Y171 HydrophobicContact CG2-CE1 3.45Å; T169-Y171 VanDerWaalsContact CG2-CE1 3.45Å; T169-Y171 HydrophobicContact CG2-CE2 4.16Å; T169-Y171 WeakPolarHBondContact O-CD2 3.4Å; T169-Y171 VanDerWaalsContact O-CE2 3.29Å; T169-Y171 WeakPolarHBondContact O-CE2 3.49Å; T169-Y171 PolarHBondContact O-N 3.41Å; T169-Y171 VanDerWaalsContact O-N 3.15Å; Y171-H204 HydrophobicContact CD1-CB 3.74Å; Y171-H204 AromaticContact CD1-CD2 3.55Å; Y171-H204 AromaticContact CD1-CG 3.73Å; Y171-H204 AromaticContact CD2-CD2 3.46Å; Y171-H204 VanDerWaalsContact CD2-CD2 3.46Å; Y171-H204 WeakPolarHBondContact CD2-CD2 3.4Å; Y171-H204 AromaticContact CD2-NE2 3.53Å; Y171-H204 HydrophobicContact CE1-CB 4.42Å; Y171-H204 AromaticContact CE1-CD2 3.81Å; Y171-H204 AromaticContact CE2-CD2 3.73Å; Y171-H204 AromaticContact CE2-NE2 3.9Å; Y171-H204 HydrophobicContact CG-CB 4.03Å; Y171-H204 AromaticContact CG-CD2 3.37Å; Y171-H204 AromaticContact CG-CG 3.57Å; Y171-H204 AromaticContact CG-NE2 3.84Å; Y171-H204 AromaticContact CZ-CD2 3.89Å; Y171-F206 WeakPolarHBondContact CD1-O 3.48Å; Y171-E207 HydrophobicContact CD1-CG 4.37Å; Y171-E207 HydrophobicContact CE1-CG 4.09Å
172Y92.4Very high72.2Confident39 Ų3959.5 Ų59.515%0.15334%0.337CS..THydrogen-bonded Turntrans-111.80.6-175.6-61.5-85.7000114.5I131 K132 S133 P170 S191 C194 V195 E198I131-Y172 WeakPolarHBondContact O-CD1 3.47Å; K132-Y172 HydrophobicContact CB-CD1 3.99Å; K132-Y172 HydrophobicContact CB-CD2 3.7Å; K132-Y172 HydrophobicContact CB-CE1 3.73Å; K132-Y172 HydrophobicContact CB-CE2 3.39Å; K132-Y172 HydrophobicContact CB-CG 3.98Å; K132-Y172 VanDerWaalsContact CB-CZ 3.4Å; S133-Y172 PolarHBondContact N-OH 3.08Å; S133-Y172 PolarHBondContact OG-OH 3.43Å; P170-Y172 PolarHBondContact O-N 3.46Å; Y172-S191 PolarHBondContact O-OG 3.37Å; Y172-C194 HydrophobicContact CD1-CB 3.51Å; Y172-C194 HydrophobicContact CE1-CB 3.69Å; Y172-V195 HydrophobicContact CE1-CG2 4.05Å; Y172-E198 WeakPolarHBondContact CE1-OE2 3.37Å; Y172-E198 VanDerWaalsContact CZ-OE2 3.24Å; Y172-E198 PolarHBondContact OH-OE1 3.41Å; Y172-E198 PolarHBondContact OH-OE2 2.95Å
173L91.3Very high74Confident37 Ų3755.2 Ų55.219%0.19431%0.314CS..  trans-62.9142.6175.5-64.2-178.9000111P170 I177 W190 I218P170-L173 HydrophobicContact CB-CD1 3.94Å; P170-L173 HydrophobicContact CB-CG 3.9Å; P170-L173 HydrophobicContact CG-CD1 3.52Å; P170-L173 HydrophobicContact CG-CG 4.02Å; P170-L173 PolarHBondContact O-N 3.45Å; L173-I177 HydrophobicContact CD2-CG2 3.84Å; L173-W190 PolarHBondContact O-NE1 3.5Å; L173-I218 HydrophobicContact CB-CD1 4.11Å
174S93.4Very high76.1Confident1 Ų154.6 Ų54.61%0.00730%0.304CS..  trans-100.2163.4171.967.60000111.5E176 I177 C178 T187S174-E176 VanDerWaalsContact C-N 3.29Å; S174-E176 VanDerWaalsContact CB-OE1 3.29Å; S174-E176 WeakPolarHBondContact CB-OE1 3.42Å; S174-E176 WeakPolarHBondContact CB-OE2 3.29Å; S174-E176 PolarHBondContact O-N 3.33Å; S174-E176 PolarHBondContact OG-OE1 2.83Å; S174-E176 PolarHBondContact OG-OE2 3.05Å; S174-I177 PolarHBondContact O-N 2.9Å; S174-I177 WeakPolarHBondContact OG-CG1 3.5Å; S174-C178 PolarHBondContact O-N 2.83Å; S174-C178 PolarHBondContact O-SG 3.26Å; S174-C178 VanDerWaalsContact O-SG 3.41Å; S174-T187 WeakPolarHBondContact OG-CG2 3.45Å
175P94.4Very high78.2Confident2 Ų252.1 Ų52.11%0.01330%0.296CS..Hα-helixtrans-53-44.3178.8-27.936000113.2I177 C178 E179 W190 I218 V244P175-I177 PolarHBondContact O-N 3.33Å; P175-C178 WeakPolarHBondContact O-CB 3.21Å; P175-C178 PolarHBondContact O-N 2.74Å; P175-E179 WeakPolarHBondContact O-CB 3.42Å; P175-E179 WeakPolarHBondContact O-CG 3.5Å; P175-E179 PolarHBondContact O-N 2.83Å; P175-W190 HydrophobicContact CG-CE3 4.4Å; P175-W190 HydrophobicContact CG-CH2 3.7Å; P175-W190 HydrophobicContact CG-CZ2 4.16Å; P175-W190 HydrophobicContact CG-CZ3 3.83Å; P175-I218 HydrophobicContact CG-CG2 4.06Å; P175-V244 HydrophobicContact CB-CG1 3.98Å; P175-V244 HydrophobicContact CG-CG1 3.96Å
176E91.1Very high80.5Confident6 Ų652.4 Ų52.43%0.02830%0.295CS..Hα-helixtrans-66.6-34.2-178.169.1-78.3-179.600112.8S174 E179 S180 R181 T187 P246 R249S174-E176 VanDerWaalsContact C-N 3.29Å; S174-E176 VanDerWaalsContact CB-OE1 3.29Å; S174-E176 WeakPolarHBondContact CB-OE1 3.42Å; S174-E176 WeakPolarHBondContact CB-OE2 3.29Å; S174-E176 PolarHBondContact O-N 3.33Å; S174-E176 PolarHBondContact OG-OE1 2.83Å; S174-E176 PolarHBondContact OG-OE2 3.05Å; E176-E179 CarbonylContact O-C 3.51Å; E176-E179 PolarHBondContact O-N 2.82Å; E176-S180 PolarHBondContact O-N 2.79Å; E176-R181 HydrophobicContact CB-CB 4.1Å; E176-R181 HydrophobicContact CB-CG 4.37Å; E176-R181 WeakPolarHBondContact O-CA 3.2Å; E176-R181 VanDerWaalsContact O-CB 3.24Å; E176-R181 WeakPolarHBondContact O-CB 3.39Å; E176-R181 WeakPolarHBondContact O-CG 3.27Å; E176-R181 PolarHBondContact O-N 2.87Å; E176-T187 WeakPolarHBondContact OE1-CA 3.2Å; E176-T187 VanDerWaalsContact OE1-CB 3.3Å; E176-T187 WeakPolarHBondContact OE1-CB 3.26Å; E176-T187 WeakPolarHBondContact OE1-CG2 3.45Å; E176-T187 PolarHBondContact OE1-OG1 2.83Å; E176-P246 HydrophobicContact CB-CG 4.11Å; E176-P246 HydrophobicContact CG-CG 4.02Å; E176-R249 IonicContact OE1-CZ 3.66Å; E176-R249 IonicContact OE1-NH1 2.74Å; E176-R249 PolarHBondContact OE1-NH1 3.43Å; E176-R249 IonicContact OE1-NH2 3.79Å; E176-R249 IonicContact OE2-CZ 2.71Å; E176-R249 IonicContact OE2-NH1 3.98Å; E176-R249 PolarHBondContact OE2-NH1 3.17Å; E176-R249 VanDerWaalsContact OE2-NH1 3.17Å; E176-R249 IonicContact OE2-NH2 3.6Å; E176-R249 PolarHBondContact OE2-NH2 3.09Å
177I88.5Confident83.2Confident21 Ų2147.1 Ų47.111%0.10826%0.26CS..Hα-helixtrans-74.8-38.5173.7-58.5-57.5000111.2L173 S174 P175 E179 S180 Y183 T187L173-I177 HydrophobicContact CD2-CG2 3.84Å; S174-I177 PolarHBondContact O-N 2.9Å; S174-I177 WeakPolarHBondContact OG-CG1 3.5Å; P175-I177 PolarHBondContact O-N 3.33Å; I177-E179 PolarHBondContact O-N 2.83Å; I177-S180 PolarHBondContact O-N 2.87Å; I177-Y183 HydrophobicContact CD1-CD2 3.66Å; I177-Y183 HydrophobicContact CD1-CG 4.09Å; I177-Y183 HydrophobicContact CG1-CD2 4.1Å; I177-Y183 HydrophobicContact CG1-CE2 4.49Å; I177-T187 HydrophobicContact CD1-CG2 4.25Å; I177-T187 HydrophobicContact CG1-CG2 3.73Å
178C88.1Confident85.6Confident27 Ų2740.3 Ų40.318%0.18222%0.219CC..Hα-helixtrans-59.3-31.7171.8-71.70000112.7S174 P175 S180 V215S174-C178 PolarHBondContact O-N 2.83Å; S174-C178 PolarHBondContact O-SG 3.26Å; S174-C178 VanDerWaalsContact O-SG 3.41Å; P175-C178 WeakPolarHBondContact O-CB 3.21Å; P175-C178 PolarHBondContact O-N 2.74Å; C178-S180 VanDerWaalsContact C-N 3.3Å; C178-V215 HydrophobicContact CB-CG1 3.99Å; C178-V215 HydrophobicContact CB-CG2 4.46Å
179E85.6Confident87.6Confident87 Ų8738.2 Ų38.241%0.40720%0.197SC..THydrogen-bonded Turntrans-87.39.9174.5-68.9173.1-153.800113.7P175 E176 I177 R181P175-E179 WeakPolarHBondContact O-CB 3.42Å; P175-E179 WeakPolarHBondContact O-CG 3.5Å; P175-E179 PolarHBondContact O-N 2.83Å; E176-E179 CarbonylContact O-C 3.51Å; E176-E179 PolarHBondContact O-N 2.82Å; I177-E179 PolarHBondContact O-N 2.83Å; E179-R181 HydrophobicContact CB-CG 4.05Å; E179-R181 PolarHBondContact O-N 2.88Å; E179-R181 IonicContact OE2-CZ 2.65Å; E179-R181 IonicContact OE2-NE 2.84Å; E179-R181 PolarHBondContact OE2-NE 3.11Å; E179-R181 IonicContact OE2-NH2 3.59Å; E179-R181 PolarHBondContact OE2-NH2 3.31Å
180S81.7Confident89.6Confident83 Ų8335.1 Ų35.158%0.5818%0.178SC*.THydrogen-bonded Turntrans59.623.1-179.4-55.40000115.5E176 I177 C178E176-S180 PolarHBondContact O-N 2.79Å; I177-S180 PolarHBondContact O-N 2.87Å; C178-S180 VanDerWaalsContact C-N 3.3Å
181R83.5Confident90.4Very high143 Ų14334.3 Ų34.354%0.5417%0.173SC..PPolyproline II helixtrans-76.7168.9172.9-47.5-173.6-171.6-151.17111N158 E176 E179N158-R181 PolarHBondContact ND2-O 3.39Å; E176-R181 HydrophobicContact CB-CB 4.1Å; E176-R181 HydrophobicContact CB-CG 4.37Å; E176-R181 WeakPolarHBondContact O-CA 3.2Å; E176-R181 VanDerWaalsContact O-CB 3.24Å; E176-R181 WeakPolarHBondContact O-CB 3.39Å; E176-R181 WeakPolarHBondContact O-CG 3.27Å; E176-R181 PolarHBondContact O-N 2.87Å; E179-R181 HydrophobicContact CB-CG 4.05Å; E179-R181 PolarHBondContact O-N 2.88Å; E179-R181 IonicContact OE2-CZ 2.65Å; E179-R181 IonicContact OE2-NE 2.84Å; E179-R181 PolarHBondContact OE2-NE 3.11Å; E179-R181 IonicContact OE2-NH2 3.59Å; E179-R181 PolarHBondContact OE2-NH2 3.31Å
182P77.8Confident90.8Very high85 Ų8530.9 Ų30.955%0.55216%0.159SC*.PPolyproline II helixtrans-66.4146.6176.9-22.635.1000114.3N184P182-N184 PolarHBondContact O-ND2 3.4Å
183Y82.9Confident91.1Very high24 Ų2429 Ų299%0.09415%0.152CC..PPolyproline II helixtrans-75.1127.9173.3-157.9-65.8000110.7L127 R129 I177 T187 D188L127-Y183 HydrophobicContact CD1-CD1 4.21Å; L127-Y183 WeakPolarHBondContact CD1-O 3.31Å; R129-Y183 WeakPolarHBondContact CA-OH 3.47Å; R129-Y183 HydrophobicContact CB-CE1 4.48Å; R129-Y183 HydrophobicContact CB-CE2 4.43Å; R129-Y183 HydrophobicContact CG-CD1 4.02Å; R129-Y183 HydrophobicContact CG-CD2 4.47Å; R129-Y183 HydrophobicContact CG-CE1 3.93Å; R129-Y183 HydrophobicContact CG-CE2 4.41Å; R129-Y183 HydrophobicContact CG-CG 4.32Å; I177-Y183 HydrophobicContact CD1-CD2 3.66Å; I177-Y183 HydrophobicContact CD1-CG 4.09Å; I177-Y183 HydrophobicContact CG1-CD2 4.1Å; I177-Y183 HydrophobicContact CG1-CE2 4.49Å; Y183-T187 HydrophobicContact CD1-CG2 3.92Å; Y183-T187 HydrophobicContact CD2-CG2 3.73Å; Y183-T187 HydrophobicContact CE1-CG2 3.61Å; Y183-T187 HydrophobicContact CE2-CG2 3.39Å; Y183-T187 HydrophobicContact CG-CG2 3.95Å; Y183-D188 PolarHBondContact OH-OD1 3.29Å
184N87.4Confident91.4Very high41 Ų4127.3 Ų27.322%0.21914%0.143CC..  trans-130.6178.8-17859.172.3000111.7P182 K186 T187P182-N184 PolarHBondContact O-ND2 3.4Å; N184-K186 VanDerWaalsContact C-N 3.3Å; N184-K186 PolarHBondContact O-N 3.37Å; N184-K186 WeakPolarHBondContact OD1-CA 3.34Å; N184-K186 VanDerWaalsContact OD1-CB 3.29Å; N184-K186 WeakPolarHBondContact OD1-CB 3.28Å; N184-K186 PolarHBondContact OD1-N 2.84Å; N184-T187 PolarHBondContact N-OG1 2.83Å; N184-T187 PolarHBondContact ND2-OG1 2.83Å; N184-T187 WeakPolarHBondContact O-CB 3.37Å; N184-T187 PolarHBondContact O-N 3.03Å; N184-T187 PolarHBondContact O-OG1 2.83Å; N184-T187 PolarHBondContact OD1-N 3Å; N184-T187 VanDerWaalsContact OD1-N 3.11Å; N184-T187 PolarHBondContact OD1-OG1 3.42Å
185N91Very high91.6Very high20 Ų2027.2 Ų27.211%0.10714%0.142CC..Hα-helixtrans-62.1-35.8-179.765.3-18.5000112.5H122 L127 T187 D188 I189H122-N185 PolarHBondContact CE1-O 3.37Å; L127-N185 VanDerWaalsContact CD2-CA 3.46Å; L127-N185 HydrophobicContact CD2-CB 3.92Å; L127-N185 VanDerWaalsContact CD2-N 3.33Å; N185-T187 PolarHBondContact O-N 2.92Å; N185-D188 WeakPolarHBondContact O-CB 3.39Å; N185-D188 PolarHBondContact O-N 3.3Å; N185-I189 WeakPolarHBondContact O-CG1 3.41Å; N185-I189 PolarHBondContact O-N 3.34Å
186K96Very high91.8Very high26 Ų2627.1 Ų27.111%0.11314%0.142CC..Hα-helixtrans-70.6-13.8175.5-49.8-60.2-170.876.70112.8N184 I189 W190 P246 R247 R249N184-K186 VanDerWaalsContact C-N 3.3Å; N184-K186 PolarHBondContact O-N 3.37Å; N184-K186 WeakPolarHBondContact OD1-CA 3.34Å; N184-K186 VanDerWaalsContact OD1-CB 3.29Å; N184-K186 WeakPolarHBondContact OD1-CB 3.28Å; N184-K186 PolarHBondContact OD1-N 2.84Å; K186-I189 HydrophobicContact CD-CG1 4.41Å; K186-W190 PolarHBondContact O-N 3.3Å; K186-P246 HydrophobicContact CB-CB 3.88Å; K186-P246 VanDerWaalsContact CB-O 3.31Å; K186-P246 WeakPolarHBondContact CB-O 3.42Å; K186-P246 VanDerWaalsContact CG-O 3.25Å; K186-P246 WeakPolarHBondContact CG-O 3.32Å; K186-R247 PolarHBondContact NZ-O 3.22Å; K186-R249 HydrophobicContact CB-CB 4.45Å; K186-R249 HydrophobicContact CD-CB 4.49Å; K186-R249 WeakPolarHBondContact CD-O 3.42Å; K186-R249 WeakPolarHBondContact CE-O 3.31Å; K186-R249 PolarHBondContact NZ-O 3.37Å; K186-R249 WeakPolarHBondContact O-CD 3.46Å; K186-R249 PolarHBondContact O-NH1 3.18Å
187T94.1Very high92.2Very high1 Ų127.5 Ų27.51%0.00614%0.143CC..Hα-helixtrans-71.4-44.7168.4-52.40000111.4S174 E176 I177 Y183 N184 N185 I189 W190 S191S174-T187 WeakPolarHBondContact OG-CG2 3.45Å; E176-T187 WeakPolarHBondContact OE1-CA 3.2Å; E176-T187 VanDerWaalsContact OE1-CB 3.3Å; E176-T187 WeakPolarHBondContact OE1-CB 3.26Å; E176-T187 WeakPolarHBondContact OE1-CG2 3.45Å; E176-T187 PolarHBondContact OE1-OG1 2.83Å; I177-T187 HydrophobicContact CD1-CG2 4.25Å; I177-T187 HydrophobicContact CG1-CG2 3.73Å; Y183-T187 HydrophobicContact CD1-CG2 3.92Å; Y183-T187 HydrophobicContact CD2-CG2 3.73Å; Y183-T187 HydrophobicContact CE1-CG2 3.61Å; Y183-T187 HydrophobicContact CE2-CG2 3.39Å; Y183-T187 HydrophobicContact CG-CG2 3.95Å; N184-T187 PolarHBondContact N-OG1 2.83Å; N184-T187 PolarHBondContact ND2-OG1 2.83Å; N184-T187 WeakPolarHBondContact O-CB 3.37Å; N184-T187 PolarHBondContact O-N 3.03Å; N184-T187 PolarHBondContact O-OG1 2.83Å; N184-T187 PolarHBondContact OD1-N 3Å; N184-T187 VanDerWaalsContact OD1-N 3.11Å; N184-T187 PolarHBondContact OD1-OG1 3.42Å; N185-T187 PolarHBondContact O-N 2.92Å; T187-I189 PolarHBondContact O-N 3.08Å; T187-W190 WeakPolarHBondContact O-CB 3.27Å; T187-W190 PolarHBondContact O-N 3.43Å; T187-W190 VanDerWaalsContact O-N 3.12Å; T187-S191 PolarHBondContact O-N 3.39Å
188D95Very high92.6Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-58.2-37170.9-79.5-37.7000110.8L118 H122 H128 R129 I131 Y183 N185 W190 S191 L192L118-D188 HydrophobicContact CD1-CB 4.28Å; L118-D188 HydrophobicContact CD2-CB 4.49Å; H122-D188 IonicContact CD2-OD2 3.17Å; H122-D188 IonicContact CE1-OD2 3.25Å; H122-D188 IonicContact NE2-OD2 2.74Å; H122-D188 PolarHBondContact NE2-OD2 2.86Å; H128-D188 WeakPolarHBondContact CB-OD1 3.49Å; H128-D188 PolarHBondContact N-OD1 3.07Å; H128-D188 PolarHBondContact N-OD2 2.91Å; R129-D188 PolarHBondContact N-OD1 3.05Å; I131-D188 HydrophobicContact CD1-CB 3.63Å; Y183-D188 PolarHBondContact OH-OD1 3.29Å; N185-D188 WeakPolarHBondContact O-CB 3.39Å; N185-D188 PolarHBondContact O-N 3.3Å; D188-W190 VanDerWaalsContact C-N 3.34Å; D188-W190 PolarHBondContact O-N 3.42Å; D188-S191 PolarHBondContact O-N 3.29Å; D188-L192 WeakPolarHBondContact O-CB 3.45Å; D188-L192 PolarHBondContact O-N 3.28Å
189I98.4Very high93.1Very high0 Ų025.3 Ų25.30%013%0.13CC..Hα-helixtrans-63.3-35.4176.7-59.2-59.5000112.5L118 N185 K186 T187 L192 G193 L241 R249 P250 V252L118-I189 HydrophobicContact CD2-CD1 4.21Å; N185-I189 WeakPolarHBondContact O-CG1 3.41Å; N185-I189 PolarHBondContact O-N 3.34Å; K186-I189 HydrophobicContact CD-CG1 4.41Å; T187-I189 PolarHBondContact O-N 3.08Å; I189-L192 HydrophobicContact CD1-CD2 4.35Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; I189-G193 PolarHBondContact O-N 3.15Å; I189-L241 HydrophobicContact CG2-CD2 3.4Å; I189-R249 HydrophobicContact CG2-CB 4.04Å; I189-P250 WeakPolarHBondContact CG2-O 3.43Å; I189-V252 HydrophobicContact CD1-CB 3.9Å
190W98.3Very high93.7Very high0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-67.5-46.4173.9176.8-82.2000111.6L173 P175 K186 T187 D188 L192 G193 C194 F206 I218 F242L173-W190 PolarHBondContact O-NE1 3.5Å; P175-W190 HydrophobicContact CG-CE3 4.4Å; P175-W190 HydrophobicContact CG-CH2 3.7Å; P175-W190 HydrophobicContact CG-CZ2 4.16Å; P175-W190 HydrophobicContact CG-CZ3 3.83Å; K186-W190 PolarHBondContact O-N 3.3Å; T187-W190 WeakPolarHBondContact O-CB 3.27Å; T187-W190 PolarHBondContact O-N 3.43Å; T187-W190 VanDerWaalsContact O-N 3.12Å; D188-W190 VanDerWaalsContact C-N 3.34Å; D188-W190 PolarHBondContact O-N 3.42Å; W190-L192 VanDerWaalsContact C-N 3.28Å; W190-L192 PolarHBondContact O-N 2.65Å; W190-G193 CarbonylContact O-C 3.56Å; W190-G193 VanDerWaalsContact O-CA 3.29Å; W190-G193 WeakPolarHBondContact O-CA 3.2Å; W190-G193 PolarHBondContact O-N 3.46Å; W190-C194 PolarHBondContact O-N 2.95Å; W190-F206 AromaticContact CE2-CE2 3.85Å; W190-F206 AromaticContact CH2-CE2 3.95Å; W190-F206 HydrophobicContact CH2-CE2 3.95Å; W190-F206 AromaticContact CH2-CZ 3.69Å; W190-F206 HydrophobicContact CH2-CZ 3.69Å; W190-F206 HydrophobicContact CZ2-CD2 4.05Å; W190-F206 HydrophobicContact CZ2-CE1 4.41Å; W190-F206 AromaticContact CZ2-CE2 3.21Å; W190-F206 HydrophobicContact CZ2-CE2 3.21Å; W190-F206 AromaticContact CZ2-CZ 3.44Å; W190-F206 HydrophobicContact CZ2-CZ 3.44Å; W190-F206 VanDerWaalsContact CZ2-CZ 3.44Å; W190-I218 HydrophobicContact CZ2-CG2 3.89Å; W190-F242 HydrophobicContact CD2-CD1 4.01Å; W190-F242 HydrophobicContact CE3-CD1 4.05Å; W190-F242 HydrophobicContact CH2-CB 4.46Å; W190-F242 HydrophobicContact CH2-CD1 4.32Å; W190-F242 HydrophobicContact CZ2-CD1 4.25Å; W190-F242 HydrophobicContact CZ3-CB 4.12Å; W190-F242 HydrophobicContact CZ3-CD1 4.22Å; W190-F242 WeakPolarHBondContact CZ3-O 3.33Å
191S96.9Very high94.4Very high6 Ų618.3 Ų18.34%0.0429%0.09CC..Hα-helixtrans-65.7-31.3177.3-53.80000112.4I131 Y172 T187 D188 G193 C194 V195I131-S191 WeakPolarHBondContact O-CB 3.41Å; Y172-S191 PolarHBondContact O-OG 3.37Å; T187-S191 PolarHBondContact O-N 3.39Å; D188-S191 PolarHBondContact O-N 3.29Å; S191-G193 VanDerWaalsContact C-N 3.35Å; S191-C194 WeakPolarHBondContact O-CB 3.36Å; S191-C194 PolarHBondContact O-N 3.35Å; S191-V195 PolarHBondContact O-N 3.22Å
192L98.3Very high95.1Very high0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-62.1-39.5166.6174.567.4000112F111 I114 L118 D188 I189 W190 V195 L196F111-L192 HydrophobicContact CD2-CD1 4.13Å; F111-L192 HydrophobicContact CE2-CD1 3.51Å; F111-L192 HydrophobicContact CE2-CD2 4.2Å; F111-L192 HydrophobicContact CE2-CG 3.73Å; F111-L192 HydrophobicContact CZ-CD1 4.25Å; F111-L192 HydrophobicContact CZ-CD2 4.14Å; F111-L192 HydrophobicContact CZ-CG 4.15Å; I114-L192 HydrophobicContact CG2-CD1 3.48Å; I114-L192 VanDerWaalsContact CG2-CD1 3.48Å; L118-L192 HydrophobicContact CD2-CD2 3.99Å; D188-L192 WeakPolarHBondContact O-CB 3.45Å; D188-L192 PolarHBondContact O-N 3.28Å; I189-L192 HydrophobicContact CD1-CD2 4.35Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; W190-L192 VanDerWaalsContact C-N 3.28Å; W190-L192 PolarHBondContact O-N 2.65Å; L192-V195 PolarHBondContact O-N 2.84Å; L192-L196 PolarHBondContact O-N 3.33Å
193G98.5Very high95.9Very high0 Ų017.7 Ų17.70%08%0.079CC..Hα-helixtrans-58.2-44170.400000112.9I189 W190 S191 V195 L196 Y197 F242I189-G193 PolarHBondContact O-N 3.15Å; W190-G193 CarbonylContact O-C 3.56Å; W190-G193 VanDerWaalsContact O-CA 3.29Å; W190-G193 WeakPolarHBondContact O-CA 3.2Å; W190-G193 PolarHBondContact O-N 3.46Å; S191-G193 VanDerWaalsContact C-N 3.35Å; G193-V195 PolarHBondContact O-N 2.9Å; G193-L196 PolarHBondContact O-N 2.88Å; G193-Y197 WeakPolarHBondContact O-CB 3.45Å; G193-Y197 PolarHBondContact O-N 2.77Å; G193-F242 VanDerWaalsContact C-CE1 3.49Å; G193-F242 WeakPolarHBondContact O-CZ 3.4Å
194C98.4Very high96.5Very high0 Ų018.2 Ų18.20%08%0.083CC..Hα-helixtrans-57.4-46.6173.9-66.50000111.9Y172 W190 S191 L196 Y197 E198 P205Y172-C194 HydrophobicContact CD1-CB 3.51Å; Y172-C194 HydrophobicContact CE1-CB 3.69Å; W190-C194 PolarHBondContact O-N 2.95Å; S191-C194 WeakPolarHBondContact O-CB 3.36Å; S191-C194 PolarHBondContact O-N 3.35Å; C194-L196 PolarHBondContact O-N 3.31Å; C194-Y197 PolarHBondContact O-N 2.83Å; C194-E198 WeakPolarHBondContact O-CG 3.46Å; C194-E198 PolarHBondContact O-N 3.37Å; C194-P205 HydrophobicContact CB-CG 4.14Å
195V98.4Very high96.9Very high0 Ų016.6 Ų16.60%08%0.075CC..Hα-helixtrans-63.9-40.2178.5174.20000112.2L90 I114 I131 I136 Y172 S191 L192 G193 Y197 E198 L199L90-V195 HydrophobicContact CD2-CG1 3.94Å; I114-V195 HydrophobicContact CD1-CG1 4.1Å; I131-V195 HydrophobicContact CG2-CG2 4.14Å; I136-V195 HydrophobicContact CD1-CB 4.34Å; I136-V195 HydrophobicContact CD1-CG1 3.73Å; I136-V195 HydrophobicContact CD1-CG2 3.82Å; Y172-V195 HydrophobicContact CE1-CG2 4.05Å; S191-V195 PolarHBondContact O-N 3.22Å; L192-V195 PolarHBondContact O-N 2.84Å; G193-V195 PolarHBondContact O-N 2.9Å; V195-Y197 VanDerWaalsContact C-N 3.35Å; V195-E198 PolarHBondContact O-N 3.38Å; V195-L199 WeakPolarHBondContact O-CG 3.33Å; V195-L199 PolarHBondContact O-N 2.74Å; V195-L199 VanDerWaalsContact O-N 3.09Å
196L98.6Very high97.1Very high0 Ų015.7 Ų15.70%07%0.069CC..Hα-helixtrans-65.6-40.1175.9-175.756.2000111.5I107 F111 L192 G193 C194 L199 C200 L234 L237 V238 L241I107-L196 HydrophobicContact CG2-CD1 3.63Å; F111-L196 HydrophobicContact CB-CD1 4.23Å; F111-L196 HydrophobicContact CD2-CB 3.96Å; F111-L196 HydrophobicContact CD2-CD1 3.68Å; F111-L196 HydrophobicContact CD2-CD2 4.14Å; F111-L196 HydrophobicContact CD2-CG 4.13Å; F111-L196 HydrophobicContact CE1-CD2 4.32Å; F111-L196 HydrophobicContact CE2-CB 3.78Å; F111-L196 HydrophobicContact CE2-CD1 4.16Å; F111-L196 HydrophobicContact CE2-CD2 3.76Å; F111-L196 HydrophobicContact CE2-CG 4.11Å; F111-L196 HydrophobicContact CG-CD1 3.92Å; F111-L196 HydrophobicContact CZ-CD2 3.87Å; L192-L196 PolarHBondContact O-N 3.33Å; G193-L196 PolarHBondContact O-N 2.88Å; C194-L196 PolarHBondContact O-N 3.31Å; L196-L199 PolarHBondContact O-N 3.35Å; L196-C200 PolarHBondContact O-N 2.83Å; L196-C200 VanDerWaalsContact O-N 3.11Å; L196-C200 PolarHBondContact O-SG 2.95Å; L196-L234 HydrophobicContact CD1-CD1 4.11Å; L196-L234 HydrophobicContact CD2-CD1 4.31Å; L196-L237 HydrophobicContact CD2-CD2 3.91Å; L196-L237 HydrophobicContact CD2-CG 4.08Å; L196-V238 HydrophobicContact CB-CG2 4.39Å; L196-V238 HydrophobicContact CD2-CG2 3.59Å; L196-V238 HydrophobicContact CG-CG2 3.72Å; L196-L241 HydrophobicContact CD2-CD1 3.91Å
197Y98.6Very high96.8Very high13 Ų1318.4 Ų18.45%0.0518%0.083CC..Hα-helixtrans-65.3-41.5176.2-178.6-85.7000112.2G193 C194 V195 L199 C200 S201 R203 H204 P205 Y223 A224 V226 V238 F242G193-Y197 WeakPolarHBondContact O-CB 3.45Å; G193-Y197 PolarHBondContact O-N 2.77Å; C194-Y197 PolarHBondContact O-N 2.83Å; V195-Y197 VanDerWaalsContact C-N 3.35Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-L199 PolarHBondContact O-N 2.88Å; Y197-C200 PolarHBondContact O-N 3.41Å; Y197-S201 VanDerWaalsContact CD1-OG 3.29Å; Y197-S201 WeakPolarHBondContact CD1-OG 3.34Å; Y197-S201 WeakPolarHBondContact CE1-OG 3.46Å; Y197-S201 WeakPolarHBondContact O-CB 3.46Å; Y197-S201 PolarHBondContact O-N 2.61Å; Y197-S201 PolarHBondContact O-OG 2.97Å; Y197-R203 WeakPolarHBondContact CD1-O 3.5Å; Y197-H204 WeakPolarHBondContact CE1-O 3.47Å; Y197-P205 HydrophobicContact CD1-CB 3.63Å; Y197-P205 HydrophobicContact CD1-CG 4.17Å; Y197-P205 HydrophobicContact CD2-CB 4.28Å; Y197-P205 HydrophobicContact CE1-CB 4Å; Y197-P205 HydrophobicContact CG-CB 3.79Å; Y197-P205 HydrophobicContact CG-CG 4.43Å; Y197-Y223 HydrophobicContact CD2-CD2 4.09Å; Y197-Y223 HydrophobicContact CD2-CE2 4.47Å; Y197-Y223 AromaticContact CE2-CD2 3.85Å; Y197-Y223 HydrophobicContact CE2-CD2 3.85Å; Y197-Y223 HydrophobicContact CE2-CE2 4.45Å; Y197-A224 VanDerWaalsContact CE2-O 3.26Å; Y197-A224 WeakPolarHBondContact CE2-O 3.3Å; Y197-A224 PolarHBondContact OH-O 2.81Å; Y197-V226 HydrophobicContact CD2-CG2 3.6Å; Y197-V226 HydrophobicContact CE2-CG2 3.84Å; Y197-V238 HydrophobicContact CD2-CG1 4.26Å; Y197-F242 HydrophobicContact CD2-CE2 4.23Å; Y197-F242 HydrophobicContact CG-CE2 4.28Å
198E98Very high96.4Very high3 Ų319.1 Ų19.11%0.0149%0.091CC..Hα-helixtrans-58.3-44173.3-76174.587.800111.8I94 S133 Y172 C194 V195 C200 S201 L202 R203 H204I94-E198 HydrophobicContact CD1-CB 3.92Å; S133-E198 VanDerWaalsContact CB-OE1 3.23Å; S133-E198 WeakPolarHBondContact CB-OE1 3.49Å; S133-E198 PolarHBondContact OG-OE1 2.92Å; Y172-E198 WeakPolarHBondContact CE1-OE2 3.37Å; Y172-E198 VanDerWaalsContact CZ-OE2 3.24Å; Y172-E198 PolarHBondContact OH-OE1 3.41Å; Y172-E198 PolarHBondContact OH-OE2 2.95Å; C194-E198 WeakPolarHBondContact O-CG 3.46Å; C194-E198 PolarHBondContact O-N 3.37Å; V195-E198 PolarHBondContact O-N 3.38Å; E198-C200 VanDerWaalsContact C-N 3.29Å; E198-C200 PolarHBondContact O-N 3.28Å; E198-S201 PolarHBondContact O-N 2.79Å; E198-L202 VanDerWaalsContact O-CA 3.25Å; E198-L202 WeakPolarHBondContact O-CA 3.43Å; E198-L202 PolarHBondContact O-N 2.78Å; E198-R203 WeakPolarHBondContact CA-O 2.9Å; E198-H204 IonicContact OE1-CE1 3.71Å; E198-H204 PolarHBondContact OE1-CE1 2.98Å; E198-H204 IonicContact OE1-ND1 4Å
199L98.3Very high96Very high0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-63-34.1176.1-75.1177000112.9L90 I94 F102 I107 W110 V195 L196 Y197L90-L199 HydrophobicContact CD1-CD2 4.09Å; L90-L199 HydrophobicContact CD2-CD1 4.29Å; L90-L199 HydrophobicContact CD2-CD2 4.05Å; L90-L199 HydrophobicContact CD2-CG 4.28Å; L90-L199 HydrophobicContact CG-CD2 4.15Å; I94-L199 HydrophobicContact CD1-CD2 4.37Å; I94-L199 HydrophobicContact CG1-CD2 4.28Å; F102-L199 HydrophobicContact CD2-CD2 4.38Å; F102-L199 WeakPolarHBondContact CD2-O 3.39Å; F102-L199 HydrophobicContact CE2-CD2 4.22Å; I107-L199 WeakPolarHBondContact CD1-O 3.43Å; I107-L199 HydrophobicContact CG1-CB 4.24Å; I107-L199 HydrophobicContact CG2-CB 3.95Å; I107-L199 HydrophobicContact CG2-CD1 4.26Å; W110-L199 HydrophobicContact CE3-CD2 3.71Å; W110-L199 HydrophobicContact CZ3-CD2 3.88Å; V195-L199 WeakPolarHBondContact O-CG 3.33Å; V195-L199 PolarHBondContact O-N 2.74Å; V195-L199 VanDerWaalsContact O-N 3.09Å; L196-L199 PolarHBondContact O-N 3.35Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-L199 PolarHBondContact O-N 2.88Å
200C98.1Very high95.5Very high1 Ų129.3 Ų29.31%0.00715%0.149CC..Hα-helixtrans-79.6-38.3178.5-61.20000113.1L196 Y197 E198 V226 Y230L196-C200 PolarHBondContact O-N 2.83Å; L196-C200 VanDerWaalsContact O-N 3.11Å; L196-C200 PolarHBondContact O-SG 2.95Å; Y197-C200 PolarHBondContact O-N 3.41Å; E198-C200 VanDerWaalsContact C-N 3.29Å; E198-C200 PolarHBondContact O-N 3.28Å; C200-V226 HydrophobicContact CB-CG1 3.81Å; C200-Y230 HydrophobicContact CB-CD2 4.22Å; C200-Y230 HydrophobicContact CB-CE2 3.76Å; C200-Y230 WeakPolarHBondContact O-CE2 3.4Å; C200-Y230 PolarHBondContact O-OH 3.43Å
201S96.8Very high94.9Very high22 Ų2232.9 Ų32.915%0.15417%0.168CC..Hα-helixtrans-109.4-18.2-166.469.40000115.2Y197 E198 R203Y197-S201 VanDerWaalsContact CD1-OG 3.29Å; Y197-S201 WeakPolarHBondContact CD1-OG 3.34Å; Y197-S201 WeakPolarHBondContact CE1-OG 3.46Å; Y197-S201 WeakPolarHBondContact O-CB 3.46Å; Y197-S201 PolarHBondContact O-N 2.61Å; Y197-S201 PolarHBondContact O-OG 2.97Å; E198-S201 PolarHBondContact O-N 2.79Å; S201-R203 PolarHBondContact O-N 2.77Å; S201-R203 PolarHBondContact OG-N 2.67Å; S201-R203 VanDerWaalsContact OG-N 3.12Å; S201-R203 PolarHBondContact OG-O 2.65Å; S201-R203 VanDerWaalsContact OG-O 3.08Å
202L96.8Very high94.4Very high35 Ų3543 Ų4318%0.18321%0.205CC..SBendtrans59.724-167.7-44.5174.5000114I94 Q97 G99 I100 F102 E198I94-L202 HydrophobicContact CG2-CB 4.16Å; I94-L202 HydrophobicContact CG2-CD2 3.97Å; Q97-L202 HydrophobicContact CB-CD1 3.99Å; Q97-L202 HydrophobicContact CB-CD2 4.31Å; Q97-L202 HydrophobicContact CG-CD2 4.3Å; G99-L202 VanDerWaalsContact C-CD1 3.5Å; I100-L202 WeakPolarHBondContact O-CD1 3.33Å; F102-L202 HydrophobicContact CD2-CD2 3.76Å; F102-L202 HydrophobicContact CE2-CD2 3.59Å; E198-L202 VanDerWaalsContact O-CA 3.25Å; E198-L202 WeakPolarHBondContact O-CA 3.43Å; E198-L202 PolarHBondContact O-N 2.78Å
203R94.7Very high94Very high179 Ų17947.6 Ų47.668%0.67523%0.227SC*.SBendtrans-142.2168.9-179.3-62.1-176-176.6171-0.1110.9Y197 E198 S201Y197-R203 WeakPolarHBondContact CD1-O 3.5Å; E198-R203 WeakPolarHBondContact CA-O 2.9Å; S201-R203 PolarHBondContact O-N 2.77Å; S201-R203 PolarHBondContact OG-N 2.67Å; S201-R203 VanDerWaalsContact OG-N 3.12Å; S201-R203 PolarHBondContact OG-O 2.65Å; S201-R203 VanDerWaalsContact OG-O 3.08Å
204H95.5Very high93.7Very high35 Ų3547.6 Ų47.616%0.16223%0.227CC..  trans-81.8149.8172.4-64-55.8000110.8Y171 Y197 E198 E207Y171-H204 HydrophobicContact CD1-CB 3.74Å; Y171-H204 AromaticContact CD1-CD2 3.55Å; Y171-H204 AromaticContact CD1-CG 3.73Å; Y171-H204 AromaticContact CD2-CD2 3.46Å; Y171-H204 VanDerWaalsContact CD2-CD2 3.46Å; Y171-H204 WeakPolarHBondContact CD2-CD2 3.4Å; Y171-H204 AromaticContact CD2-NE2 3.53Å; Y171-H204 HydrophobicContact CE1-CB 4.42Å; Y171-H204 AromaticContact CE1-CD2 3.81Å; Y171-H204 AromaticContact CE2-CD2 3.73Å; Y171-H204 AromaticContact CE2-NE2 3.9Å; Y171-H204 HydrophobicContact CG-CB 4.03Å; Y171-H204 AromaticContact CG-CD2 3.37Å; Y171-H204 AromaticContact CG-CG 3.57Å; Y171-H204 AromaticContact CG-NE2 3.84Å; Y171-H204 AromaticContact CZ-CD2 3.89Å; Y197-H204 WeakPolarHBondContact CE1-O 3.47Å; E198-H204 IonicContact OE1-CE1 3.71Å; E198-H204 PolarHBondContact OE1-CE1 2.98Å; E198-H204 IonicContact OE1-ND1 4Å; H204-E207 HydrophobicContact CB-CG 3.9Å; H204-E207 PolarHBondContact N-OE1 2.82Å
205P96Very high93.3Very high8 Ų849.7 Ų49.75%0.05224%0.239CC..SBendtrans-69.4-36.9-179.526.2-34.2000112.5C194 Y197 Y223 F242C194-P205 HydrophobicContact CB-CG 4.14Å; Y197-P205 HydrophobicContact CD1-CB 3.63Å; Y197-P205 HydrophobicContact CD1-CG 4.17Å; Y197-P205 HydrophobicContact CD2-CB 4.28Å; Y197-P205 HydrophobicContact CE1-CB 4Å; Y197-P205 HydrophobicContact CG-CB 3.79Å; Y197-P205 HydrophobicContact CG-CG 4.43Å; P205-Y223 WeakPolarHBondContact O-CB 3.42Å; P205-F242 HydrophobicContact CB-CE1 4.48Å; P205-F242 HydrophobicContact CB-CE2 3.89Å; P205-F242 HydrophobicContact CB-CZ 3.66Å; P205-F242 HydrophobicContact CG-CE1 4.24Å; P205-F242 HydrophobicContact CG-CE2 4.42Å; P205-F242 HydrophobicContact CG-CZ 3.68Å
206F95.3Very high93.1Very high0 Ų052 Ų520%026%0.256CS..SBendtrans-120114.9-178.4-50.7-75.1000108.9Y171 W190 L214 K217 I218 Y223 F242Y171-F206 WeakPolarHBondContact CD1-O 3.48Å; W190-F206 AromaticContact CE2-CE2 3.85Å; W190-F206 AromaticContact CH2-CE2 3.95Å; W190-F206 HydrophobicContact CH2-CE2 3.95Å; W190-F206 AromaticContact CH2-CZ 3.69Å; W190-F206 HydrophobicContact CH2-CZ 3.69Å; W190-F206 HydrophobicContact CZ2-CD2 4.05Å; W190-F206 HydrophobicContact CZ2-CE1 4.41Å; W190-F206 AromaticContact CZ2-CE2 3.21Å; W190-F206 HydrophobicContact CZ2-CE2 3.21Å; W190-F206 AromaticContact CZ2-CZ 3.44Å; W190-F206 HydrophobicContact CZ2-CZ 3.44Å; W190-F206 VanDerWaalsContact CZ2-CZ 3.44Å; F206-L214 VanDerWaalsContact C-CD1 3.48Å; F206-L214 HydrophobicContact CB-CD1 3.74Å; F206-L214 WeakPolarHBondContact O-CD1 3.46Å; F206-K217 HydrophobicContact CD1-CB 4.18Å; F206-I218 HydrophobicContact CB-CD1 4.39Å; F206-I218 HydrophobicContact CB-CG1 3.7Å; F206-I218 HydrophobicContact CD1-CG1 4.2Å; F206-I218 HydrophobicContact CD2-CG1 3.86Å; F206-I218 HydrophobicContact CG-CG1 3.64Å; F206-Y223 HydrophobicContact CE1-CD1 4.11Å; F206-Y223 HydrophobicContact CE1-CG 4.37Å; F206-Y223 HydrophobicContact CZ-CD1 4.04Å; F206-Y223 HydrophobicContact CZ-CG 4.4Å; F206-F242 HydrophobicContact CE2-CD1 4.04Å; F206-F242 AromaticContact CE2-CE1 3.95Å; F206-F242 HydrophobicContact CE2-CE1 3.95Å; F206-F242 HydrophobicContact CE2-CZ 4.37Å; F206-F242 HydrophobicContact CZ-CD1 4.24Å; F206-F242 HydrophobicContact CZ-CG 4.36Å
207E90Very high92.9Very high83 Ų8356.2 Ų56.239%0.38827%0.274SS..  trans-133.4143.4178.9-64178.4177.600109Y171 H204 K217Y171-E207 HydrophobicContact CD1-CG 4.37Å; Y171-E207 HydrophobicContact CE1-CG 4.09Å; H204-E207 HydrophobicContact CB-CG 3.9Å; H204-E207 PolarHBondContact N-OE1 2.82Å; E207-K217 WeakPolarHBondContact O-CD 3.31Å; E207-K217 WeakPolarHBondContact O-CE 3.29Å; E207-K217 PolarHBondContact O-NZ 2.93Å
208G86.1Confident92.7Very high17 Ų1755.6 Ų55.618%0.17527%0.272CS..  trans-165.9155.1-18000000112.7S210G208-S210 PolarHBondContact O-N 3.03Å; G208-S210 VanDerWaalsContact O-N 3.09Å
209N86.4Confident92.5Very high158 Ų15857.3 Ų57.385%0.84528%0.284SS*.SBendtrans-77.83.5-169.1-55.28.8000112.8
210S87.3Confident92.4Very high55 Ų5566.5 Ų66.539%0.38532%0.318SS..SBendtrans-158.9158.4171.560.20000109.9G208 R212 Q213 L214G208-S210 PolarHBondContact O-N 3.03Å; G208-S210 VanDerWaalsContact O-N 3.09Å; S210-R212 PolarHBondContact O-N 3.44Å; S210-Q213 PolarHBondContact O-N 2.85Å; S210-Q213 PolarHBondContact OG-N 2.87Å; S210-L214 PolarHBondContact O-N 3.36Å
211L85.9Confident92.2Very high76 Ų7667.2 Ų67.240%0.39833%0.326SS..Hα-helixtrans-54.8-36.5175.1-177.760.4000112.2P170 L214 V215P170-L211 HydrophobicContact CG-CD1 3.66Å; L211-L214 HydrophobicContact CD1-CD2 4.28Å; L211-L214 PolarHBondContact O-N 3.35Å; L211-V215 HydrophobicContact CD1-CG2 4.19Å; L211-V215 HydrophobicContact CG-CG2 4.41Å; L211-V215 WeakPolarHBondContact O-CB 3.46Å; L211-V215 VanDerWaalsContact O-CG2 3.28Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 3.34Å
212R86.7Confident92Very high217 Ų21772.2 Ų72.282%0.81935%0.346SS*.Hα-helixtrans-64-41.3176.1-174.1-178.2-71.8-162.7-0.3112.4S210 S216S210-R212 PolarHBondContact O-N 3.44Å; R212-S216 WeakPolarHBondContact O-CB 3.48Å; R212-S216 PolarHBondContact O-N 3.48Å
213Q90.7Very high91.9Very high97 Ų9772.5 Ų72.545%0.45335%0.345SS..Hα-helixtrans-68.4-40.8175.7-74.3-179.8-0.300111.9S210 S216 K217S210-Q213 PolarHBondContact O-N 2.85Å; S210-Q213 PolarHBondContact OG-N 2.87Å; Q213-S216 PolarHBondContact O-N 2.9Å; Q213-K217 PolarHBondContact O-N 2.99Å
214L90.8Very high92Very high0 Ų066.8 Ų66.80%034%0.336CS..Hα-helixtrans-58.4-55.3175.3177.269.7000111.1T169 P170 F206 S210 L211 S216 K217 I218T169-L214 HydrophobicContact CG2-CD2 3.82Å; P170-L214 HydrophobicContact CG-CD2 3.86Å; F206-L214 VanDerWaalsContact C-CD1 3.48Å; F206-L214 HydrophobicContact CB-CD1 3.74Å; F206-L214 WeakPolarHBondContact O-CD1 3.46Å; S210-L214 PolarHBondContact O-N 3.36Å; L211-L214 HydrophobicContact CD1-CD2 4.28Å; L211-L214 PolarHBondContact O-N 3.35Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 3Å; L214-K217 PolarHBondContact O-N 3.39Å; L214-K217 VanDerWaalsContact O-N 3.07Å; L214-I218 HydrophobicContact CD1-CD1 4Å; L214-I218 HydrophobicContact CD1-CG1 4.45Å; L214-I218 HydrophobicContact CD2-CD1 4.31Å; L214-I218 HydrophobicContact CG-CD1 3.74Å; L214-I218 WeakPolarHBondContact O-CG1 3.35Å; L214-I218 PolarHBondContact O-N 3.31Å
215V90.9Very high92Very high44 Ų4470.6 Ų70.627%0.26736%0.364SS..Hα-helixtrans-55.3-42.9177.6166.60000111.1C178 L211 K217 I218 C219C178-V215 HydrophobicContact CB-CG1 3.99Å; C178-V215 HydrophobicContact CB-CG2 4.46Å; L211-V215 HydrophobicContact CD1-CG2 4.19Å; L211-V215 HydrophobicContact CG-CG2 4.41Å; L211-V215 WeakPolarHBondContact O-CB 3.46Å; L211-V215 VanDerWaalsContact O-CG2 3.28Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 3.34Å; V215-K217 VanDerWaalsContact C-N 3.35Å; V215-K217 PolarHBondContact O-N 2.94Å; V215-I218 PolarHBondContact O-N 2.96Å; V215-C219 PolarHBondContact O-N 2.9Å
216S92.8Very high92.1Very high50 Ų5070.8 Ų70.835%0.3537%0.365SS..Hα-helixtrans-62.8-36.6177.8-172.40000113.3R212 Q213 L214 R220R212-S216 WeakPolarHBondContact O-CB 3.48Å; R212-S216 PolarHBondContact O-N 3.48Å; Q213-S216 PolarHBondContact O-N 2.9Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 3Å; S216-R220 WeakPolarHBondContact O-CB 3.49Å; S216-R220 VanDerWaalsContact O-CD 3.3Å; S216-R220 WeakPolarHBondContact O-CD 3.46Å; S216-R220 WeakPolarHBondContact O-CG 3.43Å; S216-R220 PolarHBondContact O-N 3.32Å
217K94.6Very high92.1Very high87 Ų8772.5 Ų72.538%0.37838%0.376SS..Hα-helixtrans-71.1-42173.7-72-174.9-179.8-178.60112.4F206 E207 Q213 L214 V215 R220 G221 H222F206-K217 HydrophobicContact CD1-CB 4.18Å; E207-K217 WeakPolarHBondContact O-CD 3.31Å; E207-K217 WeakPolarHBondContact O-CE 3.29Å; E207-K217 PolarHBondContact O-NZ 2.93Å; Q213-K217 PolarHBondContact O-N 2.99Å; L214-K217 PolarHBondContact O-N 3.39Å; L214-K217 VanDerWaalsContact O-N 3.07Å; V215-K217 VanDerWaalsContact C-N 3.35Å; V215-K217 PolarHBondContact O-N 2.94Å; K217-R220 PolarHBondContact O-N 2.88Å; K217-G221 PolarHBondContact O-N 3.28Å; K217-G221 VanDerWaalsContact O-N 3.12Å; K217-H222 PolarHBondContact O-N 3.37Å
218I95.3Very high92.4Very high0 Ų073.3 Ų73.30%039%0.392CS..Hα-helixtrans-59.1-56.1177.8-70.7169.1000110.6L173 P175 W190 F206 L214 V215 R220 G221L173-I218 HydrophobicContact CB-CD1 4.11Å; P175-I218 HydrophobicContact CG-CG2 4.06Å; W190-I218 HydrophobicContact CZ2-CG2 3.89Å; F206-I218 HydrophobicContact CB-CD1 4.39Å; F206-I218 HydrophobicContact CB-CG1 3.7Å; F206-I218 HydrophobicContact CD1-CG1 4.2Å; F206-I218 HydrophobicContact CD2-CG1 3.86Å; F206-I218 HydrophobicContact CG-CG1 3.64Å; L214-I218 HydrophobicContact CD1-CD1 4Å; L214-I218 HydrophobicContact CD1-CG1 4.45Å; L214-I218 HydrophobicContact CD2-CD1 4.31Å; L214-I218 HydrophobicContact CG-CD1 3.74Å; L214-I218 WeakPolarHBondContact O-CG1 3.35Å; L214-I218 PolarHBondContact O-N 3.31Å; V215-I218 PolarHBondContact O-N 2.96Å; I218-R220 PolarHBondContact O-N 3.24Å; I218-R220 VanDerWaalsContact O-N 3.15Å; I218-G221 PolarHBondContact O-N 2.85Å
219C94.3Very high92.9Very high39 Ų3979.9 Ų79.926%0.26441%0.411SS..Hα-helixtrans-64-20.6-179.8-65.90000113.6V215V215-C219 PolarHBondContact O-N 2.9Å
220R94.9Very high93.4Very high193 Ų19372.8 Ų72.873%0.72837%0.372SS*.THydrogen-bonded Turntrans-87.7-7.3172.3-71.7174.2-179.5-169.2-0.4113.8S216 K217 I218 H222S216-R220 WeakPolarHBondContact O-CB 3.49Å; S216-R220 VanDerWaalsContact O-CD 3.3Å; S216-R220 WeakPolarHBondContact O-CD 3.46Å; S216-R220 WeakPolarHBondContact O-CG 3.43Å; S216-R220 PolarHBondContact O-N 3.32Å; K217-R220 PolarHBondContact O-N 2.88Å; I218-R220 PolarHBondContact O-N 3.24Å; I218-R220 VanDerWaalsContact O-N 3.15Å; R220-H222 HydrophobicContact CB-CB 4.18Å; R220-H222 PolarHBondContact O-N 3.17Å
221G94.2Very high93.9Very high16 Ų1671.9 Ų71.917%0.16537%0.366CS..THydrogen-bonded Turntrans60.623.7-172.400000113.7K217 I218 Y223K217-G221 PolarHBondContact O-N 3.28Å; K217-G221 VanDerWaalsContact O-N 3.12Å; I218-G221 PolarHBondContact O-N 2.85Å; G221-Y223 VanDerWaalsContact O-CD1 3.29Å; G221-Y223 WeakPolarHBondContact O-CD1 3.2Å
222H93.2Very high94.4Very high127 Ų12774.2 Ų74.259%0.58838%0.375SS*.  trans-99.3100.4-170-170.980.5000112.1K217 R220K217-H222 PolarHBondContact O-N 3.37Å; R220-H222 HydrophobicContact CB-CB 4.18Å; R220-H222 PolarHBondContact O-N 3.17Å
223Y95.6Very high94.9Very high41 Ų4167.4 Ų67.416%0.16136%0.355CS..  trans-122.7162.4176.562.1-76.9000110.1Y197 P205 F206 G221 V238 T239 F242Y197-Y223 HydrophobicContact CD2-CD2 4.09Å; Y197-Y223 HydrophobicContact CD2-CE2 4.47Å; Y197-Y223 AromaticContact CE2-CD2 3.85Å; Y197-Y223 HydrophobicContact CE2-CD2 3.85Å; Y197-Y223 HydrophobicContact CE2-CE2 4.45Å; P205-Y223 WeakPolarHBondContact O-CB 3.42Å; F206-Y223 HydrophobicContact CE1-CD1 4.11Å; F206-Y223 HydrophobicContact CE1-CG 4.37Å; F206-Y223 HydrophobicContact CZ-CD1 4.04Å; F206-Y223 HydrophobicContact CZ-CG 4.4Å; G221-Y223 VanDerWaalsContact O-CD1 3.29Å; G221-Y223 WeakPolarHBondContact O-CD1 3.2Å; Y223-V238 HydrophobicContact CE2-CG1 4.17Å; Y223-T239 WeakPolarHBondContact OH-CA 3.46Å; Y223-T239 PolarHBondContact OH-OG1 3.31Å; Y223-F242 HydrophobicContact CD1-CB 4.4Å; Y223-F242 AromaticContact CD1-CD2 3.89Å; Y223-F242 HydrophobicContact CD1-CD2 3.89Å; Y223-F242 HydrophobicContact CD1-CG 4.41Å; Y223-F242 HydrophobicContact CD2-CD2 4.14Å; Y223-F242 HydrophobicContact CD2-CE2 4.2Å; Y223-F242 HydrophobicContact CE1-CB 3.9Å; Y223-F242 AromaticContact CE1-CD2 3.67Å; Y223-F242 HydrophobicContact CE1-CD2 3.67Å; Y223-F242 HydrophobicContact CE1-CG 4.19Å; Y223-F242 AromaticContact CE2-CD2 3.91Å; Y223-F242 HydrophobicContact CE2-CD2 3.91Å; Y223-F242 HydrophobicContact CE2-CE2 4.24Å; Y223-F242 HydrophobicContact CG-CD2 4.16Å; Y223-F242 HydrophobicContact CG-CE2 4.39Å; Y223-F242 AromaticContact CZ-CD2 3.69Å
224A96.4Very high95.2Very high59 Ų5962.9 Ų62.949%0.48833%0.333SS..PPolyproline II helixtrans-71.6137.1175.200000110.5Y197Y197-A224 VanDerWaalsContact CE2-O 3.26Å; Y197-A224 WeakPolarHBondContact CE2-O 3.3Å; Y197-A224 PolarHBondContact OH-O 2.81Å
225P95.7Very high95.6Very high115 Ų11567 Ų6775%0.74735%0.349SS*.PPolyproline II helixtrans-57.9141.6-179.1-27.535.7000113.6
226V96.9Very high95.9Very high12 Ų1268 Ų687%0.07335%0.352CS..PPolyproline II helixtrans-61.2132.2174.11700000109.7Y197 C200 Y230 R235 V238Y197-V226 HydrophobicContact CD2-CG2 3.6Å; Y197-V226 HydrophobicContact CE2-CG2 3.84Å; C200-V226 HydrophobicContact CB-CG1 3.81Å; V226-Y230 HydrophobicContact CG1-CD2 3.7Å; V226-Y230 HydrophobicContact CG1-CE2 4.33Å; V226-R235 HydrophobicContact CB-CG 3.95Å; V226-R235 HydrophobicContact CG1-CG 3.76Å; V226-R235 WeakPolarHBondContact O-CD 3.43Å; V226-V238 HydrophobicContact CG2-CB 4.19Å; V226-V238 HydrophobicContact CG2-CG1 3.84Å; V226-V238 HydrophobicContact CG2-CG2 4.23Å
227P95.3Very high96.2Very high36 Ų3665.6 Ų65.623%0.23434%0.336CS..PPolyproline II helixtrans-52.2138.5-174.1-31.936.9000115.1R229 Y230P227-R229 HydrophobicContact CB-CG 4Å; P227-R229 PolarHBondContact O-N 3.16Å; P227-Y230 HydrophobicContact CB-CD2 4.37Å; P227-Y230 HydrophobicContact CB-CE2 4.28Å; P227-Y230 HydrophobicContact CG-CE2 4.48Å; P227-Y230 VanDerWaalsContact O-CD2 3.31Å; P227-Y230 WeakPolarHBondContact O-CD2 3.32Å; P227-Y230 PolarHBondContact O-N 2.82Å
228S96.4Very high96.4Very high101 Ų10161.4 Ų61.471%0.70632%0.318SS*.THydrogen-bonded Turntrans-62.2-12-174.951.20000116Y230S228-Y230 PolarHBondContact O-N 3.11Å
229R95.9Very high96.5Very high155 Ų15564.5 Ų64.559%0.58534%0.337SS*.THydrogen-bonded Turntrans-64.7-15.6173.259.9171.3148.9-87.71.4114.7P227P227-R229 HydrophobicContact CB-CG 4Å; P227-R229 PolarHBondContact O-N 3.16Å
230Y97.8Very high96.7Very high9 Ų965.1 Ų65.14%0.03534%0.336CS..SBendtrans-96.2156.7176.4-56.2-67.1000111.2P101 E104 I107 C200 V226 P227 S228 L234 R235P101-Y230 WeakPolarHBondContact CB-OH 3.16Å; E104-Y230 HydrophobicContact CB-CD1 4.21Å; E104-Y230 VanDerWaalsContact OE2-CA 3.27Å; E104-Y230 WeakPolarHBondContact OE2-CA 3.43Å; E104-Y230 WeakPolarHBondContact OE2-CB 3.26Å; I107-Y230 HydrophobicContact CD1-CD1 4.33Å; I107-Y230 HydrophobicContact CD1-CE1 3.6Å; C200-Y230 HydrophobicContact CB-CD2 4.22Å; C200-Y230 HydrophobicContact CB-CE2 3.76Å; C200-Y230 WeakPolarHBondContact O-CE2 3.4Å; C200-Y230 PolarHBondContact O-OH 3.43Å; V226-Y230 HydrophobicContact CG1-CD2 3.7Å; V226-Y230 HydrophobicContact CG1-CE2 4.33Å; P227-Y230 HydrophobicContact CB-CD2 4.37Å; P227-Y230 HydrophobicContact CB-CE2 4.28Å; P227-Y230 HydrophobicContact CG-CE2 4.48Å; P227-Y230 VanDerWaalsContact O-CD2 3.31Å; P227-Y230 WeakPolarHBondContact O-CD2 3.32Å; P227-Y230 PolarHBondContact O-N 2.82Å; S228-Y230 PolarHBondContact O-N 3.11Å; Y230-L234 HydrophobicContact CD1-CD2 4.13Å; Y230-L234 HydrophobicContact CG-CD2 4.08Å; Y230-R235 PolarHBondContact O-NE 2.96Å; Y230-R235 PolarHBondContact O-NH2 2.86Å
231S97.4Very high96.9Very high36 Ų3656 Ų5625%0.25230%0.301SS..  trans-53.4159.1179.164.80000113.1E104 D233 L234 R235E104-S231 WeakPolarHBondContact OE1-CB 3.48Å; E104-S231 PolarHBondContact OE1-OG 3.33Å; E104-S231 PolarHBondContact OE2-N 3.25Å; S231-D233 VanDerWaalsContact C-N 3.3Å; S231-L234 WeakPolarHBondContact OG-CB 3.43Å; S231-L234 PolarHBondContact OG-N 2.6Å; S231-L234 VanDerWaalsContact OG-N 3.13Å; S231-R235 WeakPolarHBondContact O-CG 3.25Å; S231-R235 PolarHBondContact O-N 3.32Å; S231-R235 PolarHBondContact O-NE 3.31Å; S231-R235 VanDerWaalsContact O-NE 3.17Å
232H97.3Very high97.1Very high124 Ų12455.5 Ų55.557%0.57430%0.295SS*.Hα-helixtrans-59.2-46.4169.8-176.998.5000110.1L234 R235 L236H232-L234 PolarHBondContact O-N 2.76Å; H232-R235 PolarHBondContact O-N 3.05Å; H232-R235 VanDerWaalsContact O-N 3.11Å; H232-L236 WeakPolarHBondContact O-CB 3.28Å; H232-L236 PolarHBondContact O-N 3.04Å
233D96.8Very high97.3Very high75 Ų7553.7 Ų53.740%0.40129%0.285SS..Hα-helixtrans-54.4-44.7-178.6-65-7.7000113.7S231 L237 F260S231-D233 VanDerWaalsContact C-N 3.3Å; D233-L237 WeakPolarHBondContact O-CB 3.49Å; D233-L237 PolarHBondContact O-N 3Å; D233-F260 HydrophobicContact CB-CB 4.39Å; D233-F260 HydrophobicContact CB-CD1 3.63Å; D233-F260 HydrophobicContact CB-CD2 4.16Å; D233-F260 HydrophobicContact CB-CE1 3.76Å; D233-F260 HydrophobicContact CB-CE2 4.28Å; D233-F260 HydrophobicContact CB-CG 3.83Å; D233-F260 HydrophobicContact CB-CZ 4.08Å
234L97.8Very high97.4Very high1 Ų154.4 Ų54.41%0.00529%0.293CS..Hα-helixtrans-67.4-40.6178.6-16869.2000111.8E104 I107 L196 Y230 S231 H232 L237 V238 F260E104-L234 HydrophobicContact CG-CD2 4.08Å; I107-L234 HydrophobicContact CG2-CD2 4.49Å; L196-L234 HydrophobicContact CD1-CD1 4.11Å; L196-L234 HydrophobicContact CD2-CD1 4.31Å; Y230-L234 HydrophobicContact CD1-CD2 4.13Å; Y230-L234 HydrophobicContact CG-CD2 4.08Å; S231-L234 WeakPolarHBondContact OG-CB 3.43Å; S231-L234 PolarHBondContact OG-N 2.6Å; S231-L234 VanDerWaalsContact OG-N 3.13Å; H232-L234 PolarHBondContact O-N 2.76Å; L234-L237 PolarHBondContact O-N 2.91Å; L234-V238 WeakPolarHBondContact O-CG2 3.35Å; L234-V238 PolarHBondContact O-N 2.86Å; L234-V238 VanDerWaalsContact O-N 3.1Å; L234-F260 HydrophobicContact CD1-CE2 4.22Å
235R98.2Very high97.3Very high86 Ų8655 Ų5533%0.32529%0.289SS..Hα-helixtrans-68.3-41.3178.4-68.8-174-84151.2-10.4111.5V226 Y230 S231 H232 V238 T239V226-R235 HydrophobicContact CB-CG 3.95Å; V226-R235 HydrophobicContact CG1-CG 3.76Å; V226-R235 WeakPolarHBondContact O-CD 3.43Å; Y230-R235 PolarHBondContact O-NE 2.96Å; Y230-R235 PolarHBondContact O-NH2 2.86Å; S231-R235 WeakPolarHBondContact O-CG 3.25Å; S231-R235 PolarHBondContact O-N 3.32Å; S231-R235 PolarHBondContact O-NE 3.31Å; S231-R235 VanDerWaalsContact O-NE 3.17Å; H232-R235 PolarHBondContact O-N 3.05Å; H232-R235 VanDerWaalsContact O-N 3.11Å; R235-V238 PolarHBondContact O-N 3.4Å; R235-T239 PolarHBondContact O-N 3.47Å; R235-T239 PolarHBondContact O-OG1 3.04Å
236L97.8Very high97.3Very high65 Ų6550.7 Ų50.734%0.3426%0.26SS..Hα-helixtrans-64.1-42.3174.9179.759.6000111.4H232 T239 Q240H232-L236 WeakPolarHBondContact O-CB 3.28Å; H232-L236 PolarHBondContact O-N 3.04Å; L236-T239 WeakPolarHBondContact O-CB 3.38Å; L236-T239 PolarHBondContact O-N 2.78Å; L236-Q240 HydrophobicContact CD1-CG 4.38Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.18Å
237L98.3Very high97.3Very high0 Ų058.1 Ų58.10%029%0.287CS..Hα-helixtrans-59.1-49174.3174.859.3000111.6F111 L196 D233 L234 T239 Q240 L241 V255 F260 L261F111-L237 HydrophobicContact CE1-CD2 3.72Å; F111-L237 HydrophobicContact CZ-CD2 4.13Å; L196-L237 HydrophobicContact CD2-CD2 3.91Å; L196-L237 HydrophobicContact CD2-CG 4.08Å; D233-L237 WeakPolarHBondContact O-CB 3.49Å; D233-L237 PolarHBondContact O-N 3Å; L234-L237 PolarHBondContact O-N 2.91Å; L237-T239 PolarHBondContact O-N 2.89Å; L237-Q240 PolarHBondContact O-N 3.29Å; L237-Q240 VanDerWaalsContact O-N 3.07Å; L237-L241 HydrophobicContact CD1-CD1 4.16Å; L237-L241 HydrophobicContact CD1-CD2 4.39Å; L237-L241 HydrophobicContact CD1-CG 4.08Å; L237-L241 HydrophobicContact CG-CD1 4.1Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CG 2.77Å; L237-L241 PolarHBondContact O-N 3.45Å; L237-V255 HydrophobicContact CD1-CG1 4.07Å; L237-V255 HydrophobicContact CD1-CG2 4.15Å; L237-V255 HydrophobicContact CD2-CG1 4.31Å; L237-F260 HydrophobicContact CB-CZ 4.27Å; L237-F260 HydrophobicContact CD2-CE1 4.5Å; L237-F260 HydrophobicContact CD2-CZ 3.81Å; L237-L261 HydrophobicContact CD2-CD1 4.03Å
238V98.4Very high97.4Very high0 Ų060.7 Ų60.70%030%0.299CS..Hα-helixtrans-57.6-40.4175.7172.20000111.4L196 Y197 Y223 V226 L234 R235 Q240 L241 F242L196-V238 HydrophobicContact CB-CG2 4.39Å; L196-V238 HydrophobicContact CD2-CG2 3.59Å; L196-V238 HydrophobicContact CG-CG2 3.72Å; Y197-V238 HydrophobicContact CD2-CG1 4.26Å; Y223-V238 HydrophobicContact CE2-CG1 4.17Å; V226-V238 HydrophobicContact CG2-CB 4.19Å; V226-V238 HydrophobicContact CG2-CG1 3.84Å; V226-V238 HydrophobicContact CG2-CG2 4.23Å; L234-V238 WeakPolarHBondContact O-CG2 3.35Å; L234-V238 PolarHBondContact O-N 2.86Å; L234-V238 VanDerWaalsContact O-N 3.1Å; R235-V238 PolarHBondContact O-N 3.4Å; V238-Q240 VanDerWaalsContact C-N 3.28Å; V238-Q240 PolarHBondContact O-N 3.32Å; V238-L241 PolarHBondContact O-N 3.21Å; V238-F242 HydrophobicContact CG1-CD2 3.64Å; V238-F242 HydrophobicContact CG1-CE2 3.51Å; V238-F242 WeakPolarHBondContact O-CD2 3.48Å; V238-F242 PolarHBondContact O-N 2.75Å; V238-F242 VanDerWaalsContact O-N 3.08Å
239T97.9Very high97.5Very high65 Ų6556 Ų5640%0.39927%0.265SS..Hα-helixtrans-63.3-34.1177.4-55.20000112.7Y223 R235 L236 L237Y223-T239 WeakPolarHBondContact OH-CA 3.46Å; Y223-T239 PolarHBondContact OH-OG1 3.31Å; R235-T239 PolarHBondContact O-N 3.47Å; R235-T239 PolarHBondContact O-OG1 3.04Å; L236-T239 WeakPolarHBondContact O-CB 3.38Å; L236-T239 PolarHBondContact O-N 2.78Å; L237-T239 PolarHBondContact O-N 2.89Å
240Q98.1Very high97.6Very high52 Ų5249.2 Ų49.224%0.24324%0.242CC..Hα-helixtrans-81.4-28.6178.7-71.3166.3-2600112.7L236 L237 V238 P250L236-Q240 HydrophobicContact CD1-CG 4.38Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.18Å; L237-Q240 PolarHBondContact O-N 3.29Å; L237-Q240 VanDerWaalsContact O-N 3.07Å; V238-Q240 VanDerWaalsContact C-N 3.28Å; V238-Q240 PolarHBondContact O-N 3.32Å; Q240-P250 WeakPolarHBondContact O-CD 3.41Å
241L98.4Very high97.5Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-70.2-33.4171.4-63.5171000111.9F111 I189 L196 L237 V238 K243 P250 V255F111-L241 HydrophobicContact CE2-CD1 4.5Å; F111-L241 HydrophobicContact CZ-CD1 4.17Å; I189-L241 HydrophobicContact CG2-CD2 3.4Å; L196-L241 HydrophobicContact CD2-CD1 3.91Å; L237-L241 HydrophobicContact CD1-CD1 4.16Å; L237-L241 HydrophobicContact CD1-CD2 4.39Å; L237-L241 HydrophobicContact CD1-CG 4.08Å; L237-L241 HydrophobicContact CG-CD1 4.1Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CG 2.77Å; L237-L241 PolarHBondContact O-N 3.45Å; V238-L241 PolarHBondContact O-N 3.21Å; L241-K243 PolarHBondContact O-N 2.74Å; L241-P250 HydrophobicContact CD2-CG 4.34Å; L241-V255 HydrophobicContact CD2-CG2 4.18Å
242F98.4Very high97.5Very high7 Ų747.4 Ų47.43%0.03123%0.23CC..THydrogen-bonded Turntrans-91.523.9176.6-63.9-42.6000115.1W190 G193 Y197 P205 F206 Y223 V238 V244W190-F242 HydrophobicContact CD2-CD1 4.01Å; W190-F242 HydrophobicContact CE3-CD1 4.05Å; W190-F242 HydrophobicContact CH2-CB 4.46Å; W190-F242 HydrophobicContact CH2-CD1 4.32Å; W190-F242 HydrophobicContact CZ2-CD1 4.25Å; W190-F242 HydrophobicContact CZ3-CB 4.12Å; W190-F242 HydrophobicContact CZ3-CD1 4.22Å; W190-F242 WeakPolarHBondContact CZ3-O 3.33Å; G193-F242 VanDerWaalsContact C-CE1 3.49Å; G193-F242 WeakPolarHBondContact O-CZ 3.4Å; Y197-F242 HydrophobicContact CD2-CE2 4.23Å; Y197-F242 HydrophobicContact CG-CE2 4.28Å; P205-F242 HydrophobicContact CB-CE1 4.48Å; P205-F242 HydrophobicContact CB-CE2 3.89Å; P205-F242 HydrophobicContact CB-CZ 3.66Å; P205-F242 HydrophobicContact CG-CE1 4.24Å; P205-F242 HydrophobicContact CG-CE2 4.42Å; P205-F242 HydrophobicContact CG-CZ 3.68Å; F206-F242 HydrophobicContact CE2-CD1 4.04Å; F206-F242 AromaticContact CE2-CE1 3.95Å; F206-F242 HydrophobicContact CE2-CE1 3.95Å; F206-F242 HydrophobicContact CE2-CZ 4.37Å; F206-F242 HydrophobicContact CZ-CD1 4.24Å; F206-F242 HydrophobicContact CZ-CG 4.36Å; Y223-F242 HydrophobicContact CD1-CB 4.4Å; Y223-F242 AromaticContact CD1-CD2 3.89Å; Y223-F242 HydrophobicContact CD1-CD2 3.89Å; Y223-F242 HydrophobicContact CD1-CG 4.41Å; Y223-F242 HydrophobicContact CD2-CD2 4.14Å; Y223-F242 HydrophobicContact CD2-CE2 4.2Å; Y223-F242 HydrophobicContact CE1-CB 3.9Å; Y223-F242 AromaticContact CE1-CD2 3.67Å; Y223-F242 HydrophobicContact CE1-CD2 3.67Å; Y223-F242 HydrophobicContact CE1-CG 4.19Å; Y223-F242 AromaticContact CE2-CD2 3.91Å; Y223-F242 HydrophobicContact CE2-CD2 3.91Å; Y223-F242 HydrophobicContact CE2-CE2 4.24Å; Y223-F242 HydrophobicContact CG-CD2 4.16Å; Y223-F242 HydrophobicContact CG-CE2 4.39Å; Y223-F242 AromaticContact CZ-CD2 3.69Å; V238-F242 HydrophobicContact CG1-CD2 3.64Å; V238-F242 HydrophobicContact CG1-CE2 3.51Å; V238-F242 WeakPolarHBondContact O-CD2 3.48Å; V238-F242 PolarHBondContact O-N 2.75Å; V238-F242 VanDerWaalsContact O-N 3.08Å; F242-V244 PolarHBondContact O-N 2.66Å
243K98.2Very high97.5Very high89 Ų8942.5 Ų42.539%0.38721%0.21SC..  trans-62.1129.2166.9-74-76.8-174.8169.60110L241 D248 R249L241-K243 PolarHBondContact O-N 2.74Å; K243-D248 HydrophobicContact CB-CB 3.7Å; K243-D248 HydrophobicContact CD-CB 4.08Å; K243-D248 HydrophobicContact CG-CB 3.84Å; K243-R249 HydrophobicContact CB-CG 4.02Å; K243-R249 PolarHBondContact O-NE 2.97Å; K243-R249 PolarHBondContact O-NH2 3.19Å
244V96.9Very high97.4Very high55 Ų5540.4 Ų40.433%0.33320%0.201SC..SBendtrans-63.9-49.1-175177.40000110.7P175 F242 P246 R249P175-V244 HydrophobicContact CB-CG1 3.98Å; P175-V244 HydrophobicContact CG-CG1 3.96Å; F242-V244 PolarHBondContact O-N 2.66Å; V244-P246 WeakPolarHBondContact O-CD 3.39Å; V244-R249 PolarHBondContact O-NH2 3.29Å
245N96.1Very high97.4Very high73 Ų7340.4 Ų40.439%0.3920%0.201SC..SBendtrans-63.8124.2169.6179.914.1000110.1R247 D248N245-R247 PolarHBondContact O-N 2.88Å; N245-R247 PolarHBondContact OD1-N 2.76Å; N245-D248 HydrophobicContact CB-CB 4.44Å; N245-D248 PolarHBondContact ND2-OD1 3.04Å; N245-D248 PolarHBondContact O-N 3.3Å
246P95.6Very high97.3Very high23 Ų2337.1 Ų37.115%0.14919%0.19CC..SBendtrans-60.5-32.2177.9-23.133.2000113.6E176 K186 V244 D248 R249E176-P246 HydrophobicContact CB-CG 4.11Å; E176-P246 HydrophobicContact CG-CG 4.02Å; K186-P246 HydrophobicContact CB-CB 3.88Å; K186-P246 VanDerWaalsContact CB-O 3.31Å; K186-P246 WeakPolarHBondContact CB-O 3.42Å; K186-P246 VanDerWaalsContact CG-O 3.25Å; K186-P246 WeakPolarHBondContact CG-O 3.32Å; V244-P246 WeakPolarHBondContact O-CD 3.39Å; P246-D248 PolarHBondContact O-N 3.16Å; P246-R249 WeakPolarHBondContact O-CB 3.2Å; P246-R249 PolarHBondContact O-N 3.11Å
247R95.6Very high97.1Very high168 Ų16841 Ų4163%0.63420%0.2SC*.THydrogen-bonded Turntrans-64.9-39-177-71.4-175.2166.9176.5-6.2112.1K186 N245 R249 E744K186-R247 PolarHBondContact NZ-O 3.22Å; N245-R247 PolarHBondContact O-N 2.88Å; N245-R247 PolarHBondContact OD1-N 2.76Å; R247-R249 PolarHBondContact O-N 2.84Å; R247-E744 IonicContact CZ-OE1 3.14Å; R247-E744 IonicContact CZ-OE2 3.17Å; R247-E744 IonicContact NE-OE1 3.89Å; R247-E744 IonicContact NH2-OE1 2.83Å; R247-E744 PolarHBondContact NH2-OE1 3.27Å; R247-E744 IonicContact NH2-OE2 2.84Å; R247-E744 PolarHBondContact NH2-OE2 3.27Å
248D97.3Very high96.9Very high90 Ų9043.2 Ų43.248%0.48121%0.208SC..THydrogen-bonded Turntrans-66.8-12.8177-553.4000114.2K243 N245 P246K243-D248 HydrophobicContact CB-CB 3.7Å; K243-D248 HydrophobicContact CD-CB 4.08Å; K243-D248 HydrophobicContact CG-CB 3.84Å; N245-D248 HydrophobicContact CB-CB 4.44Å; N245-D248 PolarHBondContact ND2-OD1 3.04Å; N245-D248 PolarHBondContact O-N 3.3Å; P246-D248 PolarHBondContact O-N 3.16Å
249R98.3Very high96.5Very high2 Ų247.6 Ų47.61%0.00824%0.237CC..SBendtrans-78.6133.2177.7-56.7177.3-160.5146.810.2109.4E176 K186 I189 K243 V244 P246 R247E176-R249 IonicContact OE1-CZ 3.66Å; E176-R249 IonicContact OE1-NH1 2.74Å; E176-R249 PolarHBondContact OE1-NH1 3.43Å; E176-R249 IonicContact OE1-NH2 3.79Å; E176-R249 IonicContact OE2-CZ 2.71Å; E176-R249 IonicContact OE2-NH1 3.98Å; E176-R249 PolarHBondContact OE2-NH1 3.17Å; E176-R249 VanDerWaalsContact OE2-NH1 3.17Å; E176-R249 IonicContact OE2-NH2 3.6Å; E176-R249 PolarHBondContact OE2-NH2 3.09Å; K186-R249 HydrophobicContact CB-CB 4.45Å; K186-R249 HydrophobicContact CD-CB 4.49Å; K186-R249 WeakPolarHBondContact CD-O 3.42Å; K186-R249 WeakPolarHBondContact CE-O 3.31Å; K186-R249 PolarHBondContact NZ-O 3.37Å; K186-R249 WeakPolarHBondContact O-CD 3.46Å; K186-R249 PolarHBondContact O-NH1 3.18Å; I189-R249 HydrophobicContact CG2-CB 4.04Å; K243-R249 HydrophobicContact CB-CG 4.02Å; K243-R249 PolarHBondContact O-NE 2.97Å; K243-R249 PolarHBondContact O-NH2 3.19Å; V244-R249 PolarHBondContact O-NH2 3.29Å; P246-R249 WeakPolarHBondContact O-CB 3.2Å; P246-R249 PolarHBondContact O-N 3.11Å; R247-R249 PolarHBondContact O-N 2.84Å
250P97.9Very high96.2Very high14 Ų1446.3 Ų46.39%0.09123%0.226CC..PPolyproline II helixtrans-65.8146.217828.3-35.1000111.3I189 Q240 L241 V255I189-P250 WeakPolarHBondContact CG2-O 3.43Å; Q240-P250 WeakPolarHBondContact O-CD 3.41Å; L241-P250 HydrophobicContact CD2-CG 4.34Å; P250-V255 HydrophobicContact CB-CG2 4.05Å; P250-V255 HydrophobicContact CG-CG2 3.74Å
251S97.6Very high95.9Very high4 Ų444 Ų443%0.02822%0.215CC..PPolyproline II helixtrans-67.3158.4168.571.30000111.3S253 S254 V255 D740S251-S253 PolarHBondContact O-N 3.22Å; S251-S254 CarbonylContact O-C 3.58Å; S251-S254 WeakPolarHBondContact O-CA 3.2Å; S251-S254 WeakPolarHBondContact O-CB 3.43Å; S251-S254 PolarHBondContact O-N 3.46Å; S251-S254 PolarHBondContact OG-N 3.4Å; S251-V255 PolarHBondContact O-N 2.68Å; S251-D740 WeakPolarHBondContact CB-OD2 3.39Å; S251-D740 PolarHBondContact OG-OD2 3.2Å; S251-D740 VanDerWaalsContact OG-OD2 3.08Å
252V97.3Very high95.2Very high2 Ų248.9 Ų48.91%0.01224%0.238CC..Hα-helixtrans-60.7-30.7179.363.60000112.2C115 L118 K119 H122 I189 V255 L256C115-V252 HydrophobicContact CB-CG2 3.91Å; C115-V252 WeakPolarHBondContact O-CG2 3.31Å; L118-V252 HydrophobicContact CB-CG2 4.21Å; L118-V252 HydrophobicContact CD2-CB 4.39Å; L118-V252 HydrophobicContact CD2-CG2 4.27Å; L118-V252 HydrophobicContact CG-CG2 4.33Å; K119-V252 HydrophobicContact CB-CG1 3.94Å; K119-V252 HydrophobicContact CB-CG2 4.22Å; K119-V252 HydrophobicContact CG-CG1 4.48Å; H122-V252 HydrophobicContact CB-CG1 4.15Å; I189-V252 HydrophobicContact CD1-CB 3.9Å; V252-V255 PolarHBondContact O-N 3.2Å; V252-L256 HydrophobicContact CG2-CD1 4.4Å; V252-L256 WeakPolarHBondContact O-CG 3.15Å; V252-L256 PolarHBondContact O-N 3.45Å; V252-L256 VanDerWaalsContact O-N 3.08Å
253S96Very high94.1Very high21 Ų2155.6 Ų55.615%0.14727%0.267CS..Hα-helixtrans-62.1-46.6169.6-61.20000111.7K119 S251 L256 R257K119-S253 PolarHBondContact NZ-OG 3.45Å; S251-S253 PolarHBondContact O-N 3.22Å; S253-L256 PolarHBondContact O-N 2.9Å; S253-R257 WeakPolarHBondContact O-CG 3.45Å; S253-R257 PolarHBondContact O-N 3.22Å
254S96.4Very high93.3Very high32 Ų3253.4 Ų53.422%0.22426%0.258CS..Hα-helixtrans-64.3-37.4176.2-175.20000112.8S251 R257S251-S254 CarbonylContact O-C 3.58Å; S251-S254 WeakPolarHBondContact O-CA 3.2Å; S251-S254 WeakPolarHBondContact O-CB 3.43Å; S251-S254 PolarHBondContact O-N 3.46Å; S251-S254 PolarHBondContact OG-N 3.4Å; S254-R257 PolarHBondContact O-N 3.44Å
255V97.2Very high92.5Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-61.3-47.1173.1174.60000111.6F111 L237 L241 P250 S251 V252 R257 R258 L261F111-V255 HydrophobicContact CE1-CG1 3.69Å; F111-V255 HydrophobicContact CZ-CG1 4.05Å; L237-V255 HydrophobicContact CD1-CG1 4.07Å; L237-V255 HydrophobicContact CD1-CG2 4.15Å; L237-V255 HydrophobicContact CD2-CG1 4.31Å; L241-V255 HydrophobicContact CD2-CG2 4.18Å; P250-V255 HydrophobicContact CB-CG2 4.05Å; P250-V255 HydrophobicContact CG-CG2 3.74Å; S251-V255 PolarHBondContact O-N 2.68Å; V252-V255 PolarHBondContact O-N 3.2Å; V255-R257 VanDerWaalsContact C-N 3.26Å; V255-R257 PolarHBondContact O-N 2.91Å; V255-R258 WeakPolarHBondContact O-CB 3.43Å; V255-R258 WeakPolarHBondContact O-CD 3.27Å; V255-R258 WeakPolarHBondContact O-CG 3.27Å; V255-R258 PolarHBondContact O-N 2.82Å; V255-L261 HydrophobicContact CG1-CD1 3.98Å; V255-L261 WeakPolarHBondContact O-CD1 3.46Å
256L95.6Very high91.5Very high17 Ų1751.3 Ų51.39%0.08925%0.251CS..Hα-helixtrans-66.3-22.6-178.4-76.1165.2000114.1C115 L116 K119 V252 S253 R258 V265C115-L256 HydrophobicContact CB-CD1 4.21Å; C115-L256 HydrophobicContact CB-CD2 3.71Å; C115-L256 HydrophobicContact CB-CG 3.9Å; L116-L256 HydrophobicContact CD2-CD1 4.21Å; L116-L256 HydrophobicContact CD2-CD2 4.3Å; L116-L256 HydrophobicContact CG-CD2 4.3Å; K119-L256 HydrophobicContact CB-CD1 4.05Å; K119-L256 HydrophobicContact CD-CD1 3.8Å; V252-L256 HydrophobicContact CG2-CD1 4.4Å; V252-L256 WeakPolarHBondContact O-CG 3.15Å; V252-L256 PolarHBondContact O-N 3.45Å; V252-L256 VanDerWaalsContact O-N 3.08Å; S253-L256 PolarHBondContact O-N 2.9Å; L256-R258 VanDerWaalsContact C-N 3.28Å; L256-R258 PolarHBondContact O-N 3.33Å; L256-V265 HydrophobicContact CD2-CG2 3.71Å
257R94.1Very high90.7Very high146 Ų14654.6 Ų54.655%0.55126%0.263SS*.THydrogen-bonded Turntrans-79.93.4177.3-69.9-175.4-60.4-127.98.6114.6S253 S254 V255 D737S253-R257 WeakPolarHBondContact O-CG 3.45Å; S253-R257 PolarHBondContact O-N 3.22Å; S254-R257 PolarHBondContact O-N 3.44Å; V255-R257 VanDerWaalsContact C-N 3.26Å; V255-R257 PolarHBondContact O-N 2.91Å; R257-D737 IonicContact NH2-OD1 2.71Å
258R93.5Very high89.8Confident47 Ų4747.1 Ų47.118%0.17724%0.235CC..  trans-76.5134-175.2-71.9171.4172.6-112.6-6112.1V255 L256 F260 L261 E262V255-R258 WeakPolarHBondContact O-CB 3.43Å; V255-R258 WeakPolarHBondContact O-CD 3.27Å; V255-R258 WeakPolarHBondContact O-CG 3.27Å; V255-R258 PolarHBondContact O-N 2.82Å; L256-R258 VanDerWaalsContact C-N 3.28Å; L256-R258 PolarHBondContact O-N 3.33Å; R258-F260 VanDerWaalsContact C-N 3.27Å; R258-F260 HydrophobicContact CB-CD1 4.05Å; R258-F260 HydrophobicContact CB-CE1 4.04Å; R258-F260 PolarHBondContact O-N 3.07Å; R258-L261 HydrophobicContact CB-CB 4.5Å; R258-L261 HydrophobicContact CB-CD1 4.45Å; R258-L261 HydrophobicContact CB-CG 4.46Å; R258-L261 CarbonylContact O-C 3.58Å; R258-L261 WeakPolarHBondContact O-CA 3.45Å; R258-L261 PolarHBondContact O-N 2.93Å; R258-E262 WeakPolarHBondContact O-CB 3.34Å; R258-E262 PolarHBondContact O-N 3.32Å
259P91.1Very high88.7Confident92 Ų9246.8 Ų46.860%0.59723%0.232SC*.Hα-helixtrans-55.5-31.8-171.2-30.535.9000116.4
260F91.6Very high87.1Confident39 Ų3950.6 Ų50.617%0.17126%0.259CS..Hα-helixtrans-76.3-29.5176.781.3-80.3000113.2V108 D233 L234 L237 R258V108-F260 HydrophobicContact CG2-CE2 4.43Å; D233-F260 HydrophobicContact CB-CB 4.39Å; D233-F260 HydrophobicContact CB-CD1 3.63Å; D233-F260 HydrophobicContact CB-CD2 4.16Å; D233-F260 HydrophobicContact CB-CE1 3.76Å; D233-F260 HydrophobicContact CB-CE2 4.28Å; D233-F260 HydrophobicContact CB-CG 3.83Å; D233-F260 HydrophobicContact CB-CZ 4.08Å; L234-F260 HydrophobicContact CD1-CE2 4.22Å; L237-F260 HydrophobicContact CB-CZ 4.27Å; L237-F260 HydrophobicContact CD2-CE1 4.5Å; L237-F260 HydrophobicContact CD2-CZ 3.81Å; R258-F260 VanDerWaalsContact C-N 3.27Å; R258-F260 HydrophobicContact CB-CD1 4.05Å; R258-F260 HydrophobicContact CB-CE1 4.04Å; R258-F260 PolarHBondContact O-N 3.07Å
261L91.1Very high85.5Confident2 Ų255.6 Ų55.61%0.0128%0.279CS..Hα-helixtrans-86.5-40176.6-61.7-177.9000112V108 F111 I112 L237 V255 R258 K263 H264 V265V108-L261 HydrophobicContact CB-CD2 4.49Å; V108-L261 HydrophobicContact CG1-CD2 3.76Å; V108-L261 HydrophobicContact CG2-CD2 4.17Å; F111-L261 HydrophobicContact CD1-CD1 4.32Å; F111-L261 HydrophobicContact CE1-CD1 4.12Å; I112-L261 HydrophobicContact CD1-CB 4.15Å; I112-L261 HydrophobicContact CD1-CD2 4.05Å; I112-L261 WeakPolarHBondContact CD1-O 3.42Å; I112-L261 HydrophobicContact CG1-CB 4.35Å; I112-L261 HydrophobicContact CG1-CD2 4.11Å; L237-L261 HydrophobicContact CD2-CD1 4.03Å; V255-L261 HydrophobicContact CG1-CD1 3.98Å; V255-L261 WeakPolarHBondContact O-CD1 3.46Å; R258-L261 HydrophobicContact CB-CB 4.5Å; R258-L261 HydrophobicContact CB-CD1 4.45Å; R258-L261 HydrophobicContact CB-CG 4.46Å; R258-L261 CarbonylContact O-C 3.58Å; R258-L261 WeakPolarHBondContact O-CA 3.45Å; R258-L261 PolarHBondContact O-N 2.93Å; L261-K263 VanDerWaalsContact C-N 3.32Å; L261-K263 PolarHBondContact O-N 3.37Å; L261-H264 CarbonylContact O-C 3.58Å; L261-H264 WeakPolarHBondContact O-CA 3.4Å; L261-H264 WeakPolarHBondContact O-CB 3.4Å; L261-H264 PolarHBondContact O-N 3.4Å; L261-V265 WeakPolarHBondContact O-CG2 3.45Å; L261-V265 PolarHBondContact O-N 3.27Å
262E82.8Confident83.8Confident103 Ų10356.9 Ų56.948%0.48129%0.285SS..Hα-helixtrans-52.9-46.5-175.9-177179.4-138.700112.4R258 H264 V265 S266R258-E262 WeakPolarHBondContact O-CB 3.34Å; R258-E262 PolarHBondContact O-N 3.32Å; E262-H264 PolarHBondContact O-N 2.92Å; E262-V265 WeakPolarHBondContact O-CB 3.49Å; E262-V265 PolarHBondContact O-N 3.32Å; E262-S266 PolarHBondContact O-N 2.85Å; E262-S266 VanDerWaalsContact O-N 3.08Å; E262-S266 PolarHBondContact O-OG 3.26Å
263K77.1Confident81.9Confident149 Ų14960.8 Ų60.865%0.64831%0.309SS*.Hα-helixtrans-58.1-20.4175.4-66.2171.7-175.5169.70113.6L261 K267L261-K263 VanDerWaalsContact C-N 3.32Å; L261-K263 PolarHBondContact O-N 3.37Å; K263-K267 WeakPolarHBondContact O-CE 3.23Å
264H79.4Confident79.6Confident42 Ų4262.9 Ų62.919%0.19432%0.323CS..Hα-helixtrans-98.2-35.9173.2-76.5-120.1000112.1V108 D109 I112 L261 E262 S266 K267 H268V108-H264 HydrophobicContact CG1-CB 4.18Å; D109-H264 IonicContact OD1-CE1 3.43Å; D109-H264 IonicContact OD1-CG 2.89Å; D109-H264 IonicContact OD1-ND1 3.1Å; D109-H264 PolarHBondContact OD1-ND1 3.35Å; I112-H264 HydrophobicContact CD1-CB 3.3Å; L261-H264 CarbonylContact O-C 3.58Å; L261-H264 WeakPolarHBondContact O-CA 3.4Å; L261-H264 WeakPolarHBondContact O-CB 3.4Å; L261-H264 PolarHBondContact O-N 3.4Å; E262-H264 PolarHBondContact O-N 2.92Å; H264-S266 VanDerWaalsContact C-N 3.3Å; H264-S266 PolarHBondContact O-N 3.08Å; H264-K267 PolarHBondContact CD2-NZ 2.96Å; H264-K267 VanDerWaalsContact CD2-NZ 3.31Å; H264-K267 PolarHBondContact CE1-NZ 2.85Å; H264-K267 VanDerWaalsContact CE1-NZ 3.3Å; H264-K267 PolarHBondContact NE2-NZ 3.3Å; H264-K267 WeakPolarHBondContact O-CA 3.19Å; H264-K267 VanDerWaalsContact O-CB 3.31Å; H264-K267 WeakPolarHBondContact O-CB 3.44Å; H264-K267 PolarHBondContact O-N 3.18Å; H264-H268 PolarHBondContact O-CD2 3.18Å; H264-H268 PolarHBondContact O-N 2.93Å; H264-H268 VanDerWaalsContact O-N 3.12Å
265V81.1Confident77.5Confident17 Ų1763.1 Ų63.110%0.10333%0.327CS..Hα-helixtrans-53-46.2173.6172.90000110.9I112 L256 L261 E262 K267 H268 I269I112-V265 HydrophobicContact CD1-CG2 4.11Å; I112-V265 HydrophobicContact CG1-CG2 4.15Å; I112-V265 HydrophobicContact CG2-CG2 3.84Å; L256-V265 HydrophobicContact CD2-CG2 3.71Å; L261-V265 WeakPolarHBondContact O-CG2 3.45Å; L261-V265 PolarHBondContact O-N 3.27Å; E262-V265 WeakPolarHBondContact O-CB 3.49Å; E262-V265 PolarHBondContact O-N 3.32Å; V265-K267 VanDerWaalsContact C-N 3.28Å; V265-K267 PolarHBondContact O-N 2.93Å; V265-H268 PolarHBondContact O-N 2.94Å; V265-I269 HydrophobicContact CG1-CD1 3.62Å; V265-I269 HydrophobicContact CG1-CG1 4.18Å; V265-I269 WeakPolarHBondContact O-CG1 3.34Å; V265-I269 PolarHBondContact O-N 3.4Å
266S76.1Confident75.2Confident67 Ų6768.8 Ų68.847%0.46935%0.354SS..Hα-helixtrans-58.8-37.8176.4-44.90000112.7E262 H264 H268 S270E262-S266 PolarHBondContact O-N 2.85Å; E262-S266 VanDerWaalsContact O-N 3.08Å; E262-S266 PolarHBondContact O-OG 3.26Å; H264-S266 VanDerWaalsContact C-N 3.3Å; H264-S266 PolarHBondContact O-N 3.08Å; S266-H268 VanDerWaalsContact C-N 3.32Å; S266-H268 PolarHBondContact O-N 3.36Å; S266-S270 WeakPolarHBondContact O-CB 3.33Å; S266-S270 PolarHBondContact O-N 3.24Å; S266-S270 PolarHBondContact O-OG 3.4Å; S266-S270 VanDerWaalsContact O-OG 3.11Å
267K77.9Confident72.8Confident93 Ų9371.6 Ų71.640%0.40437%0.372SS..Hα-helixtrans-64.9-37.3176.8-55170.7-171.6159.10111.2K263 H264 V265 K271K263-K267 WeakPolarHBondContact O-CE 3.23Å; H264-K267 PolarHBondContact CD2-NZ 2.96Å; H264-K267 VanDerWaalsContact CD2-NZ 3.31Å; H264-K267 PolarHBondContact CE1-NZ 2.85Å; H264-K267 VanDerWaalsContact CE1-NZ 3.3Å; H264-K267 PolarHBondContact NE2-NZ 3.3Å; H264-K267 WeakPolarHBondContact O-CA 3.19Å; H264-K267 VanDerWaalsContact O-CB 3.31Å; H264-K267 WeakPolarHBondContact O-CB 3.44Å; H264-K267 PolarHBondContact O-N 3.18Å; V265-K267 VanDerWaalsContact C-N 3.28Å; V265-K267 PolarHBondContact O-N 2.93Å; K267-K271 WeakPolarHBondContact O-CB 3.47Å; K267-K271 VanDerWaalsContact O-CD 3.26Å; K267-K271 WeakPolarHBondContact O-CD 3.34Å; K267-K271 WeakPolarHBondContact O-CG 3.42Å; K267-K271 PolarHBondContact O-N 3.13Å
268H76Confident70.4Confident11 Ų1168.4 Ų68.45%0.05137%0.369CS..Hα-helixtrans-71.8-49.6176.1-80.4-85.3000111.6D109 I112 Q113 L116 H264 V265 S266 S270 K271 H272D109-H268 IonicContact OD1-NE2 2.65Å; I112-H268 HydrophobicContact CG2-CB 4.42Å; Q113-H268 PolarHBondContact NE2-CE1 2.88Å; L116-H268 HydrophobicContact CD1-CB 4.06Å; H264-H268 PolarHBondContact O-CD2 3.18Å; H264-H268 PolarHBondContact O-N 2.93Å; H264-H268 VanDerWaalsContact O-N 3.12Å; V265-H268 PolarHBondContact O-N 2.94Å; S266-H268 VanDerWaalsContact C-N 3.32Å; S266-H268 PolarHBondContact O-N 3.36Å; H268-S270 PolarHBondContact O-N 3.07Å; H268-K271 PolarHBondContact O-N 3.13Å; H268-K271 VanDerWaalsContact O-N 3.14Å; H268-H272 PolarHBondContact O-CD2 3.49Å; H268-H272 PolarHBondContact O-N 3.37Å
269I75Confident68Low83 Ų8372 Ų7243%0.42639%0.387SS..Hα-helixtrans-57.8-48.2-179.9-65.5175.1000111V265 K271 H272 V273V265-I269 HydrophobicContact CG1-CD1 3.62Å; V265-I269 HydrophobicContact CG1-CG1 4.18Å; V265-I269 WeakPolarHBondContact O-CG1 3.34Å; V265-I269 PolarHBondContact O-N 3.4Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 2.93Å; I269-H272 PolarHBondContact O-N 2.94Å; I269-V273 HydrophobicContact CG2-CG2 4.31Å; I269-V273 WeakPolarHBondContact O-CG2 3.36Å; I269-V273 PolarHBondContact O-N 2.81Å
270S63.8Low65.5Low81 Ų8169.1 Ų69.157%0.56637%0.374SS*.Hα-helixtrans-62-35.7178.1-61.20000113.3S266 H268 S274S266-S270 WeakPolarHBondContact O-CB 3.33Å; S266-S270 PolarHBondContact O-N 3.24Å; S266-S270 PolarHBondContact O-OG 3.4Å; S266-S270 VanDerWaalsContact O-OG 3.11Å; H268-S270 PolarHBondContact O-N 3.07Å; S270-S274 WeakPolarHBondContact O-CB 3.39Å; S270-S274 PolarHBondContact O-N 2.57Å; S270-S274 PolarHBondContact O-OG 3.27Å
271K64.1Low63.1Low119 Ų11973.5 Ų73.552%0.51740%0.395SS..Hα-helixtrans-69.6-32.2173.5-73.6169.8-171.4174.70112.4K267 H268 I269 S274 A275K267-K271 WeakPolarHBondContact O-CB 3.47Å; K267-K271 VanDerWaalsContact O-CD 3.26Å; K267-K271 WeakPolarHBondContact O-CD 3.34Å; K267-K271 WeakPolarHBondContact O-CG 3.42Å; K267-K271 PolarHBondContact O-N 3.13Å; H268-K271 PolarHBondContact O-N 3.13Å; H268-K271 VanDerWaalsContact O-N 3.14Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 2.93Å; K271-S274 PolarHBondContact O-OG 2.84Å; K271-A275 WeakPolarHBondContact O-CB 3.34Å; K271-A275 PolarHBondContact O-N 2.93Å; K271-A275 VanDerWaalsContact O-N 3.14Å
272H62.7Low60.7Low31 Ų3179.1 Ų79.114%0.14442%0.424CS..Hα-helixtrans-77.9-41178.3-72.5-56.3000112.7P63 H268 I269 A275 Q276P63-H272 HydrophobicContact CG-CB 4.45Å; H268-H272 PolarHBondContact O-CD2 3.49Å; H268-H272 PolarHBondContact O-N 3.37Å; I269-H272 PolarHBondContact O-N 2.94Å; H272-A275 PolarHBondContact O-N 3.4Å; H272-Q276 WeakPolarHBondContact O-CB 3.29Å; H272-Q276 WeakPolarHBondContact O-CG 3.43Å; H272-Q276 PolarHBondContact O-N 2.92Å
273V57Low58.7Low84 Ų8480.5 Ų80.551%0.50944%0.435SS..Hα-helixtrans-60.4-51.8174.3173.20000110.6I269 A275 Q276 T277I269-V273 HydrophobicContact CG2-CG2 4.31Å; I269-V273 WeakPolarHBondContact O-CG2 3.36Å; I269-V273 PolarHBondContact O-N 2.81Å; V273-A275 VanDerWaalsContact C-N 3.34Å; V273-A275 PolarHBondContact O-N 3Å; V273-Q276 PolarHBondContact O-N 3.13Å; V273-Q276 VanDerWaalsContact O-N 3.11Å; V273-T277 PolarHBondContact O-N 3.31Å; V273-T277 PolarHBondContact O-OG1 3.16Å
274S47.8Very low57Low65 Ų6581.5 Ų81.546%0.45544%0.442SS..Hα-helixtrans-62.3-37.6178.550.20000113.2S270 K271 V278S270-S274 WeakPolarHBondContact O-CB 3.39Å; S270-S274 PolarHBondContact O-N 2.57Å; S270-S274 PolarHBondContact O-OG 3.27Å; K271-S274 PolarHBondContact O-OG 2.84Å; S274-V278 WeakPolarHBondContact O-CG2 3.49Å; S274-V278 PolarHBondContact O-N 3.11Å
275A51.5Low54.9Low38 Ų3883.6 Ų83.631%0.31447%0.467SS..Hα-helixtrans-66.2-35.9173.100000113.1K271 H272 V273 Q279K271-A275 WeakPolarHBondContact O-CB 3.34Å; K271-A275 PolarHBondContact O-N 2.93Å; K271-A275 VanDerWaalsContact O-N 3.14Å; H272-A275 PolarHBondContact O-N 3.4Å; V273-A275 VanDerWaalsContact C-N 3.34Å; V273-A275 PolarHBondContact O-N 3Å; A275-Q279 WeakPolarHBondContact O-CB 3.4Å; A275-Q279 WeakPolarHBondContact O-CG 3.29Å; A275-Q279 PolarHBondContact O-N 3.36Å
276Q49.2Very low52.8Low118 Ų11887 Ų8755%0.55150%0.496SS*.Hα-helixtrans-69.4-39177.2-77.8178-10.300112.2H272 V273 Q279 G280H272-Q276 WeakPolarHBondContact O-CB 3.29Å; H272-Q276 WeakPolarHBondContact O-CG 3.43Å; H272-Q276 PolarHBondContact O-N 2.92Å; V273-Q276 PolarHBondContact O-N 3.13Å; V273-Q276 VanDerWaalsContact O-N 3.11Å; Q276-Q279 PolarHBondContact O-N 3.09Å; Q276-G280 PolarHBondContact O-N 2.57Å
277T45.3Very low50.6Low77 Ų7788.6 Ų88.647%0.47251%0.507SS..Hα-helixtrans-58.1-52.4173.5-51.90000111.1V273 Q279 G280 E281V273-T277 PolarHBondContact O-N 3.31Å; V273-T277 PolarHBondContact O-OG1 3.16Å; T277-Q279 VanDerWaalsContact C-N 3.33Å; T277-Q279 PolarHBondContact O-N 3.47Å; T277-G280 PolarHBondContact O-N 2.6Å; T277-G280 VanDerWaalsContact O-N 3.11Å; T277-E281 PolarHBondContact O-N 3.1Å; T277-E281 VanDerWaalsContact O-N 3.08Å
278V44.3Very low48.8Very low79 Ų7990.1 Ų90.148%0.47953%0.527SS..Hα-helixtrans-63.7-36.6-179.2175.60000112.1S274 L282S274-V278 WeakPolarHBondContact O-CG2 3.49Å; S274-V278 PolarHBondContact O-N 3.11Å; V278-L282 HydrophobicContact CG1-CD1 4Å; V278-L282 VanDerWaalsContact O-CG 3.3Å; V278-L282 WeakPolarHBondContact O-CG 3.28Å; V278-L282 PolarHBondContact O-N 2.91Å; V278-L282 VanDerWaalsContact O-N 3.15Å
279Q42.4Very low46.7Very low122 Ų122100.8 Ų100.857%0.5757%0.566SS**Hα-helixtrans-71.6-30.4175-74.4-175.3-27.300113.1A275 Q276 T277 N283A275-Q279 WeakPolarHBondContact O-CB 3.4Å; A275-Q279 WeakPolarHBondContact O-CG 3.29Å; A275-Q279 PolarHBondContact O-N 3.36Å; Q276-Q279 PolarHBondContact O-N 3.09Å; T277-Q279 VanDerWaalsContact C-N 3.33Å; T277-Q279 PolarHBondContact O-N 3.47Å; Q279-N283 WeakPolarHBondContact O-CB 3.46Å; Q279-N283 PolarHBondContact O-N 3.25Å; Q279-N283 PolarHBondContact O-ND2 3.44Å
280G39.1Very low44.7Very low31 Ų31105.1 Ų105.132%0.3259%0.591SS.*Hα-helixtrans-64-49.4171.900000112Q276 T277 L282 N283 H284Q276-G280 PolarHBondContact O-N 2.57Å; T277-G280 PolarHBondContact O-N 2.6Å; T277-G280 VanDerWaalsContact O-N 3.11Å; G280-L282 PolarHBondContact O-N 2.96Å; G280-N283 PolarHBondContact O-N 3.22Å; G280-H284 PolarHBondContact O-CD2 3.47Å; G280-H284 VanDerWaalsContact O-CD2 3.28Å; G280-H284 PolarHBondContact O-N 2.91Å
281E40.6Very low43Very low132 Ų132105.1 Ų105.162%0.61760%0.604SS**Hα-helixtrans-62.8-43.7-179.5-68.3176.5160.800112.4T277 N283 H284 A285T277-E281 PolarHBondContact O-N 3.1Å; T277-E281 VanDerWaalsContact O-N 3.08Å; E281-N283 VanDerWaalsContact C-N 3.34Å; E281-N283 PolarHBondContact O-N 3.41Å; E281-H284 PolarHBondContact O-N 3.28Å; E281-A285 PolarHBondContact O-N 3.48Å
282L40.8Very low41.4Very low119 Ų119104.3 Ų104.362%0.62362%0.619SS**Hα-helixtrans-63.9-35.9177.5-71.7170.5000113V278 G280 H284 A285V278-L282 HydrophobicContact CG1-CD1 4Å; V278-L282 VanDerWaalsContact O-CG 3.3Å; V278-L282 WeakPolarHBondContact O-CG 3.28Å; V278-L282 PolarHBondContact O-N 2.91Å; V278-L282 VanDerWaalsContact O-N 3.15Å; G280-L282 PolarHBondContact O-N 2.96Å; L282-H284 VanDerWaalsContact C-N 3.33Å; L282-A285 PolarHBondContact O-N 2.99Å
283N40.5Very low39.7Very low132 Ų132107.8 Ų107.871%0.70665%0.653SS**Hα-helixtrans-73.4-23.5178.2-73-27.9000113.2Q279 G280 E281Q279-N283 WeakPolarHBondContact O-CB 3.46Å; Q279-N283 PolarHBondContact O-N 3.25Å; Q279-N283 PolarHBondContact O-ND2 3.44Å; G280-N283 PolarHBondContact O-N 3.22Å; E281-N283 VanDerWaalsContact C-N 3.34Å; E281-N283 PolarHBondContact O-N 3.41Å
284H41.6Very low38.4Very low171 Ų171108.8 Ų108.879%0.79267%0.67SS**Hα-helixtrans-86.6-12.1176.5-79.3-63000114.3G280 E281 L282 A286G280-H284 PolarHBondContact O-CD2 3.47Å; G280-H284 VanDerWaalsContact O-CD2 3.28Å; G280-H284 PolarHBondContact O-N 2.91Å; E281-H284 PolarHBondContact O-N 3.28Å; L282-H284 VanDerWaalsContact C-N 3.33Å; H284-A286 VanDerWaalsContact C-N 3.27Å; H284-A286 PolarHBondContact O-N 3.44Å
285A36.5Very low37.5Very low86 Ų86110.7 Ų110.771%0.71169%0.69SS**SBendtrans-76.3-6.9-179.800000114.8E281 L282E281-A285 PolarHBondContact O-N 3.48Å; L282-A285 PolarHBondContact O-N 2.99Å
286A37.6Very low36.6Very low87 Ų87114 Ų11472%0.71971%0.711SS**  trans-111.950.8-164.700000115H284H284-A286 VanDerWaalsContact C-N 3.27Å; H284-A286 PolarHBondContact O-N 3.44Å
287S28.8Very low35.7Very low101 Ų101116.1 Ų116.171%0.70673%0.726SS**  trans-154.5111.4163.9-153.50000113.5
288P39.3Very low35Very low125 Ų125116.4 Ų116.481%0.81274%0.736SS**  trans-88.9128174.833.1-31000111.6
289R32.3Very low34.3Very low235 Ų235117.2 Ų117.289%0.88775%0.751SS**  trans-136.7114.1165.6-77.6-167167.2-167.1-5.2112.2
290N32.5Very low33.8Very low175 Ų175120.1 Ų120.194%0.93676%0.762SS**  trans-74.6151.2159.1-62.6-32.9000109.1
291G29.8Very low33.2Very low81 Ų81125.9 Ų125.984%0.83578%0.784SS**  trans158.5108.3169.400000114.4
292A28.9Very low32.8Very low101 Ų101130.1 Ų130.184%0.83580%0.795SS**  trans-60.9143.3-170.700000117.6
293A28.9Very low32.2Very low104 Ų104131.2 Ų131.286%0.8681%0.806SS**  trans26.5127.1134.200000122
294A28.3Very low31.6Very low106 Ų106128.1 Ų128.188%0.87681%0.806SS**  trans-149.2149.6136.700000109.3
295A30.2Very low31.1Very low105 Ų105125.3 Ų125.387%0.86881%0.812SS**  trans-151.1129.7179.500000113
296S31.9Very low30.7Very low108 Ų108127 Ų12776%0.75582%0.819SS**  trans-174.6127.116648.60000106.3
297D30.6Very low30.3Very low162 Ų162131.8 Ų131.887%0.86682%0.823SS**  58.7130.578.1-77.6-42000113.9
298A29.2Very low31.4Very low83 Ų83132.7 Ų132.769%0.68683%0.827SS**  cis-162.1169.1-5.300000112
299A31Very low31.3Very low96 Ų96130.6 Ų130.679%0.79382%0.82SS**  trans44.1157138.900000123.3
300K31.3Very low31.4Very low183 Ų183126.6 Ų126.680%0.79681%0.812SS**  cis167.8132.2-18.1173.9-178.3-173.81760108.7
301L26.8Very low31.6Very low152 Ų152125.8 Ų125.880%0.79680%0.8SS**  trans170.8125.7155.6-89.9149.5000106.9
302R32Very low31.5Very low220 Ų220128.6 Ų128.683%0.8380%0.795SS**  65.3136.569.7-63.2-177.5121.9-164.9-1.3112.7
303T29Very low31.8Very low142 Ų142130.4 Ų130.487%0.87179%0.786SS**  cis-143.9171.126.245.50000112.6
304G27Very low32.1Very low67 Ų67133.8 Ų133.869%0.69178%0.781SS**  cis160.9167.5-5.800000113.9
305A31Very low32.5Very low112 Ų112133.3 Ų133.393%0.92678%0.777SS**  trans65.7155.817400000117.7
306S28.4Very low32.6Very low121 Ų121139.6 Ų139.685%0.84678%0.779SS**  cis-133.6-178.18.865.30000113.8
307K30.2Very low32.7Very low188 Ų188138.1 Ų138.182%0.81777%0.773SS**  trans-158.1168.1-172.3-125.9-169.3-179.3-1720110.4
308P51.8Low32.8Very low121 Ų121136.5 Ų136.579%0.78677%0.769SS**  -128.7-155.966.336.5-16.9000111.3
309A35.8Very low32.7Very low81 Ų81139.9 Ų139.967%0.66977%0.771SS**  cis-144.2-121.315.800000114.7
310E35.4Very low32.7Very low151 Ų151145.9 Ų145.971%0.70677%0.773SS**  trans-144174.5-143.1-67.8-162.310400112.4
311K35.3Very low33.6Very low157 Ų157142.8 Ų142.868%0.68377%0.771SS**  cis-147-167.14-127.8150-177.7143.40106.8
312L27.9Very low33.6Very low140 Ų140139.2 Ų139.273%0.73377%0.772SS**  cis-138.2-109.38.6-171.456.9000112
313Q35.5Very low33.5Very low140 Ų140133.4 Ų133.465%0.65477%0.771SS**  trans-152.3174.4-171.2-53.2-176.8-2.300110.5
314K35.8Very low33.6Very low175 Ų175131 Ų13176%0.76177%0.765SS**  cis-171.1138.122.9-149163-171.5161.80115.2
315A36.6Very low33.6Very low96 Ų96136.9 Ų136.979%0.79377%0.774SS**  trans59.5164.7148.700000121.8
316R32.1Very low33.6Very low236 Ų236142.6 Ų142.689%0.89177%0.772SS**  cis-164.4146.6-4.1-143.4-170.7170168.7-3.9113.6
317A34.5Very low34.5Very low78 Ų78143 Ų14365%0.64577%0.772SS**  trans55.3156.5140.100000122.8
318T31.9Very low34.4Very low127 Ų127137.4 Ų137.478%0.77977%0.767SS**  cis-167.5159.8-6.616.20000113.8
319E27.7Very low33.4Very low155 Ų155136.8 Ų136.872%0.72477%0.772SS**  trans63.3109.8148.4-64.1-67.391.300125.4
320R30Very low33.2Very low221 Ų221137.2 Ų137.283%0.83478%0.776SS**  30.9169.1115.3-79.2-174.3169.1-164.8-2124.1
321P50.9Low32.9Very low118 Ų118139 Ų13977%0.76679%0.785SS**  cis-147.4173-35.641.6-23.5000118.1
322G27.4Very low32.7Very low78 Ų78142.9 Ų142.980%0.80480%0.795SS**  trans86.8166.6144.500000120.3
323A29.7Very low33.9Very low98 Ų98142.1 Ų142.181%0.8180%0.798SS**  cis-169.9172.7-16.200000112.1
324A30.2Very low33.5Very low90 Ų90139.1 Ų139.174%0.74481%0.805SS**  trans70.3152.2164.800000118.3
325E28.5Very low33.1Very low191 Ų191136 Ų13689%0.89381%0.811SS**  cis-155.6-179.2-9.1-126.4165-163.300113.6
326R29.6Very low32.9Very low233 Ų233136.7 Ų136.788%0.87982%0.817SS**  trans-114.5-171.6171.7-72.7-175171.5-174.3-1.1108.8
327P47.7Very low32.7Very low129 Ų129128.9 Ų128.984%0.83881%0.81SS**  cis-139.1-169.30.643.8-24.3000116.4
328G28.9Very low32.6Very low70 Ų70137.2 Ų137.272%0.72283%0.825SS**  trans118.1115.9167.300000112.9
329A30.4Very low32.8Very low108 Ų108140.6 Ų140.689%0.89383%0.829SS**  cis77.1131.74900000113.4
330A31.6Very low33.6Very low91 Ų91139.1 Ų139.175%0.75283%0.833SS**  cis-162.1-178.6-12.600000111.1
331E28.7Very low33.6Very low188 Ų188133.3 Ų133.388%0.87983%0.832SS**  trans63.8100.8158.8-52.1-159.6128.500122.4
332R30.9Very low32.6Very low239 Ų239132.9 Ų132.990%0.90284%0.838SS**  5167.7116.8-79.1-176.3-177.8-170.12120.6
333P52.3Low32.8Very low123 Ų123138.3 Ų138.380%0.79984%0.84SS**  cis-142.7177.8-21.737.1-17.8000116.6
334G27.1Very low32.9Very low77 Ų77140.8 Ų140.879%0.79484%0.839SS**  trans107.2155.9152.300000116.6
335A29.4Very low32.9Very low109 Ų109142 Ų14290%0.90183%0.832SS**  cis-155.5177.8-8.300000112.1
336A31.3Very low33Very low111 Ų111140.7 Ų140.792%0.91783%0.826SS**  trans-57.8157.9-167.400000118.9
337G28.4Very low32.7Very low72 Ų72141.4 Ų141.474%0.74283%0.829SS**  trans-16864.9178.200000119.8
338R32.1Very low31.9Very low253 Ų253139.1 Ų139.196%0.95582%0.821SS**  trans43.5134.4147.5-63.8177.9173.6173.4-2.7123.2
339K36.8Very low32.9Very low198 Ų198141.2 Ų141.286%0.86182%0.822SS**  trans-82.5159.5152.7-53.4177.2179.9177.40109.9
340P43.7Very low32.8Very low125 Ų125146.3 Ų146.381%0.81282%0.824SS**  -133.4169.272.516.18.4000112.9
341A29.6Very low32.8Very low99 Ų99152.6 Ų152.682%0.81883%0.829SS**  cis95.6105.42400000116.5
342A30.5Very low32.8Very low108 Ų108149.8 Ų149.889%0.89382%0.824SS**  trans-159.8159.9159.800000110.9
343K31.8Very low32.8Very low193 Ų193145 Ų14584%0.83982%0.816SS**  trans-116.6-175-167.1-65.7177.6175.2-1800113.2
344L30.5Very low31.7Very low149 Ų149144.1 Ų144.178%0.7882%0.819SS**  trans90.2137.9156.3-53.6153.8000115.5
345D31.2Very low31.8Very low115 Ų115144.9 Ų144.962%0.61582%0.818SS**  cis-162.5164.3-18.1-133.3-23.7000115.9
346H29.9Very low32.9Very low164 Ų164144.5 Ų144.576%0.75981%0.806SS**  trans67.6142.3148.6-74.519.6000124.7
347R24.3Very low32.8Very low248 Ų248147.8 Ų147.894%0.93680%0.802SS**  trans98125.4142.5-155.1167.8-171.8163.31.8121.1
348A30.8Very low32.9Very low82 Ų82153.9 Ų153.968%0.67881%0.808SS**  trans-130-168163.100000107.4
349P49.2Very low33.3Very low113 Ų113147 Ų14773%0.73480%0.797SS**  cis-127.6-170.7-1143.1-27.9000112.8
350F28.6Very low32.8Very low216 Ų216144.1 Ų144.195%0.94779%0.79SS**  trans-150.6161.7157.5-110.3-76.4000113.8
351R30.8Very low32.1Very low223 Ų223145.7 Ų145.784%0.84279%0.786SS**  trans-157.8153.3-171-166.6-170.5-165-1626.6109
352V29.9Very low32.1Very low129 Ų129149.5 Ų149.578%0.78279%0.787SS**  trans170.6132164.6140.50000106.8
353N29.9Very low32.1Very low139 Ų139153.7 Ų153.774%0.74379%0.785SS**  cis81.2140.149.3-69.313.7000112.9
354A29Very low32.5Very low104 Ų104150.7 Ų150.786%0.8679%0.785SS**  cis-155.3-161-5.400000111.9
355A30.6Very low32.3Very low92 Ų92148.2 Ų148.276%0.7679%0.786SS**  trans-96.9-156.9-171.500000113.3
356P51.6Low32.5Very low101 Ų101152 Ų15266%0.65680%0.797SS**  cis-141.1-169.9-1.842.6-21.7000116.7
357H30.5Very low33.1Very low181 Ų181150 Ų15084%0.83880%0.798SS**  trans148.3165.6142-80.9-71.4000116.9
358K30Very low33.4Very low200 Ų200142.5 Ų142.587%0.8779%0.79SS**  trans-143.8174.3-179.9-111.9-177.5-177.5177.30107.2
359P41Very low33.5Very low109 Ų109143 Ų14371%0.70879%0.794SS**  cis-141.2-165.87.935.8-11.7000116.6
360L26.3Very low32.6Very low137 Ų137145.3 Ų145.372%0.71780%0.8SS**  trans99.4128.5137.4-138.775.6000123
361H28.2Very low32.6Very low158 Ų158138.1 Ų138.173%0.73179%0.787SS**  trans61.5161.4161.5-68.6-33000119
362Q29.8Very low32.6Very low179 Ų179131.9 Ų131.984%0.83678%0.783SS**  cis-148.8176.39.8-143.5164.776.700112.5
363K29.5Very low32.4Very low195 Ų195135.2 Ų135.285%0.84879%0.787SS**  trans-96.2158.5174.3-72.2-177.4178.5175.40112.4
364P40Very low32.5Very low130 Ų130132.6 Ų132.684%0.84479%0.785SS**  -144.2178.3104.136.2-20.8000112.9
365A26.9Very low32.5Very low98 Ų98130.6 Ų130.681%0.8177%0.774SS**  cis-161.6166.7-3200000109.2
366K35.8Very low32.5Very low195 Ų195133.2 Ų133.285%0.84877%0.774SS**  trans-108.7164.4171.1-76.4-168.4177.5-173.30110.9
367P42.8Very low31.5Very low120 Ų120135.8 Ų135.878%0.77978%0.777SS**  -115.5153.3102-6.626.7000111.6
368A31.1Very low31.4Very low92 Ų92132.9 Ų132.976%0.7677%0.768SS**  cis82.2142.440.800000112.7
369A33Very low31.3Very low91 Ų91132.4 Ų132.475%0.75276%0.762SS**  cis-146.3174.68.300000111.2
370D28.6Very low30.7Very low162 Ų162137.4 Ų137.487%0.86677%0.767SS**  cis-127.4-119.8-1.5-156.1-34.7000110.9
371G30.4Very low30.6Very low65 Ų65137.7 Ų137.767%0.6777%0.768SS**  cis157.2150-7.400000109.2
372A28.8Very low30.5Very low92 Ų92137.4 Ų137.476%0.7677%0.772SS**  cis-134.3153.3-1.600000108.1
373F26Very low30.4Very low200 Ų200132.1 Ų132.188%0.87777%0.765SS**  65.112563.2-101.7-97.1000115.3
374A31.7Very low30.3Very low84 Ų84134.2 Ų134.269%0.69477%0.768SS**  cis-168.3172.7-17.400000108
375G29.2Very low30Very low61 Ų61136.2 Ų136.263%0.62977%0.766SS**  cis-170.9162.91.100000110.8
376I31.1Very low30.7Very low148 Ų148136.2 Ų136.276%0.75976%0.758SS**  78.612594.6-65.2164.7000111.9
377Q30.9Very low30.6Very low155 Ų155134.1 Ų134.172%0.72476%0.756SS**  cis-164.3150.749.7-150.5158.899.400115
378N28.5Very low30.7Very low120 Ų120134.5 Ų134.564%0.64275%0.75SS**  trans13.3148.9150.9-51.2-19.6000122
379Y28.6Very low31.2Very low189 Ų189137.4 Ų137.474%0.74175%0.747SS**  -163.5141.156.6-90.5-87.9000116.8
380R27.1Very low31.4Very low214 Ų214140.6 Ų140.681%0.80874%0.741SS**  trans29.3132.5141.8-75.9-172.7178.7171.3-0.1125
381L25.5Very low32Very low144 Ų144139.2 Ų139.275%0.75473%0.729SS**  trans59.9148.7151.9-75.586.3000116.8
382D26.4Very low32.6Very low152 Ų152141.9 Ų141.981%0.81372%0.724SS**  cis-146.6173.114.4-142.5-33.6000111.5
383G25.8Very low33Very low67 Ų67144.3 Ų144.369%0.69172%0.715SS**  trans105.2109.8159.200000120.1
384R28.8Very low34Very low239 Ų239142.8 Ų142.890%0.90270%0.704SS**  trans4.2127.1151.3-78.3-174.3176.7-165.7-0.6122.6
385Q32.9Very low34.9Very low173 Ų173141.5 Ų141.581%0.80869%0.694SS**  76.3174129.6-123-161.3-600118.4
386P42.2Very low35.6Very low97 Ų97143.2 Ų143.263%0.6369%0.686SS**  -126.8-157.6-93.544.6-30.1000115.5
387D32.6Very low36.1Very low151 Ų151140.6 Ų140.681%0.80767%0.673SS**  trans-43.4146.2-168.6-65.3-84.6000119.9H389D387-H389 PolarHBondContact O-N 3.01Å
388I45.3Very low36.9Very low128 Ų128136.4 Ų136.466%0.65666%0.655SS**  trans-92.174.7-174.1-51.4174.5000110Q391I388-Q391 HydrophobicContact CG2-CB 3.98Å; I388-Q391 HydrophobicContact CG2-CG 3.56Å
389H42.4Very low38Very low153 Ų153135.1 Ų135.171%0.70865%0.651SS**  trans-98.7-23.2180-144.5-41.4000115.1D387D387-H389 PolarHBondContact O-N 3.01Å
390Y36.8Very low38.8Very low159 Ų159131 Ų13162%0.62464%0.641SS**SBendtrans-105.5-1.3-172.8-71.8-77.9000116.2H392 Y393 Y394Y390-H392 PolarHBondContact O-N 3.3Å; Y390-H392 VanDerWaalsContact O-N 3.12Å; Y390-Y393 AromaticContact CD1-CD2 3.9Å; Y390-Y393 HydrophobicContact CD1-CD2 3.9Å; Y390-Y393 HydrophobicContact CD1-CE2 4.44Å; Y390-Y393 PolarHBondContact O-N 2.97Å; Y390-Y394 VanDerWaalsContact O-CD2 3.31Å; Y390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Y390-Y394 PolarHBondContact O-N 2.97Å
391Q41.9Very low39.5Very low133 Ų133126.9 Ų126.962%0.62163%0.631SS**Hα-helixtrans-57.2-30.3-179.3-84.1-174.5200113.8I388 Y394 A395I388-Q391 HydrophobicContact CG2-CB 3.98Å; I388-Q391 HydrophobicContact CG2-CG 3.56Å; Q391-Y394 PolarHBondContact O-N 3.3Å; Q391-A395 WeakPolarHBondContact O-CB 3.33Å; Q391-A395 PolarHBondContact O-N 3.18Å
392H41.3Very low40.2Very low121 Ų121127.5 Ų127.556%0.5662%0.623SS**Hα-helixtrans-62.8-42176.5-16972.4000112.6Y390 A395 Q396Y390-H392 PolarHBondContact O-N 3.3Å; Y390-H392 VanDerWaalsContact O-N 3.12Å; H392-A395 PolarHBondContact O-N 3.01Å; H392-Q396 PolarHBondContact NE2-NE2 2.75Å; H392-Q396 WeakPolarHBondContact O-CG 3.27Å; H392-Q396 PolarHBondContact O-N 3.36Å; H392-Q396 VanDerWaalsContact O-N 3.09Å
393Y38.9Very low41Very low143 Ų143130.7 Ų130.756%0.56162%0.624SS**Hα-helixtrans-69.9-40.6178.9-69.6-79.7000111.9Y390 A395 Q396 L397Y390-Y393 AromaticContact CD1-CD2 3.9Å; Y390-Y393 HydrophobicContact CD1-CD2 3.9Å; Y390-Y393 HydrophobicContact CD1-CE2 4.44Å; Y390-Y393 PolarHBondContact O-N 2.97Å; Y393-A395 VanDerWaalsContact C-N 3.35Å; Y393-A395 PolarHBondContact O-N 3.29Å; Y393-Q396 PolarHBondContact O-N 3.31Å; Y393-L397 WeakPolarHBondContact O-CG 3.45Å; Y393-L397 PolarHBondContact O-N 3.19Å
394Y46.4Very low41.7Very low167 Ų167134.2 Ų134.266%0.65563%0.627SS**Hα-helixtrans-62.8-40.3173.6-70.2-67.2000112.2Y390 Q391 Q396 L397 D398Y390-Y394 VanDerWaalsContact O-CD2 3.31Å; Y390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Y390-Y394 PolarHBondContact O-N 2.97Å; Q391-Y394 PolarHBondContact O-N 3.3Å; Y394-Q396 VanDerWaalsContact C-N 3.33Å; Y394-Q396 PolarHBondContact O-N 3.08Å; Y394-L397 HydrophobicContact CD1-CD1 4.42Å; Y394-L397 PolarHBondContact O-N 2.97Å; Y394-D398 WeakPolarHBondContact O-CB 3.11Å; Y394-D398 PolarHBondContact O-N 2.94Å
395A50.7Low42.1Very low58 Ų58130 Ų13048%0.47962%0.617SS.*Hα-helixtrans-63.1-36.4174.800000112.9Q391 H392 Y393 V399Q391-A395 WeakPolarHBondContact O-CB 3.33Å; Q391-A395 PolarHBondContact O-N 3.18Å; H392-A395 PolarHBondContact O-N 3.01Å; Y393-A395 VanDerWaalsContact C-N 3.35Å; Y393-A395 PolarHBondContact O-N 3.29Å; A395-V399 WeakPolarHBondContact O-CG2 3.46Å; A395-V399 PolarHBondContact O-N 3.07Å
396Q43.9Very low42.7Very low97 Ų97129 Ų12945%0.45362%0.617SS.*Hα-helixtrans-69.5-39.6174.7-72.5179.7-10.900112.6H392 Y393 Y394 D398 V399 I400H392-Q396 PolarHBondContact NE2-NE2 2.75Å; H392-Q396 WeakPolarHBondContact O-CG 3.27Å; H392-Q396 PolarHBondContact O-N 3.36Å; H392-Q396 VanDerWaalsContact O-N 3.09Å; Y393-Q396 PolarHBondContact O-N 3.31Å; Y394-Q396 VanDerWaalsContact C-N 3.33Å; Y394-Q396 PolarHBondContact O-N 3.08Å; Q396-D398 VanDerWaalsContact C-N 3.34Å; Q396-V399 PolarHBondContact O-N 3.01Å; Q396-I400 WeakPolarHBondContact O-CG1 3.43Å; Q396-I400 PolarHBondContact O-N 3.2Å
397L41.3Very low42.3Very low93 Ų93130.6 Ų130.649%0.48763%0.626SS.*Hα-helixtrans-62.9-40.1174.1-70.9169000111.9Y393 Y394 V399 I400 Q401Y393-L397 WeakPolarHBondContact O-CG 3.45Å; Y393-L397 PolarHBondContact O-N 3.19Å; Y394-L397 HydrophobicContact CD1-CD1 4.42Å; Y394-L397 PolarHBondContact O-N 2.97Å; L397-V399 VanDerWaalsContact C-N 3.34Å; L397-V399 PolarHBondContact O-N 3.2Å; L397-I400 PolarHBondContact O-N 3.4Å; L397-I400 VanDerWaalsContact O-N 3.13Å; L397-Q401 WeakPolarHBondContact O-CG 3.24Å; L397-Q401 PolarHBondContact O-N 3.5Å
398D47.7Very low42.5Very low66 Ų66129.6 Ų129.635%0.35363%0.627SS.*Hα-helixtrans-63.7-37.7178.4-159.475.6000112Y394 Q396 Q401 R402Y394-D398 WeakPolarHBondContact O-CB 3.11Å; Y394-D398 PolarHBondContact O-N 2.94Å; Q396-D398 VanDerWaalsContact C-N 3.34Å; D398-Q401 PolarHBondContact O-N 3.22Å; D398-R402 VanDerWaalsContact O-CG 3.28Å; D398-R402 WeakPolarHBondContact O-CG 3.47Å; D398-R402 PolarHBondContact O-N 3.12Å; D398-R402 IonicContact OD2-CZ 2.61Å; D398-R402 IonicContact OD2-NE 3.85Å; D398-R402 PolarHBondContact OD2-NE 3.24Å; D398-R402 IonicContact OD2-NH2 3.91Å; D398-R402 PolarHBondContact OD2-NH2 2.81Å
399V51.6Low41.9Very low93 Ų93128.6 Ų128.656%0.56464%0.638SS**Hα-helixtrans-65.6-37172170.40000112.2A395 Q396 L397 R403A395-V399 WeakPolarHBondContact O-CG2 3.46Å; A395-V399 PolarHBondContact O-N 3.07Å; Q396-V399 PolarHBondContact O-N 3.01Å; L397-V399 VanDerWaalsContact C-N 3.34Å; L397-V399 PolarHBondContact O-N 3.2Å; V399-R403 PolarHBondContact O-N 3.17Å
400I45Very low41.4Very low104 Ų104126.2 Ų126.253%0.53365%0.645SS.*Hα-helixtrans-70.6-38.1176.2-66.7166.2000111.1Q396 L397 R403Q396-I400 WeakPolarHBondContact O-CG1 3.43Å; Q396-I400 PolarHBondContact O-N 3.2Å; L397-I400 PolarHBondContact O-N 3.4Å; L397-I400 VanDerWaalsContact O-N 3.13Å; I400-R403 PolarHBondContact O-N 2.84Å
401Q42Very low41.1Very low126 Ų126123.5 Ų123.559%0.58966%0.655SS**Hα-helixtrans-68.2-44.1177.8-75-177-16.600112.6L397 D398 R403 N404L397-Q401 WeakPolarHBondContact O-CG 3.24Å; L397-Q401 PolarHBondContact O-N 3.5Å; D398-Q401 PolarHBondContact O-N 3.22Å; Q401-R403 PolarHBondContact O-N 3.16Å; Q401-N404 PolarHBondContact O-N 2.88Å; Q401-N404 VanDerWaalsContact O-N 3.09Å
402R41.1Very low40.7Very low158 Ų158121.7 Ų121.760%0.59666%0.663SS**Hα-helixtrans-57.5-37.4175.6-70.5168.1-165.8-105.41112.2D398 N404 Q405D398-R402 VanDerWaalsContact O-CG 3.28Å; D398-R402 WeakPolarHBondContact O-CG 3.47Å; D398-R402 PolarHBondContact O-N 3.12Å; D398-R402 IonicContact OD2-CZ 2.61Å; D398-R402 IonicContact OD2-NE 3.85Å; D398-R402 PolarHBondContact OD2-NE 3.24Å; D398-R402 IonicContact OD2-NH2 3.91Å; D398-R402 PolarHBondContact OD2-NH2 2.81Å; R402-N404 PolarHBondContact O-N 2.69Å; R402-N404 VanDerWaalsContact O-N 3.11Å; R402-Q405 PolarHBondContact O-N 2.71Å; R402-Q405 VanDerWaalsContact O-N 3.07Å
403R42Very low40.9Very low219 Ų219121.7 Ų121.783%0.82667%0.674SS**THydrogen-bonded Turntrans-67.3-9.5180-151.7171.3-169.3161.12.7114.5V399 I400 Q401V399-R403 PolarHBondContact O-N 3.17Å; I400-R403 PolarHBondContact O-N 2.84Å; Q401-R403 PolarHBondContact O-N 3.16Å
404N41.4Very low40.6Very low141 Ų141120.8 Ų120.875%0.75469%0.686SS**THydrogen-bonded Turntrans-102.26.1174.2-75.2-41.1000113.7Q401 R402Q401-N404 PolarHBondContact O-N 2.88Å; Q401-N404 VanDerWaalsContact O-N 3.09Å; R402-N404 PolarHBondContact O-N 2.69Å; R402-N404 VanDerWaalsContact O-N 3.11Å
405Q37Very low40.2Very low149 Ų149118.4 Ų118.470%0.69669%0.693SS**  trans-103.6-12.4-176.5-69.5-176.3-22.200114.9R402 V407R402-Q405 PolarHBondContact O-N 2.71Å; R402-Q405 VanDerWaalsContact O-N 3.07Å; Q405-V407 PolarHBondContact O-N 3.49Å; Q405-V407 VanDerWaalsContact O-N 3.09Å
406D44.8Very low40Very low152 Ų152120.4 Ų120.481%0.81371%0.71SS**  trans-8764.1-177.5-73.9-45.1000114
407V34.8Very low39.6Very low132 Ų132121.5 Ų121.580%0.873%0.725SS**SBendtrans-135119154.3-175.70000108.2Q405Q405-V407 PolarHBondContact O-N 3.49Å; Q405-V407 VanDerWaalsContact O-N 3.09Å
408P35.4Very low39.4Very low129 Ų129122.8 Ų122.884%0.83873%0.733SS**  trans-75.2146.4-167.229.3-35.8000113.8
409A32.3Very low39.2Very low107 Ų107125.8 Ų125.888%0.88476%0.756SS**  trans-92.6131.1-175.200000114.1
410A32.2Very low38.8Very low104 Ų104124.6 Ų124.686%0.8676%0.756SS**  trans-154.4137158.900000107.9
411A31Very low38.4Very low101 Ų101123.5 Ų123.584%0.83576%0.762SS**  cis-144-177.4-2.400000110.7
412A34Very low38.2Very low96 Ų96124.9 Ų124.979%0.79377%0.773SS**PPolyproline II helixtrans-69159.6-178.500000113.6
413P46Very low38.1Very low121 Ų121125.5 Ų125.579%0.78678%0.783SS**PPolyproline II helixtrans-94.7155-157.436.2-36.8000115.6
414P32Very low38.2Very low124 Ų124126.1 Ų126.181%0.80579%0.785SS**PPolyproline II helixtrans-87.4160.8155.735.9-31.8000112.1
415S37.3Very low38Very low116 Ų116125.1 Ų125.181%0.81178%0.784SS**PPolyproline II helixtrans-73.7155.9-179.5500000114.5
416A47.4Very low38Very low101 Ų101124.6 Ų124.684%0.83579%0.785SS**PPolyproline II helixtrans-69.9146.1179.900000114.2
417P36.1Very low37.8Very low119 Ų119124 Ų12477%0.77378%0.782SS**  trans-114.9130.7163.635.7-25000113.9
418D36.3Very low38.1Very low121 Ų121123.6 Ų123.665%0.64778%0.779SS**  trans53.8117.2139.9-150.1-22.6000121.4A420D418-A420 PolarHBondContact O-N 3.42Å; D418-A420 VanDerWaalsContact O-N 3.07Å; D418-A420 WeakPolarHBondContact OD1-CB 3.42Å; D418-A420 PolarHBondContact OD1-N 3.27Å; D418-A420 VanDerWaalsContact OD1-N 3.1Å
419P42.5Very low38Very low128 Ų128123.6 Ų123.683%0.83177%0.772SS**G310 helixtrans-60.6-7.5170.3-24.335.7000117.1A421P419-A421 PolarHBondContact O-N 3.1Å; P419-A421 VanDerWaalsContact O-N 3.15Å
420A44Very low38.3Very low69 Ų69125 Ų12557%0.5776%0.764SS**G310 helixtrans-73.23-174.300000116.6D418D418-A420 PolarHBondContact O-N 3.42Å; D418-A420 VanDerWaalsContact O-N 3.07Å; D418-A420 WeakPolarHBondContact OD1-CB 3.42Å; D418-A420 PolarHBondContact OD1-N 3.27Å; D418-A420 VanDerWaalsContact OD1-N 3.1Å
421A36.4Very low38.7Very low81 Ų81127.9 Ų127.967%0.66976%0.76SS**G310 helixtrans-87.6-18.9-175.600000115.1P419 E423P419-A421 PolarHBondContact O-N 3.1Å; P419-A421 VanDerWaalsContact O-N 3.15Å; A421-E423 PolarHBondContact O-N 3.42Å
422L38.8Very low38.8Very low155 Ų155134 Ų13481%0.81276%0.763SS**G310 helixtrans-76.1-20.3-168.8-149.774.3000114.2R424L422-R424 PolarHBondContact O-N 3.37Å
423E39.2Very low38.8Very low171 Ų171140.6 Ų140.680%0.79977%0.768SS**G310 helixtrans-86.8-4.4-167.9-150170.7-139.300114.4A421A421-E423 PolarHBondContact O-N 3.42Å
424R42.7Very low38.8Very low231 Ų231141.5 Ų141.587%0.87277%0.766SS**G310 helixtrans-107.617.2-177.1-93.7-170.7-70.8-169.3-3.7116.3L422L422-R424 PolarHBondContact O-N 3.37Å
425V36.7Very low39.1Very low120 Ų120144.6 Ų144.673%0.72777%0.77SS**SBendtrans-111.6-2.5172.9-166.90000112.1D427V425-D427 VanDerWaalsContact C-N 3.33Å; V425-D427 PolarHBondContact O-N 2.84Å
426L37.6Very low39.6Very low138 Ų138147.2 Ų147.272%0.72377%0.774SS**THydrogen-bonded Turntrans-78.8-5.6-175.2-71.4172.1000115.5
427D41.4Very low39.7Very low139 Ų139145.6 Ų145.674%0.74377%0.767SS**THydrogen-bonded Turntrans-124.621.4-162.9-14515.9000114.6V425V425-D427 VanDerWaalsContact C-N 3.33Å; V425-D427 PolarHBondContact O-N 2.84Å
428V41.1Very low40.4Very low124 Ų124145.7 Ų145.775%0.75277%0.768SS**SBendtrans-124.4-23.9179-179.20000113.8
429N32.3Very low41Very low130 Ų130148 Ų14870%0.69578%0.779SS**SBendtrans-9417.5174.6-8711.6000113.7Q431N429-Q431 PolarHBondContact O-N 2.9Å; N429-Q431 VanDerWaalsContact O-N 3.15Å
430L40.1Very low41.7Very low136 Ų136145.6 Ų145.671%0.71276%0.762SS**  trans-87.445.7176-146.681.6000112.5
431Q39Very low42.6Very low164 Ų164148 Ų14877%0.76676%0.762SS**SBendtrans-160.2144.7170.4-104.5135.192.600108.7N429N429-Q431 PolarHBondContact O-N 2.9Å; N429-Q431 VanDerWaalsContact O-N 3.15Å
432Y34.3Very low43.5Very low230 Ų230148.3 Ų148.390%0.90276%0.757SS**  trans67.442-170.6-70.1-85.7000116.6
433W34.3Very low44.3Very low235 Ų235150 Ų15089%0.8975%0.754SS**  trans-105.875.7147.4-76.498.2000109.5
434D45.8Very low45.3Very low139 Ų139147.1 Ų147.174%0.74374%0.74SS**  trans-153.379.1169.8-166.35.2000111.3
435Q37.8Very low46.2Very low190 Ų190141 Ų14189%0.88872%0.724SS**  trans-167.9101158.5-120.6150.399.700110
436D48Very low47.3Very low171 Ų171140 Ų14091%0.91472%0.718SS**  trans-67.5139.2179.7-75.3-54.5000113.2
437G49.8Very low48.4Very low66 Ų66135 Ų13568%0.6870%0.697SS**  trans-152.8119.7167.800000110.2
438P51Low49.6Very low121 Ų121131 Ų13179%0.78668%0.683SS**  trans-69.9142.5-176.828.4-34.5000111.6V440P438-V440 WeakPolarHBondContact O-CG2 3.41Å; P438-V440 PolarHBondContact O-N 2.72Å
439L48.9Very low50.7Low170 Ų170127.7 Ų127.789%0.8967%0.668SS**  trans-63.3117.3177.8-156.282.3000110.2E441L439-E441 PolarHBondContact O-N 3.41Å
440V56.2Low52.3Low77 Ų77129 Ų12947%0.46766%0.664SS.*  trans-86.9104.3-173-175.10000110.7P438 Q444 L445P438-V440 WeakPolarHBondContact O-CG2 3.41Å; P438-V440 PolarHBondContact O-N 2.72Å; V440-Q444 HydrophobicContact CG1-CB 3.72Å; V440-L445 HydrophobicContact CB-CD2 4.47Å; V440-L445 HydrophobicContact CG1-CD2 3.83Å; V440-L445 HydrophobicContact CG1-CG 3.96Å
441E64.1Low53.6Low121 Ų121127 Ų12757%0.56565%0.653SS**  trans-49.9138.3173.7-82.6-66.6154.200112.7L439 Y443 Q444L439-E441 PolarHBondContact O-N 3.41Å; E441-Y443 PolarHBondContact O-N 3.34Å; E441-Q444 HydrophobicContact CB-CG 4.19Å; E441-Q444 WeakPolarHBondContact O-CA 3.47Å; E441-Q444 VanDerWaalsContact O-CB 3.3Å; E441-Q444 WeakPolarHBondContact O-CB 3.48Å; E441-Q444 PolarHBondContact O-N 2.84Å
442P55.5Low55.4Low87 Ų87123.6 Ų123.657%0.56564%0.638SS**Hα-helixtrans-56.3-31.8-172.4-28.736.4000115.1Q444 L445 V446P442-Q444 VanDerWaalsContact C-N 3.26Å; P442-Q444 PolarHBondContact O-N 3.47Å; P442-L445 PolarHBondContact O-N 3.42Å; P442-V446 PolarHBondContact O-N 3.44Å
443Y53.8Low57.3Low190 Ų190119.5 Ų119.575%0.74562%0.622SS**Hα-helixtrans-64.2-30.8175.1-175.8-103.1000112.8E441 V446 A447E441-Y443 PolarHBondContact O-N 3.34Å; Y443-V446 PolarHBondContact O-N 3.24Å; Y443-A447 WeakPolarHBondContact O-CB 3.45Å; Y443-A447 PolarHBondContact O-N 2.97Å
444Q61.7Low58.8Low110 Ų110112.2 Ų112.251%0.51460%0.6SS.*Hα-helixtrans-70.9-35176.2-58.5-171.74900111.7V440 E441 P442 A447 A448V440-Q444 HydrophobicContact CG1-CB 3.72Å; E441-Q444 HydrophobicContact CB-CG 4.19Å; E441-Q444 WeakPolarHBondContact O-CA 3.47Å; E441-Q444 VanDerWaalsContact O-CB 3.3Å; E441-Q444 WeakPolarHBondContact O-CB 3.48Å; E441-Q444 PolarHBondContact O-N 2.84Å; P442-Q444 VanDerWaalsContact C-N 3.26Å; P442-Q444 PolarHBondContact O-N 3.47Å; Q444-A447 PolarHBondContact O-N 2.9Å; Q444-A448 WeakPolarHBondContact O-CB 3.31Å; Q444-A448 PolarHBondContact O-N 3.43Å
445L62Low60.2Low104 Ų104111.3 Ų111.355%0.54559%0.591SS.*Hα-helixtrans-63.8-43.2172.7-63.9173.8000111.4V440 P442 A448 A449V440-L445 HydrophobicContact CB-CD2 4.47Å; V440-L445 HydrophobicContact CG1-CD2 3.83Å; V440-L445 HydrophobicContact CG1-CG 3.96Å; P442-L445 PolarHBondContact O-N 3.42Å; L445-A448 PolarHBondContact O-N 2.83Å; L445-A449 WeakPolarHBondContact O-CB 3.39Å; L445-A449 PolarHBondContact O-N 3.23Å
446V59.6Low61.6Low98 Ų98109.3 Ų109.359%0.59458%0.575SS**Hα-helixtrans-64.4-39.8174.8177.60000111.4P442 Y443 R450P442-V446 PolarHBondContact O-N 3.44Å; Y443-V446 PolarHBondContact O-N 3.24Å; V446-R450 VanDerWaalsContact O-CB 3.3Å; V446-R450 WeakPolarHBondContact O-CB 3.42Å; V446-R450 PolarHBondContact O-N 3Å
447A59.4Low62.8Low34 Ų34106.5 Ų106.528%0.28156%0.555SS.*Hα-helixtrans-65.7-41174.900000112.3Y443 Q444 R450 N451Y443-A447 WeakPolarHBondContact O-CB 3.45Å; Y443-A447 PolarHBondContact O-N 2.97Å; Q444-A447 PolarHBondContact O-N 2.9Å; A447-R450 PolarHBondContact O-N 2.84Å; A447-N451 WeakPolarHBondContact O-CB 3.41Å; A447-N451 PolarHBondContact O-N 3.31Å; A447-N451 PolarHBondContact O-ND2 3.5Å
448A67.6Low63.6Low54 Ų54108.9 Ų108.945%0.44655%0.548SS..Hα-helixtrans-62-53.1176.100000111.2Q444 L445 R450 N451 E452Q444-A448 WeakPolarHBondContact O-CB 3.31Å; Q444-A448 PolarHBondContact O-N 3.43Å; L445-A448 PolarHBondContact O-N 2.83Å; A448-R450 VanDerWaalsContact C-N 3.28Å; A448-R450 PolarHBondContact O-N 3.37Å; A448-N451 PolarHBondContact O-N 3.18Å; A448-E452 WeakPolarHBondContact O-CB 3.45Å; A448-E452 PolarHBondContact O-N 2.9Å
449A63.7Low64.8Low54 Ų54107.6 Ų107.645%0.44653%0.532SS..Hα-helixtrans-58.8-37.4177.700000112.6L445 Y453L445-A449 WeakPolarHBondContact O-CB 3.39Å; L445-A449 PolarHBondContact O-N 3.23Å; A449-Y453 WeakPolarHBondContact O-CB 3.29Å; A449-Y453 PolarHBondContact O-N 3.37Å
450R65.1Low65.5Low159 Ų159102.4 Ų102.460%0.651%0.513SS*.Hα-helixtrans-65-41.1174-179.7178.2175.3-82.73.9112.4V446 A447 A448 L454V446-R450 VanDerWaalsContact O-CB 3.3Å; V446-R450 WeakPolarHBondContact O-CB 3.42Å; V446-R450 PolarHBondContact O-N 3Å; A447-R450 PolarHBondContact O-N 2.84Å; A448-R450 VanDerWaalsContact C-N 3.28Å; A448-R450 PolarHBondContact O-N 3.37Å; R450-L454 HydrophobicContact CG-CD1 4.47Å; R450-L454 VanDerWaalsContact O-CG 3.31Å; R450-L454 WeakPolarHBondContact O-CG 3.46Å; R450-L454 PolarHBondContact O-N 3.04Å; R450-L454 VanDerWaalsContact O-N 3.13Å
451N68.3Low65.7Low92 Ų92103.3 Ų103.349%0.49252%0.515SS..Hα-helixtrans-71.5-40.4178.4-68.1-18.2000111.3A447 A448 Y453 L454 Q455A447-N451 WeakPolarHBondContact O-CB 3.41Å; A447-N451 PolarHBondContact O-N 3.31Å; A447-N451 PolarHBondContact O-ND2 3.5Å; A448-N451 PolarHBondContact O-N 3.18Å; N451-Y453 PolarHBondContact O-N 2.9Å; N451-L454 PolarHBondContact O-N 2.91Å; N451-Q455 WeakPolarHBondContact O-CB 3.46Å; N451-Q455 PolarHBondContact O-N 3.2Å
452E76.6Confident65.6Low94 Ų94101.2 Ų101.244%0.43951%0.506SS..Hα-helixtrans-60.5-43174.4-167.2-169.7177.300111.7A448 Q455 R456A448-E452 WeakPolarHBondContact O-CB 3.45Å; A448-E452 PolarHBondContact O-N 2.9Å; E452-Q455 PolarHBondContact O-N 3.45Å; E452-R456 PolarHBondContact O-N 3.37Å; E452-R456 IonicContact OE1-CZ 3.58Å; E452-R456 IonicContact OE1-NH1 3.52Å; E452-R456 PolarHBondContact OE1-NH1 2.89Å; E452-R456 IonicContact OE1-NH2 2.78Å; E452-R456 PolarHBondContact OE1-NH2 2.84Å; E452-R456 IonicContact OE2-NH1 3.45Å
453Y73.5Confident66.1Low143 Ų143105.4 Ų105.456%0.56151%0.511SS*.Hα-helixtrans-60.7-45172170-99.3000112.5A449 N451 Q455 R456 K457A449-Y453 WeakPolarHBondContact O-CB 3.29Å; A449-Y453 PolarHBondContact O-N 3.37Å; N451-Y453 PolarHBondContact O-N 2.9Å; Y453-Q455 VanDerWaalsContact C-N 3.33Å; Y453-Q455 PolarHBondContact O-N 3.43Å; Y453-R456 PolarHBondContact O-N 2.82Å; Y453-K457 HydrophobicContact CE1-CD 4.44Å; Y453-K457 WeakPolarHBondContact O-CB 3.41Å; Y453-K457 PolarHBondContact O-N 2.79Å
454L66.3Low66.9Low82 Ų82102.2 Ų102.243%0.42950%0.501SS..Hα-helixtrans-64.6-37.8177.3-72.1170.3000111.8R450 N451 K457 H458R450-L454 HydrophobicContact CG-CD1 4.47Å; R450-L454 VanDerWaalsContact O-CG 3.31Å; R450-L454 WeakPolarHBondContact O-CG 3.46Å; R450-L454 PolarHBondContact O-N 3.04Å; R450-L454 VanDerWaalsContact O-N 3.13Å; N451-L454 PolarHBondContact O-N 2.91Å; L454-K457 PolarHBondContact O-N 2.7Å; L454-H458 PolarHBondContact O-N 3.46Å
455Q74.9Confident66.8Low120 Ų120100.8 Ų100.856%0.56150%0.497SS*.Hα-helixtrans-66.5-50.5175.3179.3166.8-1800111.6N451 E452 Y453 K457 H458 E459N451-Q455 WeakPolarHBondContact O-CB 3.46Å; N451-Q455 PolarHBondContact O-N 3.2Å; E452-Q455 PolarHBondContact O-N 3.45Å; Y453-Q455 VanDerWaalsContact C-N 3.33Å; Y453-Q455 PolarHBondContact O-N 3.43Å; Q455-K457 PolarHBondContact O-N 2.81Å; Q455-H458 CarbonylContact O-C 3.6Å; Q455-H458 WeakPolarHBondContact O-CA 3.5Å; Q455-H458 WeakPolarHBondContact O-CB 3.47Å; Q455-H458 PolarHBondContact O-N 2.98Å; Q455-E459 HydrophobicContact CG-CG 4.39Å; Q455-E459 VanDerWaalsContact CG-OE1 3.24Å; Q455-E459 WeakPolarHBondContact CG-OE1 3.28Å; Q455-E459 PolarHBondContact NE2-OE1 3.22Å; Q455-E459 WeakPolarHBondContact O-CG 3.44Å; Q455-E459 PolarHBondContact O-N 3.36Å
456R66.9Low67.1Low148 Ų148103 Ų10356%0.55850%0.498SS*.Hα-helixtrans-59-35.4175.3-73.8-163.8-178.799.413.9112.5E452 Y453 E459 A460E452-R456 PolarHBondContact O-N 3.37Å; E452-R456 IonicContact OE1-CZ 3.58Å; E452-R456 IonicContact OE1-NH1 3.52Å; E452-R456 PolarHBondContact OE1-NH1 2.89Å; E452-R456 IonicContact OE1-NH2 2.78Å; E452-R456 PolarHBondContact OE1-NH2 2.84Å; E452-R456 IonicContact OE2-NH1 3.45Å; Y453-R456 PolarHBondContact O-N 2.82Å; R456-E459 PolarHBondContact O-N 3.01Å; R456-A460 VanDerWaalsContact O-CB 3.3Å; R456-A460 WeakPolarHBondContact O-CB 3.29Å; R456-A460 PolarHBondContact O-N 3.34Å
457K73.3Confident66.8Low112 Ų11299.8 Ų99.849%0.48748%0.482SS..Hα-helixtrans-65.2-37.6173.3-175.3173.6-178.5173.20112.5Y453 L454 Q455 N461Y453-K457 HydrophobicContact CE1-CD 4.44Å; Y453-K457 WeakPolarHBondContact O-CB 3.41Å; Y453-K457 PolarHBondContact O-N 2.79Å; L454-K457 PolarHBondContact O-N 2.7Å; Q455-K457 PolarHBondContact O-N 2.81Å; K457-N461 PolarHBondContact O-N 3.01Å; K457-N461 PolarHBondContact O-ND2 3.23Å
458H67.4Low67.1Low117 Ų117100.5 Ų100.554%0.54248%0.48SS..Hα-helixtrans-70.7-40.9174.2-175.7-93.8000112L454 Q455 N461 Q462L454-H458 PolarHBondContact O-N 3.46Å; Q455-H458 CarbonylContact O-C 3.6Å; Q455-H458 WeakPolarHBondContact O-CA 3.5Å; Q455-H458 WeakPolarHBondContact O-CB 3.47Å; Q455-H458 PolarHBondContact O-N 2.98Å; H458-N461 PolarHBondContact O-N 3.26Å; H458-Q462 WeakPolarHBondContact O-CG 3.49Å; H458-Q462 PolarHBondContact O-N 3.05Å
459E75.5Confident66.8Low94 Ų94104.8 Ų104.844%0.43949%0.488SS..Hα-helixtrans-65.8-41.5176.5-71.8168.9-176.300112.2Q455 R456 N461 Q462 Y463Q455-E459 HydrophobicContact CG-CG 4.39Å; Q455-E459 VanDerWaalsContact CG-OE1 3.24Å; Q455-E459 WeakPolarHBondContact CG-OE1 3.28Å; Q455-E459 PolarHBondContact NE2-OE1 3.22Å; Q455-E459 WeakPolarHBondContact O-CG 3.44Å; Q455-E459 PolarHBondContact O-N 3.36Å; R456-E459 PolarHBondContact O-N 3.01Å; E459-N461 VanDerWaalsContact C-N 3.34Å; E459-N461 PolarHBondContact O-N 3.28Å; E459-Q462 WeakPolarHBondContact O-CB 3.17Å; E459-Q462 PolarHBondContact O-N 2.71Å; E459-Y463 WeakPolarHBondContact O-CB 3.25Å; E459-Y463 PolarHBondContact O-N 2.82Å
460A63.9Low66.5Low60 Ų60110.3 Ų110.350%0.49651%0.505SS..Hα-helixtrans-61.2-41172.800000112.1R456 Y463 K464R456-A460 VanDerWaalsContact O-CB 3.3Å; R456-A460 WeakPolarHBondContact O-CB 3.29Å; R456-A460 PolarHBondContact O-N 3.34Å; A460-Y463 PolarHBondContact O-N 2.96Å; A460-K464 WeakPolarHBondContact O-CB 3.38Å; A460-K464 PolarHBondContact O-N 2.87Å
461N60.5Low65.8Low97 Ų97108.7 Ų108.752%0.51951%0.507SS..Hα-helixtrans-65.7-40.1173.4-79.1-25.5000112.3K457 H458 E459 L465K457-N461 PolarHBondContact O-N 3.01Å; K457-N461 PolarHBondContact O-ND2 3.23Å; H458-N461 PolarHBondContact O-N 3.26Å; E459-N461 VanDerWaalsContact C-N 3.34Å; E459-N461 PolarHBondContact O-N 3.28Å; N461-L465 WeakPolarHBondContact O-CB 3.34Å; N461-L465 PolarHBondContact O-N 3.28Å
462Q63Low65.1Low77 Ų77107.2 Ų107.236%0.3651%0.513SS..Hα-helixtrans-61-43.3172.5-78.5-89.4-32.300111.7H458 E459 L465 R466H458-Q462 WeakPolarHBondContact O-CG 3.49Å; H458-Q462 PolarHBondContact O-N 3.05Å; E459-Q462 WeakPolarHBondContact O-CB 3.17Å; E459-Q462 PolarHBondContact O-N 2.71Å; Q462-L465 PolarHBondContact O-N 3.4Å; Q462-R466 VanDerWaalsContact O-CG 3.29Å; Q462-R466 WeakPolarHBondContact O-CG 3.31Å; Q462-R466 PolarHBondContact O-N 2.74Å
463Y65.4Low63.7Low175 Ų175108.7 Ų108.769%0.68652%0.524SS*.Hα-helixtrans-67.6-43.7179.8-150.8-76.9000111.4E459 A460 L465 R466 A467E459-Y463 WeakPolarHBondContact O-CB 3.25Å; E459-Y463 PolarHBondContact O-N 2.82Å; A460-Y463 PolarHBondContact O-N 2.96Å; Y463-L465 VanDerWaalsContact C-N 3.33Å; Y463-L465 PolarHBondContact O-N 3.17Å; Y463-R466 PolarHBondContact O-N 2.91Å; Y463-A467 PolarHBondContact O-N 3.38Å
464K70.1Confident62.3Low123 Ų123109.1 Ų109.154%0.53552%0.524SS..Hα-helixtrans-54.2-48.5170.3175.4172.4174.1171.90111.4A460 R466 A467 E468A460-K464 WeakPolarHBondContact O-CB 3.38Å; A460-K464 PolarHBondContact O-N 2.87Å; K464-R466 VanDerWaalsContact C-N 3.3Å; K464-R466 PolarHBondContact O-N 3.48Å; K464-A467 PolarHBondContact O-N 3.18Å; K464-E468 WeakPolarHBondContact CE-OE1 3.4Å; K464-E468 HydrophobicContact CG-CG 4.38Å; K464-E468 IonicContact NZ-OE1 2.7Å; K464-E468 WeakPolarHBondContact O-CB 3.34Å; K464-E468 WeakPolarHBondContact O-CG 3.42Å; K464-E468 PolarHBondContact O-N 3.42Å
465L60.8Low60.9Low80 Ų80110.5 Ų110.542%0.41954%0.538SS..Hα-helixtrans-65.6-31.6-179.2-149.276.3000112.9N461 Q462 Y463 K469N461-L465 WeakPolarHBondContact O-CB 3.34Å; N461-L465 PolarHBondContact O-N 3.28Å; Q462-L465 PolarHBondContact O-N 3.4Å; Y463-L465 VanDerWaalsContact C-N 3.33Å; Y463-L465 PolarHBondContact O-N 3.17Å; L465-K469 WeakPolarHBondContact O-CB 3.42Å; L465-K469 PolarHBondContact O-N 2.81Å; L465-K469 VanDerWaalsContact O-N 3.08Å
466R66.8Low59.2Low149 Ų149111.3 Ų111.356%0.56256%0.555SS**Hα-helixtrans-71.3-43.7173.5-70169.1-161.1-175.86.3111.6Q462 Y463 K464 K469 Q470Q462-R466 VanDerWaalsContact O-CG 3.29Å; Q462-R466 WeakPolarHBondContact O-CG 3.31Å; Q462-R466 PolarHBondContact O-N 2.74Å; Y463-R466 PolarHBondContact O-N 2.91Å; K464-R466 VanDerWaalsContact C-N 3.3Å; K464-R466 PolarHBondContact O-N 3.48Å; R466-K469 PolarHBondContact O-N 3.11Å; R466-Q470 WeakPolarHBondContact O-CG 3.39Å; R466-Q470 PolarHBondContact O-N 3.08Å
467A54.5Low57.9Low32 Ų32109.9 Ų109.926%0.26456%0.563SS.*Hα-helixtrans-62.2-45.9174.400000111.5Y463 K464 K469 Q470 L471Y463-A467 PolarHBondContact O-N 3.38Å; K464-A467 PolarHBondContact O-N 3.18Å; A467-K469 VanDerWaalsContact C-N 3.3Å; A467-K469 PolarHBondContact O-N 2.84Å; A467-Q470 PolarHBondContact O-N 2.88Å; A467-L471 WeakPolarHBondContact O-CB 3.46Å; A467-L471 VanDerWaalsContact O-CG 3.26Å; A467-L471 WeakPolarHBondContact O-CG 3.13Å; A467-L471 PolarHBondContact O-N 3.04Å
468E65.1Low56.2Low49 Ų49108.9 Ų108.923%0.22958%0.576CS.*Hα-helixtrans-58.9-38.6174.4-73.4174.1169.900112.2K464 G472 L473K464-E468 WeakPolarHBondContact CE-OE1 3.4Å; K464-E468 HydrophobicContact CG-CG 4.38Å; K464-E468 IonicContact NZ-OE1 2.7Å; K464-E468 WeakPolarHBondContact O-CB 3.34Å; K464-E468 WeakPolarHBondContact O-CG 3.42Å; K464-E468 PolarHBondContact O-N 3.42Å; E468-G472 PolarHBondContact O-N 2.97Å; E468-L473 PolarHBondContact O-N 3.15Å
469K60.7Low54.8Low144 Ų144110.7 Ų110.763%0.62659%0.585SS**Hα-helixtrans-72.1-34.4175.7-169.1162.4-174.8165.40112.7L465 R466 A467 E479L465-K469 WeakPolarHBondContact O-CB 3.42Å; L465-K469 PolarHBondContact O-N 2.81Å; L465-K469 VanDerWaalsContact O-N 3.08Å; R466-K469 PolarHBondContact O-N 3.11Å; A467-K469 VanDerWaalsContact C-N 3.3Å; A467-K469 PolarHBondContact O-N 2.84Å; K469-E479 IonicContact NZ-OE1 2.7Å; K469-E479 PolarHBondContact NZ-OE1 2.9Å; K469-E479 IonicContact NZ-OE2 2.69Å
470Q58.2Low52.9Low170 Ų170111.5 Ų111.579%0.79460%0.601SS**Hα-helixtrans-72.1-29.4173.5-75.9175.8-29.200113.1R466 A467R466-Q470 WeakPolarHBondContact O-CG 3.39Å; R466-Q470 PolarHBondContact O-N 3.08Å; A467-Q470 PolarHBondContact O-N 2.88Å
471L51.1Low51.6Low125 Ų125116.3 Ų116.365%0.65462%0.618SS**THydrogen-bonded Turntrans-90-1.6178.4-65.9169.5000113.6A467 L473A467-L471 WeakPolarHBondContact O-CB 3.46Å; A467-L471 VanDerWaalsContact O-CG 3.26Å; A467-L471 WeakPolarHBondContact O-CG 3.13Å; A467-L471 PolarHBondContact O-N 3.04Å; L471-L473 VanDerWaalsContact C-N 3.27Å; L471-L473 HydrophobicContact CB-CD1 3.84Å; L471-L473 HydrophobicContact CB-CG 3.93Å; L471-L473 HydrophobicContact CD1-CD1 4.18Å; L471-L473 PolarHBondContact O-N 3.23Å
472G52.4Low50.4Low60 Ų60123.2 Ų123.262%0.61964%0.637SS**THydrogen-bonded Turntrans71.413.9178.700000115.2E468 R474E468-G472 PolarHBondContact O-N 2.97Å; G472-R474 PolarHBondContact O-N 3.36Å
473L48Very low48.9Very low125 Ų125129.1 Ų129.165%0.65466%0.661SS**  trans-80.826.1-168.8-65.4171.6000114.4E468 L471E468-L473 PolarHBondContact O-N 3.15Å; L471-L473 VanDerWaalsContact C-N 3.27Å; L471-L473 HydrophobicContact CB-CD1 3.84Å; L471-L473 HydrophobicContact CB-CG 3.93Å; L471-L473 HydrophobicContact CD1-CD1 4.18Å; L471-L473 PolarHBondContact O-N 3.23Å
474R42.9Very low47.7Very low153 Ų153127.4 Ų127.458%0.57767%0.671SS**SBendtrans-140.1130.1175.2-95.3-171.8173.5-155.3-3.2111.1G472 C476G472-R474 PolarHBondContact O-N 3.36Å; R474-C476 PolarHBondContact O-N 3.29Å
475P38.2Very low45.8Very low111 Ų111125.4 Ų125.472%0.72169%0.686SS**  trans-58.8132.5169.1-24.634.9000112.3T477P475-T477 PolarHBondContact O-N 2.83Å
476C37.8Very low44.4Very low136 Ų136125.4 Ų125.492%0.91971%0.705SS**THydrogen-bonded Turntrans-78.660.3-177.2-67.40000113.2R474R474-C476 PolarHBondContact O-N 3.29Å
477T39.8Very low42.8Very low119 Ų119126.6 Ų126.673%0.7372%0.717SS**THydrogen-bonded Turntrans-113.9-9.517854.20000114.2P475P475-T477 PolarHBondContact O-N 2.83Å
478A38.7Very low41.8Very low91 Ų91133 Ų13375%0.75274%0.741SS**THydrogen-bonded Turntrans-84.5-7.5-177.100000115.4
479E38.1Very low40.3Very low155 Ų155137.8 Ų137.872%0.72476%0.764SS**THydrogen-bonded Turntrans-118.119.2-177.5-68.5-178-148.600113.1K469 N481K469-E479 IonicContact NZ-OE1 2.7Å; K469-E479 PolarHBondContact NZ-OE1 2.9Å; K469-E479 IonicContact NZ-OE2 2.69Å; E479-N481 VanDerWaalsContact C-N 3.31Å; E479-N481 PolarHBondContact O-N 3.24Å
480S34.4Very low38.9Very low110 Ų110137.9 Ų137.977%0.76977%0.771SS**  trans-82.267.9175.9-174.30000112.7
481N36.5Very low37.6Very low162 Ų162133.8 Ų133.887%0.86677%0.766SS**  trans-148.254.5167.5-132.8-21.7000112.7E479E479-N481 VanDerWaalsContact C-N 3.31Å; E479-N481 PolarHBondContact O-N 3.24Å
482R36.3Very low36.7Very low242 Ų242132.1 Ų132.191%0.91377%0.771SS**SBendtrans-127.2142.2162.8-72.4-172.1173.7-170.9-1.6108.9
483K32Very low35.7Very low201 Ų201136.2 Ų136.287%0.87478%0.778SS**  trans-70148-175.6-64.4-179.7178.3-178.70111.2
484P38.7Very low34.9Very low138 Ų138137.6 Ų137.690%0.89678%0.781SS**  trans-71144.2170.331.2-34.7000111
485G31.6Very low34.4Very low81 Ų81135.6 Ų135.684%0.83578%0.782SS**  trans163.2123.9175.500000111.5
486G30.3Very low34.1Very low80 Ų80137.8 Ų137.883%0.82579%0.787SS**  trans123.9133.3-17100000110.9
487Q34Very low34.1Very low175 Ų175139.3 Ų139.382%0.81878%0.781SS**  trans-113.1-170.4-178.6-65.8166.3-107.900109.6
488E33.9Very low34Very low165 Ų165141.5 Ų141.577%0.77178%0.782SS**  trans73.6148.6158.9-68.5167-16700117.1
489Q32.9Very low34.2Very low150 Ų150144.3 Ų144.370%0.70178%0.778SS**  cis-166.3145.6-34.2-132167.41300107.9
490D31.1Very low34.4Very low146 Ų146141.8 Ų141.878%0.78178%0.775SS**  trans54.3-171.1157.4-60.4-19.1000116.8
491A31.2Very low34.7Very low84 Ų84143.3 Ų143.369%0.69477%0.774SS**  -154.1-177.9-69.700000107.7
492A32.6Very low34.8Very low91 Ų91140.6 Ų140.675%0.75276%0.756SS**  trans67152.7163.200000117.2
493L30.1Very low35.1Very low145 Ų145138.8 Ų138.876%0.75975%0.749SS**  cis-156.7156.1-14.4-98.7157000106.6
494H32.8Very low35.8Very low155 Ų155137 Ų13772%0.71874%0.741SS**  trans42.4117.3159.9-76.4-90.3000120.4
495D32.1Very low35.9Very low111 Ų111138.1 Ų138.159%0.59473%0.728SS**  79.5102.265.6176.534.5000114.4
496N30.6Very low36.7Very low157 Ų157139 Ų13984%0.8471%0.711SS**  trans-155.6139130.2-127.2-83.6000110.6
497Q38Very low38Very low168 Ų168137.3 Ų137.379%0.78569%0.693SS**  trans-91.6110.1179.3-60.7-177.916.700111.3
498H39Very low38.6Very low164 Ų164134.6 Ų134.676%0.75968%0.68SS**  trans-175.4155.4130.2-118.7-102.6000113.6
499F42.2Very low39.4Very low151 Ų151132.8 Ų132.866%0.66267%0.672SS**  trans60.5115.6176.6-67.3-84.9000117.8H502F499-H502 HydrophobicContact CD1-CB 3.6Å; F499-H502 HydrophobicContact CE1-CB 3.67Å
500P42.6Very low40.4Very low101 Ų101129.8 Ų129.866%0.65666%0.658SS**SBend-134.9-2.9115.738.3-31.4000115.8H502 R503 K504P500-H502 PolarHBondContact O-N 3.22Å; P500-R503 PolarHBondContact O-N 3.12Å; P500-K504 PolarHBondContact O-N 3.3Å
501L40Very low41.7Very low143 Ų143129.5 Ų129.575%0.74965%0.647SS**Hα-helixtrans-60.3-43.2-176.7-78.7171.4000113.3K504 Y505L501-K504 WeakPolarHBondContact O-CB 3.45Å; L501-K504 PolarHBondContact O-N 3.34Å; L501-Y505 PolarHBondContact O-N 2.96Å
502H39.1Very low43Very low105 Ų105130.2 Ų130.249%0.48664%0.639SS.*Hα-helixtrans-63.2-44.5179-158.1-92.7000111.8F499 P500 K504 Y505 E506F499-H502 HydrophobicContact CD1-CB 3.6Å; F499-H502 HydrophobicContact CE1-CB 3.67Å; P500-H502 PolarHBondContact O-N 3.22Å; H502-K504 PolarHBondContact O-N 3.41Å; H502-K504 VanDerWaalsContact O-N 3.14Å; H502-Y505 PolarHBondContact O-N 3.17Å; H502-E506 VanDerWaalsContact CE1-CD 3.42Å; H502-E506 IonicContact CE1-OE1 2.75Å; H502-E506 PolarHBondContact CE1-OE1 2.67Å; H502-E506 VanDerWaalsContact CE1-OE1 3.25Å; H502-E506 IonicContact CE1-OE2 3.74Å; H502-E506 IonicContact CG-OE2 2.94Å; H502-E506 IonicContact ND1-OE1 2.66Å; H502-E506 PolarHBondContact ND1-OE1 3.31Å; H502-E506 VanDerWaalsContact ND1-OE1 3.17Å; H502-E506 IonicContact ND1-OE2 3.4Å; H502-E506 PolarHBondContact ND1-OE2 3.17Å; H502-E506 WeakPolarHBondContact O-CG 3.29Å; H502-E506 PolarHBondContact O-N 3.29Å
503R42.1Very low44.7Very low203 Ų203134.3 Ų134.377%0.76664%0.635SS**Hα-helixtrans-56.7-31.4176-118-175.1-172.1179.34.4113.4P500 G507P500-R503 PolarHBondContact O-N 3.12Å; R503-G507 PolarHBondContact O-N 3.44Å
504K47.3Very low46.3Very low164 Ų164132.1 Ų132.171%0.71362%0.62SS**Hα-helixtrans-72.7-41.3178-144.7175.5-173-179.30111.3P500 L501 H502 Q508P500-K504 PolarHBondContact O-N 3.3Å; L501-K504 WeakPolarHBondContact O-CB 3.45Å; L501-K504 PolarHBondContact O-N 3.34Å; H502-K504 PolarHBondContact O-N 3.41Å; H502-K504 VanDerWaalsContact O-N 3.14Å; K504-Q508 VanDerWaalsContact O-CB 3.32Å; K504-Q508 WeakPolarHBondContact O-CB 3.47Å; K504-Q508 PolarHBondContact O-N 3.42Å; K504-Q508 VanDerWaalsContact O-N 3.14Å
505Y41Very low47.5Very low162 Ų162127.6 Ų127.664%0.63560%0.601SS**Hα-helixtrans-69.6-43.2173.2-98.2-87000112.7L501 H502 Q508 Q509L501-Y505 PolarHBondContact O-N 2.96Å; H502-Y505 PolarHBondContact O-N 3.17Å; Y505-Q508 PolarHBondContact O-N 3.07Å; Y505-Q509 PolarHBondContact O-N 2.92Å
506E47.2Very low48.8Very low100 Ų100125.9 Ų125.947%0.46759%0.592SS.*Hα-helixtrans-60.7-49.3175.3-73.4170.3131.200111.2H502 Q508 Q509 E510H502-E506 VanDerWaalsContact CE1-CD 3.42Å; H502-E506 IonicContact CE1-OE1 2.75Å; H502-E506 PolarHBondContact CE1-OE1 2.67Å; H502-E506 VanDerWaalsContact CE1-OE1 3.25Å; H502-E506 IonicContact CE1-OE2 3.74Å; H502-E506 IonicContact CG-OE2 2.94Å; H502-E506 IonicContact ND1-OE1 2.66Å; H502-E506 PolarHBondContact ND1-OE1 3.31Å; H502-E506 VanDerWaalsContact ND1-OE1 3.17Å; H502-E506 IonicContact ND1-OE2 3.4Å; H502-E506 PolarHBondContact ND1-OE2 3.17Å; H502-E506 WeakPolarHBondContact O-CG 3.29Å; H502-E506 PolarHBondContact O-N 3.29Å; E506-Q508 PolarHBondContact O-N 3.41Å; E506-Q509 PolarHBondContact O-N 3.25Å; E506-E510 VanDerWaalsContact O-CB 3.24Å; E506-E510 WeakPolarHBondContact O-CB 3.36Å; E506-E510 PolarHBondContact O-N 3.29Å
507G57.4Low50.8Low44 Ų44123.9 Ų123.945%0.45458%0.581SS.*Hα-helixtrans-59.6-32.4175.800000113.2R503 Y511R503-G507 PolarHBondContact O-N 3.44Å; G507-Y511 WeakPolarHBondContact O-CB 3.43Å; G507-Y511 PolarHBondContact O-N 2.97Å
508Q46.7Very low52.4Low117 Ų117121.2 Ų121.255%0.54757%0.571SS.*Hα-helixtrans-77.6-36.3177.6-165.1167.512.500112.8K504 Y505 E506 L512K504-Q508 VanDerWaalsContact O-CB 3.32Å; K504-Q508 WeakPolarHBondContact O-CB 3.47Å; K504-Q508 PolarHBondContact O-N 3.42Å; K504-Q508 VanDerWaalsContact O-N 3.14Å; Y505-Q508 PolarHBondContact O-N 3.07Å; E506-Q508 PolarHBondContact O-N 3.41Å; Q508-L512 VanDerWaalsContact O-CG 3.31Å; Q508-L512 WeakPolarHBondContact O-CG 3.45Å; Q508-L512 PolarHBondContact O-N 3.07Å; Q508-L512 VanDerWaalsContact O-N 3.09Å
509Q50.5Low53.4Low127 Ų127120.5 Ų120.559%0.59356%0.561SS**Hα-helixtrans-71.5-38.1172-71.5-168.713.200112.3Y505 E506 L512 R513Y505-Q509 PolarHBondContact O-N 2.92Å; E506-Q509 PolarHBondContact O-N 3.25Å; Q509-L512 PolarHBondContact O-N 3.12Å; Q509-R513 PolarHBondContact O-N 2.99Å
510E55.2Low54.7Low88 Ų88118.9 Ų118.941%0.41156%0.556SS.*Hα-helixtrans-66.6-39.3176.1-166.759.6-157.200110.8E506 R513 Q514E506-E510 VanDerWaalsContact O-CB 3.24Å; E506-E510 WeakPolarHBondContact O-CB 3.36Å; E506-E510 PolarHBondContact O-N 3.29Å; E510-R513 WeakPolarHBondContact O-CB 3.33Å; E510-R513 PolarHBondContact O-N 3.48Å; E510-R513 IonicContact OE2-NH1 2.75Å; E510-Q514 WeakPolarHBondContact O-CB 3.45Å; E510-Q514 VanDerWaalsContact O-CG 3.27Å; E510-Q514 WeakPolarHBondContact O-CG 3.46Å; E510-Q514 PolarHBondContact O-N 2.66Å
511Y58.1Low55.9Low140 Ų140119.2 Ų119.255%0.54955%0.549SS..Hα-helixtrans-60.5-43.8170175.2-109.1000112.9G507 Q514 L515G507-Y511 WeakPolarHBondContact O-CB 3.43Å; G507-Y511 PolarHBondContact O-N 2.97Å; Y511-Q514 PolarHBondContact O-N 3.09Å; Y511-L515 HydrophobicContact CD1-CD1 4.1Å; Y511-L515 HydrophobicContact CE1-CD1 3.53Å; Y511-L515 HydrophobicContact CE1-CG 4.38Å; Y511-L515 HydrophobicContact CE2-CD1 4.25Å; Y511-L515 HydrophobicContact CE2-CG 4.3Å; Y511-L515 PolarHBondContact O-N 3.25Å
512L58.5Low57.2Low99 Ų99119 Ų11952%0.51854%0.539SS..Hα-helixtrans-65.6-41.5176.2-72.9168.6000112Q508 Q509 Q514 L515 D516Q508-L512 VanDerWaalsContact O-CG 3.31Å; Q508-L512 WeakPolarHBondContact O-CG 3.45Å; Q508-L512 PolarHBondContact O-N 3.07Å; Q508-L512 VanDerWaalsContact O-N 3.09Å; Q509-L512 PolarHBondContact O-N 3.12Å; L512-Q514 PolarHBondContact O-N 3.43Å; L512-L515 PolarHBondContact O-N 3.42Å; L512-D516 PolarHBondContact O-N 2.98Å
513R69Low58.4Low176 Ų176119.2 Ų119.266%0.66454%0.54SS*.Hα-helixtrans-57.4-46.3170.8-88.5-175.7173.9156.5-0.8112.2Q509 E510 D516 L517Q509-R513 PolarHBondContact O-N 2.99Å; E510-R513 WeakPolarHBondContact O-CB 3.33Å; E510-R513 PolarHBondContact O-N 3.48Å; E510-R513 IonicContact OE2-NH1 2.75Å; R513-D516 PolarHBondContact O-N 3.03Å; R513-L517 VanDerWaalsContact O-CB 3.31Å; R513-L517 WeakPolarHBondContact O-CB 3.35Å; R513-L517 PolarHBondContact O-N 3.48Å
514Q63.2Low59.7Low99 Ų99114.2 Ų114.246%0.46353%0.525SS..Hα-helixtrans-65.1-39.8180-73.1173.514.400111.5E510 Y511 L512 L517 I518E510-Q514 WeakPolarHBondContact O-CB 3.45Å; E510-Q514 VanDerWaalsContact O-CG 3.27Å; E510-Q514 WeakPolarHBondContact O-CG 3.46Å; E510-Q514 PolarHBondContact O-N 2.66Å; Y511-Q514 PolarHBondContact O-N 3.09Å; L512-Q514 PolarHBondContact O-N 3.43Å; Q514-L517 PolarHBondContact O-N 2.96Å; Q514-I518 WeakPolarHBondContact O-CB 3.43Å; Q514-I518 WeakPolarHBondContact O-CD1 3.33Å; Q514-I518 WeakPolarHBondContact O-CG1 3.29Å; Q514-I518 PolarHBondContact O-N 2.85Å
515L56.9Low60.8Low60 Ų60110.4 Ų110.431%0.31451%0.51SS..Hα-helixtrans-61.5-45.5173.2-78.6176.5000112.8Y511 L512 I518 R519Y511-L515 HydrophobicContact CD1-CD1 4.1Å; Y511-L515 HydrophobicContact CE1-CD1 3.53Å; Y511-L515 HydrophobicContact CE1-CG 4.38Å; Y511-L515 HydrophobicContact CE2-CD1 4.25Å; Y511-L515 HydrophobicContact CE2-CG 4.3Å; Y511-L515 PolarHBondContact O-N 3.25Å; L512-L515 PolarHBondContact O-N 3.42Å; L515-I518 PolarHBondContact O-N 3.23Å; L515-R519 WeakPolarHBondContact O-CG 3.3Å; L515-R519 PolarHBondContact O-N 3.34Å
516D60.3Low62Low75 Ų75104.4 Ų104.440%0.40149%0.49SS..Hα-helixtrans-72.7-30.8178.9-81.4-11.2000112.7L512 R513 R519 Q520L512-D516 PolarHBondContact O-N 2.98Å; R513-D516 PolarHBondContact O-N 3.03Å; D516-R519 PolarHBondContact O-N 3.32Å; D516-R519 VanDerWaalsContact OD1-CD 3.31Å; D516-R519 WeakPolarHBondContact OD1-CD 3.38Å; D516-R519 IonicContact OD1-CZ 3.8Å; D516-R519 IonicContact OD1-NE 3.87Å; D516-R519 IonicContact OD1-NH1 2.91Å; D516-R519 PolarHBondContact OD1-NH1 3.45Å; D516-Q520 WeakPolarHBondContact O-CB 3.44Å; D516-Q520 VanDerWaalsContact O-CG 3.28Å; D516-Q520 WeakPolarHBondContact O-CG 3.46Å; D516-Q520 PolarHBondContact O-N 3.26Å
517L73.4Confident63.1Low115 Ų115106.9 Ų106.960%0.60250%0.495SS*.Hα-helixtrans-64.2-44.3170.7-165.472000111R513 Q514 Q520 Q521R513-L517 VanDerWaalsContact O-CB 3.31Å; R513-L517 WeakPolarHBondContact O-CB 3.35Å; R513-L517 PolarHBondContact O-N 3.48Å; Q514-L517 PolarHBondContact O-N 2.96Å; L517-Q520 PolarHBondContact O-N 2.88Å; L517-Q521 WeakPolarHBondContact O-CB 3.45Å; L517-Q521 PolarHBondContact O-N 3Å
518I69.9Low63.8Low112 Ų112109.1 Ų109.157%0.57449%0.494SS*.Hα-helixtrans-64.1-38.9175.3-70164000111.4Q514 L515 Y522Q514-I518 WeakPolarHBondContact O-CB 3.43Å; Q514-I518 WeakPolarHBondContact O-CD1 3.33Å; Q514-I518 WeakPolarHBondContact O-CG1 3.29Å; Q514-I518 PolarHBondContact O-N 2.85Å; L515-I518 PolarHBondContact O-N 3.23Å; I518-Y522 WeakPolarHBondContact O-CB 3.39Å; I518-Y522 PolarHBondContact O-N 3.42Å
519R60.1Low64.5Low149 Ų149109 Ų10956%0.56250%0.495SS*.Hα-helixtrans-63.9-45173-75.7163.9164.2174.7-5.9112L515 D516 Y522 H523L515-R519 WeakPolarHBondContact O-CG 3.3Å; L515-R519 PolarHBondContact O-N 3.34Å; D516-R519 PolarHBondContact O-N 3.32Å; D516-R519 VanDerWaalsContact OD1-CD 3.31Å; D516-R519 WeakPolarHBondContact OD1-CD 3.38Å; D516-R519 IonicContact OD1-CZ 3.8Å; D516-R519 IonicContact OD1-NE 3.87Å; D516-R519 IonicContact OD1-NH1 2.91Å; D516-R519 PolarHBondContact OD1-NH1 3.45Å; R519-Y522 PolarHBondContact O-N 3.22Å; R519-H523 WeakPolarHBondContact O-CB 3.2Å; R519-H523 PolarHBondContact O-CD2 2.84Å; R519-H523 PolarHBondContact O-N 2.85Å
520Q69.5Low65.1Low117 Ų117111 Ų11155%0.54750%0.497SS..Hα-helixtrans-64.2-42.7177.6-73.9179.242.100111.5D516 L517 H523 Q524D516-Q520 WeakPolarHBondContact O-CB 3.44Å; D516-Q520 VanDerWaalsContact O-CG 3.28Å; D516-Q520 WeakPolarHBondContact O-CG 3.46Å; D516-Q520 PolarHBondContact O-N 3.26Å; L517-Q520 PolarHBondContact O-N 2.88Å; Q520-H523 CarbonylContact O-C 3.59Å; Q520-H523 PolarHBondContact O-N 3.11Å; Q520-Q524 WeakPolarHBondContact O-CG 3.33Å; Q520-Q524 PolarHBondContact O-N 3.16Å
521Q68.1Low65.6Low108 Ų108112.7 Ų112.751%0.50551%0.505SS..Hα-helixtrans-54.6-54.9171.5179.698.619.500110.5L517 H523 Q524 E525L517-Q521 WeakPolarHBondContact O-CB 3.45Å; L517-Q521 PolarHBondContact O-N 3Å; Q521-H523 VanDerWaalsContact C-N 3.33Å; Q521-H523 PolarHBondContact O-N 3.08Å; Q521-Q524 CarbonylContact O-C 3.59Å; Q521-Q524 WeakPolarHBondContact O-CA 3.4Å; Q521-Q524 WeakPolarHBondContact O-CB 3.38Å; Q521-Q524 PolarHBondContact O-N 3.03Å; Q521-E525 VanDerWaalsContact CG-OE1 3.29Å; Q521-E525 WeakPolarHBondContact CG-OE1 3.42Å; Q521-E525 PolarHBondContact NE2-OE1 3.21Å; Q521-E525 WeakPolarHBondContact O-CG 3.39Å; Q521-E525 PolarHBondContact O-N 2.83Å
522Y67.2Low65.9Low140 Ų140113.9 Ų113.955%0.54951%0.508SS..Hα-helixtrans-56.4-43.7177.6176-104.2000112.6I518 R519 Q524 E525 V526I518-Y522 WeakPolarHBondContact O-CB 3.39Å; I518-Y522 PolarHBondContact O-N 3.42Å; R519-Y522 PolarHBondContact O-N 3.22Å; Y522-Q524 VanDerWaalsContact C-N 3.27Å; Y522-Q524 PolarHBondContact O-N 3.3Å; Y522-E525 PolarHBondContact O-N 3.42Å; Y522-V526 HydrophobicContact CD1-CG2 4.43Å; Y522-V526 HydrophobicContact CD2-CG2 4.2Å; Y522-V526 HydrophobicContact CE1-CG2 4.05Å; Y522-V526 HydrophobicContact CE2-CG2 3.79Å; Y522-V526 WeakPolarHBondContact O-CB 3.46Å; Y522-V526 VanDerWaalsContact O-CG2 3.31Å; Y522-V526 WeakPolarHBondContact O-CG2 3Å; Y522-V526 PolarHBondContact O-N 3Å
523H64.3Low66Low108 Ų108112.5 Ų112.550%0.551%0.511SS..Hα-helixtrans-73-13.4176.4-69.6-54.1000114.3R519 Q520 Q521 R527R519-H523 WeakPolarHBondContact O-CB 3.2Å; R519-H523 PolarHBondContact O-CD2 2.84Å; R519-H523 PolarHBondContact O-N 2.85Å; Q520-H523 CarbonylContact O-C 3.59Å; Q520-H523 PolarHBondContact O-N 3.11Å; Q521-H523 VanDerWaalsContact C-N 3.33Å; Q521-H523 PolarHBondContact O-N 3.08Å; H523-R527 PolarHBondContact O-NE 3.05Å; H523-R527 PolarHBondContact O-NH2 3.5Å
524Q71.1Confident65.4Low98 Ų98111.4 Ų111.446%0.45851%0.514SS..Hα-helixtrans-85.8-45.6167.4-72.3178.533.800110.6Q520 Q521 Y522 V526 R527 Q528Q520-Q524 WeakPolarHBondContact O-CG 3.33Å; Q520-Q524 PolarHBondContact O-N 3.16Å; Q521-Q524 CarbonylContact O-C 3.59Å; Q521-Q524 WeakPolarHBondContact O-CA 3.4Å; Q521-Q524 WeakPolarHBondContact O-CB 3.38Å; Q521-Q524 PolarHBondContact O-N 3.03Å; Y522-Q524 VanDerWaalsContact C-N 3.27Å; Y522-Q524 PolarHBondContact O-N 3.3Å; Q524-V526 PolarHBondContact O-N 3.4Å; Q524-R527 CarbonylContact O-C 3.59Å; Q524-R527 WeakPolarHBondContact O-CA 3.29Å; Q524-R527 WeakPolarHBondContact O-CB 3.26Å; Q524-R527 PolarHBondContact O-N 3.04Å; Q524-Q528 WeakPolarHBondContact O-CG 3.29Å; Q524-Q528 PolarHBondContact O-N 2.9Å
525E69.8Low64.8Low84 Ų84110.7 Ų110.739%0.39352%0.519SS..Hα-helixtrans-60.3-43177.3-71.4171.2-177.500111.8Q521 Y522 R527 Q528 M529Q521-E525 VanDerWaalsContact CG-OE1 3.29Å; Q521-E525 WeakPolarHBondContact CG-OE1 3.42Å; Q521-E525 PolarHBondContact NE2-OE1 3.21Å; Q521-E525 WeakPolarHBondContact O-CG 3.39Å; Q521-E525 PolarHBondContact O-N 2.83Å; Y522-E525 PolarHBondContact O-N 3.42Å; E525-R527 VanDerWaalsContact C-N 3.29Å; E525-R527 PolarHBondContact O-N 3.12Å; E525-Q528 PolarHBondContact O-N 3.12Å; E525-M529 WeakPolarHBondContact O-CG 3.05Å; E525-M529 PolarHBondContact O-N 2.93Å
526V64.9Low64.3Low37 Ų37114.7 Ų114.722%0.22454%0.536CS..Hα-helixtrans-63.2-32.6173.4171.20000112.4Y522 Q524 M529 R530Y522-V526 HydrophobicContact CD1-CG2 4.43Å; Y522-V526 HydrophobicContact CD2-CG2 4.2Å; Y522-V526 HydrophobicContact CE1-CG2 4.05Å; Y522-V526 HydrophobicContact CE2-CG2 3.79Å; Y522-V526 WeakPolarHBondContact O-CB 3.46Å; Y522-V526 VanDerWaalsContact O-CG2 3.31Å; Y522-V526 WeakPolarHBondContact O-CG2 3Å; Y522-V526 PolarHBondContact O-N 3Å; Q524-V526 PolarHBondContact O-N 3.4Å; V526-M529 HydrophobicContact CB-CE 4.47Å; V526-M529 HydrophobicContact CG2-CE 3.95Å; V526-R530 WeakPolarHBondContact O-CG 3.41Å; V526-R530 PolarHBondContact O-N 3.35Å
527R70.3Confident63.5Low151 Ų151116.7 Ų116.757%0.5755%0.553SS**Hα-helixtrans-73.2-40.6173.2-86.4-179-75.1177.6-3.4112H523 Q524 E525 M529 R530 Q531H523-R527 PolarHBondContact O-NE 3.05Å; H523-R527 PolarHBondContact O-NH2 3.5Å; Q524-R527 CarbonylContact O-C 3.59Å; Q524-R527 WeakPolarHBondContact O-CA 3.29Å; Q524-R527 WeakPolarHBondContact O-CB 3.26Å; Q524-R527 PolarHBondContact O-N 3.04Å; E525-R527 VanDerWaalsContact C-N 3.29Å; E525-R527 PolarHBondContact O-N 3.12Å; R527-M529 VanDerWaalsContact C-N 3.34Å; R527-M529 PolarHBondContact O-N 3.28Å; R527-R530 PolarHBondContact O-N 3.23Å; R527-Q531 WeakPolarHBondContact O-CB 3.17Å; R527-Q531 WeakPolarHBondContact O-CG 3.41Å; R527-Q531 PolarHBondContact O-N 3.24Å
528Q72.4Confident62Low92 Ų92120.1 Ų120.143%0.4357%0.567SS.*Hα-helixtrans-65.4-35.8174.7-69.1179.824.300112Q524 E525 Q531 R532Q524-Q528 WeakPolarHBondContact O-CG 3.29Å; Q524-Q528 PolarHBondContact O-N 2.9Å; E525-Q528 PolarHBondContact O-N 3.12Å; Q528-Q531 PolarHBondContact O-N 3.29Å; Q528-R532 WeakPolarHBondContact O-CB 3.45Å; Q528-R532 WeakPolarHBondContact O-CG 3.43Å; Q528-R532 PolarHBondContact O-N 3.31Å
529M62.7Low60.6Low115 Ų115123.3 Ų123.357%0.56758%0.579SS**Hα-helixtrans-65.5-41.7173.3-75-171.9-70.300112.2E525 V526 R527 R532 A533E525-M529 WeakPolarHBondContact O-CG 3.05Å; E525-M529 PolarHBondContact O-N 2.93Å; V526-M529 HydrophobicContact CB-CE 4.47Å; V526-M529 HydrophobicContact CG2-CE 3.95Å; R527-M529 VanDerWaalsContact C-N 3.34Å; R527-M529 PolarHBondContact O-N 3.28Å; M529-R532 PolarHBondContact O-N 3.07Å; M529-A533 PolarHBondContact O-N 3.15Å
530R62.9Low60.1Low168 Ų168125.5 Ų125.563%0.63459%0.593SS**Hα-helixtrans-62.9-49.2172.7-73.2-177.5-177.5-161.4-0.5111.8V526 R527 R532 A533 E534V526-R530 WeakPolarHBondContact O-CG 3.41Å; V526-R530 PolarHBondContact O-N 3.35Å; R527-R530 PolarHBondContact O-N 3.23Å; R530-R532 VanDerWaalsContact C-N 3.27Å; R530-R532 PolarHBondContact O-N 3.37Å; R530-A533 CarbonylContact O-C 3.58Å; R530-A533 PolarHBondContact O-N 3.28Å; R530-A533 VanDerWaalsContact O-N 3.16Å; R530-E534 WeakPolarHBondContact O-CB 3.41Å; R530-E534 VanDerWaalsContact O-CG 3.29Å; R530-E534 WeakPolarHBondContact O-CG 3.39Å; R530-E534 PolarHBondContact O-N 2.97Å
531Q64.4Low58.4Low124 Ų124129 Ų12958%0.57961%0.609SS**Hα-helixtrans-61.6-33.2177.7-73.8178.9-2900112.8R527 Q528 S535R527-Q531 WeakPolarHBondContact O-CB 3.17Å; R527-Q531 WeakPolarHBondContact O-CG 3.41Å; R527-Q531 PolarHBondContact O-N 3.24Å; Q528-Q531 PolarHBondContact O-N 3.29Å; Q531-S535 WeakPolarHBondContact O-CB 3.28Å; Q531-S535 PolarHBondContact O-N 3.4Å; Q531-S535 VanDerWaalsContact O-N 3.08Å; Q531-S535 PolarHBondContact O-OG 2.92Å; Q531-S535 VanDerWaalsContact O-OG 3.11Å
532R66.2Low56.8Low165 Ų165133.8 Ų133.862%0.62362%0.622SS**Hα-helixtrans-64.9-51.9171.3-80.1178.9-178.5164.33.9111.6Q528 M529 R530 E534 S535 E536Q528-R532 WeakPolarHBondContact O-CB 3.45Å; Q528-R532 WeakPolarHBondContact O-CG 3.43Å; Q528-R532 PolarHBondContact O-N 3.31Å; M529-R532 PolarHBondContact O-N 3.07Å; R530-R532 VanDerWaalsContact C-N 3.27Å; R530-R532 PolarHBondContact O-N 3.37Å; R532-E534 PolarHBondContact O-N 3.48Å; R532-S535 WeakPolarHBondContact CA-OG 3.31Å; R532-S535 CarbonylContact O-C 3.54Å; R532-S535 WeakPolarHBondContact O-CA 3.38Å; R532-S535 PolarHBondContact O-N 2.97Å; R532-S535 PolarHBondContact O-OG 3.3Å; R532-E536 PolarHBondContact O-N 3.3Å
533A59Low55.1Low70 Ų70133.9 Ų133.958%0.57964%0.638SS**Hα-helixtrans-62.4-26.117700000113.7M529 R530M529-A533 PolarHBondContact O-N 3.15Å; R530-A533 CarbonylContact O-C 3.58Å; R530-A533 PolarHBondContact O-N 3.28Å; R530-A533 VanDerWaalsContact O-N 3.16Å
534E56.6Low53.8Low153 Ų153137.4 Ų137.472%0.71565%0.652SS**THydrogen-bonded Turntrans-83.1-10.4172.3-69.9162.1-169.700113.1R530 R532R530-E534 WeakPolarHBondContact O-CB 3.41Å; R530-E534 VanDerWaalsContact O-CG 3.29Å; R530-E534 WeakPolarHBondContact O-CG 3.39Å; R530-E534 PolarHBondContact O-N 2.97Å; R532-E534 PolarHBondContact O-N 3.48Å
535S51.2Low51.9Low83 Ų83138.7 Ų138.758%0.5867%0.666SS**THydrogen-bonded Turntrans-111.4-13.2-178.7730000114.9Q531 R532Q531-S535 WeakPolarHBondContact O-CB 3.28Å; Q531-S535 PolarHBondContact O-N 3.4Å; Q531-S535 VanDerWaalsContact O-N 3.08Å; Q531-S535 PolarHBondContact O-OG 2.92Å; Q531-S535 VanDerWaalsContact O-OG 3.11Å; R532-S535 WeakPolarHBondContact CA-OG 3.31Å; R532-S535 CarbonylContact O-C 3.54Å; R532-S535 WeakPolarHBondContact O-CA 3.38Å; R532-S535 PolarHBondContact O-N 2.97Å; R532-S535 PolarHBondContact O-OG 3.3Å
536E45.5Very low50.1Low144 Ų144141.1 Ų141.167%0.67369%0.687SS**SBendtrans-64.4125.7172.6-78.3179.4162.900109.6R532 Q538R532-E536 PolarHBondContact O-N 3.3Å; E536-Q538 PolarHBondContact O-N 2.98Å
537P43.6Very low48.5Very low117 Ų117147.7 Ų147.776%0.7672%0.715SS**  trans-62.1128.6176.5-2132.6000110.2E539P537-E539 VanDerWaalsContact C-N 3.29Å; P537-E539 PolarHBondContact O-N 2.74Å
538Q41.8Very low46.5Very low188 Ų188150.3 Ų150.388%0.87973%0.73SS**  trans-66.689.3168.4-75.9-170-35.500110.1E536 K540E536-Q538 PolarHBondContact O-N 2.98Å; Q538-K540 PolarHBondContact O-N 2.68Å
539E41.3Very low44.5Very low179 Ų179150 Ų15084%0.83674%0.744SS**  trans-57.9121.6159.5-74.1-151129.800108.5P537 Q541P537-E539 VanDerWaalsContact C-N 3.29Å; P537-E539 PolarHBondContact O-N 2.74Å; E539-Q541 VanDerWaalsContact C-N 3.31Å; E539-Q541 PolarHBondContact O-N 3.18Å
540K49.3Very low43Very low195 Ų195156.1 Ų156.185%0.84876%0.761SS**  trans-73.285.1-173.2-65.1176.4-178.4175.60109.7Q538 R542Q538-K540 PolarHBondContact O-N 2.68Å; K540-R542 PolarHBondContact O-N 3.13Å
541Q33.4Very low41.4Very low190 Ų190155.8 Ų155.889%0.88877%0.771SS**  trans-57.3105171-71.5-166.9-9.700109.2E539E539-Q541 VanDerWaalsContact C-N 3.31Å; E539-Q541 PolarHBondContact O-N 3.18Å
542R34.3Very low40.1Very low209 Ų209155.3 Ų155.379%0.78978%0.779SS**  trans-69.9129.8178.2-69.5177171.7174.9-3.7108.8K540 F544K540-R542 PolarHBondContact O-N 3.13Å; R542-F544 HydrophobicContact CB-CE2 4.31Å; R542-F544 VanDerWaalsContact O-CD2 3.22Å; R542-F544 WeakPolarHBondContact O-CD2 3.28Å; R542-F544 PolarHBondContact O-N 3.38Å; R542-F544 VanDerWaalsContact O-N 3.14Å
543T33Very low38.3Very low142 Ų142155.8 Ų155.887%0.87179%0.788SS**  trans-63.4110.8166.14.30000109V545T543-V545 PolarHBondContact O-N 3.46Å
544F36.1Very low37.1Very low182 Ų182158.2 Ų158.280%0.79880%0.798SS**  trans-84.6106.6174.1-76.5-86.2000110.1R542R542-F544 HydrophobicContact CB-CE2 4.31Å; R542-F544 VanDerWaalsContact O-CD2 3.22Å; R542-F544 WeakPolarHBondContact O-CD2 3.28Å; R542-F544 PolarHBondContact O-N 3.38Å; R542-F544 VanDerWaalsContact O-N 3.14Å
545V32.1Very low35.8Very low124 Ų124155.1 Ų155.175%0.75280%0.798SS**  trans-77.4123.9159.3177.30000107.2T543 E547T543-V545 PolarHBondContact O-N 3.46Å; V545-E547 HydrophobicContact CG1-CG 4.26Å; V545-E547 PolarHBondContact O-N 3.03Å
546V30.2Very low34.8Very low136 Ų136155.5 Ų155.582%0.82480%0.801SS**  trans-86.786.6174.1-178.40000108.7
547E31.2Very low34Very low174 Ų174155.8 Ų155.881%0.81381%0.807SS**  trans-69.6127.9161.8-68.2-169.1128.600109.1V545 A549V545-E547 HydrophobicContact CG1-CG 4.26Å; V545-E547 PolarHBondContact O-N 3.03Å; E547-A549 PolarHBondContact O-N 3.4Å; E547-A549 VanDerWaalsContact O-N 3.15Å
548K28.3Very low33.3Very low206 Ų206155.4 Ų155.490%0.89680%0.803SS**  trans-81.396.3176.6-170.8175.1-179.5-179.50109.6
549A31.1Very low32.8Very low87 Ų87154.9 Ų154.972%0.71980%0.801SS**  trans-61.2163.5173.600000112.4E547E547-A549 PolarHBondContact O-N 3.4Å; E547-A549 VanDerWaalsContact O-N 3.15Å
550R31.1Very low32.2Very low243 Ų243153.4 Ų153.492%0.91779%0.794SS**  trans-91143.7176.6-58.3171.4-177.3156.2-0.9109.8
551D30.2Very low31.2Very low160 Ų160151.2 Ų151.286%0.85679%0.787SS**  trans-110.4159.7164.9-83.2-54.2000110.6
552P36.3Very low31Very low114 Ų114149.5 Ų149.574%0.7478%0.776SS**  trans-101.5167.2-15038.1-37.2000117
553E28.8Very low30.7Very low176 Ų176147 Ų14782%0.82277%0.773SS**  trans-48.5149.4167.7-63.2-80129.100114.4
554P33.3Very low30.3Very low120 Ų120146.3 Ų146.378%0.77977%0.769SS**  -127.1128.6128.435.1-27.1000112.9
555A28.8Very low30.5Very low88 Ų88143.9 Ų143.973%0.72777%0.772SS**  trans-68.7162.7158.400000109.8
556S30Very low30.7Very low92 Ų92142.5 Ų142.564%0.64377%0.774SS**  cis-160.3152.827.752.90000112.8
557D29.2Very low30.9Very low149 Ų149144.7 Ų144.780%0.79778%0.775SS**  trans57141.8154.9-44.6-29.4000118.2
558T30.1Very low31.4Very low110 Ų110143.7 Ų143.768%0.67578%0.775SS**  cis-159.4140.827.7-35.30000109.8
559E30.1Very low31.8Very low177 Ų177141.4 Ų141.483%0.82777%0.77SS**  trans52.6148.2153.9-72.5166.5-175.800120
560E30.3Very low32.3Very low147 Ų147143.1 Ų143.169%0.68777%0.767SS**  cis-158.8164.19-131.7-16314000112.3
561Q27.9Very low32.8Very low149 Ų149135.8 Ų135.870%0.69676%0.758SS**  trans63.2116.2152.5-63.3-177.432.400124.9
562K28.2Very low33.5Very low154 Ų154133.3 Ų133.367%0.6775%0.748SS**  trans72.3115.5131.2-88.5-176.2168.8-760124.9
563E28Very low33.6Very low156 Ų156134.8 Ų134.873%0.72975%0.749SS**  77.1161.4125.9-77.6159.7-158.400123.1
564T24.3Very low34.1Very low129 Ų129136.8 Ų136.879%0.79175%0.749SS**  trans-128-177.8-155.256.50000111.8
565P40.8Very low34.3Very low130 Ų130138.6 Ų138.684%0.84475%0.747SS**  cis-127.3-142.2-13.534.7-11.9000111.6
566A35.7Very low34.8Very low96 Ų96140.8 Ų140.879%0.79375%0.751SS**  trans-135.7158-176.300000114.7
567Q34.6Very low35.1Very low182 Ų182147.4 Ų147.485%0.8576%0.762SS**  trans-146.9132.3159.2-93.8169.6-6.800106.4
568D41.6Very low35.6Very low152 Ų152149.1 Ų149.181%0.81377%0.766SS**  86.6133.666.4-159.98.5000112.5
569M36.9Very low35.8Very low159 Ų159152 Ų15278%0.78377%0.771SS**  trans-130.1-4-146.6-149.3178.676.800115A571M569-A571 VanDerWaalsContact C-N 3.28Å; M569-A571 PolarHBondContact O-N 2.9Å
570D41.9Very low36Very low123 Ų123151.3 Ų151.366%0.65877%0.773SS**THydrogen-bonded Turntrans-80.9-2.6-167-142.929.6000114.5
571A42.4Very low35.9Very low89 Ų89153.9 Ų153.974%0.73679%0.785SS**THydrogen-bonded Turntrans-72.2-31178.100000113.7M569 L573M569-A571 VanDerWaalsContact C-N 3.28Å; M569-A571 PolarHBondContact O-N 2.9Å; A571-L573 VanDerWaalsContact C-N 3.3Å; A571-L573 PolarHBondContact O-N 2.79Å
572V45.1Very low36Very low108 Ų108149.6 Ų149.666%0.65578%0.781SS**G310 helixtrans-67.9-27.2-168.8-1770000113R574V572-R574 PolarHBondContact O-N 3.47Å
573L37.3Very low36.1Very low144 Ų144151.9 Ų151.975%0.75479%0.793SS**G310 helixtrans-82.83.2-166.3-86.7167000116.3A571A571-L573 VanDerWaalsContact C-N 3.3Å; A571-L573 PolarHBondContact O-N 2.79Å
574R40.4Very low36Very low218 Ų218149.8 Ų149.882%0.82380%0.796SS**G310 helixtrans-105.9-19.6178.3-61-169.8-168.4-176.16.9115V572 V576V572-R574 PolarHBondContact O-N 3.47Å; R574-V576 VanDerWaalsContact C-N 3.28Å; R574-V576 PolarHBondContact O-N 3.39Å
575Q36.3Very low36.1Very low159 Ų159151.7 Ų151.774%0.74380%0.796SS**THydrogen-bonded Turntrans-85.611-172.4-156.7164.3-300114.6
576V40.4Very low35.6Very low134 Ų134155.2 Ų155.281%0.81280%0.798SS**THydrogen-bonded Turntrans-103.221.2-178.7-164.10000111.9R574R574-V576 VanDerWaalsContact C-N 3.28Å; R574-V576 PolarHBondContact O-N 3.39Å
577R35.1Very low35.4Very low230 Ų230160.4 Ų160.487%0.86880%0.803SS**SBendtrans-127-10-169-145.7173.7-175.2167.92.8118
578E40.1Very low35.7Very low186 Ų186156.9 Ų156.987%0.86980%0.795SS**SBendtrans-131.4-3.8-176.6-65.5-165.7141.500116.2
579E34.2Very low35.1Very low169 Ų169158.5 Ų158.579%0.7980%0.795SS**SBendtrans-107.363.8-179.8-66.5-166.2174.300114.2
580D33.6Very low34.9Very low164 Ų164156 Ų15688%0.87779%0.785SS**  trans-155.140.1150.4-144.3-4.1000114
581E29.8Very low34.3Very low201 Ų201158.5 Ų158.594%0.93979%0.79SS**  trans-104.992.5161-84.9-137.9149.800111.5
582G29.5Very low33.8Very low58 Ų58164.1 Ų164.160%0.59880%0.798SS**  trans133.1113.3142.100000117.5
583H29.6Very low32.9Very low202 Ų202162.7 Ų162.794%0.93581%0.805SS**  -148.4133114.4-105.675.4000110.9
584S27.3Very low32.4Very low113 Ų113162.9 Ų162.979%0.7981%0.805SS**  trans-82.9171176.7-74.60000110.9
585Q26.1Very low31.7Very low169 Ų169160 Ų16079%0.7980%0.803SS**  cis-164.2149.140.8-57.2169.6-0.700113
586K28.8Very low31.3Very low203 Ų203162.6 Ų162.688%0.88381%0.812SS**  178.3145.7119.7-93.9152.9-172.4170.50112.7
587K31.8Very low30.6Very low206 Ų206162.7 Ų162.790%0.89680%0.804SS**  trans-119.6177.1170.6-73.7-176.9177.9174.70107.8
588P41Very low30.7Very low107 Ų107159.1 Ų159.170%0.69580%0.8SS**  cis-135.4169.32.133.4-12.9000116.4
589K29.1Very low30Very low186 Ų186160.1 Ų160.181%0.80980%0.796SS**  173.1135.8110-92.1179.1-179178.20116
590D32.2Very low29.9Very low108 Ų108158.7 Ų158.758%0.57879%0.793SS**  trans49.1117.2142.3-66.5-64.3000125.6
591K31.3Very low29.7Very low174 Ų174157.2 Ų157.276%0.75779%0.785SS**  60.5112.3129.1-58.8170-178.8114.70119.1
592K29.9Very low29.9Very low208 Ų208155.2 Ų155.290%0.90478%0.776SS**  80114.366.9-86.1-163.6171.7-172.70116
593G26.7Very low29.9Very low77 Ų77160.2 Ų160.279%0.79478%0.784SS**  trans85.7171.515900000115.5
594I28.1Very low30Very low149 Ų149156.6 Ų156.676%0.76477%0.767SS**  cis-136.91665.2-66.1-179.7000110.1
595M25.7Very low30.1Very low158 Ų158159 Ų15978%0.77876%0.764SS**  trans-53.4166.2168.5-48.9171.4-63.500113.1
596F27.6Very low30.2Very low212 Ų212159.8 Ų159.893%0.9377%0.767SS**  trans-122.3136.1155.2-78.3-80.4000111.6
597E25.1Very low30.3Very low136 Ų136159.1 Ų159.164%0.63677%0.767SS**  trans-108.2147.2-178.8-174.6-173.9140.900108.7R599E597-R599 IonicContact OE1-CZ 3.79Å; E597-R599 IonicContact OE1-NE 2.74Å; E597-R599 PolarHBondContact OE1-NE 3.28Å; E597-R599 IonicContact OE1-NH2 3.82Å; E597-R599 PolarHBondContact OE1-NH2 3.11Å
598I36.7Very low30.3Very low155 Ų155155.8 Ų155.880%0.79576%0.755SS**  trans-87.6127.8177.2-59.6170.3000109.4
599R26.7Very low29.7Very low207 Ų207157.5 Ų157.578%0.78176%0.764SS**  trans-137.4163.9159.8-64.2-167.1-175.8-159.72.5110.3E597E597-R599 IonicContact OE1-CZ 3.79Å; E597-R599 IonicContact OE1-NE 2.74Å; E597-R599 PolarHBondContact OE1-NE 3.28Å; E597-R599 IonicContact OE1-NH2 3.82Å; E597-R599 PolarHBondContact OE1-NH2 3.11Å
600L31Very low29.7Very low140 Ų140155.4 Ų155.473%0.73375%0.754SS**  trans-113.2-175-167.6-63.7163.2000110.9
601D29.9Very low29.5Very low133 Ų133157.9 Ų157.971%0.71176%0.762SS**  trans72.7146158.4-37.5-42.6000116.2
602E33.3Very low29.4Very low159 Ų159155.1 Ų155.174%0.74375%0.752SS**  cis-162.9152.3-18.7-120.2175.9173.300109
603E31.1Very low29.3Very low163 Ų163154.2 Ų154.276%0.76274%0.743SS**  trans57.3171.7157.4-56.3-164.6137.700119
604E30.9Very low29.3Very low126 Ų126159.5 Ų159.559%0.58974%0.744SS**  cis-155.8149.66.1-147.7-174.3-154.100111.9
605K28.2Very low29.2Very low163 Ų163159.6 Ų159.671%0.70975%0.746SS**  trans48.7162.3154.9-71.5159.1-162.6157.70120.3
606E29.9Very low29.5Very low186 Ų186159.2 Ų159.287%0.86974%0.743SS**  cis-136.5163.725-74179.2149.400115.2
607E29.3Very low29.6Very low188 Ų188158.7 Ų158.788%0.87974%0.743SS**  trans-42.2178.5163.1-60.9174.6174.800116.9
608E32.1Very low29.9Very low137 Ų137160.4 Ų160.464%0.6475%0.748SS**  cis177136-33.2-170.4-155.7-143.900103.1K610E608-K610 IonicContact OE1-NZ 2.79Å; E608-K610 PolarHBondContact OE1-NZ 3.07Å; E608-K610 IonicContact OE2-NZ 2.74Å; E608-K610 PolarHBondContact OE2-NZ 2.96Å
609T27.9Very low29.7Very low143 Ų143161.5 Ų161.588%0.87775%0.75SS**  trans-164.7144.7151.30.20000112.5
610K29.6Very low29.9Very low141 Ų141161 Ų16161%0.61376%0.757SS**  trans-93165.5169.7-63.4157.8-173.6105.20108.1E608E608-K610 IonicContact OE1-NZ 2.79Å; E608-K610 PolarHBondContact OE1-NZ 3.07Å; E608-K610 IonicContact OE2-NZ 2.74Å; E608-K610 PolarHBondContact OE2-NZ 2.96Å
611E29.3Very low30.1Very low160 Ų160159.4 Ų159.475%0.74875%0.753SS**  cis-153.2-164.95.8-132.4151.1-113.600106.5
612E29Very low30.3Very low116 Ų116157.3 Ų157.354%0.54274%0.742SS.*  cis-157.9164.614.1-140.5-159.5150.800111.6
613R27.1Very low30.5Very low189 Ų189155.4 Ų155.471%0.71374%0.743SS**  trans67.2106.9153.4-70.3173.9-171.116627.8122.8
614K26.3Very low30.9Very low188 Ų188155 Ų15582%0.81775%0.745SS**  trans83.2139130.6-68.4-174.1173.7-175.70120.7
615N27.3Very low31.5Very low151 Ų151155.2 Ų155.281%0.80775%0.75SS**  trans35.6112.7159.9-62.915000116.7
616E30.8Very low32.2Very low150 Ų150158.6 Ų158.670%0.70176%0.759SS**  -155.1143.460.9-77.4-178173.100112.7K618E616-K618 IonicContact OE1-NZ 3.56Å; E616-K618 IonicContact OE2-NZ 2.67Å; E616-K618 PolarHBondContact OE2-NZ 3.5Å
617Q29.8Very low32.8Very low202 Ų202156.2 Ų156.294%0.94476%0.757SS**  trans-88.6107.4161.2-74.5-178.2-12.600109.3
618K31.9Very low33.4Very low171 Ų171153.1 Ų153.174%0.74375%0.746SS**  trans-114.9103.5159.2-75.4-167.7175.8101.20108.6E616E616-K618 IonicContact OE1-NZ 3.56Å; E616-K618 IonicContact OE2-NZ 2.67Å; E616-K618 PolarHBondContact OE2-NZ 3.5Å
619Q31.8Very low34.2Very low179 Ų179149.2 Ų149.284%0.83673%0.734SS**  trans-74.2126.5173.7-160.4166.830.700108V621Q619-V621 PolarHBondContact O-N 2.89Å
620E31Very low34.7Very low197 Ų197150.7 Ų150.792%0.92173%0.728SS**  trans-72.7111.7177.1-170.2167.2-150.900108.9
621V34.8Very low35.2Very low106 Ų106151.7 Ų151.764%0.64274%0.735SS**  trans-101.5120.2-177.8-179.50000109.2Q619Q619-V621 PolarHBondContact O-N 2.89Å
622D34.5Very low36Very low89 Ų89148.6 Ų148.648%0.47672%0.721SS.*  trans-49.2120.5173.1176.6-5.8000111L624 N625D622-L624 PolarHBondContact O-N 3.49Å; D622-L624 WeakPolarHBondContact OD1-CB 3.49Å; D622-L624 PolarHBondContact OD1-N 3.35Å; D622-N625 PolarHBondContact O-N 2.84Å
623P37.1Very low37Very low119 Ų119144.5 Ų144.577%0.77371%0.71SS**THydrogen-bonded Turntrans-64.2-12.2-174.426.2-35.3000114.3N625P623-N625 VanDerWaalsContact C-N 3.33Å
624L41.2Very low38.1Very low155 Ų155139.9 Ų139.981%0.81270%0.696SS**THydrogen-bonded Turntrans-79.1-7.7177.9-76.1163.2000114.6D622D622-L624 PolarHBondContact O-N 3.49Å; D622-L624 WeakPolarHBondContact OD1-CB 3.49Å; D622-L624 PolarHBondContact OD1-N 3.35Å
625N42.8Very low38.9Very low130 Ų130138.3 Ų138.370%0.69569%0.691SS**  trans-108.746.8-177.4-95.1-58.4000114.7D622 P623D622-N625 PolarHBondContact O-N 2.84Å; P623-N625 VanDerWaalsContact C-N 3.33Å
626R42.1Very low40Very low234 Ų234135.8 Ų135.888%0.88368%0.678SS**  trans-96.897.7165.2-80.5-171.4172.6-168.5-1.1111.9
627T43.8Very low40.8Very low136 Ų136135.6 Ų135.683%0.83467%0.674SS**PPolyproline II helixtrans-70.6133.5157.342.30000110.1
628L41.9Very low41.6Very low122 Ų122133.2 Ų133.264%0.63967%0.667SS**PPolyproline II helixtrans-57146.9174.3-70.8165.7000111.8E632L628-E632 HydrophobicContact CD2-CB 4.26Å
629S49.4Very low42.1Very low56 Ų56129.5 Ų129.539%0.39265%0.651SS.*PPolyproline II helixtrans-73.3161.1173.172.80000111.9Q631 E632 G633S629-Q631 PolarHBondContact O-N 2.85Å; S629-E632 WeakPolarHBondContact CA-OE2 3.39Å; S629-E632 WeakPolarHBondContact CB-OE2 3.46Å; S629-E632 PolarHBondContact N-OE2 3.49Å; S629-E632 PolarHBondContact O-N 3.2Å; S629-E632 VanDerWaalsContact OG-CD 3.29Å; S629-E632 WeakPolarHBondContact OG-CG 3.42Å; S629-E632 PolarHBondContact OG-OE2 2.89Å; S629-G633 PolarHBondContact O-N 3.26Å
630F37Very low42.7Very low174 Ų174124.9 Ų124.976%0.76363%0.632SS**THydrogen-bonded Turntrans-62.3-30-178.1-166.2-93.4000113E634F630-E634 WeakPolarHBondContact O-CG 3.31Å
631Q41.1Very low43.5Very low161 Ų161121.6 Ų121.675%0.75261%0.612SS**THydrogen-bonded Turntrans-77.5-41.5179.2-69.8178.6-60.900112.5S629 G633 E634 E635S629-Q631 PolarHBondContact O-N 2.85Å; Q631-G633 PolarHBondContact O-N 2.83Å; Q631-E634 PolarHBondContact O-N 2.69Å; Q631-E635 PolarHBondContact O-N 2.96Å
632E45.8Very low44.2Very low96 Ų96120.5 Ų120.545%0.44961%0.608SS.*Hα-helixtrans-60.2-30.6173.7-67.5162.2126.500111.6L628 S629 E634L628-E632 HydrophobicContact CD2-CB 4.26Å; S629-E632 WeakPolarHBondContact CA-OE2 3.39Å; S629-E632 WeakPolarHBondContact CB-OE2 3.46Å; S629-E632 PolarHBondContact N-OE2 3.49Å; S629-E632 PolarHBondContact O-N 3.2Å; S629-E632 VanDerWaalsContact OG-CD 3.29Å; S629-E632 WeakPolarHBondContact OG-CG 3.42Å; S629-E632 PolarHBondContact OG-OE2 2.89Å; E632-E634 VanDerWaalsContact C-N 3.31Å; E632-E634 PolarHBondContact O-N 2.7Å
633G50Low44.6Very low30 Ų30123.8 Ų123.831%0.30962%0.618SS.*Hα-helixtrans-72.5-13.5173.400000115.6S629 Q631 K637S629-G633 PolarHBondContact O-N 3.26Å; Q631-G633 PolarHBondContact O-N 2.83Å; G633-K637 WeakPolarHBondContact O-CE 3.43Å
634E48.9Very low45.1Very low91 Ų91123.8 Ų123.843%0.42561%0.608SS.*Hα-helixtrans-94.3-38178.4-63.3-115.3101.500111.9F630 Q631 E632 L636 K637F630-E634 WeakPolarHBondContact O-CG 3.31Å; Q631-E634 PolarHBondContact O-N 2.69Å; E632-E634 VanDerWaalsContact C-N 3.31Å; E632-E634 PolarHBondContact O-N 2.7Å; E634-L636 PolarHBondContact O-N 3.3Å; E634-K637 WeakPolarHBondContact O-CB 3.47Å; E634-K637 PolarHBondContact O-N 2.81Å; E634-K637 IonicContact OE1-NZ 2.77Å; E634-K637 PolarHBondContact OE1-NZ 3.24Å
635E43.2Very low45Very low155 Ų155125.2 Ų125.272%0.72460%0.603SS**Hα-helixtrans-59.2-36.9175-64.7-164.8138.500111.9Q631 K637 L638 K639Q631-E635 PolarHBondContact O-N 2.96Å; E635-K637 PolarHBondContact O-N 3.03Å; E635-L638 PolarHBondContact O-N 2.61Å; E635-K639 PolarHBondContact O-N 3.09Å
636L50.5Low44.8Very low99 Ų99128.1 Ų128.152%0.51861%0.609SS.*Hα-helixtrans-63.1-19.5174.2-73.8170.4000114.1E634E634-L636 PolarHBondContact O-N 3.3Å
637K48.5Very low44.7Very low145 Ų145120.4 Ų120.463%0.6360%0.603SS**Hα-helixtrans-85.3-24.8175.7-60.1175.4-165.4160.60113.2G633 E634 E635G633-K637 WeakPolarHBondContact O-CE 3.43Å; E634-K637 WeakPolarHBondContact O-CB 3.47Å; E634-K637 PolarHBondContact O-N 2.81Å; E634-K637 IonicContact OE1-NZ 2.77Å; E634-K637 PolarHBondContact OE1-NZ 3.24Å; E635-K637 PolarHBondContact O-N 3.03Å
638L45.6Very low44.5Very low152 Ų152125.2 Ų125.280%0.79661%0.606SS**Hα-helixtrans-93.9-8.9-179.1-85.680.4000113.6E635 D640E635-L638 PolarHBondContact O-N 2.61Å; L638-D640 PolarHBondContact O-N 2.75Å
639K43.1Very low44.6Very low93 Ų93124.5 Ų124.540%0.40461%0.611SS.*  trans-72.2114.8179.6-157.8-172.7-177.4-151.50111.5E635 W641 E644E635-K639 PolarHBondContact O-N 3.09Å; K639-W641 PolarHBondContact O-N 3.36Å; K639-W641 PolarHBondContact O-NE1 3Å; K639-E644 IonicContact NZ-OE1 2.65Å; K639-E644 PolarHBondContact NZ-OE1 3.03Å; K639-E644 IonicContact NZ-OE2 2.76Å; K639-E644 PolarHBondContact NZ-OE2 3.2Å
640D45.2Very low44.3Very low83 Ų83131.5 Ų131.544%0.44464%0.637SS.*  trans-74.293175.5174.227.6000111.9L638 S642 K643L638-D640 PolarHBondContact O-N 2.75Å; D640-S642 PolarHBondContact O-N 3.24Å; D640-S642 WeakPolarHBondContact OD1-CB 3.45Å; D640-S642 PolarHBondContact OD1-N 3.06Å; D640-S642 PolarHBondContact OD1-OG 3.36Å; D640-K643 PolarHBondContact O-N 3.04Å
641W47.3Very low44.8Very low128 Ų128133.9 Ų133.949%0.48564%0.641SS.*THydrogen-bonded Turntrans-61.3-10.3177.2-63.190000114.3K639 K643 E644 R645K639-W641 PolarHBondContact O-N 3.36Å; K639-W641 PolarHBondContact O-NE1 3Å; W641-K643 PolarHBondContact O-N 3.36Å; W641-E644 PolarHBondContact O-N 3.03Å; W641-R645 WeakPolarHBondContact O-CG 3.39Å; W641-R645 PolarHBondContact O-N 2.8Å
642S48.3Very low44.7Very low82 Ų82132 Ų13257%0.57364%0.641SS**THydrogen-bonded Turntrans-63.1-25.3179.6-46.80000113D640D640-S642 PolarHBondContact O-N 3.24Å; D640-S642 WeakPolarHBondContact OD1-CB 3.45Å; D640-S642 PolarHBondContact OD1-N 3.06Å; D640-S642 PolarHBondContact OD1-OG 3.36Å
643K43.8Very low44.7Very low158 Ų158130.7 Ų130.769%0.68764%0.641SS**THydrogen-bonded Turntrans-82.9-31.1-178.9-66.3177.1-173.6172.20113.3D640 W641 R645D640-K643 PolarHBondContact O-N 3.04Å; W641-K643 PolarHBondContact O-N 3.36Å; K643-R645 VanDerWaalsContact C-N 3.34Å
644E46.5Very low44.7Very low119 Ų119138 Ų13856%0.55667%0.667SS**THydrogen-bonded Turntrans-80.3-14.3177-71.8173.7161.200112.6K639 W641 K646K639-E644 IonicContact NZ-OE1 2.65Å; K639-E644 PolarHBondContact NZ-OE1 3.03Å; K639-E644 IonicContact NZ-OE2 2.76Å; K639-E644 PolarHBondContact NZ-OE2 3.2Å; W641-E644 PolarHBondContact O-N 3.03Å; E644-K646 PolarHBondContact O-N 3.24Å
645R40.7Very low45.2Very low185 Ų185137.8 Ų137.870%0.69867%0.672SS**THydrogen-bonded Turntrans-85.410.3177.5-69.9-174.5-173.3-1564.2115.8W641 K643 G647W641-R645 WeakPolarHBondContact O-CG 3.39Å; W641-R645 PolarHBondContact O-N 2.8Å; K643-R645 VanDerWaalsContact C-N 3.34Å; R645-G647 PolarHBondContact O-N 2.6Å; R645-G647 VanDerWaalsContact O-N 3.16Å
646K38.5Very low45Very low192 Ų192137 Ų13784%0.83567%0.672SS**THydrogen-bonded Turntrans-74.23.3-177.3-80.7-165.4170.1-170.10116.1E644E644-K646 PolarHBondContact O-N 3.24Å
647G38.8Very low44.9Very low72 Ų72138.7 Ų138.774%0.74268%0.681SS**THydrogen-bonded Turntrans-96.9-1.5179.600000116.4R645R645-G647 PolarHBondContact O-N 2.6Å; R645-G647 VanDerWaalsContact O-N 3.16Å
648W39.8Very low44.7Very low236 Ų236135.2 Ų135.289%0.89467%0.669SS**  trans-90.5118.1-176.6-7626.8000111.4
649S43.8Very low45Very low107 Ų107130 Ų13075%0.74865%0.649SS**  trans-65.7144.1175.7-173.10000111.5R651S649-R651 PolarHBondContact O-N 3.24Å
650Q43.1Very low45.4Very low203 Ų203130.8 Ų130.895%0.94966%0.656SS**SBendtrans-80.252.8-179.2-64.6-167.69.800113.1
651R48Very low45.6Very low224 Ų224131 Ų13185%0.84567%0.669SS**  trans-134.7131.8166.8-73.1-169.9173.2-170.9-2.6110.1S649S649-R651 PolarHBondContact O-N 3.24Å
652T40Very low45.7Very low122 Ų122130.8 Ų130.875%0.74868%0.678SS**  trans-73122.4168.235.40000108.9Q654T652-Q654 PolarHBondContact O-N 3.37Å
653P45.8Very low45.5Very low69 Ų69133.5 Ų133.545%0.44868%0.683SS.*  trans-67127178.826.8-33.3000109.7D658 A659P653-D658 WeakPolarHBondContact CA-OD2 3.24Å; P653-D658 HydrophobicContact CB-CB 3.99Å; P653-D658 VanDerWaalsContact CB-OD2 3.25Å; P653-D658 WeakPolarHBondContact CB-OD2 3.5Å; P653-A659 HydrophobicContact CB-CB 4.47Å; P653-A659 HydrophobicContact CG-CB 4.27Å
654Q50Low45.2Very low182 Ų182130.9 Ų130.985%0.8569%0.691SS**  trans-90.1-6.3-175.2-69.8-162.5-13.100113.9T652T652-Q654 PolarHBondContact O-N 3.37Å
655T59Low44.8Very low87 Ų87131.5 Ų131.553%0.53470%0.702SS.*SBendtrans-135.4160.4177.573.70000112.4L657 D658 A659T655-L657 VanDerWaalsContact C-N 3.34Å; T655-L657 PolarHBondContact O-N 2.96Å; T655-D658 PolarHBondContact O-N 2.95Å; T655-D658 WeakPolarHBondContact OG1-CB 3.38Å; T655-D658 PolarHBondContact OG1-N 3.09Å; T655-A659 PolarHBondContact O-N 3.26Å
656L38.9Very low44.3Very low140 Ų140128.4 Ų128.473%0.73371%0.709SS**Hα-helixtrans-67.4-32.2-178.4-155.480.2000112.8L660L656-L660 WeakPolarHBondContact O-CG 3.34Å; L656-L660 PolarHBondContact O-N 3.46Å
657L47.3Very low44Very low134 Ų134124.4 Ų124.470%0.70271%0.706SS**Hα-helixtrans-68.4-40.3175.4-91.871.6000111.5T655 A659 L660 A661T655-L657 VanDerWaalsContact C-N 3.34Å; T655-L657 PolarHBondContact O-N 2.96Å; L657-A659 VanDerWaalsContact C-N 3.3Å; L657-A659 PolarHBondContact O-N 3.37Å; L657-L660 PolarHBondContact O-N 3.13Å; L657-L660 VanDerWaalsContact O-N 3.07Å; L657-A661 PolarHBondContact O-N 3.09Å
658D45.6Very low43.6Very low71 Ų71125.7 Ų125.738%0.3871%0.709SS.*Hα-helixtrans-63.7-36.2177.7-170.328.8000111.4P653 T655 N662P653-D658 WeakPolarHBondContact CA-OD2 3.24Å; P653-D658 HydrophobicContact CB-CB 3.99Å; P653-D658 VanDerWaalsContact CB-OD2 3.25Å; P653-D658 WeakPolarHBondContact CB-OD2 3.5Å; T655-D658 PolarHBondContact O-N 2.95Å; T655-D658 WeakPolarHBondContact OG1-CB 3.38Å; T655-D658 PolarHBondContact OG1-N 3.09Å; D658-N662 PolarHBondContact O-ND2 3.05Å; D658-N662 PolarHBondContact OD1-ND2 3.21Å
659A50.8Low43Very low44 Ų44124.9 Ų124.936%0.36471%0.707SS.*Hα-helixtrans-66.8-34170.700000113.7P653 T655 L657P653-A659 HydrophobicContact CB-CB 4.47Å; P653-A659 HydrophobicContact CG-CB 4.27Å; T655-A659 PolarHBondContact O-N 3.26Å; L657-A659 VanDerWaalsContact C-N 3.3Å; L657-A659 PolarHBondContact O-N 3.37Å
660L51.6Low42.3Very low109 Ų109125 Ų12557%0.57171%0.708SS**Hα-helixtrans-79.1-38-179.3-72.5166.9000112.9L656 L657 N662 M663L656-L660 WeakPolarHBondContact O-CG 3.34Å; L656-L660 PolarHBondContact O-N 3.46Å; L657-L660 PolarHBondContact O-N 3.13Å; L657-L660 VanDerWaalsContact O-N 3.07Å; L660-N662 PolarHBondContact O-N 3.44Å; L660-M663 PolarHBondContact O-N 3.29Å
661A50.7Low41.6Very low86 Ų86121.4 Ų121.471%0.71170%0.7SS**Hα-helixtrans-63-26.1177.700000113.1L657L657-A661 PolarHBondContact O-N 3.09Å
662N48.9Very low40.8Very low124 Ų124115.2 Ų115.266%0.66370%0.697SS**THydrogen-bonded Turntrans-92.77-179-73.1-72.8000114.2D658 L660D658-N662 PolarHBondContact O-ND2 3.05Å; D658-N662 PolarHBondContact OD1-ND2 3.21Å; L660-N662 PolarHBondContact O-N 3.44Å
663M43.9Very low40.3Very low140 Ų140114 Ų11469%0.6970%0.7SS**  trans-90.3108.3175.6-81.3-167.1147.200112.8L660 V665L660-M663 PolarHBondContact O-N 3.29Å; M663-V665 PolarHBondContact O-N 3.3Å
664A36.8Very low39.6Very low103 Ų103119.3 Ų119.385%0.85172%0.718SS**  trans-73.4111.4170.800000111.5S666A664-S666 PolarHBondContact O-N 2.83Å
665V39.3Very low39Very low131 Ų131116 Ų11679%0.79471%0.712SS**  trans-89.797.6179.1-178.80000110.6M663 S667M663-V665 PolarHBondContact O-N 3.3Å; V665-S667 PolarHBondContact O-N 2.96Å
666S30.1Very low37.6Very low121 Ų121117.5 Ų117.585%0.84673%0.726SS**  trans-87.974.4173.261.30000111.8A664A664-S666 PolarHBondContact O-N 2.83Å
667S31.7Very low37.5Very low108 Ų108120.7 Ų120.776%0.75574%0.738SS**  trans-98.598.1171.6-176.70000110.4V665V665-S667 PolarHBondContact O-N 2.96Å
668A30.5Very low37.1Very low98 Ų98118 Ų11881%0.8174%0.743SS**  trans-104.486.6-177.800000112.3
669Y27.6Very low36.5Very low220 Ų220126.2 Ų126.286%0.86377%0.769SS**  trans-147.8126.3148.1-133.8-91.2000109.3
670S29.3Very low36Very low109 Ų109135.8 Ų135.876%0.76280%0.795SS**  trans-138.7129-178.4-176.80000109.8
671T28.6Very low35.4Very low127 Ų127139 Ų13978%0.77981%0.808SS**  trans-132.1120.716747.40000106.4
672A31.5Very low34.7Very low95 Ų95146.1 Ų146.179%0.78582%0.816SS**  trans-80.7150.4-156.100000115.2
673A27.5Very low34.5Very low97 Ų97147.1 Ų147.180%0.80283%0.827SS**  trans-145.9138.6155.900000108.4
674E31.5Very low34.6Very low179 Ų179144.6 Ų144.684%0.83682%0.823SS**  trans-78.9161.8-173.9-78.6-65.5123.100113.1
675P37.9Very low35.2Very low112 Ų112142.6 Ų142.673%0.72781%0.812SS**  trans-88.7167.7-159.935.3-37.4000115.4
676S29.8Very low35.2Very low119 Ų119142.4 Ų142.483%0.83281%0.814SS**  trans-129.3143.915851.10000109.8
677E36Very low36.2Very low207 Ų207139.6 Ų139.697%0.96779%0.793SS**  trans-82136.3-165.4-57.6175.4121.800112.1
678G40.2Very low37.1Very low79 Ų79140.3 Ų140.381%0.81480%0.798SS**  trans177.722.5-175.200000119.9
679R33Very low38.3Very low243 Ų243138 Ų13892%0.91778%0.775SS**  trans-146.8131.1170.4-168.4161.5-72.5-111-1.3112.4
680R39.8Very low39Very low244 Ų244134.2 Ų134.292%0.92177%0.769SS**PPolyproline II helixtrans-72.5145.9-179.2-65-175.7178.2-161.4-0.7111.4
681Q38.1Very low39.7Very low178 Ų178135.7 Ų135.783%0.83277%0.768SS**PPolyproline II helixtrans-94.3139.6-179.2-170.4174.310.900110.1
682W37.1Very low40.4Very low235 Ų235132.5 Ų132.589%0.8975%0.746SS**PPolyproline II helixtrans-77.8130.5169.4-67.488.8000109.2
683T43.5Very low41.3Very low144 Ų144130.4 Ų130.488%0.88373%0.729SS**  trans-102.61.4-172.346.80000114.3
684S45.9Very low42.3Very low88 Ų88131.4 Ų131.462%0.61572%0.72SS**SBendtrans-134160.9171.452.70000110.4
685G49.7Very low43.1Very low61 Ų61126.7 Ų126.763%0.62971%0.711SS**PPolyproline II helixtrans-69.5163-177.200000113.8
686P40.7Very low43.3Very low126 Ų126127.8 Ų127.882%0.81871%0.707SS**PPolyproline II helixtrans-64.3142.7-177.627.4-34.9000112.1
687P49.5Very low43.9Very low63 Ų63125 Ų12541%0.40969%0.692SS.*PPolyproline II helixtrans-66.9145.8-179.526.9-34.5000112.4S689 D692 A693P687-S689 VanDerWaalsContact C-N 3.34Å; P687-S689 PolarHBondContact O-N 3.04Å; P687-D692 HydrophobicContact CB-CB 3.84Å; P687-A693 HydrophobicContact CG-CB 3.9Å
688S51.3Low43.8Very low123 Ų123123.8 Ų123.886%0.8669%0.686SS**SBendtrans-77-12.7-175.139.60000115.1
689S56.8Low44.2Very low48 Ų48128.2 Ų128.234%0.33669%0.69SS.*SBendtrans-141.1157.9176.680.70000112.6P687 L691 D692 A693P687-S689 VanDerWaalsContact C-N 3.34Å; P687-S689 PolarHBondContact O-N 3.04Å; S689-L691 PolarHBondContact O-N 3.28Å; S689-L691 PolarHBondContact OG-N 3.18Å; S689-D692 WeakPolarHBondContact CB-OD2 3.38Å; S689-D692 PolarHBondContact N-OD2 3.32Å; S689-D692 PolarHBondContact O-N 3.3Å; S689-D692 PolarHBondContact OG-N 2.83Å; S689-D692 PolarHBondContact OG-OD2 3.36Å; S689-A693 PolarHBondContact O-N 3.21Å
690L40.4Very low44Very low141 Ų141122.9 Ų122.974%0.73869%0.685SS**THydrogen-bonded Turntrans-71.2-22.3176.4-146157.4000111.5L694L690-L694 HydrophobicContact CD2-CD1 4.22Å; L690-L694 PolarHBondContact O-N 3.26Å
691L44.3Very low44.5Very low140 Ų140117.2 Ų117.273%0.73368%0.679SS**THydrogen-bonded Turntrans-74.4-40.8172-79.6157.8000111.8S689 A693 L694 A695S689-L691 PolarHBondContact O-N 3.28Å; S689-L691 PolarHBondContact OG-N 3.18Å; L691-A693 VanDerWaalsContact C-N 3.29Å; L691-A693 PolarHBondContact O-N 3.38Å; L691-L694 PolarHBondContact O-N 3.23Å; L691-L694 VanDerWaalsContact O-N 3.13Å; L691-A695 WeakPolarHBondContact O-CB 3.16Å; L691-A695 PolarHBondContact O-N 3.33Å
692D45.1Very low43.9Very low61 Ų61112.7 Ų112.733%0.32667%0.673SS.*Hα-helixtrans-59.4-41172.2-67.3-55.2000111.5P687 S689 L694 A695 Q696P687-D692 HydrophobicContact CB-CB 3.84Å; S689-D692 WeakPolarHBondContact CB-OD2 3.38Å; S689-D692 PolarHBondContact N-OD2 3.32Å; S689-D692 PolarHBondContact O-N 3.3Å; S689-D692 PolarHBondContact OG-N 2.83Å; S689-D692 PolarHBondContact OG-OD2 3.36Å; D692-L694 PolarHBondContact O-N 2.93Å; D692-A695 PolarHBondContact O-N 3.45Å; D692-Q696 WeakPolarHBondContact O-CB 3.32Å; D692-Q696 WeakPolarHBondContact O-CG 3.3Å; D692-Q696 PolarHBondContact O-N 2.99Å
693A50.3Low43.5Very low50 Ų50107.2 Ų107.241%0.41367%0.665SS.*Hα-helixtrans-64.8-21.8178.200000113.7P687 S689 L691P687-A693 HydrophobicContact CG-CB 3.9Å; S689-A693 PolarHBondContact O-N 3.21Å; L691-A693 VanDerWaalsContact C-N 3.29Å; L691-A693 PolarHBondContact O-N 3.38Å
694L47.8Very low42.8Very low118 Ų118105.9 Ų105.962%0.61866%0.657SS**Hα-helixtrans-92.8-35.1172.9-70.4167.6000111.8L690 L691 D692 Q696 A697L690-L694 HydrophobicContact CD2-CD1 4.22Å; L690-L694 PolarHBondContact O-N 3.26Å; L691-L694 PolarHBondContact O-N 3.23Å; L691-L694 VanDerWaalsContact O-N 3.13Å; D692-L694 PolarHBondContact O-N 2.93Å; L694-Q696 VanDerWaalsContact C-N 3.33Å; L694-Q696 PolarHBondContact O-N 3.29Å; L694-A697 WeakPolarHBondContact O-CB 3.19Å; L694-A697 PolarHBondContact O-N 2.82Å
695A47.3Very low42Very low80 Ų80110.4 Ų110.466%0.66167%0.668SS**Hα-helixtrans-69.3-27.7177.600000113.3L691 D692 A697L691-A695 WeakPolarHBondContact O-CB 3.16Å; L691-A695 PolarHBondContact O-N 3.33Å; D692-A695 PolarHBondContact O-N 3.45Å; A695-A697 VanDerWaalsContact C-N 3.29Å
696Q43.4Very low41.1Very low135 Ų135110.4 Ų110.463%0.63167%0.668SS**THydrogen-bonded Turntrans-84.92.6175.5-66.2176.727.200113.5D692 L694 E698D692-Q696 WeakPolarHBondContact O-CB 3.32Å; D692-Q696 WeakPolarHBondContact O-CG 3.3Å; D692-Q696 PolarHBondContact O-N 2.99Å; L694-Q696 VanDerWaalsContact C-N 3.33Å; L694-Q696 PolarHBondContact O-N 3.29Å; Q696-E698 PolarHBondContact O-N 2.82Å
697A42.8Very low40.5Very low62 Ų62112.8 Ų112.851%0.51267%0.668SS.*  trans-94.268.717900000111.6L694 A695 L699L694-A697 WeakPolarHBondContact O-CB 3.19Å; L694-A697 PolarHBondContact O-N 2.82Å; A695-A697 VanDerWaalsContact C-N 3.29Å; A697-L699 PolarHBondContact O-N 3.33Å; A697-L699 VanDerWaalsContact O-N 3.12Å
698E32.1Very low39.6Very low181 Ų181117.7 Ų117.785%0.84669%0.686SS**  trans-63.4111.8172.8-71-171.9164.200111.1Q696Q696-E698 PolarHBondContact O-N 2.82Å
699L49.2Very low38.5Very low171 Ų171118.9 Ų118.990%0.89568%0.678SS**  trans-96.4123.7166.7-72.7169.8000108.9A697A697-L699 PolarHBondContact O-N 3.33Å; A697-L699 VanDerWaalsContact O-N 3.12Å
700T29.1Very low37.1Very low132 Ų132122.3 Ų122.381%0.8170%0.697SS**  trans-133.8152.5171.1430000112.2
701P50Low36.6Very low124 Ų124118.9 Ų118.981%0.80570%0.696SS**  trans-127.6172.8-159.441-24.5000115.9
702A25.5Very low35.8Very low84 Ų84122.1 Ų122.169%0.69470%0.704SS**  trans-161.8133.4154.900000108.1
703T28.8Very low35Very low120 Ų120126.8 Ų126.874%0.73672%0.717SS**  cis77.7132.939.171.20000113.4
704T29.5Very low33.9Very low115 Ų115130.9 Ų130.971%0.70673%0.728SS**  cis-164.7-174.55.87.60000112
705E28.7Very low33Very low183 Ų183132.3 Ų132.386%0.85573%0.731SS**  trans84.9141166.4-57.6159.2-135.400116.8
706G30.3Very low32.2Very low61 Ų61138 Ų13863%0.62974%0.744SS**  cis135.9145.6-12.300000113.8
707E29.2Very low31.6Very low176 Ų176141 Ų14182%0.82276%0.758SS**  cis-145.2-157.3-19.4-86.480.9-144.700106.3
708E28.8Very low30.9Very low167 Ų167146.1 Ų146.178%0.7878%0.777SS**  cis-165-179.63.8-147.4-171.2155.800111.6
709E29.6Very low31Very low148 Ų148147 Ų14769%0.69278%0.781SS**  trans65.3120.8150.7-75.4-129.5110.500127.2
710T27.2Very low30.3Very low119 Ų119147.9 Ų147.973%0.7378%0.78SS**  trans79.7113.1132.864.50000125.9
711G29.5Very low30.4Very low69 Ų69151.1 Ų151.171%0.71178%0.783SS**  106.1104.88900000123.5
712K28.3Very low29.5Very low208 Ų208153.8 Ų153.890%0.90479%0.785SS**  trans71.1145.6154.3-59.2169.5-176.4167.40117.5
713R26.8Very low29.6Very low159 Ų159154.3 Ų154.360%0.678%0.783SS**  cis-146-144.8-7.1-141.6177.5110.1-136.18.8107.8E715R713-E715 IonicContact CZ-OE1 3.69Å; R713-E715 IonicContact NE-OE1 3.95Å; R713-E715 VanDerWaalsContact NH2-CD 3.31Å; R713-E715 IonicContact NH2-OE1 2.67Å; R713-E715 PolarHBondContact NH2-OE1 3.42Å; R713-E715 IonicContact NH2-OE2 3.78Å
714E28.5Very low29.6Very low137 Ų137155.8 Ų155.864%0.6479%0.786SS**  cis-129.2-111.411.6-164.787.7171.100110.7
715E29.5Very low29.7Very low148 Ų148157.4 Ų157.469%0.69279%0.789SS**  trans-151.2143.1-167.4-76.8162.9-166.200112.9R713R713-E715 IonicContact CZ-OE1 3.69Å; R713-E715 IonicContact NE-OE1 3.95Å; R713-E715 VanDerWaalsContact NH2-CD 3.31Å; R713-E715 IonicContact NH2-OE1 2.67Å; R713-E715 PolarHBondContact NH2-OE1 3.42Å; R713-E715 IonicContact NH2-OE2 3.78Å
716E29.1Very low29.9Very low200 Ų200157.4 Ų157.494%0.93579%0.789SS**  170.2124.3129.9-96-178.4179.500110.2
717E31Very low30.1Very low198 Ų198163.1 Ų163.193%0.92580%0.802SS**  trans-122122.6177-69.4-175.7140.600110.2
718D28.9Very low30.1Very low169 Ų169162 Ų16290%0.90480%0.802SS**  trans-108.6115.9171.6-106.2-32.5000109.7E720D718-E720 PolarHBondContact O-N 3.14Å
719E34.6Very low30.7Very low198 Ų198163.7 Ų163.793%0.92581%0.809SS**  trans-81.197.1175.8-70.2-169.8146.900111.9
720E32.9Very low31.1Very low191 Ų191165.2 Ų165.289%0.89382%0.816SS**PPolyproline II helixtrans-99.4125.4161.8-76.4-142.9129.900112.7D718D718-E720 PolarHBondContact O-N 3.14Å
721K32.3Very low31.6Very low199 Ų199166.3 Ų166.387%0.86581%0.813SS**PPolyproline II helixtrans-69131.4-175.5-68.5170.9177.6172.40112.3S723K721-S723 PolarHBondContact O-N 3.44Å
722H30Very low32Very low181 Ų181171.5 Ų171.584%0.83882%0.824SS**PPolyproline II helixtrans-65.1117.8147.5-94.5-104.2000109.3
723S28.2Very low32.3Very low94 Ų94166.1 Ų166.166%0.65780%0.801SS**  trans-95.298.5166.860.80000109.2K721 I725K721-S723 PolarHBondContact O-N 3.44Å; S723-I725 PolarHBondContact O-N 3.05Å
724D29.4Very low33.2Very low151 Ų151164.7 Ų164.781%0.80782%0.816SS**  trans-63.9124.8163-71.1-45.2000108.5
725I30.8Very low33.4Very low150 Ų150167 Ų16777%0.76982%0.819SS**  trans-100.5111.8173.9-65.7176.4000106.3S723S723-I725 PolarHBondContact O-N 3.05Å
726E32.8Very low33.9Very low182 Ų182164.1 Ų164.185%0.8582%0.815SS**  trans-59.7141.8174.5-63.3177.9128.400109.9
727M34.7Very low34.5Very low181 Ų181158.4 Ų158.489%0.89279%0.791SS**  trans-88.4113.3175.8-75.3177.350.100109.4E729M727-E729 PolarHBondContact O-N 3.48Å
728D29.6Very low35.1Very low154 Ų154154.1 Ų154.182%0.82477%0.774SS**  trans-58.4118.9173.4-69.4-56.7000111.4E730D728-E730 PolarHBondContact O-N 3.06Å
729E41.4Very low36Very low202 Ų202153.3 Ų153.394%0.94477%0.77SS**  trans-77.156.3169-74.5-158.9122.200111.9M727 H731M727-E729 PolarHBondContact O-N 3.48Å; E729-H731 PolarHBondContact O-N 2.91Å; E729-H731 VanDerWaalsContact O-N 3.16Å
730E37.9Very low36.6Very low179 Ų179146.2 Ų146.284%0.83674%0.739SS**  trans-81.494.2167.3-75.6-148.9142.900111.9D728D728-E730 PolarHBondContact O-N 3.06Å
731H38.2Very low37.2Very low142 Ų142140.1 Ų140.166%0.65771%0.714SS**  trans68.262134.5-149.162.6000117.6E729 E733E729-H731 PolarHBondContact O-N 2.91Å; E729-H731 VanDerWaalsContact O-N 3.16Å; H731-E733 IonicContact CD2-OE1 3.86Å; H731-E733 IonicContact CE1-OE1 2.71Å; H731-E733 WeakPolarHBondContact NE2-CG 3.49Å; H731-E733 IonicContact NE2-OE1 3.81Å; H731-E733 PolarHBondContact NE2-OE1 2.82Å; H731-E733 PolarHBondContact O-N 3.05Å
732L37.4Very low37.9Very low179 Ų179134.4 Ų134.494%0.93769%0.693SS**  trans-69.674.7163.2-75.7176000112.1S734L732-S734 PolarHBondContact O-N 2.61Å
733E33.5Very low38.5Very low94 Ų94127.6 Ų127.644%0.43966%0.661SS.*  trans-67.4122.9164.9-94.1-171.4-129.900111.3H731 R735H731-E733 IonicContact CD2-OE1 3.86Å; H731-E733 IonicContact CE1-OE1 2.71Å; H731-E733 WeakPolarHBondContact NE2-CG 3.49Å; H731-E733 IonicContact NE2-OE1 3.81Å; H731-E733 PolarHBondContact NE2-OE1 2.82Å; H731-E733 PolarHBondContact O-N 3.05Å; E733-R735 HydrophobicContact CB-CG 4.17Å; E733-R735 VanDerWaalsContact CD-NH2 3.34Å; E733-R735 PolarHBondContact O-N 3.05Å; E733-R735 IonicContact OE1-NH2 3.73Å; E733-R735 PolarHBondContact OE1-NH2 3.22Å; E733-R735 IonicContact OE2-CZ 2.78Å; E733-R735 IonicContact OE2-NE 3.86Å; E733-R735 PolarHBondContact OE2-NE 3.33Å; E733-R735 IonicContact OE2-NH2 3.7Å; E733-R735 PolarHBondContact OE2-NH2 2.76Å
734S45.8Very low39.5Very low130 Ų130128.1 Ų128.191%0.90965%0.653SS**  trans-65.285.4171.1-57.90000111.8L732L732-S734 PolarHBondContact O-N 2.61Å
735R34.2Very low40.1Very low186 Ų186126.5 Ų126.570%0.70264%0.641SS**  trans-106.6100.9179.5-70.3-169.9178.9-172.63.9113.4E733E733-R735 HydrophobicContact CB-CG 4.17Å; E733-R735 VanDerWaalsContact CD-NH2 3.34Å; E733-R735 PolarHBondContact O-N 3.05Å; E733-R735 IonicContact OE1-NH2 3.73Å; E733-R735 PolarHBondContact OE1-NH2 3.22Å; E733-R735 IonicContact OE2-CZ 2.78Å; E733-R735 IonicContact OE2-NE 3.86Å; E733-R735 PolarHBondContact OE2-NE 3.33Å; E733-R735 IonicContact OE2-NH2 3.7Å; E733-R735 PolarHBondContact OE2-NH2 2.76Å
736S38.7Very low41Very low87 Ų87120.9 Ų120.961%0.60862%0.615SS**  trans33.389.9143.862.50000117.5D738S736-D738 WeakPolarHBondContact CA-OD2 3.37Å; S736-D738 WeakPolarHBondContact CB-OD2 3.49Å
737D43.1Very low41.8Very low80 Ų80115.9 Ų115.943%0.42859%0.592SS.*  trans-92.726.6159.5-126.911.1000109.7R257 D739 D740R257-D737 IonicContact NH2-OD1 2.71Å; D737-D739 PolarHBondContact O-N 3.42Å; D737-D739 VanDerWaalsContact O-N 3.13Å; D737-D740 PolarHBondContact O-N 3.24Å; D737-D740 VanDerWaalsContact O-N 3.14Å
738D42.8Very low42.3Very low107 Ų107111.5 Ų111.557%0.57257%0.572SS**THydrogen-bonded Turntrans-70.6-3.6-168.3-58.1-56.5000114.9S736 T741S736-D738 WeakPolarHBondContact CA-OD2 3.37Å; S736-D738 WeakPolarHBondContact CB-OD2 3.49Å; D738-T741 PolarHBondContact O-OG1 2.65Å
739D47.1Very low43.2Very low152 Ų152111 Ų11181%0.81356%0.564SS**THydrogen-bonded Turntrans-75.6-23.4169.3-81.5-38.5000112.4D737D737-D739 PolarHBondContact O-N 3.42Å; D737-D739 VanDerWaalsContact O-N 3.13Å
740D47.8Very low43.4Very low50 Ų50106.8 Ų106.827%0.26755%0.548SS..SBendtrans-92.2-16.4-177.9-92.9-35.8000113.1S251 D737 N742 F743S251-D740 WeakPolarHBondContact CB-OD2 3.39Å; S251-D740 PolarHBondContact OG-OD2 3.2Å; S251-D740 VanDerWaalsContact OG-OD2 3.08Å; D737-D740 PolarHBondContact O-N 3.24Å; D737-D740 VanDerWaalsContact O-N 3.14Å; D740-N742 PolarHBondContact O-N 3.37Å; D740-F743 PolarHBondContact O-N 3.31Å
741T45Very low44.3Very low62 Ų62104.6 Ų104.638%0.3853%0.532SS..THydrogen-bonded Turntrans-62.4-29.7176.553.80000113D738 F743 E744 E745D738-T741 PolarHBondContact O-OG1 2.65Å; T741-F743 PolarHBondContact O-N 3.45Å; T741-E744 WeakPolarHBondContact O-CA 3.3Å; T741-E744 PolarHBondContact O-N 3.19Å; T741-E745 PolarHBondContact O-N 3.07Å
742N46.7Very low45.2Very low80 Ų80103 Ų10343%0.42853%0.528SS..Hα-helixtrans-53.8-18.7175.3-179.6-85.8000113.3K125 D740 S746K125-N742 WeakPolarHBondContact CE-OD1 3.49Å; K125-N742 PolarHBondContact NZ-OD1 3.23Å; D740-N742 PolarHBondContact O-N 3.37Å; N742-S746 VanDerWaalsContact O-CB 3.27Å; N742-S746 WeakPolarHBondContact O-CB 3.38Å; N742-S746 PolarHBondContact O-N 2.67Å; N742-S746 VanDerWaalsContact O-N 3.09Å; N742-S746 PolarHBondContact O-OG 3.42Å
743F43.8Very low46.1Very low38 Ų3897.3 Ų97.317%0.16751%0.507CS..Hα-helixtrans-71.3-42.1168.7-159.8-72.4000112.5K125 L127 D740 T741 S746 E747K125-F743 HydrophobicContact CB-CD2 4.08Å; K125-F743 HydrophobicContact CB-CE2 4.03Å; K125-F743 HydrophobicContact CD-CB 4.48Å; K125-F743 HydrophobicContact CD-CD2 3.81Å; K125-F743 HydrophobicContact CG-CD2 4.5Å; K125-F743 WeakPolarHBondContact O-CE2 3.48Å; L127-F743 HydrophobicContact CD1-CZ 4.1Å; L127-F743 HydrophobicContact CD2-CE2 4.29Å; L127-F743 HydrophobicContact CD2-CZ 4.11Å; L127-F743 HydrophobicContact CG-CZ 4.11Å; D740-F743 PolarHBondContact O-N 3.31Å; T741-F743 PolarHBondContact O-N 3.45Å; F743-S746 PolarHBondContact O-N 3.44Å; F743-S746 PolarHBondContact O-OG 3.34Å; F743-E747 PolarHBondContact O-N 3.2Å
744E48Very low47.1Very low105 Ų10596.9 Ų96.949%0.49151%0.51SS..Hα-helixtrans-67.7-43.9176.1-64.9-169.3173.400110.5R247 T741 S746 E747 D748R247-E744 IonicContact CZ-OE1 3.14Å; R247-E744 IonicContact CZ-OE2 3.17Å; R247-E744 IonicContact NE-OE1 3.89Å; R247-E744 IonicContact NH2-OE1 2.83Å; R247-E744 PolarHBondContact NH2-OE1 3.27Å; R247-E744 IonicContact NH2-OE2 2.84Å; R247-E744 PolarHBondContact NH2-OE2 3.27Å; T741-E744 WeakPolarHBondContact O-CA 3.3Å; T741-E744 PolarHBondContact O-N 3.19Å; E744-S746 VanDerWaalsContact C-N 3.33Å; E744-S746 PolarHBondContact O-N 3.15Å; E744-E747 PolarHBondContact O-N 2.79Å; E744-D748 PolarHBondContact O-N 2.87Å
745E43.2Very low47.7Very low117 Ų11792.5 Ų92.555%0.54748%0.482SS..Hα-helixtrans-57.4-44.3173.7-65.1-178.9143.700111.8T741 E747 D748 E749T741-E745 PolarHBondContact O-N 3.07Å; E745-E747 PolarHBondContact O-N 3.35Å; E745-D748 PolarHBondContact O-N 3.44Å; E745-E749 PolarHBondContact O-N 3.28Å
746S48.8Very low48.8Very low32 Ų3287.2 Ų87.222%0.22447%0.468CS..Hα-helixtrans-65.1-21.8177.675.40000114.2N742 F743 E744 L750N742-S746 VanDerWaalsContact O-CB 3.27Å; N742-S746 WeakPolarHBondContact O-CB 3.38Å; N742-S746 PolarHBondContact O-N 2.67Å; N742-S746 VanDerWaalsContact O-N 3.09Å; N742-S746 PolarHBondContact O-OG 3.42Å; F743-S746 PolarHBondContact O-N 3.44Å; F743-S746 PolarHBondContact O-OG 3.34Å; E744-S746 VanDerWaalsContact C-N 3.33Å; E744-S746 PolarHBondContact O-N 3.15Å; S746-L750 VanDerWaalsContact O-CB 3.25Å; S746-L750 WeakPolarHBondContact O-CB 3.33Å; S746-L750 WeakPolarHBondContact O-CD1 3.3Å; S746-L750 WeakPolarHBondContact O-CG 3.48Å; S746-L750 PolarHBondContact O-N 3.41Å; S746-L750 VanDerWaalsContact O-N 3.08Å
747E49.7Very low49.4Very low77 Ų7786.5 Ų86.536%0.3646%0.463SS..Hα-helixtrans-77.8-38.3175-161.7-176.214900111.2F743 E744 E745 L750 R751F743-E747 PolarHBondContact O-N 3.2Å; E744-E747 PolarHBondContact O-N 2.79Å; E745-E747 PolarHBondContact O-N 3.35Å; E747-L750 PolarHBondContact O-N 3.37Å; E747-R751 WeakPolarHBondContact O-CD 3.4Å; E747-R751 VanDerWaalsContact O-CG 3.25Å; E747-R751 WeakPolarHBondContact O-CG 3.48Å; E747-R751 PolarHBondContact O-N 3.27Å; E747-R751 IonicContact OE1-CZ 2.89Å; E747-R751 IonicContact OE1-NE 2.7Å; E747-R751 IonicContact OE1-NH2 3.18Å; E747-R751 PolarHBondContact OE1-NH2 3.16Å
748D45Very low49.5Very low89 Ų8988.2 Ų88.248%0.47647%0.47SS..Hα-helixtrans-74.6-38.4174.8-76.5-34.9000112.2E744 E745 L750 R751 D752E744-D748 PolarHBondContact O-N 2.87Å; E745-D748 PolarHBondContact O-N 3.44Å; D748-L750 VanDerWaalsContact C-N 3.3Å; D748-L750 PolarHBondContact O-N 3.15Å; D748-R751 WeakPolarHBondContact O-CB 3.06Å; D748-R751 PolarHBondContact O-N 3.28Å; D748-R751 VanDerWaalsContact O-N 3.09Å; D748-R751 VanDerWaalsContact OD1-CD 3.27Å; D748-R751 WeakPolarHBondContact OD1-CD 3.47Å; D748-R751 IonicContact OD1-CZ 2.81Å; D748-R751 IonicContact OD1-NE 3.73Å; D748-R751 IonicContact OD1-NH1 3.42Å; D748-R751 PolarHBondContact OD1-NH1 3.27Å; D748-D752 PolarHBondContact O-N 2.91Å
749E50.4Low50Low143 Ų14390.8 Ų90.867%0.66847%0.471SS*.Hα-helixtrans-59.1-39.3167.6-74.2-169.1156.600112.1E745 R751 D752 A753E745-E749 PolarHBondContact O-N 3.28Å; E749-R751 VanDerWaalsContact C-N 3.33Å; E749-R751 PolarHBondContact O-N 3.43Å; E749-D752 PolarHBondContact O-N 3.42Å; E749-A753 WeakPolarHBondContact O-CB 3.32Å; E749-A753 PolarHBondContact O-N 3.22Å
750L44.6Very low49.7Very low113 Ų11389.4 Ų89.459%0.59246%0.464SS*.Hα-helixtrans-67.3-31.7174.4-94.7163.1000112.8S746 E747 D748 V754S746-L750 VanDerWaalsContact O-CB 3.25Å; S746-L750 WeakPolarHBondContact O-CB 3.33Å; S746-L750 WeakPolarHBondContact O-CD1 3.3Å; S746-L750 WeakPolarHBondContact O-CG 3.48Å; S746-L750 PolarHBondContact O-N 3.41Å; S746-L750 VanDerWaalsContact O-N 3.08Å; E747-L750 PolarHBondContact O-N 3.37Å; D748-L750 VanDerWaalsContact C-N 3.3Å; D748-L750 PolarHBondContact O-N 3.15Å; L750-V754 VanDerWaalsContact O-CB 3.25Å; L750-V754 WeakPolarHBondContact O-CB 3.22Å; L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.45Å
751R56.7Low49.4Very low133 Ų13393.1 Ų93.150%0.50248%0.484SS..Hα-helixtrans-70.2-45.4175.1-72.1160.8-175.3179.51.6111E747 D748 E749 V754 A755E747-R751 WeakPolarHBondContact O-CD 3.4Å; E747-R751 VanDerWaalsContact O-CG 3.25Å; E747-R751 WeakPolarHBondContact O-CG 3.48Å; E747-R751 PolarHBondContact O-N 3.27Å; E747-R751 IonicContact OE1-CZ 2.89Å; E747-R751 IonicContact OE1-NE 2.7Å; E747-R751 IonicContact OE1-NH2 3.18Å; E747-R751 PolarHBondContact OE1-NH2 3.16Å; D748-R751 WeakPolarHBondContact O-CB 3.06Å; D748-R751 PolarHBondContact O-N 3.28Å; D748-R751 VanDerWaalsContact O-N 3.09Å; D748-R751 VanDerWaalsContact OD1-CD 3.27Å; D748-R751 WeakPolarHBondContact OD1-CD 3.47Å; D748-R751 IonicContact OD1-CZ 2.81Å; D748-R751 IonicContact OD1-NE 3.73Å; D748-R751 IonicContact OD1-NH1 3.42Å; D748-R751 PolarHBondContact OD1-NH1 3.27Å; E749-R751 VanDerWaalsContact C-N 3.33Å; E749-R751 PolarHBondContact O-N 3.43Å; R751-V754 PolarHBondContact O-N 2.6Å; R751-A755 WeakPolarHBondContact O-CB 3.41Å; R751-A755 PolarHBondContact O-N 3.07Å
752D58Low49.2Very low109 Ų109100 Ų10058%0.58350%0.504SS*.Hα-helixtrans-70.1-40.2177.8-83-6.9000111.9D748 E749 V754 A755 D756D748-D752 PolarHBondContact O-N 2.91Å; E749-D752 PolarHBondContact O-N 3.42Å; D752-V754 VanDerWaalsContact C-N 3.31Å; D752-V754 PolarHBondContact O-N 3.33Å; D752-A755 CarbonylContact O-C 3.59Å; D752-A755 WeakPolarHBondContact O-CB 3.48Å; D752-A755 PolarHBondContact O-N 3.49Å; D752-A755 VanDerWaalsContact O-N 3.12Å; D752-D756 WeakPolarHBondContact O-CB 3.41Å; D752-D756 PolarHBondContact O-N 3.44Å
753A55.6Low49.2Very low59 Ų59101.3 Ų101.349%0.48851%0.514SS..Hα-helixtrans-64.2-33.4173.100000112.8E749 S757E749-A753 WeakPolarHBondContact O-CB 3.32Å; E749-A753 PolarHBondContact O-N 3.22Å; A753-S757 WeakPolarHBondContact O-CB 3.45Å; A753-S757 PolarHBondContact O-N 3.36Å
754V54.6Low48.9Very low85 Ų85108.1 Ų108.152%0.51555%0.549SS..Hα-helixtrans-72.3-37.8170.8166.80000111.2L750 R751 D752 M758L750-V754 VanDerWaalsContact O-CB 3.25Å; L750-V754 WeakPolarHBondContact O-CB 3.22Å; L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.45Å; R751-V754 PolarHBondContact O-N 2.6Å; D752-V754 VanDerWaalsContact C-N 3.31Å; D752-V754 PolarHBondContact O-N 3.33Å; V754-M758 HydrophobicContact CG1-CG 4.4Å; V754-M758 VanDerWaalsContact O-CB 3.3Å; V754-M758 WeakPolarHBondContact O-CB 3.21Å; V754-M758 WeakPolarHBondContact O-CG 3.25Å; V754-M758 PolarHBondContact O-N 3.1Å
755A59.1Low48.2Very low39 Ų39112 Ų11232%0.32257%0.567SS.*Hα-helixtrans-64.4-39.5174.800000112.1R751 D752 M758 R759R751-A755 WeakPolarHBondContact O-CB 3.41Å; R751-A755 PolarHBondContact O-N 3.07Å; D752-A755 CarbonylContact O-C 3.59Å; D752-A755 WeakPolarHBondContact O-CB 3.48Å; D752-A755 PolarHBondContact O-N 3.49Å; D752-A755 VanDerWaalsContact O-N 3.12Å; A755-M758 CarbonylContact O-C 3.58Å; A755-M758 WeakPolarHBondContact O-CB 3.47Å; A755-M758 PolarHBondContact O-N 3.15Å; A755-R759 PolarHBondContact O-N 3.48Å
756D56.1Low47.6Very low75 Ų75114.5 Ų114.540%0.40158%0.584SS.*Hα-helixtrans-76.5-36.2176.7-80.5-7.5000112.9D752 M758 R759 N760D752-D756 WeakPolarHBondContact O-CB 3.41Å; D752-D756 PolarHBondContact O-N 3.44Å; D756-M758 PolarHBondContact O-N 3.12Å; D756-R759 PolarHBondContact O-N 3.27Å; D756-R759 IonicContact OD1-CZ 3.67Å; D756-R759 IonicContact OD1-NE 3.72Å; D756-R759 PolarHBondContact OD1-NE 3.25Å; D756-R759 IonicContact OD1-NH2 2.72Å; D756-R759 PolarHBondContact OD1-NH2 2.85Å; D756-N760 WeakPolarHBondContact O-CB 3.36Å; D756-N760 PolarHBondContact O-N 3.48Å
757S52.3Low47Very low72 Ų72118.8 Ų118.850%0.50361%0.614SS.*Hα-helixtrans-62.8-29.9167.6-175.60000112.1A753 L761A753-S757 WeakPolarHBondContact O-CB 3.45Å; A753-S757 PolarHBondContact O-N 3.36Å; S757-L761 WeakPolarHBondContact O-CB 3.47Å; S757-L761 PolarHBondContact O-N 3.42Å
758M44.8Very low46.1Very low116 Ų116120.8 Ų120.857%0.57164%0.637SS**Hα-helixtrans-78.2-31.8173.4-71.5-84.2-70.500112.3V754 A755 D756V754-M758 HydrophobicContact CG1-CG 4.4Å; V754-M758 VanDerWaalsContact O-CB 3.3Å; V754-M758 WeakPolarHBondContact O-CB 3.21Å; V754-M758 WeakPolarHBondContact O-CG 3.25Å; V754-M758 PolarHBondContact O-N 3.1Å; A755-M758 CarbonylContact O-C 3.58Å; A755-M758 WeakPolarHBondContact O-CB 3.47Å; A755-M758 PolarHBondContact O-N 3.15Å; D756-M758 PolarHBondContact O-N 3.12Å
759R52.8Low46.1Very low160 Ų160122.6 Ų122.660%0.60465%0.653SS**Hα-helixtrans-65.7-48.5169.7-83.6-170.5-92.3-121.4-0.2111.7A755 D756 L761 Y762A755-R759 PolarHBondContact O-N 3.48Å; D756-R759 PolarHBondContact O-N 3.27Å; D756-R759 IonicContact OD1-CZ 3.67Å; D756-R759 IonicContact OD1-NE 3.72Å; D756-R759 PolarHBondContact OD1-NE 3.25Å; D756-R759 IonicContact OD1-NH2 2.72Å; D756-R759 PolarHBondContact OD1-NH2 2.85Å; R759-L761 PolarHBondContact O-N 3.4Å; R759-Y762 PolarHBondContact O-N 2.96Å
760N41.4Very low45.1Very low123 Ų123119.5 Ų119.566%0.65866%0.66SS**Hα-helixtrans-68.8-21.4-178-68.7-13.6000112.9D756 Y762 V763D756-N760 WeakPolarHBondContact O-CB 3.36Å; D756-N760 PolarHBondContact O-N 3.48Å; N760-Y762 PolarHBondContact O-N 3.26Å; N760-V763 PolarHBondContact O-N 3.13Å
761L40.3Very low44.4Very low129 Ų129123.9 Ų123.968%0.67568%0.677SS**THydrogen-bonded Turntrans-70.3-6.6170-104.4162.4000114.5S757 R759S757-L761 WeakPolarHBondContact O-CB 3.47Å; S757-L761 PolarHBondContact O-N 3.42Å; R759-L761 PolarHBondContact O-N 3.4Å
762Y41Very low43.1Very low207 Ų207124.2 Ų124.281%0.81269%0.689SS**THydrogen-bonded Turntrans-109.612.7174.5-85.8-78.6000113.6R759 N760R759-Y762 PolarHBondContact O-N 2.96Å; N760-Y762 PolarHBondContact O-N 3.26Å
763V48.3Very low41.7Very low106 Ų106124.7 Ų124.764%0.64270%0.696SS**SBendtrans-132.170.5176.5-1680000111.4N760N760-V763 PolarHBondContact O-N 3.13Å
764M36.6Very low41.4Very low182 Ų182127 Ų12790%0.89771%0.706SS**SBendtrans-177.8151.3134.5-102-176.2-63.500111.4
765E33.6Very low40.2Very low185 Ų185132.5 Ų132.586%0.86473%0.726SS**  trans93.471174.8-58.3-172.9177.500117.9
766D29.4Very low38.6Very low171 Ų171136.3 Ų136.391%0.91475%0.746SS**  trans-11395.3137.5-102.6-40.4000107.7
767S36.5Very low37.3Very low122 Ų122139.6 Ų139.685%0.85376%0.758SS**  trans-16088.8177-76.40000109.9
768S31.1Very low36.2Very low119 Ų119142.7 Ų142.783%0.83277%0.765SS**  trans-139.7157.4169.879.40000109.9
769P44.4Very low35.6Very low127 Ų127144.9 Ų144.983%0.82577%0.774SS**  trans-112.5153-138.438.8-33.9000116.3
770G29.9Very low34.5Very low78 Ų78144.8 Ų144.880%0.80479%0.786SS**  trans95.6105.2133.400000117.5
771E31.2Very low34.1Very low204 Ų204148 Ų14895%0.95380%0.797SS**  trans-141.9163.4142.9-134.1165.5-151.300108.7
772N28.4Very low33.8Very low140 Ų140151.6 Ų151.675%0.74981%0.81SS**  trans-143.4145.5-156.4-161.68.7000113
773T27.9Very low33.4Very low119 Ų119148.8 Ų148.873%0.7380%0.804SS**  trans67.4166173.475.50000116.1
774P50.9Low32.7Very low109 Ų109150.1 Ų150.171%0.70880%0.803SS**  -137.1152.4-62.437.9-23.5000113.1
775E27.8Very low32.6Very low199 Ų199149.3 Ų149.393%0.9379%0.79SS**  trans-151.7170.4152-128156.4-140.600112.1
776T26.4Very low32.6Very low119 Ų119148.3 Ų148.373%0.7378%0.783SS**  trans-139.7175.9-146.4-40.40000111.3
777Q28.8Very low32.7Very low144 Ų144146.8 Ų146.867%0.67378%0.775SS**  trans82.8114.2168.6-52.6-166.2-91.900112.8
778E29.9Very low32.4Very low138 Ų138145 Ų14565%0.64578%0.776SS**  91.114388-76.2154.5-147.700110.4
779E30.8Very low32.3Very low161 Ų161143.3 Ų143.375%0.75278%0.777SS**  cis-154.3-163.70.5-134.3161.8-164.300111.5
780D30.5Very low31.8Very low159 Ų159141.7 Ų141.785%0.8578%0.775SS**  trans89.4127163-65.5-33.2000120.5
781E32.5Very low31.9Very low191 Ų191146 Ų14689%0.89378%0.779SS**  trans-104.1161.1-180-48.7175.7124.900110
782E33.1Very low32Very low203 Ų203139.7 Ų139.795%0.94977%0.769SS**  trans-149.8138.6141.1-127.2175.2-16700111.3
783E32.8Very low32.2Very low148 Ų148138.2 Ų138.269%0.69277%0.77SS**  trans-71.3152.3178-70-166.386.100111R785E783-R785 IonicContact OE1-CZ 2.65Å; E783-R785 IonicContact OE1-NE 3.58Å; E783-R785 IonicContact OE1-NH2 3.46Å; E783-R785 PolarHBondContact OE1-NH2 3.01Å; E783-R785 IonicContact OE2-NH2 3.25Å; E783-R785 PolarHBondContact OE2-NH2 3.34Å
784E34.1Very low32.5Very low135 Ų135138 Ų13863%0.63177%0.773SS**  -173.913970.6-92.8-158.7137.300113
785R33.9Very low31.6Very low165 Ų165135.7 Ų135.762%0.62377%0.769SS**  50.8136.8124.1-53.6176-167.5161.49118.8E783E783-R785 IonicContact OE1-CZ 2.65Å; E783-R785 IonicContact OE1-NE 3.58Å; E783-R785 IonicContact OE1-NH2 3.46Å; E783-R785 PolarHBondContact OE1-NH2 3.01Å; E783-R785 IonicContact OE2-NH2 3.25Å; E783-R785 PolarHBondContact OE2-NH2 3.34Å
786K34.2Very low32Very low163 Ų163134.9 Ų134.971%0.70977%0.765SS**  cis-170.6171.512.2-130.1-177.2168.6-158.90112.6
787D32.3Very low32.3Very low140 Ų140136.5 Ų136.575%0.74976%0.764SS**  trans53.1130.6157.5-51.7-23.8000117.8
788G29.8Very low32.5Very low84 Ų84134 Ų13487%0.86677%0.769SS**  cis145.8120.5700000109.9
789G29.3Very low32.7Very low84 Ų84135.7 Ų135.787%0.86678%0.776SS**  trans-178142.8-179.300000111.2
790A33.5Very low32.9Very low93 Ų93132 Ų13277%0.76977%0.774SS**  trans-130.2-178.6-160.700000114.6
791D32.3Very low33.1Very low169 Ų169133 Ų13390%0.90477%0.773SS**  trans71.2139175.6-59.7-25.8000118
792G32Very low33.3Very low71 Ų71129.6 Ų129.673%0.73277%0.765SS**  cis170.4155.2-10.400000116.8
793S33.2Very low33.3Very low109 Ų109125.7 Ų125.776%0.76276%0.76SS**  trans69.4123.1156.2-157.20000123
794S34Very low33.3Very low114 Ų114121.4 Ų121.480%0.79776%0.756SS**  trans61.3143138.8610000121.6
795G31.5Very low33.4Very low61 Ų61120.2 Ų120.263%0.62976%0.762SS**  cis-158.6159.81.800000111.4
796Q35.9Very low33.4Very low182 Ų182121.4 Ų121.485%0.8578%0.775SS**  66.6138.196.4-75.5-171.5-19.200115.8
797Q32.9Very low33.3Very low153 Ų153120.1 Ų120.172%0.71579%0.785SS**  cis-168.7-173.3-18.4-149.8166.7-17.800108.7
798A34.8Very low33.5Very low92 Ų92123 Ų12376%0.7679%0.794SS**  trans70.5113.8179.600000115.2
799Q32.3Very low33.7Very low173 Ų173122.9 Ų122.981%0.80879%0.793SS**  cis83.5151.814.8-141.3-179.310.500116.1
800A36.1Very low34Very low84 Ų84124.5 Ų124.569%0.69479%0.791SS**  trans76.3119.2-172.800000115.1
801E34.3Very low35.1Very low178 Ų178125.6 Ų125.683%0.83279%0.79SS**  cis99.7148.444.4-85177.2-164.600112.3
802V36.7Very low35.4Very low120 Ų120123.5 Ų123.573%0.72779%0.788SS**  cis-166.3162.3-25.7107.40000108.7
803S33.8Very low35.6Very low121 Ų121123.7 Ų123.785%0.84679%0.79SS**  trans65.7157.2168.871.90000118.3
804G32.6Very low36.1Very low59 Ų59124.4 Ų124.461%0.60879%0.794SS**  cis164.3161.4-8.500000112.7
805S35Very low36.6Very low109 Ų109132.4 Ų132.476%0.76282%0.815SS**  trans56.8118.5179.649.40000116.5
806E35.4Very low36.9Very low190 Ų190136 Ų13689%0.88883%0.825SS**  72.3118.159.6-67.1-179.7126.600115.1
807C32.4Very low36.9Very low137 Ų137133.6 Ų133.693%0.92682%0.823SS**  trans-167.5141137.9-119.40000110.5
808E36.2Very low37.1Very low201 Ų201132.5 Ų132.594%0.93983%0.829SS**  trans-88.8172.3176.9-53.8-179.6112.800111.8
809G32.7Very low37.3Very low81 Ų81134.9 Ų134.984%0.83583%0.833SS**  trans15776.6165.100000118.6
810S36.3Very low37.6Very low118 Ų118132.5 Ų132.583%0.82584%0.835SS**  trans-73176.5166.1-66.70000112.8
811P57.3Low37.7Very low115 Ų115135.7 Ų135.775%0.74784%0.844SS**  cis-136.9-163.8-39.337.3-19000112.7
812S38.6Very low37.9Very low125 Ų125132.7 Ų132.787%0.87485%0.845SS**  trans117.7160144.6790000118.1
813G36.1Very low38Very low75 Ų75133.7 Ų133.777%0.77385%0.854SS**  trans118.8112161.500000115.6
814C43Very low38.4Very low124 Ų124134.8 Ų134.884%0.83886%0.855SS**  trans-70149.2173.3-48.20000112.7
815F44.9Very low38.9Very low283 Ų283141.6 Ų141.6100%1.24188%0.877SS**  -157.50113.2-112.1-70.5000111.5

Retrieved 815 of 815 residues in 263.5 ms (Link to these results)

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