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Dystrophin Dp71b

Anchors the extracellular matrix to the cytoskeleton via F-actin. Ligand for dystroglycan. Component of the dystrophin-associated glycoprotein complex which accumulates at the neuromuscular junction (NMJ) and at a variety of synapses in the peripheral and central nervous systems and has a structural function in stabilizing the sarcolemma. Also implicated in signaling events and synaptic transmission.

AlphaFold DB , UniProt , Accession A0A023ZT56, Species MOUSE (Mus musculus, Mouse), Gene Dmd, Length 635 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
1M35.3Very low52Low231 Ų231137.4 Ų137.4100%1.13866%0.663SS**  098.10-172.2-177.7-67.300107.2
2R41.4Very low53.3Low115 Ų115133 Ų13343%0.43465%0.651SS.*PPolyproline II helixtrans-88.6137.1175-158.5170.8-175.2-175.7-6.2107.3D108 L111R2-D108 IonicContact CZ-OD1 3.73Å; R2-D108 IonicContact CZ-OD2 3.99Å; R2-D108 IonicContact NH1-OD1 2.81Å; R2-D108 PolarHBondContact NH1-OD1 3.46Å; R2-D108 IonicContact NH1-OD2 3.81Å; R2-D108 IonicContact NH2-OD1 2.75Å; R2-D108 PolarHBondContact NH2-OD1 3.37Å; R2-D108 IonicContact NH2-OD2 3.92Å; R2-D108 PolarHBondContact NH2-OD2 3.24Å; R2-L111 VanDerWaalsContact NH1-CD2 3.3Å
3E43Very low54.8Low179 Ų179129 Ų12984%0.83664%0.64SS**PPolyproline II helixtrans-63.9148-173.4-61.2-176.9112.500111.4L5E3-L5 PolarHBondContact O-N 3.3Å
4H54.5Low56.3Low88 Ų88123.6 Ų123.641%0.40762%0.619SS.*PPolyproline II helixtrans-62.1138.1175.5-52.1-20000110.2K6 T13 W15H4-K6 PolarHBondContact O-N 3.37Å; H4-T13 HydrophobicContact CB-CG2 3.85Å; H4-W15 AromaticContact CE1-CH2 3.37Å; H4-W15 WeakPolarHBondContact CE1-CH2 3.44Å; H4-W15 AromaticContact CE1-CZ2 3.52Å; H4-W15 AromaticContact CE1-CZ3 3.87Å; H4-W15 AromaticContact ND1-CH2 3.65Å; H4-W15 AromaticContact ND1-CZ2 4Å; H4-W15 AromaticContact ND1-CZ3 3.63Å
5L56.3Low57.8Low84 Ų84124.2 Ų124.244%0.4461%0.612SS.*EExtended strand (participates in β ladder)trans-70.4107.6172.4-79.7159.1000108.5E3 C14 H17E3-L5 PolarHBondContact O-N 3.3Å; L5-C14 PolarHBondContact N-O 3.3Å; L5-C14 PolarHBondContact O-N 3.47Å; L5-H17 HydrophobicContact CD1-CB 4.31Å
6K49.2Very low59.4Low145 Ų145118.8 Ų118.863%0.6359%0.586SS**EExtended strand (participates in β ladder)trans-83.5111178.3-74.7174.4179.8172.80109.8H4 H8 T13H4-K6 PolarHBondContact O-N 3.37Å; K6-H8 PolarHBondContact O-N 3.1Å; K6-H8 VanDerWaalsContact O-N 3.1Å; K6-T13 HydrophobicContact CG-CG2 3.8Å
7G52.8Low61Low28 Ų28113.9 Ų113.929%0.28956%0.561SS.*  trans-69.5101.1163.900000109.1E9 T10 Q11 T12G7-E9 PolarHBondContact O-N 3.24Å; G7-T10 PolarHBondContact O-N 3.3Å; G7-T10 PolarHBondContact O-OG1 3.13Å; G7-Q11 WeakPolarHBondContact O-CA 3.45Å; G7-Q11 PolarHBondContact O-N 3.07Å; G7-T12 PolarHBondContact N-O 3.27Å
8H54Low62.6Low171 Ų171111.9 Ų111.979%0.79256%0.558SS**THydrogen-bonded Turntrans-63.6-27.4-177.6-86-90.6000113.3K6K6-H8 PolarHBondContact O-N 3.1Å; K6-H8 VanDerWaalsContact O-N 3.1Å
9E56.5Low64.1Low198 Ų198111.5 Ų111.593%0.92555%0.553SS**THydrogen-bonded Turntrans-82.5-36.4176.6-60.9-178.3140.300112.7G7G7-E9 PolarHBondContact O-N 3.24Å
10T64.4Low65.6Low91 Ų91105.9 Ų105.956%0.55853%0.525SS*.THydrogen-bonded Turntrans-91.2-12.7-177.754.10000113.9G7 T12G7-T10 PolarHBondContact O-N 3.3Å; G7-T10 PolarHBondContact O-OG1 3.13Å; T10-T12 WeakPolarHBondContact CB-OG1 3.46Å; T10-T12 PolarHBondContact O-N 3.43Å; T10-T12 VanDerWaalsContact O-N 3.08Å; T10-T12 PolarHBondContact OG1-OG1 2.74Å
11Q64.2Low66.8Low181 Ų181103.1 Ų103.185%0.84651%0.514SS*.  trans56.712.6-169.7-55.1-172.82.800114.8G7G7-Q11 WeakPolarHBondContact O-CA 3.45Å; G7-Q11 PolarHBondContact O-N 3.07Å
12T67.7Low69.6Low85 Ų8598 Ų9852%0.52149%0.487SS..  trans-91.3143179.852.10000112.2G7 T10G7-T12 PolarHBondContact N-O 3.27Å; T10-T12 WeakPolarHBondContact CB-OG1 3.46Å; T10-T12 PolarHBondContact O-N 3.43Å; T10-T12 VanDerWaalsContact O-N 3.08Å; T10-T12 PolarHBondContact OG1-OG1 2.74Å
13T72.6Confident72.1Confident81 Ų8193.2 Ų93.250%0.49747%0.47SS..EExtended strand (participates in β ladder)trans-100.2124.8169.244.40000110H4 K6H4-T13 HydrophobicContact CB-CG2 3.85Å; K6-T13 HydrophobicContact CG-CG2 3.8Å
14C76.5Confident74.5Confident53 Ų5386.8 Ų86.836%0.35844%0.439SS..EExtended strand (participates in β ladder)trans-117.5152.4174.9-155.10000112L5 D16L5-C14 PolarHBondContact N-O 3.3Å; L5-C14 PolarHBondContact O-N 3.47Å; C14-D16 PolarHBondContact SG-N 3.07Å
15W78.1Confident76.4Confident133 Ų13389 Ų8950%0.50445%0.449SS..SBendtrans-79.4-38.2165.2-68.8114.2000111.5H4 N112 R122H4-W15 AromaticContact CE1-CH2 3.37Å; H4-W15 WeakPolarHBondContact CE1-CH2 3.44Å; H4-W15 AromaticContact CE1-CZ2 3.52Å; H4-W15 AromaticContact CE1-CZ3 3.87Å; H4-W15 AromaticContact ND1-CH2 3.65Å; H4-W15 AromaticContact ND1-CZ2 4Å; H4-W15 AromaticContact ND1-CZ3 3.63Å; W15-N112 PolarHBondContact O-OD1 3.03Å; W15-R122 HydrophobicContact CD2-CG 4.37Å; W15-R122 HydrophobicContact CZ2-CG 4.43Å
16D83.9Confident78.2Confident37 Ų3786 Ų8620%0.19844%0.435CS..SBendtrans-73.9140.7-178.7-77.4-80.5000112.3C14 T21 N112 N116C14-D16 PolarHBondContact SG-N 3.07Å; D16-T21 WeakPolarHBondContact CB-OG1 3.47Å; D16-N112 PolarHBondContact OD1-ND2 3.39Å; D16-N116 PolarHBondContact OD1-ND2 3.29Å
17H86.2Confident80.3Confident37 Ų3779.5 Ų79.517%0.17141%0.407CS..  trans-64.9135.9168.5-178-96.2000110L5 K19 M20 T21 L105L5-H17 HydrophobicContact CD1-CB 4.31Å; H17-K19 VanDerWaalsContact C-N 3.28Å; H17-K19 PolarHBondContact ND1-N 3.31Å; H17-K19 PolarHBondContact O-N 3.4Å; H17-K19 VanDerWaalsContact O-N 3.09Å; H17-M20 HydrophobicContact CB-CB 4.37Å; H17-M20 HydrophobicContact CB-CG 4.12Å; H17-M20 WeakPolarHBondContact O-CA 3.41Å; H17-M20 VanDerWaalsContact O-CB 3.3Å; H17-M20 WeakPolarHBondContact O-CB 3.25Å; H17-M20 PolarHBondContact O-N 3.36Å; H17-T21 PolarHBondContact O-N 3.05Å; H17-T21 VanDerWaalsContact O-N 3.09Å; H17-T21 PolarHBondContact O-OG1 3.23Å; H17-L105 WeakPolarHBondContact CE1-CD1 3.39Å
18P89.6Confident82.1Confident78 Ų7880.6 Ų80.651%0.50641%0.414SS..Hα-helixtrans-51.5-40.7-174.5-31.935.7000115M20 T21 E22P18-M20 VanDerWaalsContact C-N 3.31Å; P18-M20 PolarHBondContact O-N 3.04Å; P18-T21 WeakPolarHBondContact O-CB 3.5Å; P18-T21 PolarHBondContact O-N 3.1Å; P18-E22 PolarHBondContact O-N 3.02Å
19K91.9Very high83.9Confident103 Ų10377 Ų7745%0.44840%0.401SS..Hα-helixtrans-70.2-22175.2-62.7-161.5-171.7-176.90114.3H17 L23 L105 M109H17-K19 VanDerWaalsContact C-N 3.28Å; H17-K19 PolarHBondContact ND1-N 3.31Å; H17-K19 PolarHBondContact O-N 3.4Å; H17-K19 VanDerWaalsContact O-N 3.09Å; K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 3.43Å; K19-L105 HydrophobicContact CD-CD1 4.11Å; K19-L105 HydrophobicContact CD-CD2 4.03Å; K19-M109 HydrophobicContact CB-CE 4.07Å; K19-M109 HydrophobicContact CB-SD 3.82Å; K19-M109 HydrophobicContact CD-SD 4.41Å
20M92.9Very high85.6Confident0 Ų068.8 Ų68.80%036%0.363CS..Hα-helixtrans-74.4-40.7169.5-69.3-63.3-6100110.3H17 P18 L23 Y24 L47 L51 M109 N112 W113H17-M20 HydrophobicContact CB-CB 4.37Å; H17-M20 HydrophobicContact CB-CG 4.12Å; H17-M20 WeakPolarHBondContact O-CA 3.41Å; H17-M20 VanDerWaalsContact O-CB 3.3Å; H17-M20 WeakPolarHBondContact O-CB 3.25Å; H17-M20 PolarHBondContact O-N 3.36Å; P18-M20 VanDerWaalsContact C-N 3.31Å; P18-M20 PolarHBondContact O-N 3.04Å; M20-L23 HydrophobicContact CE-CD2 4.25Å; M20-L23 WeakPolarHBondContact O-CB 3.47Å; M20-L23 PolarHBondContact O-N 2.97Å; M20-L23 HydrophobicContact SD-CD2 3.99Å; M20-Y24 HydrophobicContact CB-CD2 4.49Å; M20-Y24 HydrophobicContact CB-CE2 4.32Å; M20-Y24 HydrophobicContact CE-CE2 3.65Å; M20-Y24 WeakPolarHBondContact O-CD2 3.16Å; M20-Y24 PolarHBondContact O-N 3.2Å; M20-L47 HydrophobicContact CE-CD1 4Å; M20-L51 HydrophobicContact SD-CD2 4.21Å; M20-M109 HydrophobicContact CG-CB 4.09Å; M20-M109 HydrophobicContact CG-CE 4.22Å; M20-M109 HydrophobicContact CG-CG 3.97Å; M20-M109 HydrophobicContact SD-CB 3.73Å; M20-M109 HydrophobicContact SD-CE 3.51Å; M20-M109 VanDerWaalsContact SD-CE 3.51Å; M20-M109 HydrophobicContact SD-CG 4.05Å; M20-N112 WeakPolarHBondContact CB-ND2 3.25Å; M20-N112 HydrophobicContact CG-CB 4.38Å; M20-W113 HydrophobicContact CE-CB 3.89Å
21T92Very high86.8Confident48 Ų4869 Ų6929%0.29436%0.36SS..Hα-helixtrans-60.3-48173.3-47.20000111.5D16 H17 P18 L23 Y24 Q25D16-T21 WeakPolarHBondContact CB-OG1 3.47Å; H17-T21 PolarHBondContact O-N 3.05Å; H17-T21 VanDerWaalsContact O-N 3.09Å; H17-T21 PolarHBondContact O-OG1 3.23Å; P18-T21 WeakPolarHBondContact O-CB 3.5Å; P18-T21 PolarHBondContact O-N 3.1Å; T21-L23 PolarHBondContact O-N 2.76Å; T21-Y24 PolarHBondContact O-N 3.47Å; T21-Q25 WeakPolarHBondContact O-CB 3.23Å; T21-Q25 VanDerWaalsContact O-CG 3.28Å; T21-Q25 WeakPolarHBondContact O-CG 3.36Å; T21-Q25 PolarHBondContact O-N 3.21Å
22E93.8Very high87.8Confident123 Ų12366.2 Ų66.258%0.57535%0.351SS*.Hα-helixtrans-56.8-46.5172.7-175.8-169.5173.600111.6P18 Q25 S26P18-E22 PolarHBondContact O-N 3.02Å; E22-Q25 PolarHBondContact O-N 3.24Å; E22-S26 WeakPolarHBondContact O-CB 3.25Å; E22-S26 PolarHBondContact O-N 3.21Å
23L94.8Very high88.8Confident14 Ų1462.4 Ų62.47%0.07333%0.328CS..Hα-helixtrans-59.4-50176.617763.2000111.6K19 M20 T21 Q25 S26 L27 R46 L47 A50 M109K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 3.43Å; M20-L23 HydrophobicContact CE-CD2 4.25Å; M20-L23 WeakPolarHBondContact O-CB 3.47Å; M20-L23 PolarHBondContact O-N 2.97Å; M20-L23 HydrophobicContact SD-CD2 3.99Å; T21-L23 PolarHBondContact O-N 2.76Å; L23-Q25 PolarHBondContact O-N 2.66Å; L23-S26 CarbonylContact O-C 3.57Å; L23-S26 WeakPolarHBondContact O-CA 3.34Å; L23-S26 WeakPolarHBondContact O-CB 3.43Å; L23-S26 PolarHBondContact O-N 2.87Å; L23-S26 VanDerWaalsContact O-N 3.12Å; L23-S26 PolarHBondContact O-OG 3.17Å; L23-L27 HydrophobicContact CD1-CD2 4.38Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.08Å; L23-R46 HydrophobicContact CD1-CG 4.12Å; L23-L47 HydrophobicContact CD2-CD1 3.68Å; L23-A50 HydrophobicContact CD1-CB 3.94Å; L23-A50 HydrophobicContact CD2-CB 3.65Å; L23-A50 HydrophobicContact CG-CB 4.43Å; L23-M109 HydrophobicContact CD2-CE 4.3Å
24Y93.4Very high89.4Confident45 Ų4566.6 Ų66.618%0.17634%0.335CS..Hα-helixtrans-62.8-40.1178.2-75.8-61000112.7M20 T21 S26 L27 Q179 L180M20-Y24 HydrophobicContact CB-CD2 4.49Å; M20-Y24 HydrophobicContact CB-CE2 4.32Å; M20-Y24 HydrophobicContact CE-CE2 3.65Å; M20-Y24 WeakPolarHBondContact O-CD2 3.16Å; M20-Y24 PolarHBondContact O-N 3.2Å; T21-Y24 PolarHBondContact O-N 3.47Å; Y24-S26 VanDerWaalsContact C-N 3.3Å; Y24-S26 PolarHBondContact O-N 3.45Å; Y24-L27 HydrophobicContact CD1-CD1 3.87Å; Y24-L27 HydrophobicContact CE1-CD1 4.25Å; Y24-L27 WeakPolarHBondContact O-CB 3.4Å; Y24-L27 PolarHBondContact O-N 3.46Å; Y24-Q179 VanDerWaalsContact CZ-NE2 3.25Å; Y24-Q179 PolarHBondContact OH-NE2 2.93Å; Y24-Q179 PolarHBondContact OH-OE1 3.46Å; Y24-Q179 VanDerWaalsContact OH-OE1 3.05Å; Y24-L180 HydrophobicContact CE1-CD2 4.17Å
25Q93.1Very high89.9Confident134 Ų13464.9 Ų64.963%0.62632%0.321SS*.Hα-helixtrans-58.1-44.8171.5-72.7169.6-4.500110.6T21 E22 L23 L27 A28T21-Q25 WeakPolarHBondContact O-CB 3.23Å; T21-Q25 VanDerWaalsContact O-CG 3.28Å; T21-Q25 WeakPolarHBondContact O-CG 3.36Å; T21-Q25 PolarHBondContact O-N 3.21Å; E22-Q25 PolarHBondContact O-N 3.24Å; L23-Q25 PolarHBondContact O-N 2.66Å; Q25-L27 PolarHBondContact O-N 3.42Å; Q25-A28 WeakPolarHBondContact O-CB 3.37Å; Q25-A28 PolarHBondContact O-N 3.34Å
26S95Very high90.4Very high22 Ų2259 Ų5915%0.15430%0.3CS..Hα-helixtrans-69.5-10.7175.587.60000114.7E22 L23 Y24 A28 R46E22-S26 WeakPolarHBondContact O-CB 3.25Å; E22-S26 PolarHBondContact O-N 3.21Å; L23-S26 CarbonylContact O-C 3.57Å; L23-S26 WeakPolarHBondContact O-CA 3.34Å; L23-S26 WeakPolarHBondContact O-CB 3.43Å; L23-S26 PolarHBondContact O-N 2.87Å; L23-S26 VanDerWaalsContact O-N 3.12Å; L23-S26 PolarHBondContact O-OG 3.17Å; Y24-S26 VanDerWaalsContact C-N 3.3Å; Y24-S26 PolarHBondContact O-N 3.45Å; S26-A28 VanDerWaalsContact C-N 3.26Å; S26-R46 VanDerWaalsContact CB-CZ 3.41Å; S26-R46 PolarHBondContact O-NH1 2.91Å; S26-R46 PolarHBondContact OG-NE 3.41Å; S26-R46 VanDerWaalsContact OG-NE 3.16Å; S26-R46 PolarHBondContact OG-NH2 2.99Å
27L93.6Very high90.7Very high7 Ų757.3 Ų57.34%0.03729%0.291CS..THydrogen-bonded Turntrans-76.5-16.4169.4-59.1-165.9000112L23 Y24 Q25 D29 L30 K43 R46 L180L23-L27 HydrophobicContact CD1-CD2 4.38Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.08Å; Y24-L27 HydrophobicContact CD1-CD1 3.87Å; Y24-L27 HydrophobicContact CE1-CD1 4.25Å; Y24-L27 WeakPolarHBondContact O-CB 3.4Å; Y24-L27 PolarHBondContact O-N 3.46Å; Q25-L27 PolarHBondContact O-N 3.42Å; L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.44Å; L27-L30 PolarHBondContact O-N 2.98Å; L27-K43 HydrophobicContact CB-CD 4.39Å; L27-K43 HydrophobicContact CB-CG 4.09Å; L27-K43 HydrophobicContact CD1-CB 4.15Å; L27-K43 HydrophobicContact CD1-CG 4.38Å; L27-K43 HydrophobicContact CD2-CB 4.46Å; L27-K43 VanDerWaalsContact O-CE 3.28Å; L27-K43 WeakPolarHBondContact O-CE 3.48Å; L27-R46 HydrophobicContact CD2-CB 3.99Å; L27-R46 HydrophobicContact CD2-CG 4.19Å; L27-L180 HydrophobicContact CD1-CD2 3.62Å
28A90Very high91Very high52 Ų5255.5 Ų55.543%0.4328%0.283SS..G310 helixtrans-67.7-30176.600000112.8Q25 S26 L30 N31Q25-A28 WeakPolarHBondContact O-CB 3.37Å; Q25-A28 PolarHBondContact O-N 3.34Å; S26-A28 VanDerWaalsContact C-N 3.26Å; A28-L30 PolarHBondContact O-N 3.02Å; A28-N31 VanDerWaalsContact O-CB 3.27Å; A28-N31 WeakPolarHBondContact O-CB 3.37Å; A28-N31 PolarHBondContact O-N 3.16Å; A28-N31 PolarHBondContact O-ND2 3.02Å
29D91Very high91.3Very high96 Ų9653.8 Ų53.851%0.51327%0.267SS..G310 helixtrans-49.4-32.6173.5-59.9-22.9000112.5L27 N32 R46L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.44Å; D29-N32 VanDerWaalsContact O-CG 3.32Å; D29-N32 PolarHBondContact O-ND2 3.46Å; D29-N32 PolarHBondContact O-OD1 3.15Å; D29-R46 IonicContact OD2-CZ 2.72Å; D29-R46 IonicContact OD2-NH1 2.74Å; D29-R46 PolarHBondContact OD2-NH1 2.94Å; D29-R46 IonicContact OD2-NH2 3.37Å
30L92.2Very high91.5Very high25 Ų2548.9 Ų48.913%0.13125%0.245CC..G310 helixtrans-87.2-4.6-175.2-60.6173000113.2L27 A28 N32 V33 R39 M42 K43L27-L30 PolarHBondContact O-N 2.98Å; A28-L30 PolarHBondContact O-N 3.02Å; L30-N32 PolarHBondContact O-N 2.69Å; L30-N32 VanDerWaalsContact O-N 3.15Å; L30-V33 WeakPolarHBondContact O-CB 3.47Å; L30-V33 WeakPolarHBondContact O-CG2 3.32Å; L30-V33 PolarHBondContact O-N 3.21Å; L30-R39 WeakPolarHBondContact O-CD 3.39Å; L30-R39 WeakPolarHBondContact O-CG 3.41Å; L30-M42 HydrophobicContact CD1-CB 3.92Å; L30-M42 HydrophobicContact CD2-CB 4.26Å; L30-M42 HydrophobicContact CD2-CE 3.82Å; L30-K43 HydrophobicContact CB-CG 4.2Å; L30-K43 HydrophobicContact CD1-CB 4.38Å; L30-K43 HydrophobicContact CD1-CG 3.79Å
31N90.3Very high91.7Very high94 Ų9448.9 Ų48.950%0.50325%0.245SC..G310 helixtrans-64.1-17.9178.6-70-20.4000113.1A28 V33 K43A28-N31 VanDerWaalsContact O-CB 3.27Å; A28-N31 WeakPolarHBondContact O-CB 3.37Å; A28-N31 PolarHBondContact O-N 3.16Å; A28-N31 PolarHBondContact O-ND2 3.02Å; N31-V33 VanDerWaalsContact C-N 3.26Å; N31-V33 PolarHBondContact O-N 3.28Å; N31-K43 WeakPolarHBondContact OD1-CE 3.46Å; N31-K43 PolarHBondContact OD1-NZ 3.1Å
32N85.8Confident91.9Very high124 Ų12448.3 Ų48.366%0.66324%0.24SC*.G310 helixtrans-70.2-14.7171.362.122.2000114.4D29 L30 R34D29-N32 VanDerWaalsContact O-CG 3.32Å; D29-N32 PolarHBondContact O-ND2 3.46Å; D29-N32 PolarHBondContact O-OD1 3.15Å; L30-N32 PolarHBondContact O-N 2.69Å; L30-N32 VanDerWaalsContact O-N 3.15Å; N32-R34 PolarHBondContact O-N 3.22Å
33V88.6Confident92.1Very high5 Ų543.1 Ų43.13%0.0322%0.215CC..  trans-73.1109.4179.5176.80000109.1L30 N31 F35 R39 M42 F274L30-V33 WeakPolarHBondContact O-CB 3.47Å; L30-V33 WeakPolarHBondContact O-CG2 3.32Å; L30-V33 PolarHBondContact O-N 3.21Å; N31-V33 VanDerWaalsContact C-N 3.26Å; N31-V33 PolarHBondContact O-N 3.28Å; V33-F35 VanDerWaalsContact C-N 3.31Å; V33-F35 PolarHBondContact O-N 3.04Å; V33-R39 HydrophobicContact CB-CB 3.87Å; V33-R39 HydrophobicContact CB-CG 4.27Å; V33-R39 HydrophobicContact CG1-CB 3.92Å; V33-R39 PolarHBondContact O-NH1 2.96Å; V33-M42 HydrophobicContact CG2-SD 4.02Å; V33-F274 HydrophobicContact CG1-CB 4.16Å; V33-F274 HydrophobicContact CG1-CD2 4.12Å; V33-F274 HydrophobicContact CG1-CG 4.03Å; V33-F274 HydrophobicContact CG2-CD2 4.34Å
34R85.5Confident92.2Very high169 Ų16942.5 Ų42.564%0.63821%0.212SC*.SBendtrans-62.1-33.2-171.8-171.8175.1-175.8161.35114.3N32 F274N32-R34 PolarHBondContact O-N 3.22Å; R34-F274 WeakPolarHBondContact CB-O 3.41Å; R34-F274 PolarHBondContact N-O 3.11Å
35F86.1Confident92.4Very high16 Ų1641.6 Ų41.67%0.0721%0.208CC..SBendtrans-92.4113.5-178-55.8-71.2000110.3V33 A37 Y38 R39 F273 F274 L327V33-F35 VanDerWaalsContact C-N 3.31Å; V33-F35 PolarHBondContact O-N 3.04Å; F35-A37 VanDerWaalsContact C-N 3.35Å; F35-A37 PolarHBondContact O-N 2.75Å; F35-Y38 HydrophobicContact CB-CD2 3.75Å; F35-Y38 HydrophobicContact CG-CD2 4.49Å; F35-Y38 PolarHBondContact O-N 2.73Å; F35-Y38 VanDerWaalsContact O-N 3.15Å; F35-R39 PolarHBondContact O-N 3.46Å; F35-F273 HydrophobicContact CD2-CD1 4.23Å; F35-F273 AromaticContact CD2-CE1 3.85Å; F35-F273 HydrophobicContact CD2-CE1 3.85Å; F35-F273 HydrophobicContact CD2-CZ 4.47Å; F35-F273 AromaticContact CE2-CD1 3.72Å; F35-F273 HydrophobicContact CE2-CD1 3.72Å; F35-F273 AromaticContact CE2-CE1 3.36Å; F35-F273 HydrophobicContact CE2-CE1 3.36Å; F35-F273 HydrophobicContact CE2-CE2 4.22Å; F35-F273 HydrophobicContact CE2-CG 4.29Å; F35-F273 AromaticContact CE2-CZ 3.65Å; F35-F273 HydrophobicContact CE2-CZ 3.65Å; F35-F273 AromaticContact CZ-CE1 3.97Å; F35-F273 HydrophobicContact CZ-CE1 3.97Å; F35-F273 HydrophobicContact CZ-CE2 4.24Å; F35-F273 AromaticContact CZ-CZ 3.75Å; F35-F273 HydrophobicContact CZ-CZ 3.75Å; F35-F274 HydrophobicContact CD2-CD1 4.13Å; F35-L327 HydrophobicContact CD1-CD2 4.06Å; F35-L327 HydrophobicContact CE1-CD2 3.6Å
36S89.6Confident92.7Very high10 Ų1040.1 Ų40.17%0.0720%0.197CC..Hα-helixtrans-60.9-36.6-17246.20000114.4R39 T40 S185S36-R39 PolarHBondContact O-N 3.03Å; S36-T40 VanDerWaalsContact O-CB 3.32Å; S36-T40 WeakPolarHBondContact O-CB 3.49Å; S36-T40 PolarHBondContact O-N 2.89Å; S36-T40 PolarHBondContact O-OG1 3.06Å; S36-S185 VanDerWaalsContact CB-CB 3.47Å; S36-S185 WeakPolarHBondContact CB-OG 3.04Å; S36-S185 WeakPolarHBondContact OG-CB 3.29Å; S36-S185 PolarHBondContact OG-OG 2.93Å
37A90.4Very high92.8Very high1 Ų139 Ų391%0.00819%0.189CC..Hα-helixtrans-62.2-44.4175.300000112F35 A41 F186 V225 V229F35-A37 VanDerWaalsContact C-N 3.35Å; F35-A37 PolarHBondContact O-N 2.75Å; A37-A41 WeakPolarHBondContact O-CB 3.2Å; A37-A41 PolarHBondContact O-N 2.89Å; A37-F186 HydrophobicContact CB-CE1 4.43Å; A37-V225 HydrophobicContact CB-CG1 4.43Å; A37-V225 HydrophobicContact CB-CG2 4.48Å; A37-V229 HydrophobicContact CB-CG2 4.19Å
38Y92.3Very high93.1Very high0 Ų039.1 Ų39.10%019%0.189CC..Hα-helixtrans-70.2-40.2175.5-67.6-89.3000112.2F35 T40 A41 M42 V229 V233 F256 F274 E290 Y326F35-Y38 HydrophobicContact CB-CD2 3.75Å; F35-Y38 HydrophobicContact CG-CD2 4.49Å; F35-Y38 PolarHBondContact O-N 2.73Å; F35-Y38 VanDerWaalsContact O-N 3.15Å; Y38-T40 PolarHBondContact O-N 3.07Å; Y38-A41 PolarHBondContact O-N 3.02Å; Y38-M42 WeakPolarHBondContact O-CB 3.29Å; Y38-M42 VanDerWaalsContact O-CG 3.25Å; Y38-M42 WeakPolarHBondContact O-CG 3.5Å; Y38-M42 PolarHBondContact O-N 3.14Å; Y38-V229 HydrophobicContact CD1-CG1 3.53Å; Y38-V229 HydrophobicContact CD2-CG1 4.31Å; Y38-V229 HydrophobicContact CE1-CG1 3.68Å; Y38-V229 HydrophobicContact CE2-CG1 4.41Å; Y38-V229 HydrophobicContact CG-CG1 3.86Å; Y38-V233 HydrophobicContact CD1-CG2 4.43Å; Y38-F256 HydrophobicContact CD1-CE2 4.2Å; Y38-F256 HydrophobicContact CD1-CZ 4.12Å; Y38-F256 HydrophobicContact CE1-CE1 4.08Å; Y38-F256 HydrophobicContact CE1-CE2 4.22Å; Y38-F256 AromaticContact CE1-CZ 3.76Å; Y38-F256 HydrophobicContact CE1-CZ 3.76Å; Y38-F274 AromaticContact CD1-CE1 3.71Å; Y38-F274 HydrophobicContact CD1-CE1 3.71Å; Y38-F274 AromaticContact CD1-CZ 3.51Å; Y38-F274 HydrophobicContact CD1-CZ 3.51Å; Y38-F274 HydrophobicContact CD2-CE1 4.29Å; Y38-F274 HydrophobicContact CE1-CE1 4.32Å; Y38-F274 HydrophobicContact CE1-CZ 4.31Å; Y38-F274 AromaticContact CG-CE1 3.7Å; Y38-F274 HydrophobicContact CG-CE1 3.7Å; Y38-F274 AromaticContact CG-CZ 3.81Å; Y38-F274 HydrophobicContact CG-CZ 3.81Å; Y38-E290 WeakPolarHBondContact CE1-OE2 3.14Å; Y38-E290 PolarHBondContact OH-OE1 3.13Å; Y38-E290 PolarHBondContact OH-OE2 2.86Å; Y38-Y326 HydrophobicContact CD2-CD2 4.43Å; Y38-Y326 HydrophobicContact CD2-CG 4.49Å; Y38-Y326 AromaticContact CE2-CD1 3.93Å; Y38-Y326 HydrophobicContact CE2-CD1 3.93Å; Y38-Y326 AromaticContact CE2-CD2 3.55Å; Y38-Y326 HydrophobicContact CE2-CD2 3.55Å; Y38-Y326 HydrophobicContact CE2-CE1 4.33Å; Y38-Y326 AromaticContact CE2-CE2 4Å; Y38-Y326 HydrophobicContact CE2-CE2 4Å; Y38-Y326 AromaticContact CE2-CG 3.49Å; Y38-Y326 HydrophobicContact CE2-CG 3.49Å; Y38-Y326 VanDerWaalsContact CE2-CG 3.49Å; Y38-Y326 WeakPolarHBondContact OH-CD1 3.41Å; Y38-Y326 VanDerWaalsContact OH-CE1 3.28Å; Y38-Y326 WeakPolarHBondContact OH-CE1 3.36Å
39R94.9Very high93.4Very high42 Ų4240.9 Ų40.916%0.15819%0.187CC..Hα-helixtrans-56.3-51.1174.8-178.8170.562.4-1227.2111.2L30 V33 F35 S36 M42 K43 E182L30-R39 WeakPolarHBondContact O-CD 3.39Å; L30-R39 WeakPolarHBondContact O-CG 3.41Å; V33-R39 HydrophobicContact CB-CB 3.87Å; V33-R39 HydrophobicContact CB-CG 4.27Å; V33-R39 HydrophobicContact CG1-CB 3.92Å; V33-R39 PolarHBondContact O-NH1 2.96Å; F35-R39 PolarHBondContact O-N 3.46Å; S36-R39 PolarHBondContact O-N 3.03Å; R39-M42 PolarHBondContact O-N 3.43Å; R39-K43 HydrophobicContact CG-CD 4.42Å; R39-K43 WeakPolarHBondContact O-CB 3.27Å; R39-K43 WeakPolarHBondContact O-CG 3.48Å; R39-K43 PolarHBondContact O-N 2.83Å; R39-E182 WeakPolarHBondContact CD-OE1 3.41Å; R39-E182 WeakPolarHBondContact CG-OE1 3.49Å; R39-E182 IonicContact CZ-OE1 3.3Å; R39-E182 IonicContact CZ-OE2 3.92Å; R39-E182 VanDerWaalsContact CZ-OE2 3.31Å; R39-E182 VanDerWaalsContact NE-CD 3.31Å; R39-E182 IonicContact NE-OE1 2.98Å; R39-E182 PolarHBondContact NE-OE1 3.39Å; R39-E182 IonicContact NE-OE2 3.82Å; R39-E182 PolarHBondContact NE-OE2 3.46Å; R39-E182 IonicContact NH2-OE1 3.98Å; R39-E182 IonicContact NH2-OE2 2.97Å; R39-E182 PolarHBondContact NH2-OE2 2.71Å
40T96.9Very high93.7Very high0 Ų038 Ų380%018%0.177CC..Hα-helixtrans-63.4-44.7178.1-52.20000111.1S36 Y38 M42 K43 L44 P177 L180 E182 F186 W226S36-T40 VanDerWaalsContact O-CB 3.32Å; S36-T40 WeakPolarHBondContact O-CB 3.49Å; S36-T40 PolarHBondContact O-N 2.89Å; S36-T40 PolarHBondContact O-OG1 3.06Å; Y38-T40 PolarHBondContact O-N 3.07Å; T40-M42 PolarHBondContact O-N 3.27Å; T40-K43 WeakPolarHBondContact O-CB 3.48Å; T40-K43 PolarHBondContact O-N 2.95Å; T40-L44 HydrophobicContact CG2-CD1 4.13Å; T40-L44 HydrophobicContact CG2-CG 4.47Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.48Å; T40-L44 PolarHBondContact O-N 3.37Å; T40-P177 HydrophobicContact CG2-CB 4.03Å; T40-L180 HydrophobicContact CG2-CD1 4.05Å; T40-E182 HydrophobicContact CG2-CB 4.31Å; T40-E182 HydrophobicContact CG2-CG 4.38Å; T40-E182 WeakPolarHBondContact OG1-CB 3.48Å; T40-E182 WeakPolarHBondContact OG1-CG 3.34Å; T40-F186 HydrophobicContact CG2-CE2 3.79Å; T40-F186 HydrophobicContact CG2-CZ 3.85Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.28Å; T40-F186 VanDerWaalsContact OG1-CZ 3.31Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.44Å; T40-W226 HydrophobicContact CG2-CB 4.15Å
41A96.6Very high94Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-61.6-39.5176.100000113.3A37 Y38 L44 R45 V229 L230 V233A37-A41 WeakPolarHBondContact O-CB 3.2Å; A37-A41 PolarHBondContact O-N 2.89Å; Y38-A41 PolarHBondContact O-N 3.02Å; A41-L44 PolarHBondContact O-N 3.45Å; A41-R45 WeakPolarHBondContact O-CB 3.35Å; A41-R45 PolarHBondContact O-N 3.43Å; A41-V229 HydrophobicContact CB-CB 4.04Å; A41-V229 HydrophobicContact CB-CG1 3.6Å; A41-L230 HydrophobicContact CB-CB 4.25Å; A41-L230 WeakPolarHBondContact O-CD1 3.25Å; A41-V233 HydrophobicContact CB-CG2 3.83Å
42M95.8Very high94.3Very high36 Ų3633.1 Ų33.118%0.17715%0.152CC..Hα-helixtrans-69.6-39.9175.2-70.7176.87700111.9L30 V33 Y38 R39 T40 R45 R46 V233 F274L30-M42 HydrophobicContact CD1-CB 3.92Å; L30-M42 HydrophobicContact CD2-CB 4.26Å; L30-M42 HydrophobicContact CD2-CE 3.82Å; V33-M42 HydrophobicContact CG2-SD 4.02Å; Y38-M42 WeakPolarHBondContact O-CB 3.29Å; Y38-M42 VanDerWaalsContact O-CG 3.25Å; Y38-M42 WeakPolarHBondContact O-CG 3.5Å; Y38-M42 PolarHBondContact O-N 3.14Å; R39-M42 PolarHBondContact O-N 3.43Å; T40-M42 PolarHBondContact O-N 3.27Å; M42-R45 PolarHBondContact O-N 3.22Å; M42-R46 PolarHBondContact O-N 2.95Å; M42-V233 HydrophobicContact CG-CG1 4.06Å; M42-V233 HydrophobicContact CG-CG2 4.15Å; M42-F274 HydrophobicContact CE-CE2 4.46Å; M42-F274 HydrophobicContact SD-CD2 3.89Å; M42-F274 HydrophobicContact SD-CE2 3.5Å; M42-F274 VanDerWaalsContact SD-CE2 3.5Å
43K97.9Very high94.9Very high14 Ų1427.2 Ų27.26%0.06112%0.121CC..Hα-helixtrans-58.4-49.7171.7-76.4179.8175.5176.20110.8L27 L30 N31 R39 T40 R45 R46 L47 L180 E182L27-K43 HydrophobicContact CB-CD 4.39Å; L27-K43 HydrophobicContact CB-CG 4.09Å; L27-K43 HydrophobicContact CD1-CB 4.15Å; L27-K43 HydrophobicContact CD1-CG 4.38Å; L27-K43 HydrophobicContact CD2-CB 4.46Å; L27-K43 VanDerWaalsContact O-CE 3.28Å; L27-K43 WeakPolarHBondContact O-CE 3.48Å; L30-K43 HydrophobicContact CB-CG 4.2Å; L30-K43 HydrophobicContact CD1-CB 4.38Å; L30-K43 HydrophobicContact CD1-CG 3.79Å; N31-K43 WeakPolarHBondContact OD1-CE 3.46Å; N31-K43 PolarHBondContact OD1-NZ 3.1Å; R39-K43 HydrophobicContact CG-CD 4.42Å; R39-K43 WeakPolarHBondContact O-CB 3.27Å; R39-K43 WeakPolarHBondContact O-CG 3.48Å; R39-K43 PolarHBondContact O-N 2.83Å; T40-K43 WeakPolarHBondContact O-CB 3.48Å; T40-K43 PolarHBondContact O-N 2.95Å; K43-R45 VanDerWaalsContact C-N 3.34Å; K43-R45 PolarHBondContact O-N 3.46Å; K43-R46 PolarHBondContact O-N 2.84Å; K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 PolarHBondContact O-N 3.28Å; K43-L180 HydrophobicContact CB-CD1 3.83Å; K43-E182 IonicContact NZ-OE1 2.69Å; K43-E182 PolarHBondContact NZ-OE1 2.98Å
44L98.3Very high95.3Very high0 Ų028.7 Ų28.70%013%0.128CC..Hα-helixtrans-63.4-34.3175.4-69.9174.2000112.7T40 A41 L47 Q48 I176 L180 W226 L230T40-L44 HydrophobicContact CG2-CD1 4.13Å; T40-L44 HydrophobicContact CG2-CG 4.47Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.48Å; T40-L44 PolarHBondContact O-N 3.37Å; A41-L44 PolarHBondContact O-N 3.45Å; L44-L47 HydrophobicContact CD2-CD2 4.15Å; L44-L47 PolarHBondContact O-N 2.94Å; L44-Q48 WeakPolarHBondContact O-CB 3.41Å; L44-Q48 PolarHBondContact O-N 3.4Å; L44-I176 HydrophobicContact CD1-CG2 4.09Å; L44-I176 HydrophobicContact CD2-CG2 3.57Å; L44-L180 HydrophobicContact CD2-CD1 3.6Å; L44-L180 HydrophobicContact CD2-CG 4.49Å; L44-L180 HydrophobicContact CG-CD1 3.68Å; L44-W226 HydrophobicContact CD1-CD2 4.26Å; L44-W226 HydrophobicContact CD1-CE3 3.43Å; L44-W226 VanDerWaalsContact CD1-CE3 3.43Å; L44-W226 HydrophobicContact CD1-CZ3 3.96Å; L44-L230 HydrophobicContact CB-CD1 4.13Å; L44-L230 HydrophobicContact CB-CD2 4.25Å
45R97.8Very high95.9Very high26 Ų2622.2 Ų22.210%0.09811%0.106CC..Hα-helixtrans-68.3-40.3176.1-174.761.5175.4144.33.3112.3A41 M42 K43 Q48 K49 D54 L230 V233 E237A41-R45 WeakPolarHBondContact O-CB 3.35Å; A41-R45 PolarHBondContact O-N 3.43Å; M42-R45 PolarHBondContact O-N 3.22Å; K43-R45 VanDerWaalsContact C-N 3.34Å; K43-R45 PolarHBondContact O-N 3.46Å; R45-Q48 VanDerWaalsContact CD-OE1 3.27Å; R45-Q48 PolarHBondContact O-N 3.3Å; R45-K49 VanDerWaalsContact CZ-CE 3.44Å; R45-K49 PolarHBondContact O-N 3.34Å; R45-D54 IonicContact CZ-OD2 3.31Å; R45-D54 VanDerWaalsContact NH1-CG 3.31Å; R45-D54 IonicContact NH1-OD2 3.2Å; R45-D54 PolarHBondContact NH1-OD2 3.19Å; R45-D54 IonicContact NH2-OD2 2.69Å; R45-D54 PolarHBondContact NH2-OD2 2.94Å; R45-L230 HydrophobicContact CB-CD1 3.83Å; R45-V233 HydrophobicContact CB-CG1 4.03Å; R45-V233 HydrophobicContact CG-CG1 4.05Å; R45-E237 VanDerWaalsContact CG-OE1 3.28Å; R45-E237 WeakPolarHBondContact CG-OE1 3.33Å; R45-E237 IonicContact CZ-OE2 3.06Å; R45-E237 VanDerWaalsContact CZ-OE2 3.22Å; R45-E237 IonicContact NE-OE1 2.71Å; R45-E237 PolarHBondContact NE-OE1 3.05Å; R45-E237 IonicContact NE-OE2 2.81Å; R45-E237 PolarHBondContact NE-OE2 3.22Å; R45-E237 IonicContact NH2-OE2 3.23Å; R45-E237 PolarHBondContact NH2-OE2 2.7Å
46R97.9Very high96.5Very high103 Ų10321.5 Ų21.539%0.38910%0.103SC..Hα-helixtrans-65.1-42.1174.8-166.2170.3-175.4169.56.9110.8L23 S26 L27 D29 M42 K43 A50L23-R46 HydrophobicContact CD1-CG 4.12Å; S26-R46 VanDerWaalsContact CB-CZ 3.41Å; S26-R46 PolarHBondContact O-NH1 2.91Å; S26-R46 PolarHBondContact OG-NE 3.41Å; S26-R46 VanDerWaalsContact OG-NE 3.16Å; S26-R46 PolarHBondContact OG-NH2 2.99Å; L27-R46 HydrophobicContact CD2-CB 3.99Å; L27-R46 HydrophobicContact CD2-CG 4.19Å; D29-R46 IonicContact OD2-CZ 2.72Å; D29-R46 IonicContact OD2-NH1 2.74Å; D29-R46 PolarHBondContact OD2-NH1 2.94Å; D29-R46 IonicContact OD2-NH2 3.37Å; M42-R46 PolarHBondContact O-N 2.95Å; K43-R46 PolarHBondContact O-N 2.84Å; R46-A50 WeakPolarHBondContact O-CB 3.48Å; R46-A50 PolarHBondContact O-N 3.36Å; R46-A50 VanDerWaalsContact O-N 3.15Å
47L98.1Very high96.8Very high0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-62.9-49.4172.5174.468.3000112.9M20 L23 K43 L44 K49 A50 L51 W113 L138M20-L47 HydrophobicContact CE-CD1 4Å; L23-L47 HydrophobicContact CD2-CD1 3.68Å; K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 PolarHBondContact O-N 3.28Å; L44-L47 HydrophobicContact CD2-CD2 4.15Å; L44-L47 PolarHBondContact O-N 2.94Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3.36Å; L47-A50 PolarHBondContact O-N 2.99Å; L47-A50 VanDerWaalsContact O-N 3.07Å; L47-L51 HydrophobicContact CD1-CD1 3.79Å; L47-L51 HydrophobicContact CD1-CG 3.98Å; L47-L51 HydrophobicContact CG-CD1 4.09Å; L47-L51 HydrophobicContact CG-CG 4.47Å; L47-L51 WeakPolarHBondContact O-CG 3.46Å; L47-L51 PolarHBondContact O-N 2.93Å; L47-W113 HydrophobicContact CD1-CG 4.4Å; L47-W113 HydrophobicContact CD2-CD2 4.49Å; L47-W113 HydrophobicContact CD2-CG 4.38Å; L47-L138 HydrophobicContact CD2-CD1 4.29Å
48Q98.3Very high97.2Very high8 Ų824 Ų244%0.03712%0.118CC..Hα-helixtrans-54.5-43.8-178.8-176.4-169.231.700111.6L44 R45 L51 C52 L53 D54 L138L44-Q48 WeakPolarHBondContact O-CB 3.41Å; L44-Q48 PolarHBondContact O-N 3.4Å; R45-Q48 VanDerWaalsContact CD-OE1 3.27Å; R45-Q48 PolarHBondContact O-N 3.3Å; Q48-L51 CarbonylContact O-C 3.55Å; Q48-L51 PolarHBondContact O-N 2.99Å; Q48-C52 PolarHBondContact O-N 3.22Å; Q48-C52 VanDerWaalsContact O-N 3.11Å; Q48-L53 HydrophobicContact CG-CB 4.25Å; Q48-L53 PolarHBondContact O-N 3.31Å; Q48-D54 HydrophobicContact CG-CB 3.88Å; Q48-L138 HydrophobicContact CG-CB 4.37Å; Q48-L138 WeakPolarHBondContact CG-O 3.33Å; Q48-L138 PolarHBondContact NE2-O 3.22Å
49K97.3Very high97.4Very high89 Ų8927.5 Ų27.539%0.38714%0.142SC..Hα-helixtrans-66.8-44.2174.5-78.6176171169.70113.1R45 L47 L51 C52 D54 E237R45-K49 VanDerWaalsContact CZ-CE 3.44Å; R45-K49 PolarHBondContact O-N 3.34Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3.36Å; K49-L51 PolarHBondContact O-N 2.98Å; K49-C52 PolarHBondContact O-N 2.98Å; K49-D54 WeakPolarHBondContact CG-OD2 3.28Å; K49-E237 WeakPolarHBondContact CE-OE2 3.32Å; K49-E237 IonicContact NZ-OE1 3.55Å; K49-E237 PolarHBondContact NZ-OE1 3.18Å; K49-E237 IonicContact NZ-OE2 3.54Å; K49-E237 PolarHBondContact NZ-OE2 2.92Å
50A97.4Very high97.6Very high37 Ų3725.7 Ų25.731%0.30614%0.136SC..Hα-helixtrans-65-24.6178.100000113.1L23 R46 L47 M109L23-A50 HydrophobicContact CD1-CB 3.94Å; L23-A50 HydrophobicContact CD2-CB 3.65Å; L23-A50 HydrophobicContact CG-CB 4.43Å; R46-A50 WeakPolarHBondContact O-CB 3.48Å; R46-A50 PolarHBondContact O-N 3.36Å; R46-A50 VanDerWaalsContact O-N 3.15Å; L47-A50 PolarHBondContact O-N 2.99Å; L47-A50 VanDerWaalsContact O-N 3.07Å; A50-M109 HydrophobicContact CB-CE 4.36Å
51L97.6Very high97.6Very high0 Ų025.7 Ų25.70%014%0.136CC..THydrogen-bonded Turntrans-94.72.9171-58.9-176000113.5M20 L47 Q48 K49 L53 Y90 M109 C110 W113M20-L51 HydrophobicContact SD-CD2 4.21Å; L47-L51 HydrophobicContact CD1-CD1 3.79Å; L47-L51 HydrophobicContact CD1-CG 3.98Å; L47-L51 HydrophobicContact CG-CD1 4.09Å; L47-L51 HydrophobicContact CG-CG 4.47Å; L47-L51 WeakPolarHBondContact O-CG 3.46Å; L47-L51 PolarHBondContact O-N 2.93Å; Q48-L51 CarbonylContact O-C 3.55Å; Q48-L51 PolarHBondContact O-N 2.99Å; K49-L51 PolarHBondContact O-N 2.98Å; L51-L53 HydrophobicContact CB-CD1 4.03Å; L51-L53 HydrophobicContact CB-CG 3.89Å; L51-L53 HydrophobicContact CD1-CD1 4.07Å; L51-L53 PolarHBondContact O-N 3.09Å; L51-Y90 VanDerWaalsContact O-CE1 3.3Å; L51-Y90 WeakPolarHBondContact O-CE1 3.39Å; L51-Y90 PolarHBondContact O-OH 3.44Å; L51-M109 HydrophobicContact CD2-CB 3.64Å; L51-C110 HydrophobicContact CD2-CB 4.16Å; L51-W113 HydrophobicContact CD1-CB 3.99Å; L51-W113 HydrophobicContact CD1-CD2 3.82Å; L51-W113 HydrophobicContact CD1-CE3 3.68Å; L51-W113 HydrophobicContact CD1-CG 3.94Å; L51-W113 HydrophobicContact CD1-CZ3 4.48Å
52C98Very high97.7Very high16 Ų1627 Ų2711%0.10815%0.145CC..THydrogen-bonded Turntrans53.617.8-175-54.30000115.3Q48 K49 D54 L55 Y90 V101Q48-C52 PolarHBondContact O-N 3.22Å; Q48-C52 VanDerWaalsContact O-N 3.11Å; K49-C52 PolarHBondContact O-N 2.98Å; C52-D54 PolarHBondContact O-N 3.25Å; C52-L55 HydrophobicContact CB-CD1 4.18Å; C52-L55 HydrophobicContact CB-CG 4.5Å; C52-L55 VanDerWaalsContact O-CB 3.28Å; C52-L55 WeakPolarHBondContact O-CB 3.33Å; C52-L55 PolarHBondContact O-N 3.06Å; C52-Y90 HydrophobicContact CB-CE1 4.44Å; C52-V101 HydrophobicContact CB-CG2 4.48Å
53L98.3Very high97.7Very high0 Ų028 Ų280%015%0.151CC..G310 helixtrans-72.9-17.5-176.4-67176.3000112.4Q48 L51 L55 L56 Y90 W113 I135 L138 C139 K140Q48-L53 HydrophobicContact CG-CB 4.25Å; Q48-L53 PolarHBondContact O-N 3.31Å; L51-L53 HydrophobicContact CB-CD1 4.03Å; L51-L53 HydrophobicContact CB-CG 3.89Å; L51-L53 HydrophobicContact CD1-CD1 4.07Å; L51-L53 PolarHBondContact O-N 3.09Å; L53-L55 PolarHBondContact O-N 3.34Å; L53-L56 HydrophobicContact CD2-CD2 3.94Å; L53-L56 WeakPolarHBondContact O-CB 3.34Å; L53-L56 PolarHBondContact O-N 2.92Å; L53-Y90 WeakPolarHBondContact CD2-OH 3.31Å; L53-W113 HydrophobicContact CD1-CZ3 4.17Å; L53-I135 HydrophobicContact CD1-CD1 4.48Å; L53-I135 HydrophobicContact CD2-CD1 4.21Å; L53-L138 CarbonylContact C-O 3.02Å; L53-L138 HydrophobicContact CB-CB 4.1Å; L53-L138 WeakPolarHBondContact CB-O 3.32Å; L53-L138 HydrophobicContact CD1-CB 3.75Å; L53-L138 HydrophobicContact CD1-CD1 4.12Å; L53-C139 CarbonylContact O-C 3.13Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.2Å; L53-K140 PolarHBondContact O-N 3.36Å
54D97Very high97.7Very high35 Ų3527.5 Ų27.519%0.18715%0.15CC..G310 helixtrans-74.1-0.616765.3-30.7000114.3R45 Q48 K49 C52 K140R45-D54 IonicContact CZ-OD2 3.31Å; R45-D54 VanDerWaalsContact NH1-CG 3.31Å; R45-D54 IonicContact NH1-OD2 3.2Å; R45-D54 PolarHBondContact NH1-OD2 3.19Å; R45-D54 IonicContact NH2-OD2 2.69Å; R45-D54 PolarHBondContact NH2-OD2 2.94Å; Q48-D54 HydrophobicContact CG-CB 3.88Å; K49-D54 WeakPolarHBondContact CG-OD2 3.28Å; C52-D54 PolarHBondContact O-N 3.25Å; D54-K140 WeakPolarHBondContact O-CB 3.24Å; D54-K140 WeakPolarHBondContact O-CD 3.47Å
55L97Very high97.7Very high33 Ų3327.8 Ų27.817%0.17315%0.151CC..G310 helixtrans-94.2-15.3164.1-52.2-177000112.5C52 L53 S57 L93 H97 L100 V101 K140C52-L55 HydrophobicContact CB-CD1 4.18Å; C52-L55 HydrophobicContact CB-CG 4.5Å; C52-L55 VanDerWaalsContact O-CB 3.28Å; C52-L55 WeakPolarHBondContact O-CB 3.33Å; C52-L55 PolarHBondContact O-N 3.06Å; L53-L55 PolarHBondContact O-N 3.34Å; L55-S57 PolarHBondContact O-N 2.94Å; L55-L93 HydrophobicContact CB-CD2 4.02Å; L55-L93 WeakPolarHBondContact O-CD2 3.42Å; L55-H97 HydrophobicContact CD1-CB 4.18Å; L55-L100 HydrophobicContact CD1-CB 4.47Å; L55-V101 HydrophobicContact CD1-CG2 4.13Å; L55-K140 WeakPolarHBondContact O-CD 3.46Å; L55-K140 WeakPolarHBondContact O-CE 3.5Å; L55-K140 PolarHBondContact O-NZ 2.87Å
56L98.1Very high97.6Very high1 Ų130.6 Ų30.61%0.00517%0.168CC..  trans-81.2116.6-174.8-176.154.5000113.2L53 A60 A61 I89 L93 I135 C139 K140L53-L56 HydrophobicContact CD2-CD2 3.94Å; L53-L56 WeakPolarHBondContact O-CB 3.34Å; L53-L56 PolarHBondContact O-N 2.92Å; L56-A60 HydrophobicContact CD1-CB 3.95Å; L56-A61 HydrophobicContact CD1-CB 4.19Å; L56-A61 HydrophobicContact CD2-CB 4.04Å; L56-A61 HydrophobicContact CG-CB 4.08Å; L56-I89 HydrophobicContact CD1-CG2 3.91Å; L56-I89 HydrophobicContact CD2-CG2 3.92Å; L56-L93 HydrophobicContact CB-CD1 4.22Å; L56-L93 HydrophobicContact CD1-CD1 4.4Å; L56-I135 HydrophobicContact CD2-CG2 3.59Å; L56-C139 HydrophobicContact CB-CB 4.26Å; L56-C139 HydrophobicContact CD2-CB 4.44Å; L56-C139 HydrophobicContact CG-CB 4.23Å; L56-C139 WeakPolarHBondContact O-CB 3.32Å; L56-K140 WeakPolarHBondContact O-CG 3.33Å; L56-K140 PolarHBondContact O-N 3.47Å
57S97.9Very high97.6Very high30 Ų3031.6 Ų31.621%0.2118%0.177CC..  trans-76.6155.9171.674.70000112.3L55 S59 A60 A61L55-S57 PolarHBondContact O-N 2.94Å; S57-S59 VanDerWaalsContact C-N 3.3Å; S57-S59 PolarHBondContact O-N 3.42Å; S57-A60 PolarHBondContact O-N 3.01Å; S57-A60 VanDerWaalsContact OG-CB 3.28Å; S57-A60 WeakPolarHBondContact OG-CB 3.28Å; S57-A60 PolarHBondContact OG-N 3.24Å; S57-A61 PolarHBondContact O-N 2.9Å
58L97.6Very high97.5Very high35 Ų3534.6 Ų34.618%0.18319%0.191CC..Hα-helixtrans-60.4-40.4173.7179.758.2000111.6A61 C62 I136 A141 D145 Y149L58-A61 PolarHBondContact O-N 3.48Å; L58-C62 WeakPolarHBondContact O-CB 3.43Å; L58-C62 PolarHBondContact O-N 3.21Å; L58-C62 PolarHBondContact O-SG 2.94Å; L58-I136 HydrophobicContact CD1-CD1 3.81Å; L58-I136 HydrophobicContact CD1-CG2 4.17Å; L58-A141 HydrophobicContact CB-CB 3.66Å; L58-D145 HydrophobicContact CD2-CB 3.86Å; L58-Y149 HydrophobicContact CD1-CD2 3.87Å; L58-Y149 HydrophobicContact CD1-CE2 4.48Å; L58-Y149 HydrophobicContact CD1-CG 4.05Å
59S97.6Very high97.4Very high72 Ų7239.7 Ų39.750%0.50322%0.219SC..Hα-helixtrans-60.1-51.6176.7-161.70000110.7S57 A61 C62 D63S57-S59 VanDerWaalsContact C-N 3.3Å; S57-S59 PolarHBondContact O-N 3.42Å; S59-A61 VanDerWaalsContact C-N 3.28Å; S59-A61 PolarHBondContact O-N 2.91Å; S59-C62 WeakPolarHBondContact O-CB 3.31Å; S59-C62 PolarHBondContact O-N 3.14Å; S59-C62 VanDerWaalsContact O-N 3.07Å; S59-D63 PolarHBondContact O-N 2.9Å
60A97.4Very high97.2Very high4 Ų436 Ų363%0.03320%0.203CC..Hα-helixtrans-61.8-35.5-17900000113L56 S57 A64L56-A60 HydrophobicContact CD1-CB 3.95Å; S57-A60 PolarHBondContact O-N 3.01Å; S57-A60 VanDerWaalsContact OG-CB 3.28Å; S57-A60 WeakPolarHBondContact OG-CB 3.28Å; S57-A60 PolarHBondContact OG-N 3.24Å; A60-A64 PolarHBondContact O-N 3.17Å
61A97.8Very high96.8Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-66-45.6172.300000112.1L56 S57 L58 S59 A64 L65 I135 I136L56-A61 HydrophobicContact CD1-CB 4.19Å; L56-A61 HydrophobicContact CD2-CB 4.04Å; L56-A61 HydrophobicContact CG-CB 4.08Å; S57-A61 PolarHBondContact O-N 2.9Å; L58-A61 PolarHBondContact O-N 3.48Å; S59-A61 VanDerWaalsContact C-N 3.28Å; S59-A61 PolarHBondContact O-N 2.91Å; A61-A64 PolarHBondContact O-N 3.39Å; A61-L65 WeakPolarHBondContact O-CB 3.33Å; A61-L65 WeakPolarHBondContact O-CD1 3.5Å; A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 3.17Å; A61-I135 HydrophobicContact CB-CG2 4.46Å; A61-I136 HydrophobicContact CB-CD1 3.55Å
62C97.8Very high96.6Very high29 Ų2945.5 Ų45.520%0.19624%0.24CC..Hα-helixtrans-59.8-47.2174.5-69.30000111.9L58 S59 A64 L65 D66 Y149L58-C62 WeakPolarHBondContact O-CB 3.43Å; L58-C62 PolarHBondContact O-N 3.21Å; L58-C62 PolarHBondContact O-SG 2.94Å; S59-C62 WeakPolarHBondContact O-CB 3.31Å; S59-C62 PolarHBondContact O-N 3.14Å; S59-C62 VanDerWaalsContact O-N 3.07Å; C62-A64 VanDerWaalsContact C-N 3.3Å; C62-A64 PolarHBondContact O-N 3.04Å; C62-L65 PolarHBondContact O-N 3.36Å; C62-L65 VanDerWaalsContact O-N 3.12Å; C62-D66 WeakPolarHBondContact O-CB 3.41Å; C62-D66 PolarHBondContact O-N 3.33Å; C62-Y149 WeakPolarHBondContact SG-CE2 3.35Å
63D97.4Very high96.5Very high56 Ų5645.8 Ų45.830%0.29924%0.24SC..Hα-helixtrans-55.7-45.6-179.3-59-27.7000110.8S59 Q67 R92S59-D63 PolarHBondContact O-N 2.9Å; D63-Q67 WeakPolarHBondContact O-CB 3.5Å; D63-Q67 WeakPolarHBondContact O-CG 3.45Å; D63-Q67 PolarHBondContact O-N 3.03Å; D63-R92 IonicContact OD2-CZ 3.78Å; D63-R92 IonicContact OD2-NH1 2.84Å; D63-R92 PolarHBondContact OD2-NH1 2.9Å; D63-R92 IonicContact OD2-NH2 3.64Å
64A97.4Very high96.3Very high4 Ų451.1 Ų51.13%0.03327%0.268CS..Hα-helixtrans-68.2-41.9176.300000112.8A60 A61 C62 D66 Q67 H68 T88 I89A60-A64 PolarHBondContact O-N 3.17Å; A61-A64 PolarHBondContact O-N 3.39Å; C62-A64 VanDerWaalsContact C-N 3.3Å; C62-A64 PolarHBondContact O-N 3.04Å; A64-D66 VanDerWaalsContact C-N 3.32Å; A64-D66 PolarHBondContact O-N 2.99Å; A64-Q67 PolarHBondContact O-N 3.47Å; A64-H68 PolarHBondContact O-CD2 2.86Å; A64-H68 VanDerWaalsContact O-CD2 3.28Å; A64-H68 PolarHBondContact O-N 3.47Å; A64-T88 HydrophobicContact CB-CG2 4.08Å; A64-I89 HydrophobicContact CB-CD1 4.31Å; A64-I89 HydrophobicContact CB-CG1 3.61Å
65L97.4Very high96.2Very high6 Ų655 Ų553%0.03129%0.285CS..Hα-helixtrans-62.5-38.6177.2-71.8163.9000112.1A61 C62 N69 L70 F131 K132 Y149A61-L65 WeakPolarHBondContact O-CB 3.33Å; A61-L65 WeakPolarHBondContact O-CD1 3.5Å; A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 3.17Å; C62-L65 PolarHBondContact O-N 3.36Å; C62-L65 VanDerWaalsContact O-N 3.12Å; L65-N69 PolarHBondContact O-N 2.85Å; L65-L70 HydrophobicContact CD2-CB 4.2Å; L65-L70 HydrophobicContact CD2-CD1 3.83Å; L65-L70 WeakPolarHBondContact O-CB 3.47Å; L65-L70 PolarHBondContact O-N 3.46Å; L65-F131 HydrophobicContact CD2-CD1 3.78Å; L65-F131 HydrophobicContact CD2-CE1 3.65Å; L65-K132 HydrophobicContact CD1-CG 3.99Å; L65-K132 HydrophobicContact CD2-CG 3.85Å; L65-Y149 WeakPolarHBondContact CD1-OH 3.2Å
66D96.3Very high96.1Very high85 Ų8557.2 Ų57.246%0.45530%0.302SS..Hα-helixtrans-73.1-39.6177-91.8-56.8000112.4C62 A64 H68 N69 K71C62-D66 WeakPolarHBondContact O-CB 3.41Å; C62-D66 PolarHBondContact O-N 3.33Å; A64-D66 VanDerWaalsContact C-N 3.32Å; A64-D66 PolarHBondContact O-N 2.99Å; D66-H68 PolarHBondContact O-N 3.43Å; D66-N69 WeakPolarHBondContact O-CA 3.44Å; D66-N69 PolarHBondContact O-N 2.84Å; D66-K71 WeakPolarHBondContact OD1-CE 3.43Å; D66-K71 IonicContact OD1-NZ 3.17Å; D66-K71 PolarHBondContact OD1-NZ 3.5Å
67Q97.4Very high96Very high124 Ų12457.2 Ų57.258%0.57930%0.302SS*.Hα-helixtrans-59.6-42.8173.7-76.9170.420.700112.2D63 A64 N69D63-Q67 WeakPolarHBondContact O-CB 3.5Å; D63-Q67 WeakPolarHBondContact O-CG 3.45Å; D63-Q67 PolarHBondContact O-N 3.03Å; A64-Q67 PolarHBondContact O-N 3.47Å; Q67-N69 PolarHBondContact O-N 3.32Å; Q67-N69 PolarHBondContact O-ND2 3.42Å
68H96.8Very high96Very high62 Ų6258.6 Ų58.629%0.28731%0.307SS..THydrogen-bonded Turntrans-81.48175.3-72-79.6000113.6A64 D66 L70 N84 C85 T88A64-H68 PolarHBondContact O-CD2 2.86Å; A64-H68 VanDerWaalsContact O-CD2 3.28Å; A64-H68 PolarHBondContact O-N 3.47Å; D66-H68 PolarHBondContact O-N 3.43Å; H68-L70 HydrophobicContact CB-CD1 3.79Å; H68-L70 HydrophobicContact CB-CD2 4.49Å; H68-L70 HydrophobicContact CB-CG 3.81Å; H68-L70 PolarHBondContact O-N 2.84Å; H68-N84 PolarHBondContact CE1-O 3.47Å; H68-N84 PolarHBondContact NE2-O 3.5Å; H68-C85 HydrophobicContact CB-CB 4.44Å; H68-T88 PolarHBondContact NE2-OG1 2.99Å
69N95.3Very high95.9Very high116 Ų11658.5 Ų58.562%0.6231%0.306SS*.THydrogen-bonded Turntrans56.929.1177.2-69.4-83.2000115.1L65 D66 Q67 K71L65-N69 PolarHBondContact O-N 2.85Å; D66-N69 WeakPolarHBondContact O-CA 3.44Å; D66-N69 PolarHBondContact O-N 2.84Å; Q67-N69 PolarHBondContact O-N 3.32Å; Q67-N69 PolarHBondContact O-ND2 3.42Å; N69-K71 PolarHBondContact O-N 2.94Å
70L93.6Very high95.9Very high11 Ų1160.2 Ų60.26%0.05831%0.309CS..  trans-79.362.4-173.2-58.1172.4000111.5L65 H68 M77 C85 V128 F131 K132L65-L70 HydrophobicContact CD2-CB 4.2Å; L65-L70 HydrophobicContact CD2-CD1 3.83Å; L65-L70 WeakPolarHBondContact O-CB 3.47Å; L65-L70 PolarHBondContact O-N 3.46Å; H68-L70 HydrophobicContact CB-CD1 3.79Å; H68-L70 HydrophobicContact CB-CD2 4.49Å; H68-L70 HydrophobicContact CB-CG 3.81Å; H68-L70 PolarHBondContact O-N 2.84Å; L70-M77 HydrophobicContact CD1-CE 3.37Å; L70-M77 HydrophobicContact CD1-SD 4.08Å; L70-M77 HydrophobicContact CD2-CE 3.76Å; L70-M77 HydrophobicContact CD2-CG 4.41Å; L70-M77 HydrophobicContact CD2-SD 3.93Å; L70-M77 HydrophobicContact CG-CE 4.22Å; L70-C85 HydrophobicContact CD1-CB 4.11Å; L70-V128 HydrophobicContact CB-CG1 4.01Å; L70-V128 HydrophobicContact CD2-CG2 4.27Å; L70-F131 HydrophobicContact CD1-CD1 4.43Å; L70-F131 HydrophobicContact CD1-CE1 4.26Å; L70-K132 WeakPolarHBondContact O-CE 3.36Å; L70-K132 PolarHBondContact O-NZ 2.98Å
71K89.8Confident95.9Very high116 Ų11664 Ų6450%0.50433%0.326SS..  trans-100.3-32.1-170.8-70.1168.7177.6162.30113.5D66 N69 N73D66-K71 WeakPolarHBondContact OD1-CE 3.43Å; D66-K71 IonicContact OD1-NZ 3.17Å; D66-K71 PolarHBondContact OD1-NZ 3.5Å; N69-K71 PolarHBondContact O-N 2.94Å; K71-N73 PolarHBondContact O-N 3.48Å
72Q93.3Very high95.9Very high121 Ų12164 Ų6457%0.56533%0.326SS*.  trans-87.2100.6179.5-63.5-64.5-5.600110.3D74 Q75 V128Q72-D74 VanDerWaalsContact C-N 3.33Å; Q72-D74 PolarHBondContact O-N 2.94Å; Q72-Q75 HydrophobicContact CB-CB 4.24Å; Q72-Q75 HydrophobicContact CB-CG 3.72Å; Q72-Q75 PolarHBondContact O-N 3.39Å; Q72-V128 WeakPolarHBondContact O-CB 3.39Å
73N95.6Very high95.9Very high21 Ų2164.3 Ų64.311%0.11233%0.325CS..THydrogen-bonded Turntrans-69.1-26.8-168.1-72.6-26.4000114.5K71 L129 K132 Q153K71-N73 PolarHBondContact O-N 3.48Å; N73-L129 HydrophobicContact CB-CB 4.13Å; N73-L129 HydrophobicContact CB-CD1 4.43Å; N73-L129 WeakPolarHBondContact O-CB 3.47Å; N73-L129 PolarHBondContact O-N 2.84Å; N73-K132 PolarHBondContact OD1-NZ 2.77Å; N73-Q153 WeakPolarHBondContact ND2-CA 3.44Å; N73-Q153 WeakPolarHBondContact ND2-CB 3.46Å; N73-Q153 PolarHBondContact ND2-O 2.89Å; N73-Q153 PolarHBondContact ND2-OE1 2.92Å
74D93.4Very high95.9Very high112 Ų11265 Ų6560%0.59933%0.329SS*.THydrogen-bonded Turntrans-82.6-11.8178-58.9-51.4000113.5Q72Q72-D74 VanDerWaalsContact C-N 3.33Å; Q72-D74 PolarHBondContact O-N 2.94Å
75Q94.8Very high96Very high117 Ų11764.8 Ų64.855%0.54733%0.327SS..SBendtrans-71.9143.3-179.4-75-176.4-16.500111.8Q72 R127 V128Q72-Q75 HydrophobicContact CB-CB 4.24Å; Q72-Q75 HydrophobicContact CB-CG 3.72Å; Q72-Q75 PolarHBondContact O-N 3.39Å; Q75-R127 WeakPolarHBondContact O-CA 3.36Å; Q75-V128 PolarHBondContact O-N 2.91Å
76P95.6Very high96Very high79 Ų7964.5 Ų64.551%0.51333%0.326SS..EExtended strand (participates in β ladder)trans-73.3143.6169.731.8-34000110.7R125 I126P76-R125 HydrophobicContact CB-CB 4.34Å; P76-I126 CarbonylContact C-O 3.53Å; P76-I126 WeakPolarHBondContact CA-O 3.43Å
77M96.3Very high96.1Very high1 Ų162.4 Ų62.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-121.6122.5-179.7-172.3178.9-179.800107.6L70 Q81 I82 C85 R125 I126 V128 F131L70-M77 HydrophobicContact CD1-CE 3.37Å; L70-M77 HydrophobicContact CD1-SD 4.08Å; L70-M77 HydrophobicContact CD2-CE 3.76Å; L70-M77 HydrophobicContact CD2-CG 4.41Å; L70-M77 HydrophobicContact CD2-SD 3.93Å; L70-M77 HydrophobicContact CG-CE 4.22Å; M77-Q81 HydrophobicContact CE-CB 4.07Å; M77-Q81 WeakPolarHBondContact CE-O 3.11Å; M77-Q81 HydrophobicContact CG-CB 3.64Å; M77-I82 HydrophobicContact CE-CG1 4.34Å; M77-I82 HydrophobicContact CG-CG1 4.08Å; M77-I82 HydrophobicContact SD-CG1 4.26Å; M77-C85 HydrophobicContact CE-CB 3.94Å; M77-R125 VanDerWaalsContact O-CA 3.32Å; M77-R125 WeakPolarHBondContact O-CA 3.47Å; M77-I126 WeakPolarHBondContact CB-O 3.49Å; M77-I126 PolarHBondContact N-O 3.25Å; M77-I126 PolarHBondContact O-N 3.39Å; M77-V128 HydrophobicContact CB-CG2 4.09Å; M77-V128 HydrophobicContact SD-CG2 4.35Å; M77-F131 HydrophobicContact CE-CD1 4.18Å; M77-F131 HydrophobicContact CE-CE1 4.19Å; M77-F131 HydrophobicContact CE-CG 4.41Å; M77-F131 HydrophobicContact CE-CZ 4.43Å; M77-F131 HydrophobicContact SD-CB 4.09Å; M77-F131 HydrophobicContact SD-CD1 4.01Å; M77-F131 HydrophobicContact SD-CD2 4.43Å; M77-F131 HydrophobicContact SD-CG 3.91Å
78D96.5Very high96.2Very high60 Ų6058.4 Ų58.432%0.32130%0.3SS..EExtended strand (participates in β ladder)trans-84.1168-177.47634.5000113.6L80 Q81 I82 G124 R125D78-L80 PolarHBondContact O-N 3.33Å; D78-L80 WeakPolarHBondContact OD1-CA 3.32Å; D78-L80 WeakPolarHBondContact OD1-CB 3.28Å; D78-L80 PolarHBondContact OD1-N 2.84Å; D78-Q81 PolarHBondContact O-N 2.93Å; D78-Q81 VanDerWaalsContact O-N 3.11Å; D78-Q81 PolarHBondContact OD1-N 3.07Å; D78-I82 VanDerWaalsContact O-CG1 3.28Å; D78-I82 WeakPolarHBondContact O-CG1 3.31Å; D78-I82 PolarHBondContact O-N 3.24Å; D78-G124 WeakPolarHBondContact CA-O 3.36Å; D78-R125 HydrophobicContact CB-CG 4.29Å
79I96.3Very high96.2Very high33 Ų3355.7 Ų55.717%0.16929%0.288CS..Hα-helixtrans-51.9-37.1179.3-70.6168.7000113.1I82 I83 L111 L115 G124I79-I82 PolarHBondContact O-N 3.02Å; I79-I83 HydrophobicContact CG2-CD1 3.7Å; I79-I83 HydrophobicContact CG2-CG1 4.37Å; I79-I83 WeakPolarHBondContact O-CB 3.27Å; I79-I83 VanDerWaalsContact O-CG1 3.24Å; I79-I83 WeakPolarHBondContact O-CG1 3.4Å; I79-I83 PolarHBondContact O-N 3.3Å; I79-L111 HydrophobicContact CG2-CD1 4.36Å; I79-L111 HydrophobicContact CG2-CD2 4.17Å; I79-L115 HydrophobicContact CD1-CD1 4.46Å; I79-L115 HydrophobicContact CG1-CD1 4.45Å; I79-L115 HydrophobicContact CG1-CD2 4.5Å; I79-G124 PolarHBondContact N-O 3.37Å
80L96.8Very high96.4Very high108 Ų10850.1 Ų50.157%0.56526%0.258SS*.Hα-helixtrans-73.5-40.1-179.4178.759.8000110.9D78 I82 I83 N84D78-L80 PolarHBondContact O-N 3.33Å; D78-L80 WeakPolarHBondContact OD1-CA 3.32Å; D78-L80 WeakPolarHBondContact OD1-CB 3.28Å; D78-L80 PolarHBondContact OD1-N 2.84Å; L80-I82 VanDerWaalsContact C-N 3.34Å; L80-I83 PolarHBondContact O-N 2.76Å; L80-N84 WeakPolarHBondContact O-CB 3.21Å; L80-N84 PolarHBondContact O-N 2.86Å; L80-N84 PolarHBondContact O-ND2 3.02Å; L80-N84 PolarHBondContact O-OD1 2.9Å
81Q97.5Very high96.6Very high82 Ų8252.6 Ų52.638%0.38327%0.271SS..Hα-helixtrans-62-41.4172-63.3176.3-70.800111.7M77 D78 N84 C85M77-Q81 HydrophobicContact CE-CB 4.07Å; M77-Q81 WeakPolarHBondContact CE-O 3.11Å; M77-Q81 HydrophobicContact CG-CB 3.64Å; D78-Q81 PolarHBondContact O-N 2.93Å; D78-Q81 VanDerWaalsContact O-N 3.11Å; D78-Q81 PolarHBondContact OD1-N 3.07Å; Q81-N84 PolarHBondContact O-N 3.1Å; Q81-C85 WeakPolarHBondContact O-CB 3.41Å; Q81-C85 PolarHBondContact O-N 2.93Å
82I98.2Very high96.9Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-61.7-51.4175.7-60.8162.4000110M77 D78 I79 L80 N84 C85 L86 L111 L114 I126 F131M77-I82 HydrophobicContact CE-CG1 4.34Å; M77-I82 HydrophobicContact CG-CG1 4.08Å; M77-I82 HydrophobicContact SD-CG1 4.26Å; D78-I82 VanDerWaalsContact O-CG1 3.28Å; D78-I82 WeakPolarHBondContact O-CG1 3.31Å; D78-I82 PolarHBondContact O-N 3.24Å; I79-I82 PolarHBondContact O-N 3.02Å; L80-I82 VanDerWaalsContact C-N 3.34Å; I82-N84 PolarHBondContact O-N 2.9Å; I82-C85 PolarHBondContact O-N 2.99Å; I82-L86 HydrophobicContact CG2-CD1 3.76Å; I82-L86 HydrophobicContact CG2-CG 4.19Å; I82-L86 WeakPolarHBondContact O-CB 3.49Å; I82-L86 VanDerWaalsContact O-CG 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.42Å; I82-L86 PolarHBondContact O-N 3.21Å; I82-L111 HydrophobicContact CB-CD1 3.96Å; I82-L111 HydrophobicContact CD1-CD1 4.23Å; I82-L111 HydrophobicContact CG2-CD1 3.52Å; I82-L114 HydrophobicContact CG2-CD1 4.09Å; I82-I126 HydrophobicContact CD1-CD1 3.71Å; I82-I126 HydrophobicContact CD1-CG1 3.82Å; I82-I126 HydrophobicContact CG1-CD1 4.13Å; I82-I126 HydrophobicContact CG1-CG1 4.34Å; I82-F131 HydrophobicContact CG2-CD2 4.3Å; I82-F131 HydrophobicContact CG2-CE2 3.99Å
83I98.1Very high97Very high36 Ų3645.2 Ų45.219%0.18524%0.235CC..Hα-helixtrans-55.6-51.2177.4-74.4168.1000110.5I79 L80 C85 L86 T87 V107 L111I79-I83 HydrophobicContact CG2-CD1 3.7Å; I79-I83 HydrophobicContact CG2-CG1 4.37Å; I79-I83 WeakPolarHBondContact O-CB 3.27Å; I79-I83 VanDerWaalsContact O-CG1 3.24Å; I79-I83 WeakPolarHBondContact O-CG1 3.4Å; I79-I83 PolarHBondContact O-N 3.3Å; L80-I83 PolarHBondContact O-N 2.76Å; I83-C85 VanDerWaalsContact C-N 3.33Å; I83-C85 PolarHBondContact O-N 3.2Å; I83-L86 PolarHBondContact O-N 3.41Å; I83-T87 WeakPolarHBondContact O-CB 3.41Å; I83-T87 PolarHBondContact O-N 3.14Å; I83-T87 PolarHBondContact O-OG1 3.14Å; I83-V107 HydrophobicContact CB-CG1 4.48Å; I83-V107 HydrophobicContact CG1-CG1 4.29Å; I83-V107 HydrophobicContact CG2-CG1 4.17Å; I83-L111 HydrophobicContact CD1-CD2 3.99Å; I83-L111 HydrophobicContact CG1-CD2 3.89Å
84N98.1Very high97.1Very high70 Ų7048.2 Ų48.237%0.37425%0.248SC..Hα-helixtrans-59.8-41.4-177.6-69.1-13.9000112.5H68 L80 Q81 I82 T88H68-N84 PolarHBondContact CE1-O 3.47Å; H68-N84 PolarHBondContact NE2-O 3.5Å; L80-N84 WeakPolarHBondContact O-CB 3.21Å; L80-N84 PolarHBondContact O-N 2.86Å; L80-N84 PolarHBondContact O-ND2 3.02Å; L80-N84 PolarHBondContact O-OD1 2.9Å; Q81-N84 PolarHBondContact O-N 3.1Å; I82-N84 PolarHBondContact O-N 2.9Å; N84-T88 PolarHBondContact O-N 3.43Å; N84-T88 PolarHBondContact O-OG1 3.23Å
85C98.5Very high97.1Very high0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-70.7-40177.4-168.10000112.4H68 L70 M77 Q81 I82 I83 T88 I89 F131H68-C85 HydrophobicContact CB-CB 4.44Å; L70-C85 HydrophobicContact CD1-CB 4.11Å; M77-C85 HydrophobicContact CE-CB 3.94Å; Q81-C85 WeakPolarHBondContact O-CB 3.41Å; Q81-C85 PolarHBondContact O-N 2.93Å; I82-C85 PolarHBondContact O-N 2.99Å; I83-C85 VanDerWaalsContact C-N 3.33Å; I83-C85 PolarHBondContact O-N 3.2Å; C85-T88 PolarHBondContact O-N 3.39Å; C85-I89 WeakPolarHBondContact O-CG1 3.45Å; C85-I89 PolarHBondContact O-N 3.1Å; C85-I89 VanDerWaalsContact O-N 3.08Å; C85-F131 HydrophobicContact CB-CE1 4.26Å; C85-F131 HydrophobicContact CB-CZ 4.05Å
86L98.6Very high97Very high0 Ų048.3 Ų48.30%025%0.246CC..Hα-helixtrans-64.2-41.2174-70.4177.7000112.1I82 I83 I89 Y90 V107 C110 L111 L114 F131 I135I82-L86 HydrophobicContact CG2-CD1 3.76Å; I82-L86 HydrophobicContact CG2-CG 4.19Å; I82-L86 WeakPolarHBondContact O-CB 3.49Å; I82-L86 VanDerWaalsContact O-CG 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.42Å; I82-L86 PolarHBondContact O-N 3.21Å; I83-L86 PolarHBondContact O-N 3.41Å; L86-I89 WeakPolarHBondContact O-CB 3.37Å; L86-I89 PolarHBondContact O-N 3.29Å; L86-I89 VanDerWaalsContact O-N 3.16Å; L86-Y90 HydrophobicContact CB-CD2 4.29Å; L86-Y90 HydrophobicContact CB-CE2 4.24Å; L86-Y90 HydrophobicContact CD2-CE2 4.14Å; L86-Y90 WeakPolarHBondContact O-CD2 3.42Å; L86-Y90 PolarHBondContact O-N 3.13Å; L86-V107 HydrophobicContact CB-CG1 4.24Å; L86-V107 HydrophobicContact CB-CG2 4.13Å; L86-C110 HydrophobicContact CD1-CB 4.13Å; L86-C110 HydrophobicContact CD2-CB 4.25Å; L86-L111 HydrophobicContact CD1-CB 4.04Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å; L86-L114 HydrophobicContact CD2-CD1 4.29Å; L86-F131 HydrophobicContact CD2-CE2 4.03Å; L86-F131 HydrophobicContact CD2-CZ 4.18Å; L86-F131 HydrophobicContact CG-CE2 4.23Å; L86-F131 HydrophobicContact CG-CZ 4.47Å; L86-I135 HydrophobicContact CD2-CD1 3.9Å
87T98.3Very high96.8Very high42 Ų4247.1 Ų47.126%0.25823%0.233SC..Hα-helixtrans-59.6-49.6176.3-61.30000110.3I83 I89 Y90 D91 V103I83-T87 WeakPolarHBondContact O-CB 3.41Å; I83-T87 PolarHBondContact O-N 3.14Å; I83-T87 PolarHBondContact O-OG1 3.14Å; T87-I89 VanDerWaalsContact C-N 3.25Å; T87-I89 PolarHBondContact O-N 3.13Å; T87-Y90 PolarHBondContact O-N 3.3Å; T87-Y90 VanDerWaalsContact O-N 3.1Å; T87-D91 WeakPolarHBondContact CG2-OD2 3.45Å; T87-D91 WeakPolarHBondContact O-CB 2.74Å; T87-D91 PolarHBondContact O-N 3.28Å; T87-V103 HydrophobicContact CG2-CG1 4.41Å
88T98.3Very high96.2Very high39 Ų3952.7 Ų52.724%0.23926%0.263CS..Hα-helixtrans-57.9-34.8174.6-58.90000113.5A64 H68 N84 C85A64-T88 HydrophobicContact CB-CG2 4.08Å; H68-T88 PolarHBondContact NE2-OG1 2.99Å; N84-T88 PolarHBondContact O-N 3.43Å; N84-T88 PolarHBondContact O-OG1 3.23Å; C85-T88 PolarHBondContact O-N 3.39Å
89I98.4Very high95.6Very high5 Ų557.7 Ų57.73%0.02629%0.289CS..Hα-helixtrans-67.3-50.2173.7-73.5167.7000110.8L56 A64 C85 L86 T87 L93 I135L56-I89 HydrophobicContact CD1-CG2 3.91Å; L56-I89 HydrophobicContact CD2-CG2 3.92Å; A64-I89 HydrophobicContact CB-CD1 4.31Å; A64-I89 HydrophobicContact CB-CG1 3.61Å; C85-I89 WeakPolarHBondContact O-CG1 3.45Å; C85-I89 PolarHBondContact O-N 3.1Å; C85-I89 VanDerWaalsContact O-N 3.08Å; L86-I89 WeakPolarHBondContact O-CB 3.37Å; L86-I89 PolarHBondContact O-N 3.29Å; L86-I89 VanDerWaalsContact O-N 3.16Å; T87-I89 VanDerWaalsContact C-N 3.25Å; T87-I89 PolarHBondContact O-N 3.13Å; I89-L93 HydrophobicContact CG2-CD1 4.04Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.33Å; I89-L93 VanDerWaalsContact O-N 3.13Å; I89-I135 HydrophobicContact CD1-CG2 4.44Å
90Y98.3Very high95.2Very high0 Ų061.7 Ų61.70%031%0.311CS..Hα-helixtrans-78.3-32.5-173.4-69.4-60.4000113.9L51 C52 L53 L86 T87 R92 L93 E94 V101 C106 V107 C110L51-Y90 VanDerWaalsContact O-CE1 3.3Å; L51-Y90 WeakPolarHBondContact O-CE1 3.39Å; L51-Y90 PolarHBondContact O-OH 3.44Å; C52-Y90 HydrophobicContact CB-CE1 4.44Å; L53-Y90 WeakPolarHBondContact CD2-OH 3.31Å; L86-Y90 HydrophobicContact CB-CD2 4.29Å; L86-Y90 HydrophobicContact CB-CE2 4.24Å; L86-Y90 HydrophobicContact CD2-CE2 4.14Å; L86-Y90 WeakPolarHBondContact O-CD2 3.42Å; L86-Y90 PolarHBondContact O-N 3.13Å; T87-Y90 PolarHBondContact O-N 3.3Å; T87-Y90 VanDerWaalsContact O-N 3.1Å; Y90-R92 PolarHBondContact O-N 2.83Å; Y90-L93 HydrophobicContact CD1-CD1 3.94Å; Y90-L93 HydrophobicContact CE1-CD1 4.16Å; Y90-L93 CarbonylContact O-C 3.31Å; Y90-L93 PolarHBondContact O-N 2.95Å; Y90-L93 VanDerWaalsContact O-N 3.14Å; Y90-E94 WeakPolarHBondContact O-CB 3.45Å; Y90-E94 PolarHBondContact O-N 3.23Å; Y90-V101 HydrophobicContact CD1-CG1 4.15Å; Y90-C106 HydrophobicContact CD1-CB 3.61Å; Y90-C106 HydrophobicContact CD2-CB 3.85Å; Y90-C106 HydrophobicContact CE1-CB 3.72Å; Y90-C106 HydrophobicContact CE2-CB 3.93Å; Y90-C106 WeakPolarHBondContact CE2-O 3.3Å; Y90-C106 HydrophobicContact CG-CB 3.71Å; Y90-V107 HydrophobicContact CD2-CG2 3.75Å; Y90-C110 HydrophobicContact CE2-CB 3.94Å; Y90-C110 VanDerWaalsContact OH-CB 3.27Å; Y90-C110 WeakPolarHBondContact OH-CB 3.36Å; Y90-C110 PolarHBondContact OH-SG 3.44Å
91D97.1Very high95.1Very high62 Ų6257 Ų5733%0.33229%0.286SS..Hα-helixtrans-54.5-44.3170.4-71.2-25.9000110.7T87 E94 Q95T87-D91 WeakPolarHBondContact CG2-OD2 3.45Å; T87-D91 WeakPolarHBondContact O-CB 2.74Å; T87-D91 PolarHBondContact O-N 3.28Å; D91-E94 PolarHBondContact O-N 2.98Å; D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.5Å; D91-Q95 PolarHBondContact O-N 3.26Å; D91-Q95 VanDerWaalsContact O-N 3.15Å; D91-Q95 PolarHBondContact O-NE2 3.42Å
92R96.1Very high95Very high82 Ų8257.4 Ų57.431%0.30929%0.291SS..Hα-helixtrans-68.9-39.9177-179.9174.5175.5168.50.3112.1D63 Y90 E94 Q95 E96D63-R92 IonicContact OD2-CZ 3.78Å; D63-R92 IonicContact OD2-NH1 2.84Å; D63-R92 PolarHBondContact OD2-NH1 2.9Å; D63-R92 IonicContact OD2-NH2 3.64Å; Y90-R92 PolarHBondContact O-N 2.83Å; R92-E94 VanDerWaalsContact C-N 3.33Å; R92-Q95 PolarHBondContact O-N 3.24Å; R92-E96 WeakPolarHBondContact CG-OE1 3.35Å; R92-E96 IonicContact CZ-OE1 2.73Å; R92-E96 IonicContact NE-OE1 2.69Å; R92-E96 PolarHBondContact NE-OE1 2.83Å; R92-E96 IonicContact NH2-OE1 2.99Å; R92-E96 WeakPolarHBondContact O-CG 3.28Å; R92-E96 PolarHBondContact O-N 3.47Å
93L96.6Very high94.9Very high1 Ų158 Ų581%0.00530%0.295CS..Hα-helixtrans-68.9-31.2176.6-67.5175000112.6L55 L56 I89 Y90 E96 H97 V101L55-L93 HydrophobicContact CB-CD2 4.02Å; L55-L93 WeakPolarHBondContact O-CD2 3.42Å; L56-L93 HydrophobicContact CB-CD1 4.22Å; L56-L93 HydrophobicContact CD1-CD1 4.4Å; I89-L93 HydrophobicContact CG2-CD1 4.04Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.33Å; I89-L93 VanDerWaalsContact O-N 3.13Å; Y90-L93 HydrophobicContact CD1-CD1 3.94Å; Y90-L93 HydrophobicContact CE1-CD1 4.16Å; Y90-L93 CarbonylContact O-C 3.31Å; Y90-L93 PolarHBondContact O-N 2.95Å; Y90-L93 VanDerWaalsContact O-N 3.14Å; L93-E96 PolarHBondContact O-N 3.4Å; L93-H97 WeakPolarHBondContact O-CA 3.2Å; L93-H97 VanDerWaalsContact O-CB 3.29Å; L93-H97 WeakPolarHBondContact O-CB 3.3Å; L93-H97 PolarHBondContact O-N 3.43Å; L93-V101 HydrophobicContact CB-CG2 3.94Å
94E96.4Very high94.8Very high83 Ų8360.6 Ų60.639%0.38831%0.314SS..Hα-helixtrans-64.8-44.3171.4-171.4177.5-105.800110.9Y90 D91 R92 H97 N98 V101 V103Y90-E94 WeakPolarHBondContact O-CB 3.45Å; Y90-E94 PolarHBondContact O-N 3.23Å; D91-E94 PolarHBondContact O-N 2.98Å; R92-E94 VanDerWaalsContact C-N 3.33Å; E94-H97 CarbonylContact O-C 3.52Å; E94-H97 VanDerWaalsContact O-C 3.31Å; E94-H97 PolarHBondContact O-N 2.94Å; E94-N98 PolarHBondContact O-N 2.86Å; E94-N98 VanDerWaalsContact O-N 3.11Å; E94-N98 PolarHBondContact O-OD1 3.47Å; E94-V101 HydrophobicContact CB-CB 4.21Å; E94-V101 HydrophobicContact CB-CG1 4.37Å; E94-V103 HydrophobicContact CB-CG2 3.92Å; E94-V103 HydrophobicContact CG-CG2 4.43Å
95Q94.1Very high94.7Very high149 Ų14959 Ų5970%0.69631%0.306SS*.Hα-helixtrans-64.5-36.5175-67.8164.83700113.4D91 R92D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.5Å; D91-Q95 PolarHBondContact O-N 3.26Å; D91-Q95 VanDerWaalsContact O-N 3.15Å; D91-Q95 PolarHBondContact O-NE2 3.42Å; R92-Q95 PolarHBondContact O-N 3.24Å
96E93.4Very high94.6Very high83 Ų8359.4 Ų59.439%0.38831%0.308SS..Hα-helixtrans-77.5-25.1175.5-70.9179.7-156.700112.2R92 L93R92-E96 WeakPolarHBondContact CG-OE1 3.35Å; R92-E96 IonicContact CZ-OE1 2.73Å; R92-E96 IonicContact NE-OE1 2.69Å; R92-E96 PolarHBondContact NE-OE1 2.83Å; R92-E96 IonicContact NH2-OE1 2.99Å; R92-E96 WeakPolarHBondContact O-CG 3.28Å; R92-E96 PolarHBondContact O-N 3.47Å; L93-E96 PolarHBondContact O-N 3.4Å
97H91.6Very high94.6Very high53 Ų5359.7 Ų59.725%0.24531%0.309CS..SBendtrans-143.161.4-169.3-61-51.7000114.2L55 L93 E94 N99 L100L55-H97 HydrophobicContact CD1-CB 4.18Å; L93-H97 WeakPolarHBondContact O-CA 3.2Å; L93-H97 VanDerWaalsContact O-CB 3.29Å; L93-H97 WeakPolarHBondContact O-CB 3.3Å; L93-H97 PolarHBondContact O-N 3.43Å; E94-H97 CarbonylContact O-C 3.52Å; E94-H97 VanDerWaalsContact O-C 3.31Å; E94-H97 PolarHBondContact O-N 2.94Å; H97-N99 PolarHBondContact O-N 2.99Å; H97-L100 HydrophobicContact CB-CB 4.33Å; H97-L100 HydrophobicContact CB-CD1 4.32Å; H97-L100 PolarHBondContact O-N 3.3Å
98N82.7Confident94.5Very high119 Ų11959.9 Ų59.964%0.63631%0.309SS*.THydrogen-bonded Turntrans-37.6129.3176.2-67.2-10.2000114.2E94 L100E94-N98 PolarHBondContact O-N 2.86Å; E94-N98 VanDerWaalsContact O-N 3.11Å; E94-N98 PolarHBondContact O-OD1 3.47Å; N98-L100 PolarHBondContact O-N 3.43Å
99N84.4Confident94.5Very high164 Ų16458.6 Ų58.688%0.87730%0.3SS*.THydrogen-bonded Turntrans66.3-3179.8-46.5-72.1000117H97H97-N99 PolarHBondContact O-N 2.99Å
100L88.5Confident94.5Very high118 Ų11858.3 Ų58.362%0.61830%0.299SS*.THydrogen-bonded Turntrans-91.1-25.3174.4-65.6-179.2000113.3L55 H97 N98L55-L100 HydrophobicContact CD1-CB 4.47Å; H97-L100 HydrophobicContact CB-CB 4.33Å; H97-L100 HydrophobicContact CB-CD1 4.32Å; H97-L100 PolarHBondContact O-N 3.3Å; N98-L100 PolarHBondContact O-N 3.43Å
101V94.3Very high94.4Very high9 Ų958.6 Ų58.66%0.05530%0.301CS..  trans-107.1141.8-179.6-176.60000109.2C52 L55 Y90 L93 E94 V103C52-V101 HydrophobicContact CB-CG2 4.48Å; L55-V101 HydrophobicContact CD1-CG2 4.13Å; Y90-V101 HydrophobicContact CD1-CG1 4.15Å; L93-V101 HydrophobicContact CB-CG2 3.94Å; E94-V101 HydrophobicContact CB-CB 4.21Å; E94-V101 HydrophobicContact CB-CG1 4.37Å; V101-V103 HydrophobicContact CG1-CG2 4.33Å
102N95.2Very high94.4Very high90 Ų9056.3 Ų56.348%0.48129%0.288SS..  trans-123.197.8168.2179.5-78.9000107L105 C106N102-L105 HydrophobicContact CB-CB 4.19Å; N102-L105 PolarHBondContact O-N 3.41Å; N102-L105 VanDerWaalsContact O-N 3.13Å; N102-L105 WeakPolarHBondContact OD1-CB 3.31Å; N102-L105 PolarHBondContact OD1-N 3.38Å; N102-C106 WeakPolarHBondContact O-CB 3.29Å; N102-C106 PolarHBondContact O-N 2.96Å; N102-C106 PolarHBondContact O-SG 3.14Å; N102-C106 VanDerWaalsContact O-SG 3.32Å
103V95.8Very high94.5Very high12 Ų1252.4 Ų52.47%0.07327%0.274CS..Hα-helixtrans-51.7-51.1-166.3178.10000113.3T87 E94 V101 L105 C106 V107T87-V103 HydrophobicContact CG2-CG1 4.41Å; E94-V103 HydrophobicContact CB-CG2 3.92Å; E94-V103 HydrophobicContact CG-CG2 4.43Å; V101-V103 HydrophobicContact CG1-CG2 4.33Å; V103-L105 VanDerWaalsContact C-N 3.35Å; V103-L105 PolarHBondContact O-N 3.31Å; V103-C106 PolarHBondContact O-N 2.86Å; V103-V107 HydrophobicContact CG1-CG2 4.13Å; V103-V107 WeakPolarHBondContact O-CB 3.47Å; V103-V107 VanDerWaalsContact O-CG2 3.24Å; V103-V107 WeakPolarHBondContact O-CG2 3.35Å; V103-V107 PolarHBondContact O-N 3.04Å
104P96.3Very high94.6Very high91 Ų9152.4 Ų52.459%0.59127%0.273SS*.Hα-helixtrans-60.3-41.8-178.8-23.635.1000113.3D108P104-D108 PolarHBondContact O-N 3.19Å; P104-D108 VanDerWaalsContact O-N 3.09Å
105L95.3Very high94.6Very high38 Ų3849.2 Ų49.220%0.19926%0.259CS..Hα-helixtrans-69.4-42.9179.2179.463.8000112H17 K19 N102 V103 D108 M109H17-L105 WeakPolarHBondContact CE1-CD1 3.39Å; K19-L105 HydrophobicContact CD-CD1 4.11Å; K19-L105 HydrophobicContact CD-CD2 4.03Å; N102-L105 HydrophobicContact CB-CB 4.19Å; N102-L105 PolarHBondContact O-N 3.41Å; N102-L105 VanDerWaalsContact O-N 3.13Å; N102-L105 WeakPolarHBondContact OD1-CB 3.31Å; N102-L105 PolarHBondContact OD1-N 3.38Å; V103-L105 VanDerWaalsContact C-N 3.35Å; V103-L105 PolarHBondContact O-N 3.31Å; L105-D108 PolarHBondContact O-N 2.81Å; L105-M109 HydrophobicContact CD1-CG 3.88Å; L105-M109 HydrophobicContact CD1-SD 3.65Å; L105-M109 HydrophobicContact CD2-SD 4.34Å; L105-M109 HydrophobicContact CG-CG 4.32Å; L105-M109 HydrophobicContact CG-SD 3.81Å; L105-M109 WeakPolarHBondContact O-CB 3.46Å; L105-M109 WeakPolarHBondContact O-CG 3.45Å; L105-M109 PolarHBondContact O-N 3.28Å
106C97.2Very high94.7Very high7 Ų743 Ų435%0.04723%0.23CC..Hα-helixtrans-66-39.7179.4-66.60000111.5Y90 N102 V103 C110Y90-C106 HydrophobicContact CD1-CB 3.61Å; Y90-C106 HydrophobicContact CD2-CB 3.85Å; Y90-C106 HydrophobicContact CE1-CB 3.72Å; Y90-C106 HydrophobicContact CE2-CB 3.93Å; Y90-C106 WeakPolarHBondContact CE2-O 3.3Å; Y90-C106 HydrophobicContact CG-CB 3.71Å; N102-C106 WeakPolarHBondContact O-CB 3.29Å; N102-C106 PolarHBondContact O-N 2.96Å; N102-C106 PolarHBondContact O-SG 3.14Å; N102-C106 VanDerWaalsContact O-SG 3.32Å; V103-C106 PolarHBondContact O-N 2.86Å; C106-C110 WeakPolarHBondContact O-CB 3.46Å; C106-C110 PolarHBondContact O-N 3.15Å
107V98.1Very high95Very high6 Ų639.2 Ų39.24%0.03621%0.213CC..Hα-helixtrans-59.7-51.7171.9171.40000110.7I83 L86 Y90 V103 C110 L111I83-V107 HydrophobicContact CB-CG1 4.48Å; I83-V107 HydrophobicContact CG1-CG1 4.29Å; I83-V107 HydrophobicContact CG2-CG1 4.17Å; L86-V107 HydrophobicContact CB-CG1 4.24Å; L86-V107 HydrophobicContact CB-CG2 4.13Å; Y90-V107 HydrophobicContact CD2-CG2 3.75Å; V103-V107 HydrophobicContact CG1-CG2 4.13Å; V103-V107 WeakPolarHBondContact O-CB 3.47Å; V103-V107 VanDerWaalsContact O-CG2 3.24Å; V103-V107 WeakPolarHBondContact O-CG2 3.35Å; V103-V107 PolarHBondContact O-N 3.04Å; V107-C110 PolarHBondContact O-N 3.36Å; V107-L111 VanDerWaalsContact O-CB 3.22Å; V107-L111 WeakPolarHBondContact O-CB 3.4Å; V107-L111 PolarHBondContact O-N 3.02Å
108D96.6Very high95.3Very high47 Ų4738.4 Ų38.425%0.25121%0.208SC..Hα-helixtrans-68.9-40-175.9-832.7000113.3R2 P104 L105 N112R2-D108 IonicContact CZ-OD1 3.73Å; R2-D108 IonicContact CZ-OD2 3.99Å; R2-D108 IonicContact NH1-OD1 2.81Å; R2-D108 PolarHBondContact NH1-OD1 3.46Å; R2-D108 IonicContact NH1-OD2 3.81Å; R2-D108 IonicContact NH2-OD1 2.75Å; R2-D108 PolarHBondContact NH2-OD1 3.37Å; R2-D108 IonicContact NH2-OD2 3.92Å; R2-D108 PolarHBondContact NH2-OD2 3.24Å; P104-D108 PolarHBondContact O-N 3.19Å; P104-D108 VanDerWaalsContact O-N 3.09Å; L105-D108 PolarHBondContact O-N 2.81Å; D108-N112 VanDerWaalsContact O-CB 3.32Å; D108-N112 WeakPolarHBondContact O-CB 3.48Å; D108-N112 PolarHBondContact O-N 3.34Å
109M97.5Very high95.9Very high11 Ų1133 Ų335%0.05418%0.18CC..Hα-helixtrans-66.7-41175.1-72.1-175.862.500111.9K19 M20 L23 A50 L51 L105 N112 W113K19-M109 HydrophobicContact CB-CE 4.07Å; K19-M109 HydrophobicContact CB-SD 3.82Å; K19-M109 HydrophobicContact CD-SD 4.41Å; M20-M109 HydrophobicContact CG-CB 4.09Å; M20-M109 HydrophobicContact CG-CE 4.22Å; M20-M109 HydrophobicContact CG-CG 3.97Å; M20-M109 HydrophobicContact SD-CB 3.73Å; M20-M109 HydrophobicContact SD-CE 3.51Å; M20-M109 VanDerWaalsContact SD-CE 3.51Å; M20-M109 HydrophobicContact SD-CG 4.05Å; L23-M109 HydrophobicContact CD2-CE 4.3Å; A50-M109 HydrophobicContact CB-CE 4.36Å; L51-M109 HydrophobicContact CD2-CB 3.64Å; L105-M109 HydrophobicContact CD1-CG 3.88Å; L105-M109 HydrophobicContact CD1-SD 3.65Å; L105-M109 HydrophobicContact CD2-SD 4.34Å; L105-M109 HydrophobicContact CG-CG 4.32Å; L105-M109 HydrophobicContact CG-SD 3.81Å; L105-M109 WeakPolarHBondContact O-CB 3.46Å; L105-M109 WeakPolarHBondContact O-CG 3.45Å; L105-M109 PolarHBondContact O-N 3.28Å; M109-N112 PolarHBondContact O-N 3.46Å; M109-W113 PolarHBondContact O-N 3.12Å
110C98.3Very high96.2Very high0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-73.6-38.6-179.6-1680000112.2L51 L86 Y90 C106 V107 W113 L114L51-C110 HydrophobicContact CD2-CB 4.16Å; L86-C110 HydrophobicContact CD1-CB 4.13Å; L86-C110 HydrophobicContact CD2-CB 4.25Å; Y90-C110 HydrophobicContact CE2-CB 3.94Å; Y90-C110 VanDerWaalsContact OH-CB 3.27Å; Y90-C110 WeakPolarHBondContact OH-CB 3.36Å; Y90-C110 PolarHBondContact OH-SG 3.44Å; C106-C110 WeakPolarHBondContact O-CB 3.46Å; C106-C110 PolarHBondContact O-N 3.15Å; V107-C110 PolarHBondContact O-N 3.36Å; C110-W113 PolarHBondContact O-N 3.04Å; C110-L114 WeakPolarHBondContact O-CB 3.42Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.4Å; C110-L114 PolarHBondContact O-N 2.93Å
111L97.9Very high96.3Very high6 Ų627 Ų273%0.03117%0.166CC..Hα-helixtrans-57.1-51.1169.1173.670.6000110.6R2 I79 I82 I83 L86 V107 W113 L114 L115R2-L111 VanDerWaalsContact NH1-CD2 3.3Å; I79-L111 HydrophobicContact CG2-CD1 4.36Å; I79-L111 HydrophobicContact CG2-CD2 4.17Å; I82-L111 HydrophobicContact CB-CD1 3.96Å; I82-L111 HydrophobicContact CD1-CD1 4.23Å; I82-L111 HydrophobicContact CG2-CD1 3.52Å; I83-L111 HydrophobicContact CD1-CD2 3.99Å; I83-L111 HydrophobicContact CG1-CD2 3.89Å; L86-L111 HydrophobicContact CD1-CB 4.04Å; V107-L111 VanDerWaalsContact O-CB 3.22Å; V107-L111 WeakPolarHBondContact O-CB 3.4Å; V107-L111 PolarHBondContact O-N 3.02Å; L111-W113 VanDerWaalsContact C-N 3.32Å; L111-W113 PolarHBondContact O-N 3.46Å; L111-L114 PolarHBondContact O-N 3.02Å; L111-L115 HydrophobicContact CD1-CD1 4Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 HydrophobicContact CG-CD1 3.99Å; L111-L115 HydrophobicContact CG-CG 4.46Å; L111-L115 WeakPolarHBondContact O-CG 3.34Å; L111-L115 PolarHBondContact O-N 3.38Å
112N96.6Very high96.1Very high14 Ų1429.9 Ų29.98%0.07518%0.176CC..Hα-helixtrans-61.4-41-179.4-174.954.5000111.7W15 D16 M20 D108 M109 L115 N116W15-N112 PolarHBondContact O-OD1 3.03Å; D16-N112 PolarHBondContact OD1-ND2 3.39Å; M20-N112 WeakPolarHBondContact CB-ND2 3.25Å; M20-N112 HydrophobicContact CG-CB 4.38Å; D108-N112 VanDerWaalsContact O-CB 3.32Å; D108-N112 WeakPolarHBondContact O-CB 3.48Å; D108-N112 PolarHBondContact O-N 3.34Å; M109-N112 PolarHBondContact O-N 3.46Å; N112-L115 PolarHBondContact O-N 3.31Å; N112-N116 WeakPolarHBondContact O-CB 3.49Å; N112-N116 VanDerWaalsContact O-CG 3.26Å; N112-N116 PolarHBondContact O-N 3.43Å; N112-N116 PolarHBondContact O-OD1 2.98Å
113W98.3Very high96.1Very high0 Ų030.4 Ų30.40%018%0.183CC..Hα-helixtrans-59.2-49.2172172.959.5000112.6M20 L47 L51 L53 M109 C110 L111 L115 N116 V117 L138 I176M20-W113 HydrophobicContact CE-CB 3.89Å; L47-W113 HydrophobicContact CD1-CG 4.4Å; L47-W113 HydrophobicContact CD2-CD2 4.49Å; L47-W113 HydrophobicContact CD2-CG 4.38Å; L51-W113 HydrophobicContact CD1-CB 3.99Å; L51-W113 HydrophobicContact CD1-CD2 3.82Å; L51-W113 HydrophobicContact CD1-CE3 3.68Å; L51-W113 HydrophobicContact CD1-CG 3.94Å; L51-W113 HydrophobicContact CD1-CZ3 4.48Å; L53-W113 HydrophobicContact CD1-CZ3 4.17Å; M109-W113 PolarHBondContact O-N 3.12Å; C110-W113 PolarHBondContact O-N 3.04Å; L111-W113 VanDerWaalsContact C-N 3.32Å; L111-W113 PolarHBondContact O-N 3.46Å; W113-L115 VanDerWaalsContact C-N 3.31Å; W113-L115 PolarHBondContact O-N 3.3Å; W113-N116 WeakPolarHBondContact O-CB 3.01Å; W113-N116 PolarHBondContact O-N 3.38Å; W113-N116 VanDerWaalsContact O-N 3.1Å; W113-V117 HydrophobicContact CD2-CG2 4.45Å; W113-V117 HydrophobicContact CG-CG2 4.5Å; W113-V117 HydrophobicContact CZ2-CG2 4.15Å; W113-V117 VanDerWaalsContact NE1-CG2 3.25Å; W113-V117 WeakPolarHBondContact O-CG2 3.46Å; W113-V117 PolarHBondContact O-N 3.13Å; W113-L138 HydrophobicContact CH2-CD1 3.4Å; W113-L138 VanDerWaalsContact CH2-CD1 3.4Å; W113-L138 HydrophobicContact CH2-CG 3.89Å; W113-L138 HydrophobicContact CZ2-CD1 3.54Å; W113-L138 HydrophobicContact CZ2-CG 4.27Å; W113-L138 HydrophobicContact CZ3-CD1 3.97Å; W113-I176 HydrophobicContact CZ2-CG1 4.42Å
114L98.3Very high95.8Very high0 Ų030.6 Ų30.60%019%0.187CC..Hα-helixtrans-60.6-39.3179.4-74.3163.2000112.4I82 L86 C110 L111 V117 Y118 I126 F131 I135I82-L114 HydrophobicContact CG2-CD1 4.09Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å; L86-L114 HydrophobicContact CD2-CD1 4.29Å; C110-L114 WeakPolarHBondContact O-CB 3.42Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.4Å; C110-L114 PolarHBondContact O-N 2.93Å; L111-L114 PolarHBondContact O-N 3.02Å; L114-V117 PolarHBondContact O-N 3.3Å; L114-Y118 HydrophobicContact CD2-CD2 4.23Å; L114-Y118 HydrophobicContact CD2-CE2 4.13Å; L114-Y118 PolarHBondContact O-N 3.35Å; L114-I126 HydrophobicContact CB-CD1 4.44Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.61Å; L114-F131 HydrophobicContact CD2-CD2 4.35Å; L114-I135 HydrophobicContact CD1-CD1 4.33Å
115L97.1Very high95.7Very high17 Ų1733.6 Ų33.69%0.08919%0.186CC..Hα-helixtrans-70-35.5174.5-62.6175000111.8I79 L111 N112 W113 V117 D119 T120 R122 I126I79-L115 HydrophobicContact CD1-CD1 4.46Å; I79-L115 HydrophobicContact CG1-CD1 4.45Å; I79-L115 HydrophobicContact CG1-CD2 4.5Å; L111-L115 HydrophobicContact CD1-CD1 4Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 HydrophobicContact CG-CD1 3.99Å; L111-L115 HydrophobicContact CG-CG 4.46Å; L111-L115 WeakPolarHBondContact O-CG 3.34Å; L111-L115 PolarHBondContact O-N 3.38Å; N112-L115 PolarHBondContact O-N 3.31Å; W113-L115 VanDerWaalsContact C-N 3.31Å; W113-L115 PolarHBondContact O-N 3.3Å; L115-V117 VanDerWaalsContact C-N 3.3Å; L115-V117 PolarHBondContact O-N 3.36Å; L115-D119 HydrophobicContact CB-CB 4.41Å; L115-D119 HydrophobicContact CD2-CB 3.74Å; L115-D119 CarbonylContact O-C 3.44Å; L115-D119 WeakPolarHBondContact O-CA 3.35Å; L115-D119 PolarHBondContact O-N 3.46Å; L115-D119 VanDerWaalsContact O-O 3.13Å; L115-T120 PolarHBondContact O-N 3.22Å; L115-R122 PolarHBondContact O-NH1 3.4Å; L115-R122 VanDerWaalsContact O-NH1 3.08Å; L115-I126 HydrophobicContact CD2-CG2 4.37Å
116N96.5Very high95.8Very high17 Ų1732.1 Ų32.19%0.09118%0.179CC..Hα-helixtrans-65.9-30.4173-75.4-2000113.3D16 N112 W113 R122 Q179D16-N116 PolarHBondContact OD1-ND2 3.29Å; N112-N116 WeakPolarHBondContact O-CB 3.49Å; N112-N116 VanDerWaalsContact O-CG 3.26Å; N112-N116 PolarHBondContact O-N 3.43Å; N112-N116 PolarHBondContact O-OD1 2.98Å; W113-N116 WeakPolarHBondContact O-CB 3.01Å; W113-N116 PolarHBondContact O-N 3.38Å; W113-N116 VanDerWaalsContact O-N 3.1Å; N116-R122 PolarHBondContact OD1-NH1 3.17Å; N116-R122 PolarHBondContact OD1-NH2 3.41Å; N116-Q179 HydrophobicContact CB-CG 3.89Å; N116-Q179 WeakPolarHBondContact O-CG 3.4Å
117V97.8Very high95.9Very high5 Ų535.3 Ų35.33%0.0319%0.19CC..Hα-helixtrans-83.9-41177.7-179.90000112W113 L114 L115 Q175 I176 Q179W113-V117 HydrophobicContact CD2-CG2 4.45Å; W113-V117 HydrophobicContact CG-CG2 4.5Å; W113-V117 HydrophobicContact CZ2-CG2 4.15Å; W113-V117 VanDerWaalsContact NE1-CG2 3.25Å; W113-V117 WeakPolarHBondContact O-CG2 3.46Å; W113-V117 PolarHBondContact O-N 3.13Å; L114-V117 PolarHBondContact O-N 3.3Å; L115-V117 VanDerWaalsContact C-N 3.3Å; L115-V117 PolarHBondContact O-N 3.36Å; V117-Q175 HydrophobicContact CG1-CB 3.51Å; V117-I176 HydrophobicContact CG1-CG1 4.08Å; V117-Q179 HydrophobicContact CG2-CB 3.85Å; V117-Q179 HydrophobicContact CG2-CG 3.85Å
118Y98Very high95.9Very high35 Ų3535.3 Ų35.314%0.13719%0.19CC..Hα-helixtrans-125.2-6.5-165.1-57-66.3000116.2L114 S130 G134 D172 Q175L114-Y118 HydrophobicContact CD2-CD2 4.23Å; L114-Y118 HydrophobicContact CD2-CE2 4.13Å; L114-Y118 PolarHBondContact O-N 3.35Å; Y118-S130 WeakPolarHBondContact CE2-O 3.29Å; Y118-S130 VanDerWaalsContact CZ-O 3.29Å; Y118-S130 PolarHBondContact OH-O 3.1Å; Y118-G134 PolarHBondContact OH-N 3.03Å; Y118-D172 HydrophobicContact CE1-CB 4.17Å; Y118-D172 WeakPolarHBondContact CE1-O 3.35Å; Y118-D172 PolarHBondContact OH-O 2.95Å; Y118-Q175 HydrophobicContact CD1-CB 4.14Å; Y118-Q175 HydrophobicContact CD1-CG 4.12Å; Y118-Q175 HydrophobicContact CE1-CB 3.92Å; Y118-Q175 HydrophobicContact CE1-CG 4.07Å
119D96.4Very high95.9Very high7 Ų733.1 Ų33.14%0.03718%0.178CC..  trans-137.858.2176.6-173.832.1000110.8L115 G121 R122 T123 G124 I126L115-D119 HydrophobicContact CB-CB 4.41Å; L115-D119 HydrophobicContact CD2-CB 3.74Å; L115-D119 CarbonylContact O-C 3.44Å; L115-D119 WeakPolarHBondContact O-CA 3.35Å; L115-D119 PolarHBondContact O-N 3.46Å; L115-D119 VanDerWaalsContact O-O 3.13Å; D119-G121 PolarHBondContact O-N 3.49Å; D119-R122 PolarHBondContact O-N 2.88Å; D119-R122 VanDerWaalsContact O-N 3.07Å; D119-R122 PolarHBondContact O-NH1 3Å; D119-R122 PolarHBondContact OD1-N 2.94Å; D119-R122 WeakPolarHBondContact OD2-CA 3.35Å; D119-T123 VanDerWaalsContact CG-N 3.35Å; D119-T123 WeakPolarHBondContact OD1-CB 3.47Å; D119-T123 PolarHBondContact OD1-N 3.27Å; D119-T123 PolarHBondContact OD1-OG1 3.03Å; D119-T123 PolarHBondContact OD2-N 3.45Å; D119-T123 VanDerWaalsContact OD2-N 3.13Å; D119-G124 WeakPolarHBondContact OD2-CA 3.11Å; D119-G124 PolarHBondContact OD2-N 3.13Å; D119-I126 HydrophobicContact CB-CG2 3.87Å
120T90.6Very high96Very high94 Ų9432.8 Ų32.858%0.57718%0.176SC*.THydrogen-bonded Turntrans-60.4-33.5176.751.90000112L115 R122L115-T120 PolarHBondContact O-N 3.22Å; T120-R122 VanDerWaalsContact C-N 3.25Å; T120-R122 PolarHBondContact O-N 3.04Å
121G90Very high96Very high62 Ų6232.8 Ų32.864%0.63918%0.176SC*.THydrogen-bonded Turntrans-75.8-1174.800000115.5D119 T123D119-G121 PolarHBondContact O-N 3.49Å; G121-T123 PolarHBondContact O-N 2.78Å
122R91.4Very high96Very high68 Ų6832.9 Ų32.926%0.25718%0.177SC..  trans5435.7178.3-56.3-58.6-171.5-1266.5114.5W15 L115 N116 D119 T120 G124W15-R122 HydrophobicContact CD2-CG 4.37Å; W15-R122 HydrophobicContact CZ2-CG 4.43Å; L115-R122 PolarHBondContact O-NH1 3.4Å; L115-R122 VanDerWaalsContact O-NH1 3.08Å; N116-R122 PolarHBondContact OD1-NH1 3.17Å; N116-R122 PolarHBondContact OD1-NH2 3.41Å; D119-R122 PolarHBondContact O-N 2.88Å; D119-R122 VanDerWaalsContact O-N 3.07Å; D119-R122 PolarHBondContact O-NH1 3Å; D119-R122 PolarHBondContact OD1-N 2.94Å; D119-R122 WeakPolarHBondContact OD2-CA 3.35Å; T120-R122 VanDerWaalsContact C-N 3.25Å; T120-R122 PolarHBondContact O-N 3.04Å; R122-G124 PolarHBondContact O-N 2.85Å
123T93.6Very high96.1Very high102 Ų10232.2 Ų32.263%0.62617%0.173SC*.  trans-63.5-20.3174.468.30000112.8D119 G121 R125D119-T123 VanDerWaalsContact CG-N 3.35Å; D119-T123 WeakPolarHBondContact OD1-CB 3.47Å; D119-T123 PolarHBondContact OD1-N 3.27Å; D119-T123 PolarHBondContact OD1-OG1 3.03Å; D119-T123 PolarHBondContact OD2-N 3.45Å; D119-T123 VanDerWaalsContact OD2-N 3.13Å; G121-T123 PolarHBondContact O-N 2.78Å; T123-R125 PolarHBondContact OG1-N 3.47Å; T123-R125 PolarHBondContact OG1-O 3.36Å
124G90.2Very high96.1Very high15 Ų1532.2 Ų32.216%0.15517%0.173CC..SBendtrans80.419-17700000114D78 I79 D119 R122D78-G124 WeakPolarHBondContact CA-O 3.36Å; I79-G124 PolarHBondContact N-O 3.37Å; D119-G124 WeakPolarHBondContact OD2-CA 3.11Å; D119-G124 PolarHBondContact OD2-N 3.13Å; R122-G124 PolarHBondContact O-N 2.85Å
125R94.9Very high96.2Very high154 Ų15432.2 Ų32.258%0.58117%0.173SC*.EExtended strand (participates in β ladder)trans-143.8143.5-178.1-65.9178.1175.1166.2-0.8111.7P76 M77 D78 T123P76-R125 HydrophobicContact CB-CB 4.34Å; M77-R125 VanDerWaalsContact O-CA 3.32Å; M77-R125 WeakPolarHBondContact O-CA 3.47Å; D78-R125 HydrophobicContact CB-CG 4.29Å; T123-R125 PolarHBondContact OG1-N 3.47Å; T123-R125 PolarHBondContact OG1-O 3.36Å
126I97.4Very high96.2Very high7 Ų731.4 Ų31.44%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-131.6158.7170.166.6-176.9000109.6P76 M77 I82 L114 L115 D119 F131P76-I126 CarbonylContact C-O 3.53Å; P76-I126 WeakPolarHBondContact CA-O 3.43Å; M77-I126 WeakPolarHBondContact CB-O 3.49Å; M77-I126 PolarHBondContact N-O 3.25Å; M77-I126 PolarHBondContact O-N 3.39Å; I82-I126 HydrophobicContact CD1-CD1 3.71Å; I82-I126 HydrophobicContact CD1-CG1 3.82Å; I82-I126 HydrophobicContact CG1-CD1 4.13Å; I82-I126 HydrophobicContact CG1-CG1 4.34Å; L114-I126 HydrophobicContact CB-CD1 4.44Å; L115-I126 HydrophobicContact CD2-CG2 4.37Å; D119-I126 HydrophobicContact CB-CG2 3.87Å; I126-F131 HydrophobicContact CD1-CB 3.86Å; I126-F131 HydrophobicContact CD1-CD2 4.14Å; I126-F131 HydrophobicContact CD1-CG 4.49Å; I126-F131 HydrophobicContact CG1-CB 4.44Å
127R97.6Very high96.3Very high75 Ų7530.6 Ų30.628%0.28317%0.165SC..EExtended strand (participates in β ladder)trans-71.1147.4172-77178.2-73.6100.77.2110.9Q75 L129 S130 F131 D172Q75-R127 WeakPolarHBondContact O-CA 3.36Å; R127-L129 PolarHBondContact O-N 3.24Å; R127-S130 PolarHBondContact NH1-OG 3.22Å; R127-S130 WeakPolarHBondContact O-CA 3.31Å; R127-S130 WeakPolarHBondContact O-CB 3.25Å; R127-S130 PolarHBondContact O-N 3.19Å; R127-F131 PolarHBondContact O-N 2.69Å; R127-D172 IonicContact CZ-OD1 2.99Å; R127-D172 IonicContact CZ-OD2 2.76Å; R127-D172 IonicContact NH1-OD1 3.25Å; R127-D172 PolarHBondContact NH1-OD1 3.25Å; R127-D172 IonicContact NH1-OD2 3.47Å; R127-D172 PolarHBondContact NH1-OD2 3.41Å; R127-D172 IonicContact NH2-OD1 3.37Å; R127-D172 PolarHBondContact NH2-OD1 3.13Å; R127-D172 IonicContact NH2-OD2 3.42Å; R127-D172 PolarHBondContact NH2-OD2 3.24Å
128V98.3Very high96.4Very high5 Ų530.4 Ų30.43%0.0316%0.163CC..Hα-helixtrans-57.1-35.8172.8169.30000111.6L70 Q72 Q75 M77 S130 K132L70-V128 HydrophobicContact CB-CG1 4.01Å; L70-V128 HydrophobicContact CD2-CG2 4.27Å; Q72-V128 WeakPolarHBondContact O-CB 3.39Å; Q75-V128 PolarHBondContact O-N 2.91Å; M77-V128 HydrophobicContact CB-CG2 4.09Å; M77-V128 HydrophobicContact SD-CG2 4.35Å; V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 2.91Å; V128-K132 HydrophobicContact CG1-CD 4.22Å; V128-K132 WeakPolarHBondContact O-CG 3.44Å; V128-K132 PolarHBondContact O-N 3.3Å; V128-K132 VanDerWaalsContact O-N 3.07Å
129L98.4Very high96.4Very high2 Ų228.7 Ų28.71%0.0116%0.157CC..Hα-helixtrans-57-43.3171.9-174.862.1000112.1N73 R127 K132 T133 Q153 V154 L168N73-L129 HydrophobicContact CB-CB 4.13Å; N73-L129 HydrophobicContact CB-CD1 4.43Å; N73-L129 WeakPolarHBondContact O-CB 3.47Å; N73-L129 PolarHBondContact O-N 2.84Å; R127-L129 PolarHBondContact O-N 3.24Å; L129-K132 PolarHBondContact O-N 2.92Å; L129-T133 VanDerWaalsContact O-CB 3.32Å; L129-T133 WeakPolarHBondContact O-CB 3.42Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 3.41Å; L129-Q153 HydrophobicContact CD1-CB 3.59Å; L129-V154 HydrophobicContact CD1-CG1 3.86Å; L129-V154 HydrophobicContact CD2-CG1 3.86Å; L129-L168 HydrophobicContact CD2-CB 3.95Å
130S98.4Very high96.4Very high3 Ų333 Ų332%0.02118%0.175CC..Hα-helixtrans-71.6-43-176.1-45.50000111.4Y118 R127 V128 K132 T133 G134 D172Y118-S130 WeakPolarHBondContact CE2-O 3.29Å; Y118-S130 VanDerWaalsContact CZ-O 3.29Å; Y118-S130 PolarHBondContact OH-O 3.1Å; R127-S130 PolarHBondContact NH1-OG 3.22Å; R127-S130 WeakPolarHBondContact O-CA 3.31Å; R127-S130 WeakPolarHBondContact O-CB 3.25Å; R127-S130 PolarHBondContact O-N 3.19Å; V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 2.91Å; S130-K132 PolarHBondContact O-N 3.31Å; S130-T133 PolarHBondContact O-N 3.31Å; S130-T133 VanDerWaalsContact O-N 3.17Å; S130-G134 PolarHBondContact O-N 3.46Å; S130-D172 WeakPolarHBondContact CA-OD2 3.28Å; S130-D172 WeakPolarHBondContact CB-OD2 3.41Å; S130-D172 PolarHBondContact N-OD2 2.95Å; S130-D172 PolarHBondContact OG-OD2 3.28Å
131F98.6Very high96.6Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-54.5-51.4171.6-179.5-107.1000111.5L65 L70 M77 I82 C85 L86 L114 I126 R127 T133 G134 I135L65-F131 HydrophobicContact CD2-CD1 3.78Å; L65-F131 HydrophobicContact CD2-CE1 3.65Å; L70-F131 HydrophobicContact CD1-CD1 4.43Å; L70-F131 HydrophobicContact CD1-CE1 4.26Å; M77-F131 HydrophobicContact CE-CD1 4.18Å; M77-F131 HydrophobicContact CE-CE1 4.19Å; M77-F131 HydrophobicContact CE-CG 4.41Å; M77-F131 HydrophobicContact CE-CZ 4.43Å; M77-F131 HydrophobicContact SD-CB 4.09Å; M77-F131 HydrophobicContact SD-CD1 4.01Å; M77-F131 HydrophobicContact SD-CD2 4.43Å; M77-F131 HydrophobicContact SD-CG 3.91Å; I82-F131 HydrophobicContact CG2-CD2 4.3Å; I82-F131 HydrophobicContact CG2-CE2 3.99Å; C85-F131 HydrophobicContact CB-CE1 4.26Å; C85-F131 HydrophobicContact CB-CZ 4.05Å; L86-F131 HydrophobicContact CD2-CE2 4.03Å; L86-F131 HydrophobicContact CD2-CZ 4.18Å; L86-F131 HydrophobicContact CG-CE2 4.23Å; L86-F131 HydrophobicContact CG-CZ 4.47Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.61Å; L114-F131 HydrophobicContact CD2-CD2 4.35Å; I126-F131 HydrophobicContact CD1-CB 3.86Å; I126-F131 HydrophobicContact CD1-CD2 4.14Å; I126-F131 HydrophobicContact CD1-CG 4.49Å; I126-F131 HydrophobicContact CG1-CB 4.44Å; R127-F131 PolarHBondContact O-N 2.69Å; F131-T133 PolarHBondContact O-N 2.85Å; F131-G134 PolarHBondContact O-N 3.39Å; F131-I135 HydrophobicContact CD2-CG1 4.34Å; F131-I135 HydrophobicContact CE1-CG1 4.35Å; F131-I135 HydrophobicContact CE2-CD1 4.43Å; F131-I135 HydrophobicContact CE2-CG1 3.98Å; F131-I135 HydrophobicContact CZ-CG1 3.99Å; F131-I135 WeakPolarHBondContact O-CG1 3.35Å; F131-I135 PolarHBondContact O-N 2.88Å
132K98.6Very high96.8Very high8 Ų833 Ų334%0.03515%0.154CC..Hα-helixtrans-59.2-44.4174.9-73175.8176.1177.20112.3L65 L70 N73 V128 L129 S130 G134 I135 I136 Y149 Q153L65-K132 HydrophobicContact CD1-CG 3.99Å; L65-K132 HydrophobicContact CD2-CG 3.85Å; L70-K132 WeakPolarHBondContact O-CE 3.36Å; L70-K132 PolarHBondContact O-NZ 2.98Å; N73-K132 PolarHBondContact OD1-NZ 2.77Å; V128-K132 HydrophobicContact CG1-CD 4.22Å; V128-K132 WeakPolarHBondContact O-CG 3.44Å; V128-K132 PolarHBondContact O-N 3.3Å; V128-K132 VanDerWaalsContact O-N 3.07Å; L129-K132 PolarHBondContact O-N 2.92Å; S130-K132 PolarHBondContact O-N 3.31Å; K132-G134 VanDerWaalsContact C-N 3.34Å; K132-G134 PolarHBondContact O-N 2.72Å; K132-I135 PolarHBondContact O-N 3.26Å; K132-I136 VanDerWaalsContact O-CB 3.25Å; K132-I136 WeakPolarHBondContact O-CB 3.47Å; K132-I136 VanDerWaalsContact O-CG1 3.25Å; K132-I136 WeakPolarHBondContact O-CG1 3.32Å; K132-I136 PolarHBondContact O-N 3Å; K132-Y149 HydrophobicContact CB-CE1 4.42Å; K132-Y149 HydrophobicContact CD-CE1 4.4Å; K132-Q153 HydrophobicContact CD-CG 4.1Å
133T98.6Very high96.8Very high0 Ų031.9 Ų31.90%015%0.153CC..Hα-helixtrans-63.2-40.6-177.8-59.90000111.6L129 S130 F131 S137 L150 D172L129-T133 VanDerWaalsContact O-CB 3.32Å; L129-T133 WeakPolarHBondContact O-CB 3.42Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 3.41Å; S130-T133 PolarHBondContact O-N 3.31Å; S130-T133 VanDerWaalsContact O-N 3.17Å; F131-T133 PolarHBondContact O-N 2.85Å; T133-S137 WeakPolarHBondContact O-CB 3.37Å; T133-S137 PolarHBondContact O-N 3.21Å; T133-S137 PolarHBondContact O-OG 2.91Å; T133-L150 HydrophobicContact CG2-CD2 4.49Å; T133-D172 HydrophobicContact CG2-CB 4.02Å
134G98.4Very high96.9Very high0 Ų030.1 Ų30.10%014%0.137CC..Hα-helixtrans-62.1-61.5171.400000112.9Y118 S130 F131 K132 I136 S137 L138Y118-G134 PolarHBondContact OH-N 3.03Å; S130-G134 PolarHBondContact O-N 3.46Å; F131-G134 PolarHBondContact O-N 3.39Å; K132-G134 VanDerWaalsContact C-N 3.34Å; K132-G134 PolarHBondContact O-N 2.72Å; G134-I136 PolarHBondContact O-N 3Å; G134-S137 PolarHBondContact O-N 3.26Å; G134-L138 PolarHBondContact O-N 3.33Å
135I98.6Very high97.2Very high1 Ų132.5 Ų32.51%0.00515%0.147CC..Hα-helixtrans-60.7-44.6-173.4-64.6-63.9000112.1L53 L56 A61 L86 I89 L114 F131 K132 L138 C139L53-I135 HydrophobicContact CD1-CD1 4.48Å; L53-I135 HydrophobicContact CD2-CD1 4.21Å; L56-I135 HydrophobicContact CD2-CG2 3.59Å; A61-I135 HydrophobicContact CB-CG2 4.46Å; L86-I135 HydrophobicContact CD2-CD1 3.9Å; I89-I135 HydrophobicContact CD1-CG2 4.44Å; L114-I135 HydrophobicContact CD1-CD1 4.33Å; F131-I135 HydrophobicContact CD2-CG1 4.34Å; F131-I135 HydrophobicContact CE1-CG1 4.35Å; F131-I135 HydrophobicContact CE2-CD1 4.43Å; F131-I135 HydrophobicContact CE2-CG1 3.98Å; F131-I135 HydrophobicContact CZ-CG1 3.99Å; F131-I135 WeakPolarHBondContact O-CG1 3.35Å; F131-I135 PolarHBondContact O-N 2.88Å; K132-I135 PolarHBondContact O-N 3.26Å; I135-L138 PolarHBondContact O-N 3.26Å; I135-C139 PolarHBondContact O-N 2.86Å
136I98.6Very high97.4Very high0 Ų025.3 Ų25.30%012%0.119CC..Hα-helixtrans-76.7-30.8-176.7-56.7-59.8000112.1L58 A61 K132 G134 L138 C139 K146 Y149 L150L58-I136 HydrophobicContact CD1-CD1 3.81Å; L58-I136 HydrophobicContact CD1-CG2 4.17Å; A61-I136 HydrophobicContact CB-CD1 3.55Å; K132-I136 VanDerWaalsContact O-CB 3.25Å; K132-I136 WeakPolarHBondContact O-CB 3.47Å; K132-I136 VanDerWaalsContact O-CG1 3.25Å; K132-I136 WeakPolarHBondContact O-CG1 3.32Å; K132-I136 PolarHBondContact O-N 3Å; G134-I136 PolarHBondContact O-N 3Å; I136-L138 VanDerWaalsContact C-N 3.28Å; I136-L138 PolarHBondContact O-N 3.24Å; I136-C139 PolarHBondContact O-SG 3.25Å; I136-K146 HydrophobicContact CG2-CB 4.43Å; I136-K146 HydrophobicContact CG2-CG 4.25Å; I136-K146 VanDerWaalsContact O-CD 3.26Å; I136-K146 WeakPolarHBondContact O-CD 3.33Å; I136-K146 WeakPolarHBondContact O-CE 3.43Å; I136-K146 WeakPolarHBondContact O-CG 3.49Å; I136-Y149 HydrophobicContact CB-CD1 4.23Å; I136-Y149 HydrophobicContact CB-CE1 4.49Å; I136-Y149 HydrophobicContact CD1-CE1 4.4Å; I136-Y149 HydrophobicContact CG1-CD1 3.86Å; I136-Y149 HydrophobicContact CG1-CE1 3.69Å; I136-Y149 HydrophobicContact CG2-CD1 3.81Å; I136-Y149 HydrophobicContact CG2-CG 4.23Å; I136-L150 HydrophobicContact CB-CD2 4.28Å; I136-L150 HydrophobicContact CG2-CD2 4.41Å; I136-L150 HydrophobicContact CG2-CG 4.33Å
137S98.5Very high97.4Very high0 Ų025.5 Ų25.50%012%0.12CC..Hα-helixtrans-61.7-37.9172.4-66.40000111.8T133 G134 K146 L227T133-S137 WeakPolarHBondContact O-CB 3.37Å; T133-S137 PolarHBondContact O-N 3.21Å; T133-S137 PolarHBondContact O-OG 2.91Å; G134-S137 PolarHBondContact O-N 3.26Å; S137-K146 PolarHBondContact O-NZ 3.08Å; S137-L227 WeakPolarHBondContact O-CD1 3.42Å
138L98.4Very high97.4Very high0 Ų027.5 Ų27.50%013%0.127CC..Hα-helixtrans-96.3-0.6-177.8-62.2-166.9000115.3L47 Q48 L53 W113 G134 I135 I136 L230L47-L138 HydrophobicContact CD2-CD1 4.29Å; Q48-L138 HydrophobicContact CG-CB 4.37Å; Q48-L138 WeakPolarHBondContact CG-O 3.33Å; Q48-L138 PolarHBondContact NE2-O 3.22Å; L53-L138 CarbonylContact C-O 3.02Å; L53-L138 HydrophobicContact CB-CB 4.1Å; L53-L138 WeakPolarHBondContact CB-O 3.32Å; L53-L138 HydrophobicContact CD1-CB 3.75Å; L53-L138 HydrophobicContact CD1-CD1 4.12Å; W113-L138 HydrophobicContact CH2-CD1 3.4Å; W113-L138 VanDerWaalsContact CH2-CD1 3.4Å; W113-L138 HydrophobicContact CH2-CG 3.89Å; W113-L138 HydrophobicContact CZ2-CD1 3.54Å; W113-L138 HydrophobicContact CZ2-CG 4.27Å; W113-L138 HydrophobicContact CZ3-CD1 3.97Å; G134-L138 PolarHBondContact O-N 3.33Å; I135-L138 PolarHBondContact O-N 3.26Å; I136-L138 VanDerWaalsContact C-N 3.28Å; I136-L138 PolarHBondContact O-N 3.24Å; L138-L230 HydrophobicContact CD2-CD2 3.73Å
139C98.3Very high97.4Very high0 Ų028.7 Ų28.70%013%0.132CC..SBendtrans-69.2173177.381.60000113.3L53 L56 I135 I136 A141 K146L53-C139 CarbonylContact O-C 3.13Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.2Å; L56-C139 HydrophobicContact CB-CB 4.26Å; L56-C139 HydrophobicContact CD2-CB 4.44Å; L56-C139 HydrophobicContact CG-CB 4.23Å; L56-C139 WeakPolarHBondContact O-CB 3.32Å; I135-C139 PolarHBondContact O-N 2.86Å; I136-C139 PolarHBondContact O-SG 3.25Å; C139-A141 VanDerWaalsContact C-N 3.34Å; C139-A141 PolarHBondContact O-N 3.35Å; C139-A141 VanDerWaalsContact SG-CB 3.55Å; C139-K146 WeakPolarHBondContact O-CE 3.45Å; C139-K146 PolarHBondContact O-NZ 3.22Å; C139-K146 VanDerWaalsContact SG-CE 3.58Å
140K96.1Very high97.4Very high97 Ų9728.8 Ų28.842%0.42213%0.132SC..SBendtrans-83.63.1-178.890.3-172.1167.5-162.20115.9L53 D54 L55 L56L53-K140 PolarHBondContact O-N 3.36Å; D54-K140 WeakPolarHBondContact O-CB 3.24Å; D54-K140 WeakPolarHBondContact O-CD 3.47Å; L55-K140 WeakPolarHBondContact O-CD 3.46Å; L55-K140 WeakPolarHBondContact O-CE 3.5Å; L55-K140 PolarHBondContact O-NZ 2.87Å; L56-K140 WeakPolarHBondContact O-CG 3.33Å; L56-K140 PolarHBondContact O-N 3.47Å
141A96.1Very high97.4Very high13 Ų1328.8 Ų28.811%0.10713%0.132CC..SBendtrans-69.5160.4-176.900000113.7L58 C139 K146 H231L58-A141 HydrophobicContact CB-CB 3.66Å; C139-A141 VanDerWaalsContact C-N 3.34Å; C139-A141 PolarHBondContact O-N 3.35Å; C139-A141 VanDerWaalsContact SG-CB 3.55Å; A141-K146 HydrophobicContact CB-CG 4.27Å; A141-K146 WeakPolarHBondContact O-CE 3.48Å; A141-H231 VanDerWaalsContact C-CE1 3.44Å; A141-H231 PolarHBondContact O-CE1 2.76Å
142H93.3Very high97.4Very high144 Ų14436.6 Ų36.667%0.66717%0.166SC*.  trans-63.4151.7176-59.6-72.2000111.8E144 D145 K146 H231H142-E144 VanDerWaalsContact C-N 3.35Å; H142-E144 PolarHBondContact O-N 2.96Å; H142-D145 WeakPolarHBondContact CB-OD2 3.42Å; H142-D145 IonicContact CD2-OD2 3.57Å; H142-D145 IonicContact CG-OD2 2.85Å; H142-D145 PolarHBondContact O-N 3.03Å; H142-K146 PolarHBondContact O-N 2.75Å; H142-K146 VanDerWaalsContact O-N 3.09Å; H142-H231 PolarHBondContact O-CE1 3.24Å
143L92.7Very high97.4Very high44 Ų4437.4 Ų37.423%0.2317%0.17CC..Hα-helixtrans-58-44.2-175.3-174.270.1000112.9D145 K146 Y147 L227 P228 H231L143-D145 PolarHBondContact O-N 3.07Å; L143-K146 PolarHBondContact O-N 3.43Å; L143-Y147 HydrophobicContact CD1-CE1 3.76Å; L143-Y147 HydrophobicContact CD1-CE2 4.17Å; L143-Y147 HydrophobicContact CD2-CE2 3.92Å; L143-Y147 HydrophobicContact CG-CD2 4.29Å; L143-Y147 HydrophobicContact CG-CE1 4.15Å; L143-Y147 HydrophobicContact CG-CE2 3.66Å; L143-Y147 VanDerWaalsContact O-CG 3.31Å; L143-Y147 PolarHBondContact O-N 3.44Å; L143-L227 HydrophobicContact CD1-CG 3.98Å; L143-P228 HydrophobicContact CD1-CB 4.45Å; L143-P228 HydrophobicContact CD2-CB 3.75Å; L143-H231 WeakPolarHBondContact CA-CE1 3.29Å; L143-H231 PolarHBondContact N-CE1 2.79Å
144E94.6Very high97.3Very high65 Ų6537.7 Ų37.730%0.30417%0.171SC..Hα-helixtrans-66.9-36179.4-172.2166.6130.700111.9H142 Y147 R148 L214 R218H142-E144 VanDerWaalsContact C-N 3.35Å; H142-E144 PolarHBondContact O-N 2.96Å; E144-Y147 PolarHBondContact O-N 2.83Å; E144-R148 HydrophobicContact CG-CG 4.37Å; E144-R148 WeakPolarHBondContact O-CB 3.38Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.21Å; E144-R148 PolarHBondContact O-N 2.91Å; E144-R148 IonicContact OE1-CZ 3.49Å; E144-R148 VanDerWaalsContact OE1-CZ 3.25Å; E144-R148 IonicContact OE1-NE 3.51Å; E144-R148 PolarHBondContact OE1-NE 2.8Å; E144-R148 IonicContact OE1-NH2 2.7Å; E144-R148 PolarHBondContact OE1-NH2 3.09Å; E144-L214 HydrophobicContact CG-CD1 3.89Å; E144-L214 HydrophobicContact CG-CD2 3.81Å; E144-L214 HydrophobicContact CG-CG 4.47Å; E144-R218 IonicContact OE1-NH2 2.78Å; E144-R218 IonicContact OE2-CZ 3.39Å; E144-R218 IonicContact OE2-NE 3.37Å; E144-R218 IonicContact OE2-NH2 2.72Å; E144-R218 PolarHBondContact OE2-NH2 3.22Å
145D97.3Very high97.2Very high65 Ų6538.5 Ų38.535%0.34818%0.178SC..Hα-helixtrans-65.4-41.4176.4-59.4-31.2000111.7L58 H142 L143 R148 Y149L58-D145 HydrophobicContact CD2-CB 3.86Å; H142-D145 WeakPolarHBondContact CB-OD2 3.42Å; H142-D145 IonicContact CD2-OD2 3.57Å; H142-D145 IonicContact CG-OD2 2.85Å; H142-D145 PolarHBondContact O-N 3.03Å; L143-D145 PolarHBondContact O-N 3.07Å; D145-R148 PolarHBondContact O-N 3.4Å; D145-Y149 WeakPolarHBondContact O-CB 3.39Å; D145-Y149 PolarHBondContact O-N 2.91Å
146K98.3Very high97.1Very high2 Ų239.6 Ų39.61%0.00919%0.186CC..Hα-helixtrans-59.3-49.5173-68.4179.6177.3-177.40111I136 S137 C139 A141 H142 L143 R148 Y149 L150 H231I136-K146 HydrophobicContact CG2-CB 4.43Å; I136-K146 HydrophobicContact CG2-CG 4.25Å; I136-K146 VanDerWaalsContact O-CD 3.26Å; I136-K146 WeakPolarHBondContact O-CD 3.33Å; I136-K146 WeakPolarHBondContact O-CE 3.43Å; I136-K146 WeakPolarHBondContact O-CG 3.49Å; S137-K146 PolarHBondContact O-NZ 3.08Å; C139-K146 WeakPolarHBondContact O-CE 3.45Å; C139-K146 PolarHBondContact O-NZ 3.22Å; C139-K146 VanDerWaalsContact SG-CE 3.58Å; A141-K146 HydrophobicContact CB-CG 4.27Å; A141-K146 WeakPolarHBondContact O-CE 3.48Å; H142-K146 PolarHBondContact O-N 2.75Å; H142-K146 VanDerWaalsContact O-N 3.09Å; L143-K146 PolarHBondContact O-N 3.43Å; K146-R148 PolarHBondContact O-N 2.77Å; K146-Y149 PolarHBondContact O-N 3.25Å; K146-L150 VanDerWaalsContact O-CB 3.31Å; K146-L150 WeakPolarHBondContact O-CB 3.47Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.46Å; K146-L150 PolarHBondContact O-N 3.05Å; K146-H231 WeakPolarHBondContact CD-CE1 3.28Å; K146-H231 WeakPolarHBondContact CD-NE2 3.48Å; K146-H231 WeakPolarHBondContact CE-CE1 3.32Å; K146-H231 WeakPolarHBondContact CE-NE2 3.23Å; K146-H231 PolarHBondContact NZ-NE2 3.2Å
147Y98.1Very high96.7Very high11 Ų1146 Ų464%0.04323%0.23CC..Hα-helixtrans-60.3-44.3178-65.1-18000112.1L143 E144 L150 F151 L214 M217 L227L143-Y147 HydrophobicContact CD1-CE1 3.76Å; L143-Y147 HydrophobicContact CD1-CE2 4.17Å; L143-Y147 HydrophobicContact CD2-CE2 3.92Å; L143-Y147 HydrophobicContact CG-CD2 4.29Å; L143-Y147 HydrophobicContact CG-CE1 4.15Å; L143-Y147 HydrophobicContact CG-CE2 3.66Å; L143-Y147 VanDerWaalsContact O-CG 3.31Å; L143-Y147 PolarHBondContact O-N 3.44Å; E144-Y147 PolarHBondContact O-N 2.83Å; Y147-L150 PolarHBondContact O-N 2.84Å; Y147-F151 VanDerWaalsContact O-CB 3.26Å; Y147-F151 WeakPolarHBondContact O-CB 3.14Å; Y147-F151 PolarHBondContact O-N 3.35Å; Y147-L214 VanDerWaalsContact CB-CD2 3.43Å; Y147-L214 HydrophobicContact CD2-CD2 3.83Å; Y147-L214 HydrophobicContact CG-CD2 4.16Å; Y147-M217 HydrophobicContact CD1-CE 3.73Å; Y147-M217 HydrophobicContact CD2-CB 3.83Å; Y147-M217 HydrophobicContact CD2-CE 4.44Å; Y147-M217 HydrophobicContact CD2-CG 4.33Å; Y147-M217 HydrophobicContact CE1-CE 3.25Å; Y147-M217 HydrophobicContact CE2-CB 3.58Å; Y147-M217 HydrophobicContact CE2-CE 4.03Å; Y147-M217 HydrophobicContact CE2-CG 4.35Å; Y147-M217 HydrophobicContact CG-CE 4.3Å; Y147-L227 HydrophobicContact CD1-CD2 4.49Å; Y147-L227 HydrophobicContact CE1-CD2 3.92Å; Y147-L227 HydrophobicContact CE1-CG 4.31Å
148R98.3Very high96.5Very high117 Ų11750.9 Ų50.944%0.44226%0.26SS..Hα-helixtrans-61.3-44.7175.7-73.9172.9179.8-78.10.3111.9E144 D145 K146 K152 L214E144-R148 HydrophobicContact CG-CG 4.37Å; E144-R148 WeakPolarHBondContact O-CB 3.38Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.21Å; E144-R148 PolarHBondContact O-N 2.91Å; E144-R148 IonicContact OE1-CZ 3.49Å; E144-R148 VanDerWaalsContact OE1-CZ 3.25Å; E144-R148 IonicContact OE1-NE 3.51Å; E144-R148 PolarHBondContact OE1-NE 2.8Å; E144-R148 IonicContact OE1-NH2 2.7Å; E144-R148 PolarHBondContact OE1-NH2 3.09Å; D145-R148 PolarHBondContact O-N 3.4Å; K146-R148 PolarHBondContact O-N 2.77Å; R148-K152 WeakPolarHBondContact O-CB 3.17Å; R148-K152 PolarHBondContact O-N 3.39Å; R148-K152 VanDerWaalsContact O-N 3.13Å; R148-L214 HydrophobicContact CG-CD1 3.82Å; R148-L214 HydrophobicContact CG-CD2 4.4Å
149Y98.3Very high96.3Very high31 Ų3152.5 Ų52.512%0.12228%0.277CS..Hα-helixtrans-63.4-49.4177.6-179.2-83.3000111.9L58 C62 L65 K132 I136 D145 K146 K152 Q153L58-Y149 HydrophobicContact CD1-CD2 3.87Å; L58-Y149 HydrophobicContact CD1-CE2 4.48Å; L58-Y149 HydrophobicContact CD1-CG 4.05Å; C62-Y149 WeakPolarHBondContact SG-CE2 3.35Å; L65-Y149 WeakPolarHBondContact CD1-OH 3.2Å; K132-Y149 HydrophobicContact CB-CE1 4.42Å; K132-Y149 HydrophobicContact CD-CE1 4.4Å; I136-Y149 HydrophobicContact CB-CD1 4.23Å; I136-Y149 HydrophobicContact CB-CE1 4.49Å; I136-Y149 HydrophobicContact CD1-CE1 4.4Å; I136-Y149 HydrophobicContact CG1-CD1 3.86Å; I136-Y149 HydrophobicContact CG1-CE1 3.69Å; I136-Y149 HydrophobicContact CG2-CD1 3.81Å; I136-Y149 HydrophobicContact CG2-CG 4.23Å; D145-Y149 WeakPolarHBondContact O-CB 3.39Å; D145-Y149 PolarHBondContact O-N 2.91Å; K146-Y149 PolarHBondContact O-N 3.25Å; Y149-K152 WeakPolarHBondContact O-CB 3.44Å; Y149-K152 PolarHBondContact O-N 2.86Å; Y149-Q153 HydrophobicContact CD1-CG 4.04Å; Y149-Q153 HydrophobicContact CE1-CG 3.58Å; Y149-Q153 VanDerWaalsContact CZ-NE2 3.34Å; Y149-Q153 WeakPolarHBondContact O-CG 3.44Å; Y149-Q153 PolarHBondContact O-N 3.36Å; Y149-Q153 PolarHBondContact O-NE2 3.34Å
150L98.4Very high96.3Very high3 Ų355.8 Ų55.82%0.01629%0.291CS..Hα-helixtrans-66.3-43.7-176.2-71.8172.9000111.6T133 I136 K146 Y147 K152 Q153 L169T133-L150 HydrophobicContact CG2-CD2 4.49Å; I136-L150 HydrophobicContact CB-CD2 4.28Å; I136-L150 HydrophobicContact CG2-CD2 4.41Å; I136-L150 HydrophobicContact CG2-CG 4.33Å; K146-L150 VanDerWaalsContact O-CB 3.31Å; K146-L150 WeakPolarHBondContact O-CB 3.47Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.46Å; K146-L150 PolarHBondContact O-N 3.05Å; Y147-L150 PolarHBondContact O-N 2.84Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.34Å; L150-Q153 WeakPolarHBondContact O-CB 3.42Å; L150-Q153 PolarHBondContact O-N 3.14Å; L150-L169 HydrophobicContact CB-CD1 3.81Å; L150-L169 HydrophobicContact CB-CD2 4.25Å; L150-L169 HydrophobicContact CD2-CD1 4.39Å; L150-L169 HydrophobicContact CG-CD1 4.47Å
151F98.4Very high96.4Very high4 Ų451.2 Ų51.22%0.01827%0.271CS..Hα-helixtrans-57.8-43.6172.4-176.1-89.6000111.7Y147 Q153 V154 A155 C161 I208 E209 A210 F213Y147-F151 VanDerWaalsContact O-CB 3.26Å; Y147-F151 WeakPolarHBondContact O-CB 3.14Å; Y147-F151 PolarHBondContact O-N 3.35Å; F151-Q153 PolarHBondContact O-N 3.02Å; F151-V154 WeakPolarHBondContact O-CG2 3.26Å; F151-V154 PolarHBondContact O-N 3.45Å; F151-V154 VanDerWaalsContact O-N 3.11Å; F151-A155 HydrophobicContact CD1-CB 4.12Å; F151-A155 HydrophobicContact CE1-CB 3.85Å; F151-A155 WeakPolarHBondContact O-CB 3.35Å; F151-A155 PolarHBondContact O-N 3.21Å; F151-C161 HydrophobicContact CE1-CB 4.24Å; F151-C161 HydrophobicContact CE2-CB 3.5Å; F151-C161 VanDerWaalsContact CE2-CB 3.5Å; F151-C161 HydrophobicContact CZ-CB 3.33Å; F151-I208 HydrophobicContact CE2-CD1 4.2Å; F151-I208 HydrophobicContact CE2-CG1 4.09Å; F151-I208 HydrophobicContact CZ-CG1 4.34Å; F151-E209 VanDerWaalsContact CZ-C 3.48Å; F151-A210 HydrophobicContact CD1-CB 3.6Å; F151-A210 HydrophobicContact CE1-CB 3.71Å; F151-A210 VanDerWaalsContact CE1-N 3.29Å; F151-A210 HydrophobicContact CG-CB 4.34Å; F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.9Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.51Å; F151-F213 HydrophobicContact CD2-CD1 3.51Å; F151-F213 AromaticContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CE1 4.15Å; F151-F213 AromaticContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CE2-CB 3.59Å; F151-F213 HydrophobicContact CE2-CD1 4.4Å; F151-F213 HydrophobicContact CE2-CD2 4.41Å; F151-F213 AromaticContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CG-CB 4.44Å; F151-F213 AromaticContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CE1 4.46Å; F151-F213 HydrophobicContact CG-CG 4.25Å; F151-F213 HydrophobicContact CZ-CB 4.47Å
152K97.8Very high96.4Very high164 Ų16452.2 Ų52.271%0.71328%0.275SS*.Hα-helixtrans-62.4-19.2175.9-173.2179.1177-173.80113.5R148 Y149 L150R148-K152 WeakPolarHBondContact O-CB 3.17Å; R148-K152 PolarHBondContact O-N 3.39Å; R148-K152 VanDerWaalsContact O-N 3.13Å; Y149-K152 WeakPolarHBondContact O-CB 3.44Å; Y149-K152 PolarHBondContact O-N 2.86Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.34Å
153Q97.6Very high96.7Very high25 Ų2549.9 Ų49.912%0.11726%0.264CS..Hα-helixtrans-77.2-25.3175-58.1-39.2-69.500113.4N73 L129 K132 Y149 L150 F151N73-Q153 WeakPolarHBondContact ND2-CA 3.44Å; N73-Q153 WeakPolarHBondContact ND2-CB 3.46Å; N73-Q153 PolarHBondContact ND2-O 2.89Å; N73-Q153 PolarHBondContact ND2-OE1 2.92Å; L129-Q153 HydrophobicContact CD1-CB 3.59Å; K132-Q153 HydrophobicContact CD-CG 4.1Å; Y149-Q153 HydrophobicContact CD1-CG 4.04Å; Y149-Q153 HydrophobicContact CE1-CG 3.58Å; Y149-Q153 VanDerWaalsContact CZ-NE2 3.34Å; Y149-Q153 WeakPolarHBondContact O-CG 3.44Å; Y149-Q153 PolarHBondContact O-N 3.36Å; Y149-Q153 PolarHBondContact O-NE2 3.34Å; L150-Q153 WeakPolarHBondContact O-CB 3.42Å; L150-Q153 PolarHBondContact O-N 3.14Å; F151-Q153 PolarHBondContact O-N 3.02Å
154V97.5Very high96.9Very high6 Ų654.7 Ų54.74%0.03628%0.28CS..Hα-helixtrans-107.4-23.5-178.9-65.40000113.9L129 F151 R165 L168 L169L129-V154 HydrophobicContact CD1-CG1 3.86Å; L129-V154 HydrophobicContact CD2-CG1 3.86Å; F151-V154 WeakPolarHBondContact O-CG2 3.26Å; F151-V154 PolarHBondContact O-N 3.45Å; F151-V154 VanDerWaalsContact O-N 3.11Å; V154-R165 HydrophobicContact CB-CB 4.21Å; V154-R165 WeakPolarHBondContact CB-O 3.48Å; V154-R165 WeakPolarHBondContact CG2-O 3.44Å; V154-R165 WeakPolarHBondContact O-CB 3.49Å; V154-R165 WeakPolarHBondContact O-CD 3.46Å; V154-R165 WeakPolarHBondContact O-CG 3.23Å; V154-R165 PolarHBondContact O-NH1 2.9Å; V154-L168 HydrophobicContact CG1-CB 4.17Å; V154-L169 HydrophobicContact CG1-CB 3.88Å; V154-L169 HydrophobicContact CG2-CB 3.91Å; V154-L169 HydrophobicContact CG2-CD2 4.26Å
155A97.1Very high97Very high16 Ų1655 Ų5513%0.13228%0.278CS..SBendtrans-59.5160.7175.200000113F151 F160 R165F151-A155 HydrophobicContact CD1-CB 4.12Å; F151-A155 HydrophobicContact CE1-CB 3.85Å; F151-A155 WeakPolarHBondContact O-CB 3.35Å; F151-A155 PolarHBondContact O-N 3.21Å; A155-F160 CarbonylContact C-O 3.57Å; A155-F160 VanDerWaalsContact CA-O 3.29Å; A155-F160 WeakPolarHBondContact CA-O 3.37Å; A155-R165 PolarHBondContact O-NH1 3.04Å
156S94.9Very high97.1Very high25 Ų2551.9 Ų51.918%0.17526%0.261CS..  trans-66.3168.3170.1690000111.8T158 G159 F160S156-T158 PolarHBondContact O-N 3.46Å; S156-T158 PolarHBondContact OG-N 2.96Å; S156-T158 PolarHBondContact OG-OG1 3.02Å; S156-G159 PolarHBondContact O-N 3.45Å; S156-G159 PolarHBondContact OG-N 3.33Å; S156-G159 VanDerWaalsContact OG-N 3.16Å; S156-F160 PolarHBondContact N-O 3.26Å; S156-F160 PolarHBondContact OG-N 3.32Å; S156-F160 PolarHBondContact OG-O 2.83Å
157S91.4Very high97.1Very high133 Ų13352.3 Ų52.393%0.9327%0.266SS*.THydrogen-bonded Turntrans-59.5-21.1167.349.10000113.5
158T93.7Very high97Very high104 Ų10454 Ų5464%0.63828%0.275SS*.THydrogen-bonded Turntrans-88.7-2.4173.948.80000113.9S156 F160S156-T158 PolarHBondContact O-N 3.46Å; S156-T158 PolarHBondContact OG-N 2.96Å; S156-T158 PolarHBondContact OG-OG1 3.02Å; T158-F160 WeakPolarHBondContact O-CD2 3.42Å
159G94.9Very high97Very high34 Ų3448.5 Ų48.535%0.35126%0.255SS..SBendtrans88.85.1176.100000115.9S156S156-G159 PolarHBondContact O-N 3.45Å; S156-G159 PolarHBondContact OG-N 3.33Å; S156-G159 VanDerWaalsContact OG-N 3.16Å
160F97.3Very high97Very high69 Ų6947 Ų4730%0.30325%0.249SC..EExtended strand (participates in β ladder)trans-94.6151.3180-66.8-82.7000112A155 S156 T158 E207 I208 E209A155-F160 CarbonylContact C-O 3.57Å; A155-F160 VanDerWaalsContact CA-O 3.29Å; A155-F160 WeakPolarHBondContact CA-O 3.37Å; S156-F160 PolarHBondContact N-O 3.26Å; S156-F160 PolarHBondContact OG-N 3.32Å; S156-F160 PolarHBondContact OG-O 2.83Å; T158-F160 WeakPolarHBondContact O-CD2 3.42Å; F160-E207 HydrophobicContact CB-CB 4.12Å; F160-E207 WeakPolarHBondContact CB-OE2 3.48Å; F160-E207 HydrophobicContact CD1-CB 4.35Å; F160-I208 CarbonylContact C-O 3.59Å; F160-E209 HydrophobicContact CD1-CG 3.87Å; F160-E209 HydrophobicContact CE1-CG 3.57Å; F160-E209 WeakPolarHBondContact CE1-OE1 3.37Å; F160-E209 HydrophobicContact CZ-CG 4.34Å
161C98Very high97Very high0 Ų050.6 Ų50.60%027%0.265CS..EExtended strand (participates in β ladder)trans-133.1117.2-176.6-168.70000110.3F151 R165 L166 F199 E207 I208F151-C161 HydrophobicContact CE1-CB 4.24Å; F151-C161 HydrophobicContact CE2-CB 3.5Å; F151-C161 VanDerWaalsContact CE2-CB 3.5Å; F151-C161 HydrophobicContact CZ-CB 3.33Å; C161-R165 WeakPolarHBondContact SG-CB 3.41Å; C161-L166 PolarHBondContact SG-N 2.89Å; C161-F199 WeakPolarHBondContact O-CZ 3.34Å; C161-E207 CarbonylContact O-C 3.59Å; C161-E207 WeakPolarHBondContact O-CA 3.47Å; C161-I208 HydrophobicContact CB-CG1 4.02Å; C161-I208 PolarHBondContact N-O 3.33Å; C161-I208 PolarHBondContact O-N 3.45Å
162D97.8Very high97Very high35 Ų3550.4 Ų50.419%0.18727%0.265CS..EExtended strand (participates in β ladder)trans-78.5170.2173.370.253.1000112R164 R165 L166 E207D162-R164 VanDerWaalsContact C-N 3.29Å; D162-R164 PolarHBondContact O-N 3.16Å; D162-R164 WeakPolarHBondContact OD1-CA 3.5Å; D162-R164 VanDerWaalsContact OD1-CB 3.29Å; D162-R164 WeakPolarHBondContact OD1-CB 3.46Å; D162-R164 PolarHBondContact OD1-N 2.79Å; D162-R164 IonicContact OD1-NE 3.55Å; D162-R164 IonicContact OD2-NH2 3.36Å; D162-R164 PolarHBondContact OD2-NH2 3.33Å; D162-R165 PolarHBondContact O-N 3.45Å; D162-R165 WeakPolarHBondContact OD1-CG 3.44Å; D162-R165 PolarHBondContact OD1-N 3.14Å; D162-R165 WeakPolarHBondContact OD2-CD 3.37Å; D162-R165 WeakPolarHBondContact OD2-CG 3.49Å; D162-R165 IonicContact OD2-NE 3.51Å; D162-R165 PolarHBondContact OD2-NE 2.92Å; D162-L166 PolarHBondContact O-N 3.4Å; D162-E207 HydrophobicContact CB-CG 4.42Å
163Q98Very high97Very high94 Ų9442.6 Ų42.644%0.43923%0.231SC..Hα-helixtrans-58.5-37.5-179.5-75.7-172.455.100113.4G167 V195 F199Q163-G167 PolarHBondContact O-N 2.78Å; Q163-V195 HydrophobicContact CB-CG1 3.73Å; Q163-V195 HydrophobicContact CG-CG1 3.92Å; Q163-V195 WeakPolarHBondContact O-CG1 3.35Å; Q163-F199 HydrophobicContact CB-CE2 4.36Å; Q163-F199 HydrophobicContact CB-CZ 4.36Å; Q163-F199 HydrophobicContact CG-CB 4.35Å; Q163-F199 HydrophobicContact CG-CD1 3.49Å; Q163-F199 VanDerWaalsContact CG-CD1 3.49Å; Q163-F199 HydrophobicContact CG-CD2 3.66Å; Q163-F199 HydrophobicContact CG-CE1 3.61Å; Q163-F199 HydrophobicContact CG-CE2 3.76Å; Q163-F199 HydrophobicContact CG-CG 3.53Å; Q163-F199 HydrophobicContact CG-CZ 3.74Å
164R97.1Very high97Very high146 Ų14641.4 Ų41.455%0.55123%0.225SC*.Hα-helixtrans-71.6-39-179.8174-163.163.585.614.5110.7D162 G167 L168D162-R164 VanDerWaalsContact C-N 3.29Å; D162-R164 PolarHBondContact O-N 3.16Å; D162-R164 WeakPolarHBondContact OD1-CA 3.5Å; D162-R164 VanDerWaalsContact OD1-CB 3.29Å; D162-R164 WeakPolarHBondContact OD1-CB 3.46Å; D162-R164 PolarHBondContact OD1-N 2.79Å; D162-R164 IonicContact OD1-NE 3.55Å; D162-R164 IonicContact OD2-NH2 3.36Å; D162-R164 PolarHBondContact OD2-NH2 3.33Å; R164-G167 CarbonylContact O-C 3.58Å; R164-G167 WeakPolarHBondContact O-CA 3.42Å; R164-G167 PolarHBondContact O-N 2.9Å; R164-L168 WeakPolarHBondContact O-CG 3.33Å; R164-L168 PolarHBondContact O-N 3.35Å
165R97.6Very high97Very high71 Ų7142.2 Ų42.227%0.26823%0.229SC..Hα-helixtrans-63.5-45.3174-72.4170.2-176.8-80.6-0.6112V154 A155 C161 D162 G167 L168 L169V154-R165 HydrophobicContact CB-CB 4.21Å; V154-R165 WeakPolarHBondContact CB-O 3.48Å; V154-R165 WeakPolarHBondContact CG2-O 3.44Å; V154-R165 WeakPolarHBondContact O-CB 3.49Å; V154-R165 WeakPolarHBondContact O-CD 3.46Å; V154-R165 WeakPolarHBondContact O-CG 3.23Å; V154-R165 PolarHBondContact O-NH1 2.9Å; A155-R165 PolarHBondContact O-NH1 3.04Å; C161-R165 WeakPolarHBondContact SG-CB 3.41Å; D162-R165 PolarHBondContact O-N 3.45Å; D162-R165 WeakPolarHBondContact OD1-CG 3.44Å; D162-R165 PolarHBondContact OD1-N 3.14Å; D162-R165 WeakPolarHBondContact OD2-CD 3.37Å; D162-R165 WeakPolarHBondContact OD2-CG 3.49Å; D162-R165 IonicContact OD2-NE 3.51Å; D162-R165 PolarHBondContact OD2-NE 2.92Å; R165-G167 VanDerWaalsContact C-N 3.26Å; R165-G167 PolarHBondContact O-N 2.62Å; R165-L168 PolarHBondContact O-N 3.39Å; R165-L169 PolarHBondContact O-N 3.16Å
166L98.3Very high97.1Very high0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-62-39.7171.5-178.962.9000110.8C161 D162 L168 L169 L170 V195 C198 F199 I208 F213C161-L166 PolarHBondContact SG-N 2.89Å; D162-L166 PolarHBondContact O-N 3.4Å; L166-L168 PolarHBondContact O-N 3.36Å; L166-L169 PolarHBondContact O-N 3.38Å; L166-L170 HydrophobicContact CD1-CD1 4.28Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CD2-CD1 4.38Å; L166-L170 HydrophobicContact CG-CD1 3.98Å; L166-L170 HydrophobicContact CG-CG 4.23Å; L166-L170 WeakPolarHBondContact O-CG 3.26Å; L166-L170 PolarHBondContact O-N 3.1Å; L166-V195 HydrophobicContact CD2-CG1 4.49Å; L166-V195 HydrophobicContact CG-CG2 4.43Å; L166-C198 HydrophobicContact CD2-CB 3.48Å; L166-C198 VanDerWaalsContact CD2-CB 3.48Å; L166-F199 HydrophobicContact CB-CE2 4.14Å; L166-F199 HydrophobicContact CD2-CD2 4.03Å; L166-F199 HydrophobicContact CD2-CE2 3.69Å; L166-I208 HydrophobicContact CD2-CD1 4.34Å; L166-F213 HydrophobicContact CD1-CD2 3.96Å; L166-F213 HydrophobicContact CD1-CE2 3.74Å
167G97.9Very high97.2Very high10 Ų1040.3 Ų40.310%0.10321%0.214CC..Hα-helixtrans-54.5-47.2173.700000113.2Q163 R164 R165 L169 L170 H171Q163-G167 PolarHBondContact O-N 2.78Å; R164-G167 CarbonylContact O-C 3.58Å; R164-G167 WeakPolarHBondContact O-CA 3.42Å; R164-G167 PolarHBondContact O-N 2.9Å; R165-G167 VanDerWaalsContact C-N 3.26Å; R165-G167 PolarHBondContact O-N 2.62Å; G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 3.37Å; G167-L170 PolarHBondContact O-N 2.91Å; G167-H171 WeakPolarHBondContact O-CB 3.47Å; G167-H171 PolarHBondContact O-N 3.07Å
168L97.6Very high97.4Very high47 Ų4738 Ų3825%0.24619%0.185CC..Hα-helixtrans-57.9-42.8176-68.2172.2000112.6L129 V154 R164 R165 L166 D172L129-L168 HydrophobicContact CD2-CB 3.95Å; V154-L168 HydrophobicContact CG1-CB 4.17Å; R164-L168 WeakPolarHBondContact O-CG 3.33Å; R164-L168 PolarHBondContact O-N 3.35Å; R165-L168 PolarHBondContact O-N 3.39Å; L166-L168 PolarHBondContact O-N 3.36Å; L168-D172 PolarHBondContact O-N 3.37Å; L168-D172 VanDerWaalsContact O-N 3.16Å
169L98.4Very high97.5Very high2 Ų235.3 Ų35.31%0.0117%0.165CC..Hα-helixtrans-68.1-45.9178.2173.457.8000112L150 V154 R165 L166 G167 S173 F213L150-L169 HydrophobicContact CB-CD1 3.81Å; L150-L169 HydrophobicContact CB-CD2 4.25Å; L150-L169 HydrophobicContact CD2-CD1 4.39Å; L150-L169 HydrophobicContact CG-CD1 4.47Å; V154-L169 HydrophobicContact CG1-CB 3.88Å; V154-L169 HydrophobicContact CG2-CB 3.91Å; V154-L169 HydrophobicContact CG2-CD2 4.26Å; R165-L169 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.38Å; G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 3.37Å; L169-S173 VanDerWaalsContact O-CB 3.26Å; L169-S173 WeakPolarHBondContact O-CB 3.24Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 3.04Å; L169-F213 HydrophobicContact CD2-CE2 4.37Å; L169-F213 HydrophobicContact CD2-CZ 3.87Å
170L98.1Very high97.5Very high0 Ų034.6 Ų34.60%015%0.153CC..Hα-helixtrans-67.8-38.2179.4-65.3-178.5000111.5L166 G167 S173 I174 I191 V195 W216 M224L166-L170 HydrophobicContact CD1-CD1 4.28Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CD2-CD1 4.38Å; L166-L170 HydrophobicContact CG-CD1 3.98Å; L166-L170 HydrophobicContact CG-CG 4.23Å; L166-L170 WeakPolarHBondContact O-CG 3.26Å; L166-L170 PolarHBondContact O-N 3.1Å; G167-L170 PolarHBondContact O-N 2.91Å; L170-S173 PolarHBondContact O-N 3.34Å; L170-I174 WeakPolarHBondContact O-CB 3.4Å; L170-I174 WeakPolarHBondContact O-CG2 3.42Å; L170-I174 PolarHBondContact O-N 3.39Å; L170-I191 HydrophobicContact CB-CB 4.05Å; L170-I191 HydrophobicContact CB-CG1 4.44Å; L170-I191 HydrophobicContact CB-CG2 4.19Å; L170-V195 HydrophobicContact CD1-CG2 3.94Å; L170-W216 HydrophobicContact CD1-CH2 4.01Å; L170-W216 HydrophobicContact CD2-CH2 4.26Å; L170-W216 HydrophobicContact CD2-CZ3 4.27Å; L170-M224 HydrophobicContact CD2-CG 3.69Å; L170-M224 HydrophobicContact CD2-SD 3.72Å
171H97.6Very high97.4Very high77 Ų7734.3 Ų34.336%0.35617%0.17SC..Hα-helixtrans-57.8-48.8175.1174.9-83.4000111.8G167 I174 Q175 I191G167-H171 WeakPolarHBondContact O-CB 3.47Å; G167-H171 PolarHBondContact O-N 3.07Å; H171-I174 WeakPolarHBondContact O-CG2 3.49Å; H171-Q175 PolarHBondContact CE1-NE2 2.97Å; H171-Q175 PolarHBondContact NE2-NE2 2.88Å; H171-Q175 WeakPolarHBondContact O-CG 3.35Å; H171-Q175 PolarHBondContact O-NE2 3.39Å; H171-I191 HydrophobicContact CB-CG1 4.22Å
172D98.1Very high97.2Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-72.9-35.5-179.8-73.412.7000111Y118 R127 S130 T133 L168 I174 Q175Y118-D172 HydrophobicContact CE1-CB 4.17Å; Y118-D172 WeakPolarHBondContact CE1-O 3.35Å; Y118-D172 PolarHBondContact OH-O 2.95Å; R127-D172 IonicContact CZ-OD1 2.99Å; R127-D172 IonicContact CZ-OD2 2.76Å; R127-D172 IonicContact NH1-OD1 3.25Å; R127-D172 PolarHBondContact NH1-OD1 3.25Å; R127-D172 IonicContact NH1-OD2 3.47Å; R127-D172 PolarHBondContact NH1-OD2 3.41Å; R127-D172 IonicContact NH2-OD1 3.37Å; R127-D172 PolarHBondContact NH2-OD1 3.13Å; R127-D172 IonicContact NH2-OD2 3.42Å; R127-D172 PolarHBondContact NH2-OD2 3.24Å; S130-D172 WeakPolarHBondContact CA-OD2 3.28Å; S130-D172 WeakPolarHBondContact CB-OD2 3.41Å; S130-D172 PolarHBondContact N-OD2 2.95Å; S130-D172 PolarHBondContact OG-OD2 3.28Å; T133-D172 HydrophobicContact CG2-CB 4.02Å; L168-D172 PolarHBondContact O-N 3.37Å; L168-D172 VanDerWaalsContact O-N 3.16Å; D172-I174 PolarHBondContact O-N 3.08Å; D172-Q175 PolarHBondContact O-N 2.97Å
173S98.3Very high97Very high0 Ų034.6 Ų34.60%017%0.172CC..Hα-helixtrans-64.2-37.1176.6-59.40000113L169 L170 Q175 I176 P177 M224 W226L169-S173 VanDerWaalsContact O-CB 3.26Å; L169-S173 WeakPolarHBondContact O-CB 3.24Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 3.04Å; L170-S173 PolarHBondContact O-N 3.34Å; S173-Q175 VanDerWaalsContact C-N 3.28Å; S173-Q175 PolarHBondContact O-N 3.45Å; S173-I176 PolarHBondContact O-N 3.06Å; S173-P177 WeakPolarHBondContact O-CD 3.45Å; S173-M224 WeakPolarHBondContact CB-SD 3.28Å; S173-W226 WeakPolarHBondContact O-CZ2 3.38Å
174I97.5Very high96.6Very high1 Ų134.5 Ų34.51%0.00519%0.187CC..Hα-helixtrans-73.8-17.1-178.1-158.366.2000113L170 H171 D172 I176 P177 R178 V183 F186 I191L170-I174 WeakPolarHBondContact O-CB 3.4Å; L170-I174 WeakPolarHBondContact O-CG2 3.42Å; L170-I174 PolarHBondContact O-N 3.39Å; H171-I174 WeakPolarHBondContact O-CG2 3.49Å; D172-I174 PolarHBondContact O-N 3.08Å; I174-I176 VanDerWaalsContact C-N 3.26Å; I174-I176 PolarHBondContact O-N 2.9Å; I174-P177 HydrophobicContact CD1-CG 4.03Å; I174-P177 VanDerWaalsContact O-CD 3.26Å; I174-P177 WeakPolarHBondContact O-CD 3.48Å; I174-P177 WeakPolarHBondContact O-CG 3.3Å; I174-R178 WeakPolarHBondContact O-CB 3.41Å; I174-R178 PolarHBondContact O-N 3.38Å; I174-R178 VanDerWaalsContact O-N 3.1Å; I174-V183 HydrophobicContact CD1-CG2 4.42Å; I174-V183 HydrophobicContact CG1-CG2 3.95Å; I174-F186 HydrophobicContact CD1-CB 3.65Å; I174-I191 HydrophobicContact CB-CG2 4.17Å; I174-I191 HydrophobicContact CG2-CG2 3.71Å
175Q98.1Very high96.3Very high23 Ų2329.1 Ų29.111%0.10717%0.172CC..Hα-helixtrans-65.7-31.6175.9-53.8-46.8-40.500112V117 Y118 H171 D172 S173 R178 Q179V117-Q175 HydrophobicContact CG1-CB 3.51Å; Y118-Q175 HydrophobicContact CD1-CB 4.14Å; Y118-Q175 HydrophobicContact CD1-CG 4.12Å; Y118-Q175 HydrophobicContact CE1-CB 3.92Å; Y118-Q175 HydrophobicContact CE1-CG 4.07Å; H171-Q175 PolarHBondContact CE1-NE2 2.97Å; H171-Q175 PolarHBondContact NE2-NE2 2.88Å; H171-Q175 WeakPolarHBondContact O-CG 3.35Å; H171-Q175 PolarHBondContact O-NE2 3.39Å; D172-Q175 PolarHBondContact O-N 2.97Å; S173-Q175 VanDerWaalsContact C-N 3.28Å; S173-Q175 PolarHBondContact O-N 3.45Å; Q175-R178 WeakPolarHBondContact O-CB 3.42Å; Q175-R178 PolarHBondContact O-N 2.92Å; Q175-R178 VanDerWaalsContact O-N 3.17Å; Q175-R178 VanDerWaalsContact OE1-CD 3.26Å; Q175-Q179 PolarHBondContact O-N 3.44Å
176I98.3Very high96Very high0 Ų025.8 Ų25.80%016%0.159CC..Hα-helixtrans-59.9-52.3-179.3-64.3168.3000111.5L44 W113 V117 S173 I174 W226L44-I176 HydrophobicContact CD1-CG2 4.09Å; L44-I176 HydrophobicContact CD2-CG2 3.57Å; W113-I176 HydrophobicContact CZ2-CG1 4.42Å; V117-I176 HydrophobicContact CG1-CG1 4.08Å; S173-I176 PolarHBondContact O-N 3.06Å; I174-I176 VanDerWaalsContact C-N 3.26Å; I174-I176 PolarHBondContact O-N 2.9Å; I176-W226 HydrophobicContact CB-CH2 4.23Å; I176-W226 HydrophobicContact CB-CZ2 4.41Å; I176-W226 HydrophobicContact CD1-CH2 3.74Å; I176-W226 HydrophobicContact CD1-CZ2 4.34Å; I176-W226 HydrophobicContact CG2-CH2 4.14Å; I176-W226 HydrophobicContact CG2-CZ3 4.09Å
177P97.1Very high95.5Very high0 Ų028.4 Ų28.40%019%0.186CC..Hα-helixtrans-74.3-21.6170.728.7-35.7000114.6T40 S173 I174 L180 G181 E182 V183 F186 W226T40-P177 HydrophobicContact CG2-CB 4.03Å; S173-P177 WeakPolarHBondContact O-CD 3.45Å; I174-P177 HydrophobicContact CD1-CG 4.03Å; I174-P177 VanDerWaalsContact O-CD 3.26Å; I174-P177 WeakPolarHBondContact O-CD 3.48Å; I174-P177 WeakPolarHBondContact O-CG 3.3Å; P177-L180 PolarHBondContact O-N 3.1Å; P177-G181 PolarHBondContact O-N 2.9Å; P177-E182 PolarHBondContact O-N 3.02Å; P177-V183 PolarHBondContact O-N 3.46Å; P177-F186 HydrophobicContact CB-CD2 3.56Å; P177-F186 HydrophobicContact CB-CE2 3.68Å; P177-F186 HydrophobicContact CB-CG 4.44Å; P177-F186 HydrophobicContact CG-CD2 4.02Å; P177-F186 HydrophobicContact CG-CG 4.48Å; P177-W226 HydrophobicContact CG-CG 4.48Å
178R96.2Very high95.1Very high86 Ų8629 Ų2933%0.32519%0.193SC..Hα-helixtrans-62.5-44.5171.1-172.6-177.5-174.3-104.87.3111.3I174 Q175 L180 G181 V183 E370I174-R178 WeakPolarHBondContact O-CB 3.41Å; I174-R178 PolarHBondContact O-N 3.38Å; I174-R178 VanDerWaalsContact O-N 3.1Å; Q175-R178 WeakPolarHBondContact O-CB 3.42Å; Q175-R178 PolarHBondContact O-N 2.92Å; Q175-R178 VanDerWaalsContact O-N 3.17Å; Q175-R178 VanDerWaalsContact OE1-CD 3.26Å; R178-L180 PolarHBondContact O-N 3.08Å; R178-G181 PolarHBondContact O-N 3.37Å; R178-V183 HydrophobicContact CB-CB 4.02Å; R178-V183 HydrophobicContact CB-CG1 4.33Å; R178-V183 HydrophobicContact CB-CG2 4.35Å; R178-V183 HydrophobicContact CG-CB 4.36Å; R178-V183 HydrophobicContact CG-CG1 4.14Å; R178-E370 IonicContact NH2-OE1 3.73Å; R178-E370 PolarHBondContact NH2-OE1 3.29Å; R178-E370 IonicContact NH2-OE2 2.66Å
179Q96.1Very high94.6Very high46 Ų4630.1 Ų30.122%0.21520%0.204CC..Hα-helixtrans-61.7-29.3178.4-165-75.9-44.300112.4Y24 N116 V117 Q175 G181Y24-Q179 VanDerWaalsContact CZ-NE2 3.25Å; Y24-Q179 PolarHBondContact OH-NE2 2.93Å; Y24-Q179 PolarHBondContact OH-OE1 3.46Å; Y24-Q179 VanDerWaalsContact OH-OE1 3.05Å; N116-Q179 HydrophobicContact CB-CG 3.89Å; N116-Q179 WeakPolarHBondContact O-CG 3.4Å; V117-Q179 HydrophobicContact CG2-CB 3.85Å; V117-Q179 HydrophobicContact CG2-CG 3.85Å; Q175-Q179 PolarHBondContact O-N 3.44Å; Q179-G181 VanDerWaalsContact C-N 3.32Å
180L95.1Very high94.2Very high20 Ų2034.3 Ų34.311%0.10523%0.227CC..THydrogen-bonded Turntrans-82.8-0.4174.3-65.1-178.1000114.8Y24 L27 T40 K43 L44 P177 R178 E182Y24-L180 HydrophobicContact CE1-CD2 4.17Å; L27-L180 HydrophobicContact CD1-CD2 3.62Å; T40-L180 HydrophobicContact CG2-CD1 4.05Å; K43-L180 HydrophobicContact CB-CD1 3.83Å; L44-L180 HydrophobicContact CD2-CD1 3.6Å; L44-L180 HydrophobicContact CD2-CG 4.49Å; L44-L180 HydrophobicContact CG-CD1 3.68Å; P177-L180 PolarHBondContact O-N 3.1Å; R178-L180 PolarHBondContact O-N 3.08Å; L180-E182 VanDerWaalsContact C-N 3.3Å; L180-E182 HydrophobicContact CB-CG 4.1Å; L180-E182 PolarHBondContact O-N 3.47Å
181G93.9Very high94Very high63 Ų6334.7 Ų34.765%0.64923%0.229SC*.THydrogen-bonded Turntrans75.211.3-175.600000114.8P177 R178 Q179P177-G181 PolarHBondContact O-N 2.9Å; R178-G181 PolarHBondContact O-N 3.37Å; Q179-G181 VanDerWaalsContact C-N 3.32Å
182E94.6Very high93.9Very high13 Ų1335 Ų356%0.06123%0.23CC..  trans-101.1-4.4-169.7-60.5-81.2-175.600113.5R39 T40 K43 P177 L180 A184 S185 F186R39-E182 WeakPolarHBondContact CD-OE1 3.41Å; R39-E182 WeakPolarHBondContact CG-OE1 3.49Å; R39-E182 IonicContact CZ-OE1 3.3Å; R39-E182 IonicContact CZ-OE2 3.92Å; R39-E182 VanDerWaalsContact CZ-OE2 3.31Å; R39-E182 VanDerWaalsContact NE-CD 3.31Å; R39-E182 IonicContact NE-OE1 2.98Å; R39-E182 PolarHBondContact NE-OE1 3.39Å; R39-E182 IonicContact NE-OE2 3.82Å; R39-E182 PolarHBondContact NE-OE2 3.46Å; R39-E182 IonicContact NH2-OE1 3.98Å; R39-E182 IonicContact NH2-OE2 2.97Å; R39-E182 PolarHBondContact NH2-OE2 2.71Å; T40-E182 HydrophobicContact CG2-CB 4.31Å; T40-E182 HydrophobicContact CG2-CG 4.38Å; T40-E182 WeakPolarHBondContact OG1-CB 3.48Å; T40-E182 WeakPolarHBondContact OG1-CG 3.34Å; K43-E182 IonicContact NZ-OE1 2.69Å; K43-E182 PolarHBondContact NZ-OE1 2.98Å; P177-E182 PolarHBondContact O-N 3.02Å; L180-E182 VanDerWaalsContact C-N 3.3Å; L180-E182 HydrophobicContact CB-CG 4.1Å; L180-E182 PolarHBondContact O-N 3.47Å; E182-A184 PolarHBondContact O-N 2.76Å; E182-S185 VanDerWaalsContact O-CB 3.28Å; E182-S185 WeakPolarHBondContact O-CB 3.42Å; E182-S185 PolarHBondContact O-N 2.9Å; E182-F186 HydrophobicContact CB-CD2 4.41Å; E182-F186 HydrophobicContact CB-CE2 3.79Å; E182-F186 WeakPolarHBondContact O-CD2 3.42Å
183V93.6Very high93.7Very high28 Ų2837.9 Ų37.917%0.1725%0.249CC..G310 helixtrans-51.2-32.4-171.160.90000115.6I174 P177 R178 S185 F186 G188I174-V183 HydrophobicContact CD1-CG2 4.42Å; I174-V183 HydrophobicContact CG1-CG2 3.95Å; P177-V183 PolarHBondContact O-N 3.46Å; R178-V183 HydrophobicContact CB-CB 4.02Å; R178-V183 HydrophobicContact CB-CG1 4.33Å; R178-V183 HydrophobicContact CB-CG2 4.35Å; R178-V183 HydrophobicContact CG-CB 4.36Å; R178-V183 HydrophobicContact CG-CG1 4.14Å; V183-S185 PolarHBondContact O-N 2.78Å; V183-S185 VanDerWaalsContact O-N 3.16Å; V183-F186 PolarHBondContact O-N 3.49Å; V183-G188 WeakPolarHBondContact CG2-O 3.32Å; V183-G188 PolarHBondContact O-N 3.11Å; V183-G188 VanDerWaalsContact O-N 3.14Å
184A89.4Confident93.6Very high91 Ų9138.7 Ų38.775%0.75226%0.255SS*.G310 helixtrans-58.6-27.7175.300000112.8E182 F186E182-A184 PolarHBondContact O-N 2.76Å; A184-F186 VanDerWaalsContact C-N 3.28Å; A184-F186 PolarHBondContact O-N 3.47Å
185S89.8Confident93.6Very high33 Ų3339.1 Ų39.123%0.23126%0.257CS..G310 helixtrans-76.2-11.4175-64.20000114.3S36 E182 V183 Q222S36-S185 VanDerWaalsContact CB-CB 3.47Å; S36-S185 WeakPolarHBondContact CB-OG 3.04Å; S36-S185 WeakPolarHBondContact OG-CB 3.29Å; S36-S185 PolarHBondContact OG-OG 2.93Å; E182-S185 VanDerWaalsContact O-CB 3.28Å; E182-S185 WeakPolarHBondContact O-CB 3.42Å; E182-S185 PolarHBondContact O-N 2.9Å; V183-S185 PolarHBondContact O-N 2.78Å; V183-S185 VanDerWaalsContact O-N 3.16Å; S185-Q222 PolarHBondContact O-NE2 3.02Å
186F93.1Very high93.5Very high2 Ų244 Ų441%0.00927%0.274CS..G310 helixtrans-115.717.1-172.2-58.4-68.4000112.8A37 T40 I174 P177 E182 V183 A184 Q222 S223 V225 W226A37-F186 HydrophobicContact CB-CE1 4.43Å; T40-F186 HydrophobicContact CG2-CE2 3.79Å; T40-F186 HydrophobicContact CG2-CZ 3.85Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.28Å; T40-F186 VanDerWaalsContact OG1-CZ 3.31Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.44Å; I174-F186 HydrophobicContact CD1-CB 3.65Å; P177-F186 HydrophobicContact CB-CD2 3.56Å; P177-F186 HydrophobicContact CB-CE2 3.68Å; P177-F186 HydrophobicContact CB-CG 4.44Å; P177-F186 HydrophobicContact CG-CD2 4.02Å; P177-F186 HydrophobicContact CG-CG 4.48Å; E182-F186 HydrophobicContact CB-CD2 4.41Å; E182-F186 HydrophobicContact CB-CE2 3.79Å; E182-F186 WeakPolarHBondContact O-CD2 3.42Å; V183-F186 PolarHBondContact O-N 3.49Å; A184-F186 VanDerWaalsContact C-N 3.28Å; A184-F186 PolarHBondContact O-N 3.47Å; F186-Q222 VanDerWaalsContact CA-O 3.32Å; F186-Q222 WeakPolarHBondContact CA-O 3.3Å; F186-Q222 WeakPolarHBondContact CB-O 3.32Å; F186-Q222 VanDerWaalsContact CD1-O 3.32Å; F186-Q222 WeakPolarHBondContact CD1-O 3.22Å; F186-Q222 CarbonylContact O-C 3.46Å; F186-S223 VanDerWaalsContact O-CA 3.25Å; F186-S223 WeakPolarHBondContact O-CA 3.35Å; F186-S223 PolarHBondContact O-N 3.21Å; F186-V225 HydrophobicContact CD1-CG1 3.89Å; F186-V225 HydrophobicContact CE1-CG1 3.87Å; F186-W226 HydrophobicContact CD1-CB 4.43Å; F186-W226 HydrophobicContact CE1-CB 3.75Å; F186-W226 HydrophobicContact CE1-CG 4.4Å; F186-W226 HydrophobicContact CZ-CB 3.84Å
187G86.4Confident93.4Very high55 Ų5546.5 Ų46.557%0.56729%0.292SS*.THydrogen-bonded Turntrans100.6-1.3179.100000115
188G89.4Confident93.4Very high23 Ų2346.5 Ų46.524%0.23729%0.292CS..  trans90.2-175.4-173.300000112.6V183V183-G188 WeakPolarHBondContact CG2-O 3.32Å; V183-G188 PolarHBondContact O-N 3.11Å; V183-G188 VanDerWaalsContact O-N 3.14Å
189S87.3Confident93.5Very high69 Ų6942.6 Ų42.648%0.48328%0.278SS..SBendtrans-76.4-23177.944.70000113.3I191S189-I191 PolarHBondContact O-N 2.91Å
190N91.4Very high93.5Very high91 Ų9146.4 Ų46.449%0.48730%0.295SS..  trans-74.9115.2176.9-172.8-92.8000110E192 P193N190-E192 PolarHBondContact ND2-OE2 3.21Å; N190-E192 PolarHBondContact OD1-OE2 3.43Å; N190-P193 WeakPolarHBondContact OD1-CD 3.25Å
191I93.6Very high93.5Very high8 Ų849.9 Ų49.94%0.04131%0.31CS..  trans-97-9.1-17353.368.5000113.2L170 H171 I174 S189 S194 V195L170-I191 HydrophobicContact CB-CB 4.05Å; L170-I191 HydrophobicContact CB-CG1 4.44Å; L170-I191 HydrophobicContact CB-CG2 4.19Å; H171-I191 HydrophobicContact CB-CG1 4.22Å; I174-I191 HydrophobicContact CB-CG2 4.17Å; I174-I191 HydrophobicContact CG2-CG2 3.71Å; S189-I191 PolarHBondContact O-N 2.91Å; I191-S194 WeakPolarHBondContact O-CA 3.41Å; I191-S194 WeakPolarHBondContact O-CB 3.26Å; I191-S194 PolarHBondContact O-N 2.96Å; I191-V195 HydrophobicContact CD1-CG2 3.84Å; I191-V195 PolarHBondContact O-N 3.48Å
192E94.7Very high93.5Very high82 Ų8247.1 Ų47.138%0.38328%0.281SS..Hα-helixtrans-60.4-37.1-174.7-6965.1-150.400113.4N190 S194 V195 R196N190-E192 PolarHBondContact ND2-OE2 3.21Å; N190-E192 PolarHBondContact OD1-OE2 3.43Å; E192-S194 VanDerWaalsContact C-N 3.28Å; E192-S194 PolarHBondContact O-N 2.84Å; E192-V195 PolarHBondContact O-N 3.17Å; E192-R196 WeakPolarHBondContact O-CB 3.34Å; E192-R196 WeakPolarHBondContact O-CG 3.39Å; E192-R196 PolarHBondContact O-N 2.57Å
193P94.9Very high93.5Very high62 Ų6252.9 Ų52.940%0.40331%0.312SS..Hα-helixtrans-58.2-37.1168.9-25.732.4000113.5N190 S197N190-P193 WeakPolarHBondContact OD1-CD 3.25Å; P193-S197 VanDerWaalsContact O-CB 3.29Å; P193-S197 WeakPolarHBondContact O-CB 3.32Å; P193-S197 PolarHBondContact O-N 2.76Å
194S95.4Very high93.6Very high17 Ų1757.3 Ų57.312%0.11934%0.335CS..Hα-helixtrans-73.7-40.2178.1-65.30000111.5I191 E192 S197 C198 W216 S223I191-S194 WeakPolarHBondContact O-CA 3.41Å; I191-S194 WeakPolarHBondContact O-CB 3.26Å; I191-S194 PolarHBondContact O-N 2.96Å; E192-S194 VanDerWaalsContact C-N 3.28Å; E192-S194 PolarHBondContact O-N 2.84Å; S194-S197 PolarHBondContact O-N 3Å; S194-C198 PolarHBondContact O-N 3.04Å; S194-W216 WeakPolarHBondContact O-CZ2 3.28Å; S194-S223 VanDerWaalsContact CB-OG 3.28Å; S194-S223 WeakPolarHBondContact CB-OG 3.39Å; S194-S223 WeakPolarHBondContact OG-CB 3.42Å; S194-S223 PolarHBondContact OG-OG 3.06Å
195V97.6Very high93.8Very high9 Ų958.5 Ų58.56%0.05532%0.323CS..Hα-helixtrans-59.5-51.8171.7176.80000110.3Q163 L166 L170 I191 E192 S197 C198 F199Q163-V195 HydrophobicContact CB-CG1 3.73Å; Q163-V195 HydrophobicContact CG-CG1 3.92Å; Q163-V195 WeakPolarHBondContact O-CG1 3.35Å; L166-V195 HydrophobicContact CD2-CG1 4.49Å; L166-V195 HydrophobicContact CG-CG2 4.43Å; L170-V195 HydrophobicContact CD1-CG2 3.94Å; I191-V195 HydrophobicContact CD1-CG2 3.84Å; I191-V195 PolarHBondContact O-N 3.48Å; E192-V195 PolarHBondContact O-N 3.17Å; V195-S197 VanDerWaalsContact C-N 3.3Å; V195-S197 PolarHBondContact O-N 2.88Å; V195-C198 PolarHBondContact O-N 3.45Å; V195-C198 VanDerWaalsContact O-N 3.14Å; V195-F199 HydrophobicContact CG1-CD2 4.16Å; V195-F199 HydrophobicContact CG1-CE2 4.43Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å; V195-F199 PolarHBondContact O-N 3.49Å
196R96.5Very high94.1Very high125 Ų12562.2 Ų62.247%0.47235%0.346SS..Hα-helixtrans-58.3-40.9176.9-71.8-172-61.1-98.33.1112E192 F199 Q200E192-R196 WeakPolarHBondContact O-CB 3.34Å; E192-R196 WeakPolarHBondContact O-CG 3.39Å; E192-R196 PolarHBondContact O-N 2.57Å; R196-F199 PolarHBondContact O-N 3.34Å; R196-Q200 VanDerWaalsContact O-CB 3.32Å; R196-Q200 WeakPolarHBondContact O-CB 3.34Å; R196-Q200 WeakPolarHBondContact O-CG 3.32Å; R196-Q200 PolarHBondContact O-N 2.82Å
197S96.3Very high94.3Very high54 Ų5465.8 Ų65.838%0.37836%0.363SS..Hα-helixtrans-60.6-44.4175.3176.60000112.6P193 S194 V195 F201P193-S197 VanDerWaalsContact O-CB 3.29Å; P193-S197 WeakPolarHBondContact O-CB 3.32Å; P193-S197 PolarHBondContact O-N 2.76Å; S194-S197 PolarHBondContact O-N 3Å; V195-S197 VanDerWaalsContact C-N 3.3Å; V195-S197 PolarHBondContact O-N 2.88Å; S197-F201 WeakPolarHBondContact O-CB 3.45Å; S197-F201 PolarHBondContact O-N 3.1Å
198C97.1Very high94.9Very high0 Ų063.3 Ų63.30%034%0.337CS..Hα-helixtrans-63.3-42.6176.8-168.30000112L166 S194 V195 F201 A202 W216L166-C198 HydrophobicContact CD2-CB 3.48Å; L166-C198 VanDerWaalsContact CD2-CB 3.48Å; S194-C198 PolarHBondContact O-N 3.04Å; V195-C198 PolarHBondContact O-N 3.45Å; V195-C198 VanDerWaalsContact O-N 3.14Å; C198-F201 WeakPolarHBondContact O-CB 3.39Å; C198-F201 PolarHBondContact O-N 3.28Å; C198-A202 PolarHBondContact O-N 3.38Å; C198-W216 HydrophobicContact CB-CD2 3.67Å; C198-W216 HydrophobicContact CB-CE3 4.05Å; C198-W216 HydrophobicContact CB-CG 4.1Å; C198-W216 HydrophobicContact CB-CH2 4.18Å; C198-W216 HydrophobicContact CB-CZ2 3.79Å; C198-W216 HydrophobicContact CB-CZ3 4.3Å
199F97.8Very high95.3Very high4 Ų467.4 Ų67.42%0.01835%0.35CS..Hα-helixtrans-75.8-30.1-178.9-83.4-102.9000113.3C161 Q163 L166 V195 R196 A202 N203 N204 K205 P206 I208C161-F199 WeakPolarHBondContact O-CZ 3.34Å; Q163-F199 HydrophobicContact CB-CE2 4.36Å; Q163-F199 HydrophobicContact CB-CZ 4.36Å; Q163-F199 HydrophobicContact CG-CB 4.35Å; Q163-F199 HydrophobicContact CG-CD1 3.49Å; Q163-F199 VanDerWaalsContact CG-CD1 3.49Å; Q163-F199 HydrophobicContact CG-CD2 3.66Å; Q163-F199 HydrophobicContact CG-CE1 3.61Å; Q163-F199 HydrophobicContact CG-CE2 3.76Å; Q163-F199 HydrophobicContact CG-CG 3.53Å; Q163-F199 HydrophobicContact CG-CZ 3.74Å; L166-F199 HydrophobicContact CB-CE2 4.14Å; L166-F199 HydrophobicContact CD2-CD2 4.03Å; L166-F199 HydrophobicContact CD2-CE2 3.69Å; V195-F199 HydrophobicContact CG1-CD2 4.16Å; V195-F199 HydrophobicContact CG1-CE2 4.43Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å; V195-F199 PolarHBondContact O-N 3.49Å; R196-F199 PolarHBondContact O-N 3.34Å; F199-A202 CarbonylContact O-C 3.55Å; F199-A202 WeakPolarHBondContact O-CB 3.34Å; F199-A202 PolarHBondContact O-N 2.99Å; F199-N203 PolarHBondContact O-N 3.15Å; F199-N204 VanDerWaalsContact O-CA 3.32Å; F199-N204 WeakPolarHBondContact O-CA 3.4Å; F199-N204 PolarHBondContact O-N 3Å; F199-K205 VanDerWaalsContact CD1-O 3.24Å; F199-K205 WeakPolarHBondContact CD1-O 3.36Å; F199-P206 WeakPolarHBondContact CE1-O 3.06Å; F199-I208 HydrophobicContact CD1-CG2 4.38Å; F199-I208 HydrophobicContact CE1-CG2 3.98Å; F199-I208 HydrophobicContact CE2-CD1 4.13Å; F199-I208 HydrophobicContact CE2-CG1 4.41Å; F199-I208 HydrophobicContact CE2-CG2 4.39Å; F199-I208 HydrophobicContact CZ-CD1 4.36Å; F199-I208 HydrophobicContact CZ-CG1 4.13Å; F199-I208 HydrophobicContact CZ-CG2 3.99Å
200Q96.4Very high95.7Very high126 Ų12665.5 Ų65.559%0.58934%0.338SS*.Hα-helixtrans-65.2-42.9167.3-74.7169.2-5.400111.4R196 A202 N203R196-Q200 VanDerWaalsContact O-CB 3.32Å; R196-Q200 WeakPolarHBondContact O-CB 3.34Å; R196-Q200 WeakPolarHBondContact O-CG 3.32Å; R196-Q200 PolarHBondContact O-N 2.82Å; Q200-A202 PolarHBondContact O-N 3.37Å; Q200-N203 WeakPolarHBondContact O-CA 3.42Å; Q200-N203 PolarHBondContact O-N 3.31Å
201F93.6Very high96Very high93 Ų9363.9 Ų63.941%0.40834%0.337SS..Hα-helixtrans-61.3-33.2171.1175-99.8000112.1S197 C198 N203 L212 D215 W216 L219S197-F201 WeakPolarHBondContact O-CB 3.45Å; S197-F201 PolarHBondContact O-N 3.1Å; C198-F201 WeakPolarHBondContact O-CB 3.39Å; C198-F201 PolarHBondContact O-N 3.28Å; F201-N203 PolarHBondContact O-N 3.43Å; F201-N203 VanDerWaalsContact O-N 3.15Å; F201-L212 HydrophobicContact CD1-CD2 3.87Å; F201-L212 HydrophobicContact CE1-CD2 4.1Å; F201-D215 HydrophobicContact CE1-CB 4.17Å; F201-D215 HydrophobicContact CZ-CB 4.11Å; F201-W216 HydrophobicContact CD1-CB 3.73Å; F201-W216 HydrophobicContact CD1-CG 4.27Å; F201-W216 HydrophobicContact CE1-CB 3.86Å; F201-L219 HydrophobicContact CD2-CD1 3.96Å; F201-L219 HydrophobicContact CE2-CD1 3.81Å; F201-L219 HydrophobicContact CZ-CD1 4.39Å
202A94.8Very high96.2Very high4 Ų465.2 Ų65.23%0.03334%0.344CS..THydrogen-bonded Turntrans-72.97.5171.500000115C198 F199 Q200 N204 K205 I208 L212C198-A202 PolarHBondContact O-N 3.38Å; F199-A202 CarbonylContact O-C 3.55Å; F199-A202 WeakPolarHBondContact O-CB 3.34Å; F199-A202 PolarHBondContact O-N 2.99Å; Q200-A202 PolarHBondContact O-N 3.37Å; A202-N204 VanDerWaalsContact C-N 3.29Å; A202-N204 PolarHBondContact O-N 2.97Å; A202-K205 WeakPolarHBondContact O-CG 3.12Å; A202-I208 HydrophobicContact CB-CG2 3.5Å; A202-I208 VanDerWaalsContact CB-CG2 3.5Å; A202-L212 HydrophobicContact CB-CD1 3.81Å; A202-L212 HydrophobicContact CB-CD2 3.63Å; A202-L212 HydrophobicContact CB-CG 4.4Å
203N95.4Very high96.3Very high134 Ų13461.5 Ų61.572%0.71733%0.327SS*.THydrogen-bonded Turntrans56.740.5-173.4-164.577.8000112.9F199 Q200 F201 K205F199-N203 PolarHBondContact O-N 3.15Å; Q200-N203 WeakPolarHBondContact O-CA 3.42Å; Q200-N203 PolarHBondContact O-N 3.31Å; F201-N203 PolarHBondContact O-N 3.43Å; F201-N203 VanDerWaalsContact O-N 3.15Å; N203-K205 VanDerWaalsContact C-N 3.25Å; N203-K205 PolarHBondContact O-N 3.24Å
204N94.6Very high96.4Very high122 Ų12258.8 Ų58.865%0.65231%0.309SS*.THydrogen-bonded Turntrans56.829.4177-50-64.8000115F199 A202F199-N204 VanDerWaalsContact O-CA 3.32Å; F199-N204 WeakPolarHBondContact O-CA 3.4Å; F199-N204 PolarHBondContact O-N 3Å; A202-N204 VanDerWaalsContact C-N 3.29Å; A202-N204 PolarHBondContact O-N 2.97Å
205K94.8Very high96.3Very high116 Ų11661.4 Ų61.450%0.50432%0.322SS..  trans-59.9147.2166.8-71174.9-179.8-176.20110.6F199 A202 N203 E207F199-K205 VanDerWaalsContact CD1-O 3.24Å; F199-K205 WeakPolarHBondContact CD1-O 3.36Å; A202-K205 WeakPolarHBondContact O-CG 3.12Å; N203-K205 VanDerWaalsContact C-N 3.25Å; N203-K205 PolarHBondContact O-N 3.24Å; K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 WeakPolarHBondContact CB-O 2.72Å; K205-E207 PolarHBondContact O-N 2.89Å
206P95.2Very high96.3Very high111 Ų11161.2 Ų61.272%0.72132%0.32SS*.SBendtrans-69.3-26.1179.828.6-35.5000113.3F199F199-P206 WeakPolarHBondContact CE1-O 3.06Å
207E97.3Very high96.1Very high77 Ų7755.4 Ų55.436%0.3630%0.298SS..EExtended strand (participates in β ladder)trans-137.9156.4177.6-60.2-172.1119.800110.9F160 C161 D162 K205F160-E207 HydrophobicContact CB-CB 4.12Å; F160-E207 WeakPolarHBondContact CB-OE2 3.48Å; F160-E207 HydrophobicContact CD1-CB 4.35Å; C161-E207 CarbonylContact O-C 3.59Å; C161-E207 WeakPolarHBondContact O-CA 3.47Å; D162-E207 HydrophobicContact CB-CG 4.42Å; K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 WeakPolarHBondContact CB-O 2.72Å; K205-E207 PolarHBondContact O-N 2.89Å
208I98Very high95.8Very high2 Ų259.8 Ų59.81%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-122.6154.717666.4174.9000111.7F151 F160 C161 L166 F199 A202 L212 F213F151-I208 HydrophobicContact CE2-CD1 4.2Å; F151-I208 HydrophobicContact CE2-CG1 4.09Å; F151-I208 HydrophobicContact CZ-CG1 4.34Å; F160-I208 CarbonylContact C-O 3.59Å; C161-I208 HydrophobicContact CB-CG1 4.02Å; C161-I208 PolarHBondContact N-O 3.33Å; C161-I208 PolarHBondContact O-N 3.45Å; L166-I208 HydrophobicContact CD2-CD1 4.34Å; F199-I208 HydrophobicContact CD1-CG2 4.38Å; F199-I208 HydrophobicContact CE1-CG2 3.98Å; F199-I208 HydrophobicContact CE2-CD1 4.13Å; F199-I208 HydrophobicContact CE2-CG1 4.41Å; F199-I208 HydrophobicContact CE2-CG2 4.39Å; F199-I208 HydrophobicContact CZ-CD1 4.36Å; F199-I208 HydrophobicContact CZ-CG1 4.13Å; F199-I208 HydrophobicContact CZ-CG2 3.99Å; A202-I208 HydrophobicContact CB-CG2 3.5Å; A202-I208 VanDerWaalsContact CB-CG2 3.5Å; I208-L212 HydrophobicContact CB-CD2 4.34Å; I208-L212 HydrophobicContact CG2-CD1 4.44Å; I208-L212 HydrophobicContact CG2-CD2 4.06Å; I208-F213 HydrophobicContact CD1-CB 4.26Å
209E97.7Very high95.4Very high109 Ų10965.1 Ų65.151%0.50933%0.334SS..EExtended strand (participates in β ladder)trans-101.5164.1172.8-68.2174.7-158.900111.5F151 F160 A211 L212 F213F151-E209 VanDerWaalsContact CZ-C 3.48Å; F160-E209 HydrophobicContact CD1-CG 3.87Å; F160-E209 HydrophobicContact CE1-CG 3.57Å; F160-E209 WeakPolarHBondContact CE1-OE1 3.37Å; F160-E209 HydrophobicContact CZ-CG 4.34Å; E209-A211 PolarHBondContact O-N 2.98Å; E209-A211 VanDerWaalsContact O-N 3.16Å; E209-L212 PolarHBondContact O-N 3Å; E209-L212 VanDerWaalsContact O-N 3.11Å; E209-F213 PolarHBondContact O-N 2.85Å; E209-F213 VanDerWaalsContact O-N 3.1Å
210A97.4Very high95.1Very high30 Ų3067 Ų6725%0.24834%0.343CS..Hα-helixtrans-55.4-35-179.600000113.7F151 F213 L214F151-A210 HydrophobicContact CD1-CB 3.6Å; F151-A210 HydrophobicContact CE1-CB 3.71Å; F151-A210 VanDerWaalsContact CE1-N 3.29Å; F151-A210 HydrophobicContact CG-CB 4.34Å; A210-F213 PolarHBondContact O-N 3.05Å; A210-L214 VanDerWaalsContact O-CG 3.23Å; A210-L214 WeakPolarHBondContact O-CG 3.31Å; A210-L214 PolarHBondContact O-N 3.01Å
211A97.1Very high94.9Very high56 Ų5661.7 Ų61.746%0.46332%0.32SS..Hα-helixtrans-63.4-45.3178.100000112.2E209 L214 D215E209-A211 PolarHBondContact O-N 2.98Å; E209-A211 VanDerWaalsContact O-N 3.16Å; A211-L214 WeakPolarHBondContact O-CB 3.49Å; A211-L214 PolarHBondContact O-N 3.07Å; A211-D215 PolarHBondContact O-N 3.09Å
212L97.5Very high94.7Very high37 Ų3759.5 Ų59.519%0.19431%0.311CS..Hα-helixtrans-67.3-41.4179.1-163.9159.8000111F201 A202 I208 E209 L214 D215 W216F201-L212 HydrophobicContact CD1-CD2 3.87Å; F201-L212 HydrophobicContact CE1-CD2 4.1Å; A202-L212 HydrophobicContact CB-CD1 3.81Å; A202-L212 HydrophobicContact CB-CD2 3.63Å; A202-L212 HydrophobicContact CB-CG 4.4Å; I208-L212 HydrophobicContact CB-CD2 4.34Å; I208-L212 HydrophobicContact CG2-CD1 4.44Å; I208-L212 HydrophobicContact CG2-CD2 4.06Å; E209-L212 PolarHBondContact O-N 3Å; E209-L212 VanDerWaalsContact O-N 3.11Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 2.84Å; L212-D215 PolarHBondContact O-N 2.98Å; L212-W216 PolarHBondContact O-N 2.96Å
213F97.9Very high94.6Very high3 Ų359.4 Ų59.41%0.01331%0.31CS..Hα-helixtrans-57.5-44172.4173.4-107.8000111.9F151 L166 L169 I208 E209 A210 D215 W216 M217F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.9Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.51Å; F151-F213 HydrophobicContact CD2-CD1 3.51Å; F151-F213 AromaticContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CE1 4.15Å; F151-F213 AromaticContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CE2-CB 3.59Å; F151-F213 HydrophobicContact CE2-CD1 4.4Å; F151-F213 HydrophobicContact CE2-CD2 4.41Å; F151-F213 AromaticContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CG-CB 4.44Å; F151-F213 AromaticContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CE1 4.46Å; F151-F213 HydrophobicContact CG-CG 4.25Å; F151-F213 HydrophobicContact CZ-CB 4.47Å; L166-F213 HydrophobicContact CD1-CD2 3.96Å; L166-F213 HydrophobicContact CD1-CE2 3.74Å; L169-F213 HydrophobicContact CD2-CE2 4.37Å; L169-F213 HydrophobicContact CD2-CZ 3.87Å; I208-F213 HydrophobicContact CD1-CB 4.26Å; E209-F213 PolarHBondContact O-N 2.85Å; E209-F213 VanDerWaalsContact O-N 3.1Å; A210-F213 PolarHBondContact O-N 3.05Å; F213-D215 PolarHBondContact O-N 2.74Å; F213-W216 HydrophobicContact CD2-CE3 4.15Å; F213-W216 HydrophobicContact CE2-CE3 4.14Å; F213-W216 HydrophobicContact CE2-CZ3 4.14Å; F213-W216 PolarHBondContact O-N 3.29Å; F213-M217 HydrophobicContact CD1-CG 4.24Å; F213-M217 HydrophobicContact CD2-CG 4.1Å; F213-M217 HydrophobicContact CE1-CG 3.88Å; F213-M217 HydrophobicContact CE2-CG 3.71Å; F213-M217 HydrophobicContact CE2-SD 3.83Å; F213-M217 HydrophobicContact CG-CG 4.36Å; F213-M217 HydrophobicContact CZ-CE 4.3Å; F213-M217 HydrophobicContact CZ-CG 3.6Å; F213-M217 HydrophobicContact CZ-SD 3.83Å; F213-M217 WeakPolarHBondContact O-CB 3.33Å; F213-M217 WeakPolarHBondContact O-CG 3.5Å; F213-M217 PolarHBondContact O-N 2.98Å
214L96.1Very high94.7Very high5 Ų553.2 Ų53.23%0.02628%0.277CS..Hα-helixtrans-63.1-40.8176.2-71.1173000112.8E144 Y147 R148 A210 A211 L212 W216 M217 R218E144-L214 HydrophobicContact CG-CD1 3.89Å; E144-L214 HydrophobicContact CG-CD2 3.81Å; E144-L214 HydrophobicContact CG-CG 4.47Å; Y147-L214 VanDerWaalsContact CB-CD2 3.43Å; Y147-L214 HydrophobicContact CD2-CD2 3.83Å; Y147-L214 HydrophobicContact CG-CD2 4.16Å; R148-L214 HydrophobicContact CG-CD1 3.82Å; R148-L214 HydrophobicContact CG-CD2 4.4Å; A210-L214 VanDerWaalsContact O-CG 3.23Å; A210-L214 WeakPolarHBondContact O-CG 3.31Å; A210-L214 PolarHBondContact O-N 3.01Å; A211-L214 WeakPolarHBondContact O-CB 3.49Å; A211-L214 PolarHBondContact O-N 3.07Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 2.84Å; L214-W216 VanDerWaalsContact C-N 3.34Å; L214-M217 PolarHBondContact O-N 3.19Å; L214-R218 VanDerWaalsContact O-CG 3.26Å; L214-R218 WeakPolarHBondContact O-CG 3.49Å; L214-R218 PolarHBondContact O-N 3.19Å
215D94.4Very high94.7Very high73 Ų7347.4 Ų47.439%0.3925%0.246SC..Hα-helixtrans-66.5-34175.7-74.8-34000112.9F201 A211 L212 F213 R218F201-D215 HydrophobicContact CE1-CB 4.17Å; F201-D215 HydrophobicContact CZ-CB 4.11Å; A211-D215 PolarHBondContact O-N 3.09Å; L212-D215 PolarHBondContact O-N 2.98Å; F213-D215 PolarHBondContact O-N 2.74Å; D215-R218 IonicContact OD1-CZ 3.74Å; D215-R218 IonicContact OD1-NE 2.74Å; D215-R218 IonicContact OD1-NH1 3.95Å; D215-R218 PolarHBondContact OD1-NH1 3.44Å
216W96Very high94.8Very high5 Ų541.9 Ų41.92%0.01922%0.222CC..Hα-helixtrans-66.8-43.8169.5-179.269.9000111.8L170 S194 C198 F201 L212 F213 L214 R218 L219 P221L170-W216 HydrophobicContact CD1-CH2 4.01Å; L170-W216 HydrophobicContact CD2-CH2 4.26Å; L170-W216 HydrophobicContact CD2-CZ3 4.27Å; S194-W216 WeakPolarHBondContact O-CZ2 3.28Å; C198-W216 HydrophobicContact CB-CD2 3.67Å; C198-W216 HydrophobicContact CB-CE3 4.05Å; C198-W216 HydrophobicContact CB-CG 4.1Å; C198-W216 HydrophobicContact CB-CH2 4.18Å; C198-W216 HydrophobicContact CB-CZ2 3.79Å; C198-W216 HydrophobicContact CB-CZ3 4.3Å; F201-W216 HydrophobicContact CD1-CB 3.73Å; F201-W216 HydrophobicContact CD1-CG 4.27Å; F201-W216 HydrophobicContact CE1-CB 3.86Å; L212-W216 PolarHBondContact O-N 2.96Å; F213-W216 HydrophobicContact CD2-CE3 4.15Å; F213-W216 HydrophobicContact CE2-CE3 4.14Å; F213-W216 HydrophobicContact CE2-CZ3 4.14Å; F213-W216 PolarHBondContact O-N 3.29Å; L214-W216 VanDerWaalsContact C-N 3.34Å; W216-R218 VanDerWaalsContact C-N 3.26Å; W216-R218 PolarHBondContact O-N 2.77Å; W216-L219 VanDerWaalsContact O-CB 3.28Å; W216-L219 WeakPolarHBondContact O-CB 3.04Å; W216-L219 PolarHBondContact O-N 3.16Å; W216-P221 HydrophobicContact CD2-CB 4.34Å; W216-P221 HydrophobicContact CD2-CG 3.99Å; W216-P221 HydrophobicContact CE3-CG 3.93Å; W216-P221 HydrophobicContact CH2-CB 3.76Å; W216-P221 HydrophobicContact CH2-CG 3.7Å; W216-P221 HydrophobicContact CZ2-CB 3.4Å; W216-P221 HydrophobicContact CZ2-CG 3.74Å; W216-P221 HydrophobicContact CZ3-CB 4.36Å; W216-P221 HydrophobicContact CZ3-CG 3.79Å
217M93Very high94.8Very high2 Ų236.6 Ų36.61%0.0119%0.187CC..Hα-helixtrans-66.7-25.2178.9-67.1-66.2-71.300113.2Y147 F213 L214 L219 E220 P221 M224Y147-M217 HydrophobicContact CD1-CE 3.73Å; Y147-M217 HydrophobicContact CD2-CB 3.83Å; Y147-M217 HydrophobicContact CD2-CE 4.44Å; Y147-M217 HydrophobicContact CD2-CG 4.33Å; Y147-M217 HydrophobicContact CE1-CE 3.25Å; Y147-M217 HydrophobicContact CE2-CB 3.58Å; Y147-M217 HydrophobicContact CE2-CE 4.03Å; Y147-M217 HydrophobicContact CE2-CG 4.35Å; Y147-M217 HydrophobicContact CG-CE 4.3Å; F213-M217 HydrophobicContact CD1-CG 4.24Å; F213-M217 HydrophobicContact CD2-CG 4.1Å; F213-M217 HydrophobicContact CE1-CG 3.88Å; F213-M217 HydrophobicContact CE2-CG 3.71Å; F213-M217 HydrophobicContact CE2-SD 3.83Å; F213-M217 HydrophobicContact CG-CG 4.36Å; F213-M217 HydrophobicContact CZ-CE 4.3Å; F213-M217 HydrophobicContact CZ-CG 3.6Å; F213-M217 HydrophobicContact CZ-SD 3.83Å; F213-M217 WeakPolarHBondContact O-CB 3.33Å; F213-M217 WeakPolarHBondContact O-CG 3.5Å; F213-M217 PolarHBondContact O-N 2.98Å; L214-M217 PolarHBondContact O-N 3.19Å; M217-L219 PolarHBondContact O-N 2.87Å; M217-E220 PolarHBondContact O-N 3.38Å; M217-E220 VanDerWaalsContact O-N 3.16Å; M217-P221 HydrophobicContact SD-CG 3.87Å; M217-M224 HydrophobicContact CE-CB 3.63Å; M217-M224 HydrophobicContact CE-CE 3.92Å; M217-M224 HydrophobicContact CE-CG 3.79Å; M217-M224 HydrophobicContact SD-CB 4.19Å; M217-M224 HydrophobicContact SD-CG 4.03Å
218R89.1Confident94.7Very high147 Ų14733.2 Ų33.256%0.55517%0.172SC*.THydrogen-bonded Turntrans-67.2-13.7170.3-74165.4-175.8168.6-2.4113.4E144 L214 D215 W216 E220E144-R218 IonicContact OE1-NH2 2.78Å; E144-R218 IonicContact OE2-CZ 3.39Å; E144-R218 IonicContact OE2-NE 3.37Å; E144-R218 IonicContact OE2-NH2 2.72Å; E144-R218 PolarHBondContact OE2-NH2 3.22Å; L214-R218 VanDerWaalsContact O-CG 3.26Å; L214-R218 WeakPolarHBondContact O-CG 3.49Å; L214-R218 PolarHBondContact O-N 3.19Å; D215-R218 IonicContact OD1-CZ 3.74Å; D215-R218 IonicContact OD1-NE 2.74Å; D215-R218 IonicContact OD1-NH1 3.95Å; D215-R218 PolarHBondContact OD1-NH1 3.44Å; W216-R218 VanDerWaalsContact C-N 3.26Å; W216-R218 PolarHBondContact O-N 2.77Å; R218-E220 VanDerWaalsContact C-N 3.31Å
219L88.8Confident94.6Very high111 Ų11133.1 Ų33.158%0.58117%0.172SC*.THydrogen-bonded Turntrans-84.9-0171.8-54.8179.3000113.6F201 W216 M217F201-L219 HydrophobicContact CD2-CD1 3.96Å; F201-L219 HydrophobicContact CE2-CD1 3.81Å; F201-L219 HydrophobicContact CZ-CD1 4.39Å; W216-L219 VanDerWaalsContact O-CB 3.28Å; W216-L219 WeakPolarHBondContact O-CB 3.04Å; W216-L219 PolarHBondContact O-N 3.16Å; M217-L219 PolarHBondContact O-N 2.87Å
220E91.2Very high94.5Very high43 Ų4328 Ų2820%0.20115%0.148CC..  trans52.559.4-174.7-50.5-152.7128.600113.8M217 R218 V225 P228 R232M217-E220 PolarHBondContact O-N 3.38Å; M217-E220 VanDerWaalsContact O-N 3.16Å; R218-E220 VanDerWaalsContact C-N 3.31Å; E220-V225 HydrophobicContact CB-CB 4.32Å; E220-V225 HydrophobicContact CB-CG2 3.94Å; E220-P228 HydrophobicContact CG-CG 4.26Å; E220-P228 VanDerWaalsContact OE1-CB 3.25Å; E220-P228 WeakPolarHBondContact OE1-CB 3.47Å; E220-P228 WeakPolarHBondContact OE1-CG 3.47Å; E220-R232 IonicContact OE1-CZ 3.22Å; E220-R232 IonicContact OE1-NH1 3.35Å; E220-R232 PolarHBondContact OE1-NH1 3.02Å; E220-R232 IonicContact OE1-NH2 3.43Å; E220-R232 PolarHBondContact OE1-NH2 2.69Å; E220-R232 IonicContact OE2-CZ 3.9Å; E220-R232 IonicContact OE2-NH1 2.7Å; E220-R232 IonicContact OE2-NH2 3.53Å; E220-R232 PolarHBondContact OE2-NH2 2.97Å; E220-R232 VanDerWaalsContact OE2-NH2 3.07Å
221P92.6Very high94.3Very high16 Ų1628.6 Ų28.610%0.10415%0.145CC..  trans-60.8144.4-176.725.1-33.3000112.2W216 M217 S223 M224 V225W216-P221 HydrophobicContact CD2-CB 4.34Å; W216-P221 HydrophobicContact CD2-CG 3.99Å; W216-P221 HydrophobicContact CE3-CG 3.93Å; W216-P221 HydrophobicContact CH2-CB 3.76Å; W216-P221 HydrophobicContact CH2-CG 3.7Å; W216-P221 HydrophobicContact CZ2-CB 3.4Å; W216-P221 HydrophobicContact CZ2-CG 3.74Å; W216-P221 HydrophobicContact CZ3-CB 4.36Å; W216-P221 HydrophobicContact CZ3-CG 3.79Å; M217-P221 HydrophobicContact SD-CG 3.87Å; P221-S223 VanDerWaalsContact C-N 3.28Å; P221-S223 PolarHBondContact O-N 3.4Å; P221-S223 VanDerWaalsContact O-N 3.09Å; P221-M224 HydrophobicContact CG-CB 4.35Å; P221-M224 PolarHBondContact O-N 3.11Å; P221-V225 PolarHBondContact O-N 2.79Å
222Q89.3Confident94.1Very high47 Ų4728 Ų2822%0.2213%0.131CC..THydrogen-bonded Turntrans-58.5-32.2-164-16165.537.200114.5S185 F186 M224 G325 V329S185-Q222 PolarHBondContact O-NE2 3.02Å; F186-Q222 VanDerWaalsContact CA-O 3.32Å; F186-Q222 WeakPolarHBondContact CA-O 3.3Å; F186-Q222 WeakPolarHBondContact CB-O 3.32Å; F186-Q222 VanDerWaalsContact CD1-O 3.32Å; F186-Q222 WeakPolarHBondContact CD1-O 3.22Å; F186-Q222 CarbonylContact O-C 3.46Å; Q222-M224 VanDerWaalsContact C-N 3.26Å; Q222-M224 PolarHBondContact O-N 3.17Å; Q222-G325 PolarHBondContact OE1-O 2.93Å; Q222-V329 HydrophobicContact CG-CG2 4.03Å
223S94Very high94Very high2 Ų226.7 Ų26.71%0.01413%0.125CC..THydrogen-bonded Turntrans-70.6-18.3176.443.40000114.3F186 S194 P221 W226F186-S223 VanDerWaalsContact O-CA 3.25Å; F186-S223 WeakPolarHBondContact O-CA 3.35Å; F186-S223 PolarHBondContact O-N 3.21Å; S194-S223 VanDerWaalsContact CB-OG 3.28Å; S194-S223 WeakPolarHBondContact CB-OG 3.39Å; S194-S223 WeakPolarHBondContact OG-CB 3.42Å; S194-S223 PolarHBondContact OG-OG 3.06Å; P221-S223 VanDerWaalsContact C-N 3.28Å; P221-S223 PolarHBondContact O-N 3.4Å; P221-S223 VanDerWaalsContact O-N 3.09Å; S223-W226 PolarHBondContact O-NE1 2.7Å
224M96.2Very high93.7Very high4 Ų428 Ų282%0.0214%0.136CC..THydrogen-bonded Turntrans-122.1-11.1-171.7-61.3-59.6-6700114.4L170 S173 M217 P221 Q222 W226 L227 P228L170-M224 HydrophobicContact CD2-CG 3.69Å; L170-M224 HydrophobicContact CD2-SD 3.72Å; S173-M224 WeakPolarHBondContact CB-SD 3.28Å; M217-M224 HydrophobicContact CE-CB 3.63Å; M217-M224 HydrophobicContact CE-CE 3.92Å; M217-M224 HydrophobicContact CE-CG 3.79Å; M217-M224 HydrophobicContact SD-CB 4.19Å; M217-M224 HydrophobicContact SD-CG 4.03Å; P221-M224 HydrophobicContact CG-CB 4.35Å; P221-M224 PolarHBondContact O-N 3.11Å; Q222-M224 VanDerWaalsContact C-N 3.26Å; Q222-M224 PolarHBondContact O-N 3.17Å; M224-W226 HydrophobicContact CE-CZ2 4.43Å; M224-W226 PolarHBondContact O-N 3.48Å; M224-L227 HydrophobicContact CE-CD2 4.4Å; M224-L227 PolarHBondContact O-N 2.99Å; M224-P228 WeakPolarHBondContact O-CD 3.47Å
225V95.3Very high93.3Very high0 Ų029.4 Ų29.40%015%0.148CC..THydrogen-bonded Turntrans-56.6-19.9-174.964.30000114.8A37 F186 E220 P221 L227 P228 V229A37-V225 HydrophobicContact CB-CG1 4.43Å; A37-V225 HydrophobicContact CB-CG2 4.48Å; F186-V225 HydrophobicContact CD1-CG1 3.89Å; F186-V225 HydrophobicContact CE1-CG1 3.87Å; E220-V225 HydrophobicContact CB-CB 4.32Å; E220-V225 HydrophobicContact CB-CG2 3.94Å; P221-V225 PolarHBondContact O-N 2.79Å; V225-L227 VanDerWaalsContact C-N 3.27Å; V225-L227 PolarHBondContact O-N 3.46Å; V225-P228 WeakPolarHBondContact O-CD 3.47Å; V225-P228 WeakPolarHBondContact O-CG 3.36Å; V225-V229 HydrophobicContact CG2-CG2 4.07Å; V225-V229 WeakPolarHBondContact O-CB 3.43Å; V225-V229 WeakPolarHBondContact O-CG2 3.35Å; V225-V229 PolarHBondContact O-N 3.44Å
226W96.8Very high93.1Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-60.5-33.2170.658.5-92.5000113.4T40 L44 S173 I176 P177 F186 S223 M224 L230T40-W226 HydrophobicContact CG2-CB 4.15Å; L44-W226 HydrophobicContact CD1-CD2 4.26Å; L44-W226 HydrophobicContact CD1-CE3 3.43Å; L44-W226 VanDerWaalsContact CD1-CE3 3.43Å; L44-W226 HydrophobicContact CD1-CZ3 3.96Å; S173-W226 WeakPolarHBondContact O-CZ2 3.38Å; I176-W226 HydrophobicContact CB-CH2 4.23Å; I176-W226 HydrophobicContact CB-CZ2 4.41Å; I176-W226 HydrophobicContact CD1-CH2 3.74Å; I176-W226 HydrophobicContact CD1-CZ2 4.34Å; I176-W226 HydrophobicContact CG2-CH2 4.14Å; I176-W226 HydrophobicContact CG2-CZ3 4.09Å; P177-W226 HydrophobicContact CG-CG 4.48Å; F186-W226 HydrophobicContact CD1-CB 4.43Å; F186-W226 HydrophobicContact CE1-CB 3.75Å; F186-W226 HydrophobicContact CE1-CG 4.4Å; F186-W226 HydrophobicContact CZ-CB 3.84Å; S223-W226 PolarHBondContact O-NE1 2.7Å; M224-W226 HydrophobicContact CE-CZ2 4.43Å; M224-W226 PolarHBondContact O-N 3.48Å; W226-L230 WeakPolarHBondContact O-CB 3.46Å; W226-L230 PolarHBondContact O-N 3.48Å
227L96.3Very high92.8Very high0 Ų029.5 Ų29.50%015%0.147CC..Hα-helixtrans-75.5-48.6-176.3-173.748.9000113.8S137 L143 Y147 M224 V225 V229 L230 H231S137-L227 WeakPolarHBondContact O-CD1 3.42Å; L143-L227 HydrophobicContact CD1-CG 3.98Å; Y147-L227 HydrophobicContact CD1-CD2 4.49Å; Y147-L227 HydrophobicContact CE1-CD2 3.92Å; Y147-L227 HydrophobicContact CE1-CG 4.31Å; M224-L227 HydrophobicContact CE-CD2 4.4Å; M224-L227 PolarHBondContact O-N 2.99Å; V225-L227 VanDerWaalsContact C-N 3.27Å; V225-L227 PolarHBondContact O-N 3.46Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 PolarHBondContact O-N 3.42Å; L227-L230 HydrophobicContact CD1-CD2 4.29Å; L227-L230 WeakPolarHBondContact O-CB 3.28Å; L227-L230 PolarHBondContact O-N 3.25Å; L227-H231 WeakPolarHBondContact CD1-NE2 3.26Å; L227-H231 PolarHBondContact O-CD2 3.45Å; L227-H231 PolarHBondContact O-N 3.17Å
228P94.8Very high92.4Very high6 Ų635.2 Ų35.24%0.03918%0.182CC..Hα-helixtrans-65.2-32.5172.327-33.9000112L143 E220 M224 V225 H231 R232L143-P228 HydrophobicContact CD1-CB 4.45Å; L143-P228 HydrophobicContact CD2-CB 3.75Å; E220-P228 HydrophobicContact CG-CG 4.26Å; E220-P228 VanDerWaalsContact OE1-CB 3.25Å; E220-P228 WeakPolarHBondContact OE1-CB 3.47Å; E220-P228 WeakPolarHBondContact OE1-CG 3.47Å; M224-P228 WeakPolarHBondContact O-CD 3.47Å; V225-P228 WeakPolarHBondContact O-CD 3.47Å; V225-P228 WeakPolarHBondContact O-CG 3.36Å; P228-H231 PolarHBondContact O-N 3.36Å; P228-R232 PolarHBondContact O-N 3.44Å; P228-R232 PolarHBondContact O-NH1 3.41Å
229V94.9Very high92.4Very high0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-68.8-36.2174.9-1790000111.4A37 Y38 A41 V225 L227 H231 R232 V233A37-V229 HydrophobicContact CB-CG2 4.19Å; Y38-V229 HydrophobicContact CD1-CG1 3.53Å; Y38-V229 HydrophobicContact CD2-CG1 4.31Å; Y38-V229 HydrophobicContact CE1-CG1 3.68Å; Y38-V229 HydrophobicContact CE2-CG1 4.41Å; Y38-V229 HydrophobicContact CG-CG1 3.86Å; A41-V229 HydrophobicContact CB-CB 4.04Å; A41-V229 HydrophobicContact CB-CG1 3.6Å; V225-V229 HydrophobicContact CG2-CG2 4.07Å; V225-V229 WeakPolarHBondContact O-CB 3.43Å; V225-V229 WeakPolarHBondContact O-CG2 3.35Å; V225-V229 PolarHBondContact O-N 3.44Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 PolarHBondContact O-N 3.42Å; V229-H231 VanDerWaalsContact C-N 3.31Å; V229-H231 PolarHBondContact O-N 2.72Å; V229-R232 PolarHBondContact O-N 2.84Å; V229-R232 VanDerWaalsContact O-N 3.16Å; V229-V233 HydrophobicContact CG1-CG2 4.36Å; V229-V233 WeakPolarHBondContact O-CG2 3.31Å; V229-V233 PolarHBondContact O-N 2.93Å
230L96.6Very high92.4Very high1 Ų128.5 Ų28.51%0.00515%0.152CC..Hα-helixtrans-57-42170.817262.3000112A41 L44 R45 L138 W226 L227 V233 A234A41-L230 HydrophobicContact CB-CB 4.25Å; A41-L230 WeakPolarHBondContact O-CD1 3.25Å; L44-L230 HydrophobicContact CB-CD1 4.13Å; L44-L230 HydrophobicContact CB-CD2 4.25Å; R45-L230 HydrophobicContact CB-CD1 3.83Å; L138-L230 HydrophobicContact CD2-CD2 3.73Å; W226-L230 WeakPolarHBondContact O-CB 3.46Å; W226-L230 PolarHBondContact O-N 3.48Å; L227-L230 HydrophobicContact CD1-CD2 4.29Å; L227-L230 WeakPolarHBondContact O-CB 3.28Å; L227-L230 PolarHBondContact O-N 3.25Å; L230-V233 PolarHBondContact O-N 3.44Å; L230-A234 WeakPolarHBondContact O-CB 3.2Å; L230-A234 PolarHBondContact O-N 3.05Å
231H92.9Very high92.2Very high43 Ų4326.5 Ų26.520%0.19914%0.143CC..Hα-helixtrans-67.4-38.6175.6-75.6-126.9000112.1A141 H142 L143 K146 L227 P228 V229 A234 A235A141-H231 VanDerWaalsContact C-CE1 3.44Å; A141-H231 PolarHBondContact O-CE1 2.76Å; H142-H231 PolarHBondContact O-CE1 3.24Å; L143-H231 WeakPolarHBondContact CA-CE1 3.29Å; L143-H231 PolarHBondContact N-CE1 2.79Å; K146-H231 WeakPolarHBondContact CD-CE1 3.28Å; K146-H231 WeakPolarHBondContact CD-NE2 3.48Å; K146-H231 WeakPolarHBondContact CE-CE1 3.32Å; K146-H231 WeakPolarHBondContact CE-NE2 3.23Å; K146-H231 PolarHBondContact NZ-NE2 3.2Å; L227-H231 WeakPolarHBondContact CD1-NE2 3.26Å; L227-H231 PolarHBondContact O-CD2 3.45Å; L227-H231 PolarHBondContact O-N 3.17Å; P228-H231 PolarHBondContact O-N 3.36Å; V229-H231 VanDerWaalsContact C-N 3.31Å; V229-H231 PolarHBondContact O-N 2.72Å; H231-A234 PolarHBondContact O-N 3.45Å; H231-A235 PolarHBondContact O-N 2.73Å
232R93.1Very high92.1Very high44 Ų4433.3 Ų33.317%0.16617%0.173CC..Hα-helixtrans-65.7-39.3174.2-66.7-160-63.2-83.225.3112.6E220 P228 V229 A235 A236 F256 E290 C292E220-R232 IonicContact OE1-CZ 3.22Å; E220-R232 IonicContact OE1-NH1 3.35Å; E220-R232 PolarHBondContact OE1-NH1 3.02Å; E220-R232 IonicContact OE1-NH2 3.43Å; E220-R232 PolarHBondContact OE1-NH2 2.69Å; E220-R232 IonicContact OE2-CZ 3.9Å; E220-R232 IonicContact OE2-NH1 2.7Å; E220-R232 IonicContact OE2-NH2 3.53Å; E220-R232 PolarHBondContact OE2-NH2 2.97Å; E220-R232 VanDerWaalsContact OE2-NH2 3.07Å; P228-R232 PolarHBondContact O-N 3.44Å; P228-R232 PolarHBondContact O-NH1 3.41Å; V229-R232 PolarHBondContact O-N 2.84Å; V229-R232 VanDerWaalsContact O-N 3.16Å; R232-A235 PolarHBondContact O-N 3.35Å; R232-A236 VanDerWaalsContact O-CB 3.29Å; R232-A236 WeakPolarHBondContact O-CB 3.42Å; R232-A236 PolarHBondContact O-N 2.8Å; R232-F256 HydrophobicContact CB-CE1 3.91Å; R232-F256 HydrophobicContact CB-CZ 3.95Å; R232-F256 WeakPolarHBondContact O-CZ 3.49Å; R232-E290 VanDerWaalsContact CD-OE1 3.25Å; R232-E290 WeakPolarHBondContact CD-OE1 3.48Å; R232-E290 IonicContact CZ-OE1 2.91Å; R232-E290 IonicContact NE-OE1 3.66Å; R232-E290 PolarHBondContact NE-OE1 2.97Å; R232-E290 IonicContact NH2-OE1 3.69Å; R232-C292 HydrophobicContact CB-CB 4.29Å
233V93.8Very high92.1Very high9 Ų931.4 Ų31.46%0.05517%0.165CC..Hα-helixtrans-61-47.8173.2170.60000110.2Y38 A41 M42 R45 V229 L230 A235 A236 E237 F256Y38-V233 HydrophobicContact CD1-CG2 4.43Å; A41-V233 HydrophobicContact CB-CG2 3.83Å; M42-V233 HydrophobicContact CG-CG1 4.06Å; M42-V233 HydrophobicContact CG-CG2 4.15Å; R45-V233 HydrophobicContact CB-CG1 4.03Å; R45-V233 HydrophobicContact CG-CG1 4.05Å; V229-V233 HydrophobicContact CG1-CG2 4.36Å; V229-V233 WeakPolarHBondContact O-CG2 3.31Å; V229-V233 PolarHBondContact O-N 2.93Å; L230-V233 PolarHBondContact O-N 3.44Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 3.46Å; V233-A236 PolarHBondContact O-N 2.91Å; V233-E237 WeakPolarHBondContact O-CG 3.13Å; V233-E237 PolarHBondContact O-N 3.17Å; V233-F256 HydrophobicContact CB-CE2 4.47Å; V233-F256 HydrophobicContact CG2-CE2 3.92Å; V233-F256 HydrophobicContact CG2-CZ 4.02Å
234A92.1Very high92.1Very high30 Ų3037.2 Ų37.225%0.24819%0.19CC..Hα-helixtrans-62.3-37.2178.900000113.2L230 H231L230-A234 WeakPolarHBondContact O-CB 3.2Å; L230-A234 PolarHBondContact O-N 3.05Å; H231-A234 PolarHBondContact O-N 3.45Å
235A88.3Confident92Very high35 Ų3537 Ų3729%0.28919%0.19SC..Hα-helixtrans-69.6-40.4173.700000112.5H231 R232 V233 E237 C292 T293H231-A235 PolarHBondContact O-N 2.73Å; R232-A235 PolarHBondContact O-N 3.35Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 3.46Å; A235-E237 VanDerWaalsContact C-N 3.31Å; A235-E237 PolarHBondContact O-N 3.07Å; A235-C292 CarbonylContact C-O 3.58Å; A235-C292 HydrophobicContact CB-CB 4.48Å; A235-C292 WeakPolarHBondContact CB-O 3.43Å; A235-T293 HydrophobicContact CB-CG2 4.39Å
236A90.5Very high91.9Very high1 Ų139.1 Ų39.11%0.00820%0.201CC..Hα-helixtrans-65.1-30.7-177.800000113.2R232 V233 T238 A239 G255 F256 C292R232-A236 VanDerWaalsContact O-CB 3.29Å; R232-A236 WeakPolarHBondContact O-CB 3.42Å; R232-A236 PolarHBondContact O-N 2.8Å; V233-A236 PolarHBondContact O-N 2.91Å; A236-T238 PolarHBondContact O-N 3.23Å; A236-A239 WeakPolarHBondContact O-CB 3.45Å; A236-A239 PolarHBondContact O-N 3.19Å; A236-G255 VanDerWaalsContact O-CA 3.28Å; A236-G255 WeakPolarHBondContact O-CA 3.35Å; A236-F256 HydrophobicContact CB-CD1 4.02Å; A236-F256 HydrophobicContact CB-CD2 3.68Å; A236-F256 HydrophobicContact CB-CE1 4.05Å; A236-F256 HydrophobicContact CB-CE2 3.68Å; A236-F256 HydrophobicContact CB-CG 3.86Å; A236-F256 HydrophobicContact CB-CZ 3.89Å; A236-C292 WeakPolarHBondContact CA-O 3.22Å; A236-C292 HydrophobicContact CB-CB 4.07Å; A236-C292 PolarHBondContact N-O 3.23Å
237E88.8Confident91.7Very high78 Ų7840.7 Ų40.736%0.36421%0.209SC..THydrogen-bonded Turntrans-53.5-30.2-178.1-76.5179154.400114.7R45 K49 V233 A235R45-E237 VanDerWaalsContact CG-OE1 3.28Å; R45-E237 WeakPolarHBondContact CG-OE1 3.33Å; R45-E237 IonicContact CZ-OE2 3.06Å; R45-E237 VanDerWaalsContact CZ-OE2 3.22Å; R45-E237 IonicContact NE-OE1 2.71Å; R45-E237 PolarHBondContact NE-OE1 3.05Å; R45-E237 IonicContact NE-OE2 2.81Å; R45-E237 PolarHBondContact NE-OE2 3.22Å; R45-E237 IonicContact NH2-OE2 3.23Å; R45-E237 PolarHBondContact NH2-OE2 2.7Å; K49-E237 WeakPolarHBondContact CE-OE2 3.32Å; K49-E237 IonicContact NZ-OE1 3.55Å; K49-E237 PolarHBondContact NZ-OE1 3.18Å; K49-E237 IonicContact NZ-OE2 3.54Å; K49-E237 PolarHBondContact NZ-OE2 2.92Å; V233-E237 WeakPolarHBondContact O-CG 3.13Å; V233-E237 PolarHBondContact O-N 3.17Å; A235-E237 VanDerWaalsContact C-N 3.31Å; A235-E237 PolarHBondContact O-N 3.07Å
238T85.6Confident91.6Very high122 Ų12243.2 Ų43.275%0.74823%0.226SC*.THydrogen-bonded Turntrans-107.2-0.717758.80000113.3A236A236-T238 PolarHBondContact O-N 3.23Å
239A88.1Confident91.6Very high0 Ų049 Ų490%025%0.25CS..  trans-73130.918000000111.5A236 I254 G255A236-A239 WeakPolarHBondContact O-CB 3.45Å; A236-A239 PolarHBondContact O-N 3.19Å; A239-I254 WeakPolarHBondContact O-CA 3.31Å; A239-G255 PolarHBondContact O-N 3.07Å; A239-G255 VanDerWaalsContact O-N 3.07Å
240K89.2Confident91.5Very high118 Ų11853.2 Ų53.251%0.51327%0.27SS..EExtended strand (participates in β ladder)trans-129.1121.4176.6-175.8-178-178.2-178.10108.7P252K240-P252 HydrophobicContact CG-CB 4.18Å; K240-P252 HydrophobicContact CG-CG 4.24Å
241H88Confident91.3Very high0 Ų056.8 Ų56.80%029%0.294CS..EExtended strand (participates in β ladder)trans-113.2129.2-179.8-59.4-90.6000110.3A243 P252 I253 R257 T293 T295H241-A243 HydrophobicContact CB-CB 4.27Å; H241-A243 PolarHBondContact O-N 3.3Å; H241-P252 WeakPolarHBondContact O-CA 3.32Å; H241-P252 WeakPolarHBondContact O-CB 3.27Å; H241-I253 HydrophobicContact CB-CB 4.33Å; H241-I253 PolarHBondContact N-O 2.85Å; H241-I253 PolarHBondContact O-N 3Å; H241-R257 HydrophobicContact CB-CB 4.48Å; H241-T293 PolarHBondContact CE1-O 2.78Å; H241-T295 PolarHBondContact ND1-OG1 2.74Å
242Q89.9Confident91.2Very high160 Ų16056.6 Ų56.675%0.74830%0.297SS*.SBendtrans-75.960.3172.6-56.9-6829.800110.6
243A89.8Confident91.2Very high7 Ų754.5 Ų54.56%0.05829%0.289CS..  trans-135.1154.1-176.900000109.4H241 C251 I253H241-A243 HydrophobicContact CB-CB 4.27Å; H241-A243 PolarHBondContact O-N 3.3Å; A243-C251 PolarHBondContact O-SG 3.2Å; A243-I253 HydrophobicContact CB-CD1 4.18Å; A243-I253 PolarHBondContact O-N 3.31Å
244K93.3Very high91Very high124 Ų12459.1 Ų59.154%0.53931%0.312SS..  trans-112.7123.4-178.7-178164.6-171.5167.50109.9N246 K249 E250 C251K244-N246 PolarHBondContact O-N 3.08Å; K244-N246 PolarHBondContact O-OD1 3.33Å; K244-K249 WeakPolarHBondContact CE-O 3.47Å; K244-E250 CarbonylContact C-O 3.59Å; K244-E250 WeakPolarHBondContact CA-O 3.13Å; K244-C251 HydrophobicContact CB-CB 3.92Å; K244-C251 HydrophobicContact CD-CB 4.35Å; K244-C251 HydrophobicContact CG-CB 3.97Å
245C93.9Very high91Very high0 Ų057.9 Ų57.90%030%0.302CS..  trans-63.5121.9179.2178.50000110.8I247 C248 K249 E250 I253 C269C245-I247 PolarHBondContact O-N 3.48Å; C245-I247 VanDerWaalsContact O-N 3.1Å; C245-C248 VanDerWaalsContact CB-SG 3.51Å; C245-C248 PolarHBondContact SG-SG 3.4Å; C245-K249 WeakPolarHBondContact O-CA 3.25Å; C245-K249 PolarHBondContact O-N 3.04Å; C245-E250 HydrophobicContact CB-CB 4.48Å; C245-E250 PolarHBondContact N-O 3.47Å; C245-I253 HydrophobicContact CB-CD1 4.16Å; C245-I253 HydrophobicContact CB-CG1 4.28Å; C245-C269 HydrophobicContact CB-CB 4.12Å; C245-C269 PolarHBondContact SG-N 2.88Å; C245-C269 VanDerWaalsContact SG-N 3.4Å
246N93.4Very high91.2Very high44 Ų4456.3 Ų56.324%0.23529%0.289CS..THydrogen-bonded Turntrans-66.5-14.7-178.1-67.863.4000113K244 K249 N265 Y266 D267K244-N246 PolarHBondContact O-N 3.08Å; K244-N246 PolarHBondContact O-OD1 3.33Å; N246-K249 PolarHBondContact O-NZ 2.92Å; N246-N265 PolarHBondContact ND2-O 3.09Å; N246-Y266 HydrophobicContact CB-CD1 4.36Å; N246-Y266 HydrophobicContact CB-CD2 3.86Å; N246-Y266 HydrophobicContact CB-CE1 4.2Å; N246-Y266 HydrophobicContact CB-CE2 3.7Å; N246-Y266 HydrophobicContact CB-CG 4.19Å; N246-D267 PolarHBondContact N-O 2.69Å; N246-D267 PolarHBondContact OD1-N 3.09Å; N246-D267 PolarHBondContact OD1-O 2.81Å; N246-D267 VanDerWaalsContact OD1-O 3.1Å
247I92.4Very high91.2Very high32 Ų3256.6 Ų56.616%0.16429%0.29CS..THydrogen-bonded Turntrans-93.1-76.8176.6-66.2156.4000111C245 K249 I268 C272 R277 A279C245-I247 PolarHBondContact O-N 3.48Å; C245-I247 VanDerWaalsContact O-N 3.1Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 2.84Å; I247-I268 HydrophobicContact CD1-CD1 4.01Å; I247-I268 HydrophobicContact CD1-CG1 4.08Å; I247-I268 HydrophobicContact CD1-CG2 3.84Å; I247-C272 HydrophobicContact CB-CB 4.27Å; I247-C272 HydrophobicContact CD1-CB 4.2Å; I247-C272 HydrophobicContact CG2-CB 4.26Å; I247-R277 WeakPolarHBondContact CD1-O 3.44Å; I247-R277 HydrophobicContact CG2-CB 4Å; I247-A279 HydrophobicContact CG1-CB 3.99Å
248C93.6Very high91.2Very high53 Ų5352.9 Ų52.936%0.35827%0.273SS..THydrogen-bonded Turntrans-76.9-7.8-175.559.50000115C245 E250 C269 C272C245-C248 VanDerWaalsContact CB-SG 3.51Å; C245-C248 PolarHBondContact SG-SG 3.4Å; C248-E250 PolarHBondContact O-N 3.27Å; C248-E250 VanDerWaalsContact O-N 3.13Å; C248-E250 WeakPolarHBondContact SG-CB 3.37Å; C248-E250 PolarHBondContact SG-OE2 3.39Å; C248-E250 VanDerWaalsContact SG-OE2 3.37Å; C248-C269 PolarHBondContact SG-SG 2.97Å; C248-C272 VanDerWaalsContact SG-SG 3.6Å
249K94.7Very high91.3Very high127 Ų12748.1 Ų48.155%0.55224%0.241SC*.  trans65.34-177.6-45.2-52.3-176.4-1760115.8K244 C245 N246 I247K244-K249 WeakPolarHBondContact CE-O 3.47Å; C245-K249 WeakPolarHBondContact O-CA 3.25Å; C245-K249 PolarHBondContact O-N 3.04Å; N246-K249 PolarHBondContact O-NZ 2.92Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 2.84Å
250E93.6Very high91.2Very high89 Ų8948.1 Ų48.142%0.41624%0.241SC..  trans-52.6135.3168.8-173.1174.1-156.200111.6K244 C245 C248 C269K244-E250 CarbonylContact C-O 3.59Å; K244-E250 WeakPolarHBondContact CA-O 3.13Å; C245-E250 HydrophobicContact CB-CB 4.48Å; C245-E250 PolarHBondContact N-O 3.47Å; C248-E250 PolarHBondContact O-N 3.27Å; C248-E250 VanDerWaalsContact O-N 3.13Å; C248-E250 WeakPolarHBondContact SG-CB 3.37Å; C248-E250 PolarHBondContact SG-OE2 3.39Å; C248-E250 VanDerWaalsContact SG-OE2 3.37Å; E250-C269 PolarHBondContact OE2-SG 3.32Å
251C91.3Very high90.8Very high76 Ų7643.6 Ų43.651%0.51422%0.222SC..SBendtrans-160.2132.1-178.1-175.60000108.4A243 K244A243-C251 PolarHBondContact O-SG 3.2Å; K244-C251 HydrophobicContact CB-CB 3.92Å; K244-C251 HydrophobicContact CD-CB 4.35Å; K244-C251 HydrophobicContact CG-CB 3.97Å
252P91.4Very high90.4Very high39 Ų3948 Ų4825%0.25324%0.241SC..SBendcis-65.5157.7-7.128.5-34.1000112.2K240 H241 I254K240-P252 HydrophobicContact CG-CB 4.18Å; K240-P252 HydrophobicContact CG-CG 4.24Å; H241-P252 WeakPolarHBondContact O-CA 3.32Å; H241-P252 WeakPolarHBondContact O-CB 3.27Å; P252-I254 PolarHBondContact O-N 3.32Å
253I92.6Very high89.9Confident0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-75.1124.7168.9-67.1174.5000108.1H241 A243 C245 R257 D267 C269H241-I253 HydrophobicContact CB-CB 4.33Å; H241-I253 PolarHBondContact N-O 2.85Å; H241-I253 PolarHBondContact O-N 3Å; A243-I253 HydrophobicContact CB-CD1 4.18Å; A243-I253 PolarHBondContact O-N 3.31Å; C245-I253 HydrophobicContact CB-CD1 4.16Å; C245-I253 HydrophobicContact CB-CG1 4.28Å; I253-R257 HydrophobicContact CD1-CG 4.46Å; I253-R257 HydrophobicContact CG2-CB 4.33Å; I253-D267 HydrophobicContact CD1-CB 4.07Å; I253-C269 HydrophobicContact CB-CB 4.47Å; I253-C269 HydrophobicContact CD1-CB 4.27Å; I253-C269 HydrophobicContact CG1-CB 4.03Å; I253-C269 HydrophobicContact CG2-CB 3.8Å
254I91.1Very high89.3Confident107 Ų10748.7 Ų48.755%0.54924%0.241SC..EExtended strand (participates in β ladder)trans-108143.7171.5-55.1174.6000107.5A239 P252A239-I254 WeakPolarHBondContact O-CA 3.31Å; P252-I254 PolarHBondContact O-N 3.32Å
255G91.5Very high88.7Confident4 Ų447.3 Ų47.34%0.04124%0.24CC..SBendtrans80.1-158-169.500000111.9A236 A239 R257A236-G255 VanDerWaalsContact O-CA 3.28Å; A236-G255 WeakPolarHBondContact O-CA 3.35Å; A239-G255 PolarHBondContact O-N 3.07Å; A239-G255 VanDerWaalsContact O-N 3.07Å; G255-R257 PolarHBondContact O-N 3.33Å
256F91.4Very high88.4Confident1 Ų148.3 Ų48.30%0.00424%0.244CC..  trans-60.4134.2-179.4-70.3-84.4000113.5Y38 R232 V233 A236 Y258 Q270 F274 E290 C292Y38-F256 HydrophobicContact CD1-CE2 4.2Å; Y38-F256 HydrophobicContact CD1-CZ 4.12Å; Y38-F256 HydrophobicContact CE1-CE1 4.08Å; Y38-F256 HydrophobicContact CE1-CE2 4.22Å; Y38-F256 AromaticContact CE1-CZ 3.76Å; Y38-F256 HydrophobicContact CE1-CZ 3.76Å; R232-F256 HydrophobicContact CB-CE1 3.91Å; R232-F256 HydrophobicContact CB-CZ 3.95Å; R232-F256 WeakPolarHBondContact O-CZ 3.49Å; V233-F256 HydrophobicContact CB-CE2 4.47Å; V233-F256 HydrophobicContact CG2-CE2 3.92Å; V233-F256 HydrophobicContact CG2-CZ 4.02Å; A236-F256 HydrophobicContact CB-CD1 4.02Å; A236-F256 HydrophobicContact CB-CD2 3.68Å; A236-F256 HydrophobicContact CB-CE1 4.05Å; A236-F256 HydrophobicContact CB-CE2 3.68Å; A236-F256 HydrophobicContact CB-CG 3.86Å; A236-F256 HydrophobicContact CB-CZ 3.89Å; F256-Y258 HydrophobicContact CB-CD2 4.22Å; F256-Y258 HydrophobicContact CB-CE2 3.42Å; F256-Y258 VanDerWaalsContact CB-CE2 3.42Å; F256-Y258 HydrophobicContact CG-CE2 4.21Å; F256-Y258 WeakPolarHBondContact CG-OH 3.34Å; F256-Q270 HydrophobicContact CB-CB 4.09Å; F256-Q270 HydrophobicContact CB-CG 4.4Å; F256-Q270 HydrophobicContact CD2-CG 4.06Å; F256-Q270 VanDerWaalsContact N-OE1 3.14Å; F256-Q270 PolarHBondContact O-N 3.28Å; F256-F274 AromaticContact CD2-CZ 3.92Å; F256-F274 HydrophobicContact CD2-CZ 3.92Å; F256-F274 HydrophobicContact CE2-CZ 4.08Å; F256-E290 HydrophobicContact CD1-CG 3.6Å; F256-E290 WeakPolarHBondContact CD1-OE2 3.06Å; F256-E290 HydrophobicContact CE1-CG 3.94Å; F256-E290 VanDerWaalsContact CE1-OE2 3.29Å; F256-E290 WeakPolarHBondContact CE1-OE2 3.27Å; F256-C292 HydrophobicContact CD1-CB 3.85Å; F256-C292 HydrophobicContact CE1-CB 3.62Å
257R91.6Very high88.2Confident8 Ų846.4 Ų46.43%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-102.9125.8165.6176.5-170.2-173.1173.615.6109.5H241 I253 G255 D267 Y291 T295 D300H241-R257 HydrophobicContact CB-CB 4.48Å; I253-R257 HydrophobicContact CD1-CG 4.46Å; I253-R257 HydrophobicContact CG2-CB 4.33Å; G255-R257 PolarHBondContact O-N 3.33Å; R257-D267 IonicContact CZ-OD1 2.84Å; R257-D267 IonicContact CZ-OD2 3.54Å; R257-D267 VanDerWaalsContact NE-CG 3.32Å; R257-D267 IonicContact NE-OD1 3.84Å; R257-D267 PolarHBondContact NE-OD1 3.01Å; R257-D267 IonicContact NE-OD2 3.45Å; R257-D267 PolarHBondContact NE-OD2 3.39Å; R257-D267 IonicContact NH2-OD1 3.56Å; R257-D267 PolarHBondContact NH2-OD1 2.84Å; R257-D267 IonicContact NH2-OD2 2.76Å; R257-D267 PolarHBondContact NH2-OD2 3.25Å; R257-Y291 HydrophobicContact CB-CD2 4.14Å; R257-Y291 HydrophobicContact CG-CD2 3.92Å; R257-Y291 HydrophobicContact CG-CE2 4.48Å; R257-Y291 PolarHBondContact N-O 2.89Å; R257-Y291 VanDerWaalsContact N-O 3.09Å; R257-Y291 WeakPolarHBondContact O-CD2 3.13Å; R257-Y291 PolarHBondContact O-N 3.44Å; R257-T295 PolarHBondContact NH1-OG1 3.5Å; R257-T295 VanDerWaalsContact NH1-OG1 3.12Å; R257-D300 IonicContact NH1-OD1 3.62Å; R257-D300 IonicContact NH1-OD2 3.92Å; R257-D300 IonicContact NH2-OD1 3.98Å
258Y89.5Confident88.2Confident0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-112.6106.6173.8-63.1-81.6000110.7F256 D267 I268 F273 F274 M288 V289 E290F256-Y258 HydrophobicContact CB-CD2 4.22Å; F256-Y258 HydrophobicContact CB-CE2 3.42Å; F256-Y258 VanDerWaalsContact CB-CE2 3.42Å; F256-Y258 HydrophobicContact CG-CE2 4.21Å; F256-Y258 WeakPolarHBondContact CG-OH 3.34Å; Y258-D267 CarbonylContact O-C 3.55Å; Y258-D267 WeakPolarHBondContact O-CA 3.28Å; Y258-I268 PolarHBondContact N-O 2.89Å; Y258-I268 PolarHBondContact O-N 3.42Å; Y258-F273 AromaticContact CD1-CD1 3.98Å; Y258-F273 HydrophobicContact CD1-CD1 3.98Å; Y258-F273 HydrophobicContact CD1-CD2 4.38Å; Y258-F273 AromaticContact CD1-CE1 3.91Å; Y258-F273 HydrophobicContact CD1-CE1 3.91Å; Y258-F273 HydrophobicContact CD1-CE2 4.33Å; Y258-F273 HydrophobicContact CD1-CG 4.22Å; Y258-F273 HydrophobicContact CD1-CZ 4.11Å; Y258-F273 HydrophobicContact CD2-CB 3.47Å; Y258-F273 VanDerWaalsContact CD2-CB 3.47Å; Y258-F273 AromaticContact CD2-CD1 3.61Å; Y258-F273 HydrophobicContact CD2-CD1 3.61Å; Y258-F273 HydrophobicContact CD2-CD2 4.16Å; Y258-F273 HydrophobicContact CD2-CE1 4.39Å; Y258-F273 AromaticContact CD2-CG 3.48Å; Y258-F273 HydrophobicContact CD2-CG 3.48Å; Y258-F273 VanDerWaalsContact CD2-CG 3.48Å; Y258-F273 AromaticContact CE1-CD1 3.67Å; Y258-F273 HydrophobicContact CE1-CD1 3.67Å; Y258-F273 AromaticContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CG 4.35Å; Y258-F273 HydrophobicContact CE1-CZ 4.11Å; Y258-F273 HydrophobicContact CE2-CB 3.7Å; Y258-F273 AromaticContact CE2-CD1 3.26Å; Y258-F273 HydrophobicContact CE2-CD1 3.26Å; Y258-F273 HydrophobicContact CE2-CE1 4.03Å; Y258-F273 AromaticContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CG-CB 4.2Å; Y258-F273 AromaticContact CG-CD1 3.96Å; Y258-F273 HydrophobicContact CG-CD1 3.96Å; Y258-F273 HydrophobicContact CG-CD2 4.04Å; Y258-F273 HydrophobicContact CG-CE1 4.33Å; Y258-F273 HydrophobicContact CG-CE2 4.41Å; Y258-F273 AromaticContact CG-CG 3.8Å; Y258-F273 HydrophobicContact CG-CG 3.8Å; Y258-F273 AromaticContact CZ-CD1 3.32Å; Y258-F273 AromaticContact CZ-CE1 3.61Å; Y258-F274 HydrophobicContact CE2-CE1 4.37Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.41Å; Y258-M288 VanDerWaalsContact O-CE 3.3Å; Y258-M288 WeakPolarHBondContact O-CE 3.46Å; Y258-V289 CarbonylContact C-O 3.52Å; Y258-V289 WeakPolarHBondContact CA-O 3.46Å; Y258-E290 HydrophobicContact CD1-CB 4.04Å; Y258-E290 HydrophobicContact CD1-CG 4.3Å; Y258-E290 HydrophobicContact CE1-CB 3.78Å; Y258-E290 HydrophobicContact CE1-CG 3.68Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.37Å; Y258-E290 PolarHBondContact OH-OE2 2.86Å
259R86.4Confident88.1Confident22 Ų2242.4 Ų42.48%0.08321%0.209CC..EExtended strand (participates in β ladder)trans-94.3133.5177.5-179.4176.1-83.6165.6-27.3111.4Y266 D267 M288 V289 Y291 D300R259-Y266 CarbonylContact C-O 3.59Å; R259-Y266 WeakPolarHBondContact CA-O 3.36Å; R259-D267 VanDerWaalsContact CB-OD1 3.31Å; R259-D267 WeakPolarHBondContact CB-OD1 3.47Å; R259-D267 IonicContact NE-OD1 3.46Å; R259-M288 CarbonylContact O-C 3.6Å; R259-M288 WeakPolarHBondContact O-CA 3.43Å; R259-V289 PolarHBondContact N-O 3.25Å; R259-V289 PolarHBondContact O-N 2.91Å; R259-Y291 HydrophobicContact CB-CE2 3.73Å; R259-Y291 PolarHBondContact NH1-OH 3.47Å; R259-D300 IonicContact CZ-OD1 3.1Å; R259-D300 IonicContact NH1-OD1 2.67Å; R259-D300 PolarHBondContact NH1-OD1 3.45Å; R259-D300 IonicContact NH2-OD1 2.67Å; R259-D300 PolarHBondContact NH2-OD1 3.28Å
260S85.4Confident88Confident0 Ų038.7 Ų38.70%019%0.194CC..EExtended strand (participates in β ladder)trans-71.7129.4172.6-167.10000112.4K262 H263 Y266 H282 M288S260-K262 PolarHBondContact O-N 3Å; S260-K262 PolarHBondContact OG-N 3.48Å; S260-H263 PolarHBondContact OG-N 3.25Å; S260-Y266 PolarHBondContact N-O 2.76Å; S260-H282 PolarHBondContact OG-NE2 3.39Å; S260-M288 VanDerWaalsContact CA-SD 3.55Å
261L81.3Confident87.9Confident22 Ų2237.2 Ų37.212%0.11519%0.193CC..SBendtrans-79.9-4.3169-72.9173.8000113.3P287 V289 K306 V307L261-P287 HydrophobicContact CB-CB 4.18Å; L261-P287 HydrophobicContact CB-CG 4.07Å; L261-P287 WeakPolarHBondContact CB-O 3.19Å; L261-P287 HydrophobicContact CD1-CB 4.25Å; L261-P287 PolarHBondContact N-O 3.3Å; L261-V289 HydrophobicContact CD1-CG2 3.78Å; L261-V289 HydrophobicContact CD2-CG2 3.74Å; L261-V289 HydrophobicContact CG-CG2 3.77Å; L261-K306 HydrophobicContact CD2-CB 4.23Å; L261-V307 HydrophobicContact CD2-CG2 4.02Å
262K79.2Confident87.8Confident93 Ų9333.6 Ų33.640%0.40417%0.169SC..SBendtrans-102.3-42.7177.6-169-171.7174.8-1790112.4S260 Y286S260-K262 PolarHBondContact O-N 3Å; S260-K262 PolarHBondContact OG-N 3.48Å; K262-Y286 HydrophobicContact CB-CD2 4.46Å; K262-Y286 HydrophobicContact CB-CG 4.44Å; K262-Y286 HydrophobicContact CD-CD1 3.76Å; K262-Y286 HydrophobicContact CD-CD2 3.72Å; K262-Y286 HydrophobicContact CD-CE1 3.79Å; K262-Y286 HydrophobicContact CD-CE2 3.74Å; K262-Y286 HydrophobicContact CD-CG 3.74Å; K262-Y286 VanDerWaalsContact NZ-CE1 3.25Å; K262-Y286 PolarHBondContact NZ-OH 3.49Å
263H79.4Confident87.7Confident53 Ų5332 Ų3225%0.24516%0.158CC..SBendtrans-102.3128.1-177.2-66.4-177.3000110.3S260 Y266 G281 H282 Y286S260-H263 PolarHBondContact OG-N 3.25Å; H263-Y266 HydrophobicContact CB-CD2 4.29Å; H263-Y266 HydrophobicContact CB-CG 4.03Å; H263-G281 PolarHBondContact CE1-O 2.92Å; H263-H282 AromaticContact ND1-CD2 3.72Å; H263-Y286 AromaticContact CE1-CE2 3.7Å; H263-Y286 AromaticContact NE2-CE2 3.52Å
264F77.1Confident87.6Confident128 Ų12832.5 Ų32.556%0.56116%0.16SC*.THydrogen-bonded Turntrans-65.3135.4179.5-178.3-101.2000111.1Y266 F304F264-Y266 PolarHBondContact O-N 3.21Å; F264-F304 AromaticContact CE2-CD2 3.86Å; F264-F304 HydrophobicContact CE2-CD2 3.86Å; F264-F304 AromaticContact CE2-CE2 3.83Å; F264-F304 HydrophobicContact CE2-CE2 3.83Å; F264-F304 HydrophobicContact CZ-CE2 4.45Å
265N80.9Confident87.3Confident95 Ų9530.4 Ų30.451%0.50816%0.155SC..THydrogen-bonded Turntrans41.748.1-177.6-149.429.6000114.1N246N246-N265 PolarHBondContact ND2-O 3.09Å
266Y87.4Confident86.8Confident22 Ų2230.8 Ų30.89%0.08616%0.159CC..  trans-111.8100.2177.3-167.9-75.2000109.6N246 R259 S260 H263 F264 I268 A279 H282N246-Y266 HydrophobicContact CB-CD1 4.36Å; N246-Y266 HydrophobicContact CB-CD2 3.86Å; N246-Y266 HydrophobicContact CB-CE1 4.2Å; N246-Y266 HydrophobicContact CB-CE2 3.7Å; N246-Y266 HydrophobicContact CB-CG 4.19Å; R259-Y266 CarbonylContact C-O 3.59Å; R259-Y266 WeakPolarHBondContact CA-O 3.36Å; S260-Y266 PolarHBondContact N-O 2.76Å; H263-Y266 HydrophobicContact CB-CD2 4.29Å; H263-Y266 HydrophobicContact CB-CG 4.03Å; F264-Y266 PolarHBondContact O-N 3.21Å; Y266-I268 HydrophobicContact CD1-CG1 4.19Å; Y266-I268 HydrophobicContact CE1-CD1 3.88Å; Y266-I268 HydrophobicContact CE1-CG1 3.72Å; Y266-A279 WeakPolarHBondContact OH-CB 3.48Å; Y266-H282 AromaticContact CD1-CD2 3.51Å; Y266-H282 AromaticContact CD1-NE2 3.93Å; Y266-H282 HydrophobicContact CE1-CB 4Å; Y266-H282 AromaticContact CE1-CD2 3.3Å; Y266-H282 WeakPolarHBondContact CE1-CD2 3.19Å; Y266-H282 AromaticContact CE1-CG 3.58Å; Y266-H282 AromaticContact CE1-NE2 3.84Å; Y266-H282 HydrophobicContact CE2-CB 4.13Å; Y266-H282 AromaticContact CZ-CD2 3.77Å; Y266-H282 AromaticContact CZ-CG 3.73Å; Y266-H282 WeakPolarHBondContact OH-CB 3.49Å
267D90.2Very high86.5Confident3 Ų337.3 Ų37.32%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-106.4147.6179.8-72.3-59000111.4N246 I253 R257 Y258 R259N246-D267 PolarHBondContact N-O 2.69Å; N246-D267 PolarHBondContact OD1-N 3.09Å; N246-D267 PolarHBondContact OD1-O 2.81Å; N246-D267 VanDerWaalsContact OD1-O 3.1Å; I253-D267 HydrophobicContact CD1-CB 4.07Å; R257-D267 IonicContact CZ-OD1 2.84Å; R257-D267 IonicContact CZ-OD2 3.54Å; R257-D267 VanDerWaalsContact NE-CG 3.32Å; R257-D267 IonicContact NE-OD1 3.84Å; R257-D267 PolarHBondContact NE-OD1 3.01Å; R257-D267 IonicContact NE-OD2 3.45Å; R257-D267 PolarHBondContact NE-OD2 3.39Å; R257-D267 IonicContact NH2-OD1 3.56Å; R257-D267 PolarHBondContact NH2-OD1 2.84Å; R257-D267 IonicContact NH2-OD2 2.76Å; R257-D267 PolarHBondContact NH2-OD2 3.25Å; Y258-D267 CarbonylContact O-C 3.55Å; Y258-D267 WeakPolarHBondContact O-CA 3.28Å; R259-D267 VanDerWaalsContact CB-OD1 3.31Å; R259-D267 WeakPolarHBondContact CB-OD1 3.47Å; R259-D267 IonicContact NE-OD1 3.46Å
268I91.9Very high85.9Confident0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-130.3133175.5-49.2178.4000108.3I247 Y258 Y266 C272 F273 M284 M288I247-I268 HydrophobicContact CD1-CD1 4.01Å; I247-I268 HydrophobicContact CD1-CG1 4.08Å; I247-I268 HydrophobicContact CD1-CG2 3.84Å; Y258-I268 PolarHBondContact N-O 2.89Å; Y258-I268 PolarHBondContact O-N 3.42Å; Y266-I268 HydrophobicContact CD1-CG1 4.19Å; Y266-I268 HydrophobicContact CE1-CD1 3.88Å; Y266-I268 HydrophobicContact CE1-CG1 3.72Å; I268-C272 HydrophobicContact CG2-CB 3.54Å; I268-F273 HydrophobicContact CG2-CB 4.01Å; I268-M284 HydrophobicContact CD1-CE 3.6Å; I268-M288 HydrophobicContact CD1-CE 3.67Å; I268-M288 HydrophobicContact CG1-CE 4.06Å
269C92.9Very high85.5Confident2 Ų242.5 Ų42.51%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-78.6156.9172.163.90000112.1C245 C248 E250 I253 S271 C272 F273C245-C269 HydrophobicContact CB-CB 4.12Å; C245-C269 PolarHBondContact SG-N 2.88Å; C245-C269 VanDerWaalsContact SG-N 3.4Å; C248-C269 PolarHBondContact SG-SG 2.97Å; E250-C269 PolarHBondContact OE2-SG 3.32Å; I253-C269 HydrophobicContact CB-CB 4.47Å; I253-C269 HydrophobicContact CD1-CB 4.27Å; I253-C269 HydrophobicContact CG1-CB 4.03Å; I253-C269 HydrophobicContact CG2-CB 3.8Å; C269-S271 VanDerWaalsContact C-N 3.3Å; C269-S271 PolarHBondContact O-N 2.95Å; C269-S271 PolarHBondContact SG-OG 2.99Å; C269-C272 PolarHBondContact O-N 3.43Å; C269-C272 VanDerWaalsContact O-N 3.09Å; C269-F273 PolarHBondContact O-N 2.99Å
270Q91.4Very high84.6Confident48 Ų4852 Ų5222%0.22426%0.261CS..Hα-helixtrans-38.1-53.5174.1-174.3176.1-44.200114.4F256 C272 F273 F274F256-Q270 HydrophobicContact CB-CB 4.09Å; F256-Q270 HydrophobicContact CB-CG 4.4Å; F256-Q270 HydrophobicContact CD2-CG 4.06Å; F256-Q270 VanDerWaalsContact N-OE1 3.14Å; F256-Q270 PolarHBondContact O-N 3.28Å; Q270-C272 PolarHBondContact O-N 3.24Å; Q270-F273 PolarHBondContact O-N 3.49Å; Q270-F274 HydrophobicContact CG-CD2 3.7Å; Q270-F274 HydrophobicContact CG-CE2 3.35Å; Q270-F274 HydrophobicContact CG-CG 4.47Å; Q270-F274 HydrophobicContact CG-CZ 3.87Å; Q270-F274 WeakPolarHBondContact O-CB 3.31Å; Q270-F274 WeakPolarHBondContact O-CG 3.25Å; Q270-F274 PolarHBondContact O-N 3.24Å
271S91.1Very high83.8Confident58 Ų5854.8 Ų54.841%0.40629%0.29SS..Hα-helixtrans-62.2-41.4-175.963.50000112.5C269 S275C269-S271 VanDerWaalsContact C-N 3.3Å; C269-S271 PolarHBondContact O-N 2.95Å; C269-S271 PolarHBondContact SG-OG 2.99Å; S271-S275 WeakPolarHBondContact O-CB 3.36Å; S271-S275 PolarHBondContact O-N 3.19Å; S271-S275 PolarHBondContact O-OG 3.49Å
272C90.7Very high83.5Confident1 Ų154.1 Ų54.11%0.00729%0.286CS..Hα-helixtrans-71.3-39177-73.50000112.5I247 C248 I268 C269 Q270 G276 R277I247-C272 HydrophobicContact CB-CB 4.27Å; I247-C272 HydrophobicContact CD1-CB 4.2Å; I247-C272 HydrophobicContact CG2-CB 4.26Å; C248-C272 VanDerWaalsContact SG-SG 3.6Å; I268-C272 HydrophobicContact CG2-CB 3.54Å; C269-C272 PolarHBondContact O-N 3.43Å; C269-C272 VanDerWaalsContact O-N 3.09Å; Q270-C272 PolarHBondContact O-N 3.24Å; C272-G276 PolarHBondContact O-N 2.86Å; C272-R277 HydrophobicContact CB-CB 4.47Å; C272-R277 PolarHBondContact O-N 3Å
273F89.3Confident83.3Confident6 Ų655.2 Ų55.23%0.02629%0.291CS..Hα-helixtrans-69.3-49180-174.8-108.8000112F35 Y258 I268 C269 Q270 S275 G276 M284F35-F273 HydrophobicContact CD2-CD1 4.23Å; F35-F273 AromaticContact CD2-CE1 3.85Å; F35-F273 HydrophobicContact CD2-CE1 3.85Å; F35-F273 HydrophobicContact CD2-CZ 4.47Å; F35-F273 AromaticContact CE2-CD1 3.72Å; F35-F273 HydrophobicContact CE2-CD1 3.72Å; F35-F273 AromaticContact CE2-CE1 3.36Å; F35-F273 HydrophobicContact CE2-CE1 3.36Å; F35-F273 HydrophobicContact CE2-CE2 4.22Å; F35-F273 HydrophobicContact CE2-CG 4.29Å; F35-F273 AromaticContact CE2-CZ 3.65Å; F35-F273 HydrophobicContact CE2-CZ 3.65Å; F35-F273 AromaticContact CZ-CE1 3.97Å; F35-F273 HydrophobicContact CZ-CE1 3.97Å; F35-F273 HydrophobicContact CZ-CE2 4.24Å; F35-F273 AromaticContact CZ-CZ 3.75Å; F35-F273 HydrophobicContact CZ-CZ 3.75Å; Y258-F273 AromaticContact CD1-CD1 3.98Å; Y258-F273 HydrophobicContact CD1-CD1 3.98Å; Y258-F273 HydrophobicContact CD1-CD2 4.38Å; Y258-F273 AromaticContact CD1-CE1 3.91Å; Y258-F273 HydrophobicContact CD1-CE1 3.91Å; Y258-F273 HydrophobicContact CD1-CE2 4.33Å; Y258-F273 HydrophobicContact CD1-CG 4.22Å; Y258-F273 HydrophobicContact CD1-CZ 4.11Å; Y258-F273 HydrophobicContact CD2-CB 3.47Å; Y258-F273 VanDerWaalsContact CD2-CB 3.47Å; Y258-F273 AromaticContact CD2-CD1 3.61Å; Y258-F273 HydrophobicContact CD2-CD1 3.61Å; Y258-F273 HydrophobicContact CD2-CD2 4.16Å; Y258-F273 HydrophobicContact CD2-CE1 4.39Å; Y258-F273 AromaticContact CD2-CG 3.48Å; Y258-F273 HydrophobicContact CD2-CG 3.48Å; Y258-F273 VanDerWaalsContact CD2-CG 3.48Å; Y258-F273 AromaticContact CE1-CD1 3.67Å; Y258-F273 HydrophobicContact CE1-CD1 3.67Å; Y258-F273 AromaticContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CG 4.35Å; Y258-F273 HydrophobicContact CE1-CZ 4.11Å; Y258-F273 HydrophobicContact CE2-CB 3.7Å; Y258-F273 AromaticContact CE2-CD1 3.26Å; Y258-F273 HydrophobicContact CE2-CD1 3.26Å; Y258-F273 HydrophobicContact CE2-CE1 4.03Å; Y258-F273 AromaticContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CE2-CG 3.62Å; Y258-F273 HydrophobicContact CG-CB 4.2Å; Y258-F273 AromaticContact CG-CD1 3.96Å; Y258-F273 HydrophobicContact CG-CD1 3.96Å; Y258-F273 HydrophobicContact CG-CD2 4.04Å; Y258-F273 HydrophobicContact CG-CE1 4.33Å; Y258-F273 HydrophobicContact CG-CE2 4.41Å; Y258-F273 AromaticContact CG-CG 3.8Å; Y258-F273 HydrophobicContact CG-CG 3.8Å; Y258-F273 AromaticContact CZ-CD1 3.32Å; Y258-F273 AromaticContact CZ-CE1 3.61Å; I268-F273 HydrophobicContact CG2-CB 4.01Å; C269-F273 PolarHBondContact O-N 2.99Å; Q270-F273 PolarHBondContact O-N 3.49Å; F273-S275 VanDerWaalsContact C-N 3.32Å; F273-S275 PolarHBondContact O-N 3.5Å; F273-G276 WeakPolarHBondContact O-CA 3.17Å; F273-G276 PolarHBondContact O-N 3.1Å; F273-M284 HydrophobicContact CD2-SD 4.15Å; F273-M284 HydrophobicContact CE2-SD 4.34Å
274F88.9Confident82.8Confident10 Ų1055.1 Ų55.14%0.04429%0.291CS..Hα-helixtrans-66.5-32.5178.5-66-10.4000113V33 R34 F35 Y38 M42 F256 Y258 Q270 G276V33-F274 HydrophobicContact CG1-CB 4.16Å; V33-F274 HydrophobicContact CG1-CD2 4.12Å; V33-F274 HydrophobicContact CG1-CG 4.03Å; V33-F274 HydrophobicContact CG2-CD2 4.34Å; R34-F274 WeakPolarHBondContact CB-O 3.41Å; R34-F274 PolarHBondContact N-O 3.11Å; F35-F274 HydrophobicContact CD2-CD1 4.13Å; Y38-F274 AromaticContact CD1-CE1 3.71Å; Y38-F274 HydrophobicContact CD1-CE1 3.71Å; Y38-F274 AromaticContact CD1-CZ 3.51Å; Y38-F274 HydrophobicContact CD1-CZ 3.51Å; Y38-F274 HydrophobicContact CD2-CE1 4.29Å; Y38-F274 HydrophobicContact CE1-CE1 4.32Å; Y38-F274 HydrophobicContact CE1-CZ 4.31Å; Y38-F274 AromaticContact CG-CE1 3.7Å; Y38-F274 HydrophobicContact CG-CE1 3.7Å; Y38-F274 AromaticContact CG-CZ 3.81Å; Y38-F274 HydrophobicContact CG-CZ 3.81Å; M42-F274 HydrophobicContact CE-CE2 4.46Å; M42-F274 HydrophobicContact SD-CD2 3.89Å; M42-F274 HydrophobicContact SD-CE2 3.5Å; M42-F274 VanDerWaalsContact SD-CE2 3.5Å; F256-F274 AromaticContact CD2-CZ 3.92Å; F256-F274 HydrophobicContact CD2-CZ 3.92Å; F256-F274 HydrophobicContact CE2-CZ 4.08Å; Y258-F274 HydrophobicContact CE2-CE1 4.37Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.41Å; Q270-F274 HydrophobicContact CG-CD2 3.7Å; Q270-F274 HydrophobicContact CG-CE2 3.35Å; Q270-F274 HydrophobicContact CG-CG 4.47Å; Q270-F274 HydrophobicContact CG-CZ 3.87Å; Q270-F274 WeakPolarHBondContact O-CB 3.31Å; Q270-F274 WeakPolarHBondContact O-CG 3.25Å; Q270-F274 PolarHBondContact O-N 3.24Å; F274-G276 PolarHBondContact O-N 3.16Å
275S84.7Confident82.5Confident62 Ų6255.7 Ų55.743%0.43430%0.296SS..THydrogen-bonded Turntrans-70.9-8.7169-61.20000113.7S271 F273 R277S271-S275 WeakPolarHBondContact O-CB 3.36Å; S271-S275 PolarHBondContact O-N 3.19Å; S271-S275 PolarHBondContact O-OG 3.49Å; F273-S275 VanDerWaalsContact C-N 3.32Å; F273-S275 PolarHBondContact O-N 3.5Å; S275-R277 PolarHBondContact O-N 2.86Å
276G82.9Confident82.3Confident13 Ų1352.7 Ų52.713%0.13428%0.277CS..THydrogen-bonded Turntrans6323-17500000115.2C272 F273 F274C272-G276 PolarHBondContact O-N 2.86Å; F273-G276 WeakPolarHBondContact O-CA 3.17Å; F273-G276 PolarHBondContact O-N 3.1Å; F274-G276 PolarHBondContact O-N 3.16Å
277R84Confident81.6Confident137 Ų13753.9 Ų53.952%0.51729%0.288SS..  trans-67.5141.5-178-62.5178-164.8-159.52.2110.1I247 C272 S275I247-R277 WeakPolarHBondContact CD1-O 3.44Å; I247-R277 HydrophobicContact CG2-CB 4Å; C272-R277 HydrophobicContact CB-CB 4.47Å; C272-R277 PolarHBondContact O-N 3Å; S275-R277 PolarHBondContact O-N 2.86Å
278V80Confident81.2Confident85 Ų8554.6 Ų54.652%0.51529%0.291SS..  trans-125142.4177.2-73.50000110.9M284V278-M284 HydrophobicContact CG1-CE 3.84Å; V278-M284 HydrophobicContact CG1-CG 3.79Å
279A79.5Confident80.7Confident33 Ų3355.9 Ų55.927%0.27330%0.299SS..  trans-98.6157.7164.300000110I247 Y266 G281 H282I247-A279 HydrophobicContact CG1-CB 3.99Å; Y266-A279 WeakPolarHBondContact OH-CB 3.48Å; A279-G281 PolarHBondContact O-N 3.32Å; A279-G281 VanDerWaalsContact O-N 3.17Å; A279-H282 PolarHBondContact O-N 3.36Å; A279-H282 VanDerWaalsContact O-N 3.08Å
280K68.2Low80.4Confident221 Ų22157.2 Ų57.296%0.96131%0.305SS*.THydrogen-bonded Turntrans-46.6121-176.8-69.3-177.5176.5-179.10111.6
281G68Low80Confident58 Ų5855.8 Ų55.860%0.59830%0.297SS*.THydrogen-bonded Turntrans93.4-21.217700000116.5H263 A279 Y286H263-G281 PolarHBondContact CE1-O 2.92Å; A279-G281 PolarHBondContact O-N 3.32Å; A279-G281 VanDerWaalsContact O-N 3.17Å; G281-Y286 PolarHBondContact O-OH 2.89Å
282H75.9Confident79.6Confident8 Ų854.1 Ų54.14%0.03729%0.286CS..  trans-86.2139.5174.4-168-78000111.2S260 H263 Y266 A279 Y286S260-H282 PolarHBondContact OG-NE2 3.39Å; H263-H282 AromaticContact ND1-CD2 3.72Å; Y266-H282 AromaticContact CD1-CD2 3.51Å; Y266-H282 AromaticContact CD1-NE2 3.93Å; Y266-H282 HydrophobicContact CE1-CB 4Å; Y266-H282 AromaticContact CE1-CD2 3.3Å; Y266-H282 WeakPolarHBondContact CE1-CD2 3.19Å; Y266-H282 AromaticContact CE1-CG 3.58Å; Y266-H282 AromaticContact CE1-NE2 3.84Å; Y266-H282 HydrophobicContact CE2-CB 4.13Å; Y266-H282 AromaticContact CZ-CD2 3.77Å; Y266-H282 AromaticContact CZ-CG 3.73Å; Y266-H282 WeakPolarHBondContact OH-CB 3.49Å; A279-H282 PolarHBondContact O-N 3.36Å; A279-H282 VanDerWaalsContact O-N 3.08Å; H282-Y286 AromaticContact CD2-CD2 3.91Å; H282-Y286 AromaticContact NE2-CD2 3.96Å
283K74.9Confident79.1Confident117 Ų11757.5 Ų57.551%0.50931%0.306SS..  trans-120.2134.3173.8-60.5-168.6178.2-168.20108.8H285 Y286K283-H285 VanDerWaalsContact CD-CE1 3.43Å; K283-H285 WeakPolarHBondContact CD-CE1 3.49Å; K283-H285 PolarHBondContact O-N 2.99Å; K283-Y286 HydrophobicContact CB-CD1 4.14Å; K283-Y286 HydrophobicContact CB-CD2 4.4Å; K283-Y286 HydrophobicContact CB-CE1 3.84Å; K283-Y286 HydrophobicContact CB-CE2 4.13Å; K283-Y286 HydrophobicContact CB-CG 4.41Å; K283-Y286 HydrophobicContact CD-CE1 4.33Å; K283-Y286 HydrophobicContact CG-CE1 4.18Å; K283-Y286 HydrophobicContact CG-CE2 4.41Å; K283-Y286 VanDerWaalsContact N-CE2 3.3Å; K283-Y286 WeakPolarHBondContact O-CB 3.35Å; K283-Y286 WeakPolarHBondContact O-CD2 3.36Å; K283-Y286 VanDerWaalsContact O-CG 3.27Å; K283-Y286 PolarHBondContact O-N 2.94Å
284M69.6Low78.3Confident50 Ų5060.9 Ų60.925%0.24633%0.329CS..THydrogen-bonded Turntrans-58.6-22.1-177.5-73.3-6899.100114.7I268 F273 V278 Y286I268-M284 HydrophobicContact CD1-CE 3.6Å; F273-M284 HydrophobicContact CD2-SD 4.15Å; F273-M284 HydrophobicContact CE2-SD 4.34Å; V278-M284 HydrophobicContact CG1-CE 3.84Å; V278-M284 HydrophobicContact CG1-CG 3.79Å; M284-Y286 VanDerWaalsContact C-N 3.28Å; M284-Y286 PolarHBondContact O-N 3.48Å
285H69.9Low77.1Confident141 Ų14161.8 Ų61.865%0.65334%0.335SS*.THydrogen-bonded Turntrans-79.4-3.4175.166.1-125.2000114.4K283K283-H285 VanDerWaalsContact CD-CE1 3.43Å; K283-H285 WeakPolarHBondContact CD-CE1 3.49Å; K283-H285 PolarHBondContact O-N 2.99Å
286Y76.8Confident75.9Confident32 Ų3262.7 Ų62.713%0.12534%0.338CS..SBendtrans-65.7142.5172.6-65.3-18.6000109.5K262 H263 G281 H282 K283 M284 M288K262-Y286 HydrophobicContact CB-CD2 4.46Å; K262-Y286 HydrophobicContact CB-CG 4.44Å; K262-Y286 HydrophobicContact CD-CD1 3.76Å; K262-Y286 HydrophobicContact CD-CD2 3.72Å; K262-Y286 HydrophobicContact CD-CE1 3.79Å; K262-Y286 HydrophobicContact CD-CE2 3.74Å; K262-Y286 HydrophobicContact CD-CG 3.74Å; K262-Y286 VanDerWaalsContact NZ-CE1 3.25Å; K262-Y286 PolarHBondContact NZ-OH 3.49Å; H263-Y286 AromaticContact CE1-CE2 3.7Å; H263-Y286 AromaticContact NE2-CE2 3.52Å; G281-Y286 PolarHBondContact O-OH 2.89Å; H282-Y286 AromaticContact CD2-CD2 3.91Å; H282-Y286 AromaticContact NE2-CD2 3.96Å; K283-Y286 HydrophobicContact CB-CD1 4.14Å; K283-Y286 HydrophobicContact CB-CD2 4.4Å; K283-Y286 HydrophobicContact CB-CE1 3.84Å; K283-Y286 HydrophobicContact CB-CE2 4.13Å; K283-Y286 HydrophobicContact CB-CG 4.41Å; K283-Y286 HydrophobicContact CD-CE1 4.33Å; K283-Y286 HydrophobicContact CG-CE1 4.18Å; K283-Y286 HydrophobicContact CG-CE2 4.41Å; K283-Y286 VanDerWaalsContact N-CE2 3.3Å; K283-Y286 WeakPolarHBondContact O-CB 3.35Å; K283-Y286 WeakPolarHBondContact O-CD2 3.36Å; K283-Y286 VanDerWaalsContact O-CG 3.27Å; K283-Y286 PolarHBondContact O-N 2.94Å; M284-Y286 VanDerWaalsContact C-N 3.28Å; M284-Y286 PolarHBondContact O-N 3.48Å; Y286-M288 WeakPolarHBondContact O-CG 3.36Å; Y286-M288 PolarHBondContact O-N 3.47Å
287P73.1Confident74.4Confident47 Ų4766.9 Ų66.931%0.30537%0.366SS..  trans-60.2133.1178.926-35.3000110.3L261 F318L261-P287 HydrophobicContact CB-CB 4.18Å; L261-P287 HydrophobicContact CB-CG 4.07Å; L261-P287 WeakPolarHBondContact CB-O 3.19Å; L261-P287 HydrophobicContact CD1-CB 4.25Å; L261-P287 PolarHBondContact N-O 3.3Å; P287-F318 HydrophobicContact CG-CD1 3.81Å; P287-F318 HydrophobicContact CG-CE1 3.87Å
288M80.8Confident73Confident18 Ų1861.8 Ų61.89%0.08936%0.355CS..EExtended strand (participates in β ladder)trans-121.2150.1178-51.5-64.7-73.200109.3Y258 R259 S260 I268 Y286Y258-M288 VanDerWaalsContact O-CE 3.3Å; Y258-M288 WeakPolarHBondContact O-CE 3.46Å; R259-M288 CarbonylContact O-C 3.6Å; R259-M288 WeakPolarHBondContact O-CA 3.43Å; S260-M288 VanDerWaalsContact CA-SD 3.55Å; I268-M288 HydrophobicContact CD1-CE 3.67Å; I268-M288 HydrophobicContact CG1-CE 4.06Å; Y286-M288 WeakPolarHBondContact O-CG 3.36Å; Y286-M288 PolarHBondContact O-N 3.47Å
289V82.1Confident71.8Confident26 Ų2660 Ų6016%0.15834%0.342CS..EExtended strand (participates in β ladder)trans-97.6131.5159.2175.20000107.7Y258 R259 L261 Y291Y258-V289 CarbonylContact C-O 3.52Å; Y258-V289 WeakPolarHBondContact CA-O 3.46Å; R259-V289 PolarHBondContact N-O 3.25Å; R259-V289 PolarHBondContact O-N 2.91Å; L261-V289 HydrophobicContact CD1-CG2 3.78Å; L261-V289 HydrophobicContact CD2-CG2 3.74Å; L261-V289 HydrophobicContact CG-CG2 3.77Å; V289-Y291 HydrophobicContact CB-CE2 4.17Å; V289-Y291 HydrophobicContact CG1-CD1 4.25Å; V289-Y291 HydrophobicContact CG1-CD2 4.27Å; V289-Y291 HydrophobicContact CG1-CE1 3.8Å; V289-Y291 HydrophobicContact CG1-CE2 3.8Å; V289-Y291 HydrophobicContact CG1-CG 4.48Å
290E86.1Confident70.5Confident31 Ų3160.8 Ų60.815%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-89.5136167.2177.8170.97700109.4Y38 R232 F256 Y258Y38-E290 WeakPolarHBondContact CE1-OE2 3.14Å; Y38-E290 PolarHBondContact OH-OE1 3.13Å; Y38-E290 PolarHBondContact OH-OE2 2.86Å; R232-E290 VanDerWaalsContact CD-OE1 3.25Å; R232-E290 WeakPolarHBondContact CD-OE1 3.48Å; R232-E290 IonicContact CZ-OE1 2.91Å; R232-E290 IonicContact NE-OE1 3.66Å; R232-E290 PolarHBondContact NE-OE1 2.97Å; R232-E290 IonicContact NH2-OE1 3.69Å; F256-E290 HydrophobicContact CD1-CG 3.6Å; F256-E290 WeakPolarHBondContact CD1-OE2 3.06Å; F256-E290 HydrophobicContact CE1-CG 3.94Å; F256-E290 VanDerWaalsContact CE1-OE2 3.29Å; F256-E290 WeakPolarHBondContact CE1-OE2 3.27Å; Y258-E290 HydrophobicContact CD1-CB 4.04Å; Y258-E290 HydrophobicContact CD1-CG 4.3Å; Y258-E290 HydrophobicContact CE1-CB 3.78Å; Y258-E290 HydrophobicContact CE1-CG 3.68Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.37Å; Y258-E290 PolarHBondContact OH-OE2 2.86Å
291Y83.1Confident69.8Low17 Ų1755 Ų557%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-120.9131.4163.7-45.4-96.6000108.4R257 R259 V289 T295 D303R257-Y291 HydrophobicContact CB-CD2 4.14Å; R257-Y291 HydrophobicContact CG-CD2 3.92Å; R257-Y291 HydrophobicContact CG-CE2 4.48Å; R257-Y291 PolarHBondContact N-O 2.89Å; R257-Y291 VanDerWaalsContact N-O 3.09Å; R257-Y291 WeakPolarHBondContact O-CD2 3.13Å; R257-Y291 PolarHBondContact O-N 3.44Å; R259-Y291 HydrophobicContact CB-CE2 3.73Å; R259-Y291 PolarHBondContact NH1-OH 3.47Å; V289-Y291 HydrophobicContact CB-CE2 4.17Å; V289-Y291 HydrophobicContact CG1-CD1 4.25Å; V289-Y291 HydrophobicContact CG1-CD2 4.27Å; V289-Y291 HydrophobicContact CG1-CE1 3.8Å; V289-Y291 HydrophobicContact CG1-CE2 3.8Å; V289-Y291 HydrophobicContact CG1-CG 4.48Å; Y291-T295 HydrophobicContact CD1-CG2 3.28Å; Y291-T295 HydrophobicContact CD2-CG2 4.27Å; Y291-T295 HydrophobicContact CE1-CG2 3.71Å; Y291-T295 HydrophobicContact CG-CG2 3.6Å; Y291-D303 WeakPolarHBondContact OH-CB 3.24Å; Y291-D303 VanDerWaalsContact OH-CG 3.28Å; Y291-D303 PolarHBondContact OH-OD2 3.33Å
292C83.2Confident69.4Low24 Ų2458.9 Ų58.916%0.16232%0.321CS..  trans-120.211.4177.262.20000112.5R232 A235 A236 F256R232-C292 HydrophobicContact CB-CB 4.29Å; A235-C292 CarbonylContact C-O 3.58Å; A235-C292 HydrophobicContact CB-CB 4.48Å; A235-C292 WeakPolarHBondContact CB-O 3.43Å; A236-C292 WeakPolarHBondContact CA-O 3.22Å; A236-C292 HydrophobicContact CB-CB 4.07Å; A236-C292 PolarHBondContact N-O 3.23Å; F256-C292 HydrophobicContact CD1-CB 3.85Å; F256-C292 HydrophobicContact CE1-CB 3.62Å
293T81.3Confident68.1Low71 Ų7158.8 Ų58.844%0.43632%0.321SS..SBendtrans-139.1149.2178510000108.6A235 H241 T295A235-T293 HydrophobicContact CB-CG2 4.39Å; H241-T293 PolarHBondContact CE1-O 2.78Å; T293-T295 PolarHBondContact O-N 3.4Å; T293-T295 VanDerWaalsContact O-N 3.16Å
294P71.5Confident66.8Low77 Ų7758.1 Ų58.150%0.532%0.318SS..PPolyproline II helixtrans-51.5122.9177.7-26.334.8000111.7T296P294-T296 PolarHBondContact O-N 2.66Å
295T64Low66.1Low29 Ų2958.2 Ų58.218%0.17833%0.327CS..PPolyproline II helixtrans-73.5124-176.136.70000111.1H241 R257 Y291 T293H241-T295 PolarHBondContact ND1-OG1 2.74Å; R257-T295 PolarHBondContact NH1-OG1 3.5Å; R257-T295 VanDerWaalsContact NH1-OG1 3.12Å; Y291-T295 HydrophobicContact CD1-CG2 3.28Å; Y291-T295 HydrophobicContact CD2-CG2 4.27Å; Y291-T295 HydrophobicContact CE1-CG2 3.71Å; Y291-T295 HydrophobicContact CG-CG2 3.6Å; T293-T295 PolarHBondContact O-N 3.4Å; T293-T295 VanDerWaalsContact O-N 3.16Å
296T59.3Low65.5Low81 Ų8155.8 Ų55.850%0.49732%0.315SS..PPolyproline II helixtrans-79.5153.3171.859.30000110.9P294 G298 E299 D300P294-T296 PolarHBondContact O-N 2.66Å; T296-G298 PolarHBondContact O-N 3.19Å; T296-E299 PolarHBondContact N-OE2 2.95Å; T296-E299 WeakPolarHBondContact O-CB 3.32Å; T296-E299 PolarHBondContact O-N 3.37Å; T296-E299 VanDerWaalsContact OG1-CD 3.28Å; T296-E299 WeakPolarHBondContact OG1-CG 3.33Å; T296-E299 PolarHBondContact OG1-OE2 2.72Å; T296-D300 PolarHBondContact O-N 2.83Å
297S51.2Low64.4Low102 Ų10254.6 Ų54.671%0.71331%0.31SS*.Hα-helixtrans-56-36.1-17951.50000113.1E299 D300 V301S297-E299 PolarHBondContact O-N 2.82Å; S297-D300 PolarHBondContact O-N 3.29Å; S297-V301 PolarHBondContact O-N 3.41Å
298G54.5Low63.4Low29 Ų2955.8 Ų55.830%0.29931%0.314SS..Hα-helixtrans-65.8-17.7174.500000114.9T296 R302T296-G298 PolarHBondContact O-N 3.19Å; G298-R302 VanDerWaalsContact O-CG 3.31Å; G298-R302 WeakPolarHBondContact O-CG 3.34Å; G298-R302 PolarHBondContact O-N 3.42Å; G298-R302 PolarHBondContact O-NH1 2.85Å; G298-R302 VanDerWaalsContact O-NH1 3.09Å
299E55.3Low62.2Low48 Ų4861.4 Ų61.422%0.22434%0.338CS..Hα-helixtrans-83.6-42.6173.7-70.9166.7134.900111.4T296 S297 V301 R302 D303T296-E299 PolarHBondContact N-OE2 2.95Å; T296-E299 WeakPolarHBondContact O-CB 3.32Å; T296-E299 PolarHBondContact O-N 3.37Å; T296-E299 VanDerWaalsContact OG1-CD 3.28Å; T296-E299 WeakPolarHBondContact OG1-CG 3.33Å; T296-E299 PolarHBondContact OG1-OE2 2.72Å; S297-E299 PolarHBondContact O-N 2.82Å; E299-V301 PolarHBondContact O-N 3.41Å; E299-R302 PolarHBondContact O-N 3.46Å; E299-R302 VanDerWaalsContact O-N 3.07Å; E299-R302 IonicContact OE1-NH2 2.78Å; E299-D303 PolarHBondContact O-N 3.45Å
300D52.6Low60.5Low49 Ų4960.9 Ų60.926%0.26233%0.334SS..Hα-helixtrans-55.7-39.2172-81.9-63.4000111.7R257 R259 T296 S297 F304R257-D300 IonicContact NH1-OD1 3.62Å; R257-D300 IonicContact NH1-OD2 3.92Å; R257-D300 IonicContact NH2-OD1 3.98Å; R259-D300 IonicContact CZ-OD1 3.1Å; R259-D300 IonicContact NH1-OD1 2.67Å; R259-D300 PolarHBondContact NH1-OD1 3.45Å; R259-D300 IonicContact NH2-OD1 2.67Å; R259-D300 PolarHBondContact NH2-OD1 3.28Å; T296-D300 PolarHBondContact O-N 2.83Å; S297-D300 PolarHBondContact O-N 3.29Å; D300-F304 VanDerWaalsContact O-CB 3.3Å; D300-F304 WeakPolarHBondContact O-CB 3.45Å; D300-F304 PolarHBondContact O-N 3.12Å
301V52.8Low58.8Low101 Ų10165.5 Ų65.561%0.61235%0.354SS*.Hα-helixtrans-67.6-43.2173.1176.70000112.6S297 E299 D303 F304 A305S297-V301 PolarHBondContact O-N 3.41Å; E299-V301 PolarHBondContact O-N 3.41Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 2.89Å; V301-F304 PolarHBondContact O-N 3.04Å; V301-A305 PolarHBondContact O-N 3.47Å
302R59.2Low57.1Low139 Ų13973.1 Ų73.153%0.52539%0.388SS..Hα-helixtrans-61.5-39.8176.3-77.9-172.6-63.5-96.823111.7G298 E299 A305 K306G298-R302 VanDerWaalsContact O-CG 3.31Å; G298-R302 WeakPolarHBondContact O-CG 3.34Å; G298-R302 PolarHBondContact O-N 3.42Å; G298-R302 PolarHBondContact O-NH1 2.85Å; G298-R302 VanDerWaalsContact O-NH1 3.09Å; E299-R302 PolarHBondContact O-N 3.46Å; E299-R302 VanDerWaalsContact O-N 3.07Å; E299-R302 IonicContact OE1-NH2 2.78Å; R302-A305 PolarHBondContact O-N 3.01Å; R302-K306 WeakPolarHBondContact O-CG 3.41Å; R302-K306 PolarHBondContact O-N 3.48Å
303D48.8Very low55.5Low6 Ų676.7 Ų76.73%0.03240%0.397CS..Hα-helixtrans-81.1-28.3-179.5-80.2-68.9000113.3Y291 E299 V301 K306 V307Y291-D303 WeakPolarHBondContact OH-CB 3.24Å; Y291-D303 VanDerWaalsContact OH-CG 3.28Å; Y291-D303 PolarHBondContact OH-OD2 3.33Å; E299-D303 PolarHBondContact O-N 3.45Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 2.89Å; D303-K306 PolarHBondContact O-N 3.49Å; D303-K306 VanDerWaalsContact OD1-CD 3.27Å; D303-K306 WeakPolarHBondContact OD1-CD 3.29Å; D303-K306 VanDerWaalsContact OD1-CE 3.28Å; D303-K306 WeakPolarHBondContact OD1-CE 3.45Å; D303-K306 IonicContact OD1-NZ 3.89Å; D303-K306 PolarHBondContact OD1-NZ 3.02Å; D303-K306 IonicContact OD2-NZ 3.78Å; D303-K306 PolarHBondContact OD2-NZ 3.34Å; D303-V307 WeakPolarHBondContact O-CB 3.26Å; D303-V307 VanDerWaalsContact O-CG2 3.3Å; D303-V307 WeakPolarHBondContact O-CG2 3.49Å; D303-V307 PolarHBondContact O-N 3.22Å
304F48Very low53.8Low102 Ų10278.2 Ų78.245%0.44741%0.407SS..Hα-helixtrans-56.3-48.8163178-91000111.2F264 D300 V301 K306 V307 L308F264-F304 AromaticContact CE2-CD2 3.86Å; F264-F304 HydrophobicContact CE2-CD2 3.86Å; F264-F304 AromaticContact CE2-CE2 3.83Å; F264-F304 HydrophobicContact CE2-CE2 3.83Å; F264-F304 HydrophobicContact CZ-CE2 4.45Å; D300-F304 VanDerWaalsContact O-CB 3.3Å; D300-F304 WeakPolarHBondContact O-CB 3.45Å; D300-F304 PolarHBondContact O-N 3.12Å; V301-F304 PolarHBondContact O-N 3.04Å; F304-K306 PolarHBondContact O-N 3.03Å; F304-V307 PolarHBondContact O-N 3.04Å; F304-V307 VanDerWaalsContact O-N 3.17Å; F304-L308 HydrophobicContact CD1-CD1 4.4Å; F304-L308 HydrophobicContact CE1-CD1 3.88Å; F304-L308 HydrophobicContact CE1-CD2 4.14Å; F304-L308 HydrophobicContact CE2-CD1 4.14Å; F304-L308 HydrophobicContact CZ-CD1 3.73Å; F304-L308 PolarHBondContact O-N 3.02Å
305A54.2Low52.6Low53 Ų5383.8 Ų83.844%0.43842%0.423SS..Hα-helixtrans-62.7-38.5176.900000112.5V301 R302 K309V301-A305 PolarHBondContact O-N 3.47Å; R302-A305 PolarHBondContact O-N 3.01Å; A305-K309 VanDerWaalsContact O-CB 3.27Å; A305-K309 WeakPolarHBondContact O-CB 3.41Å; A305-K309 PolarHBondContact O-N 3.06Å
306K56.9Low51.6Low90 Ų9092.5 Ų92.539%0.39145%0.453SS..Hα-helixtrans-63.7-42.7171.8-69.6177.6-133.9154.70111.9L261 R302 D303 F304 K309 N310L261-K306 HydrophobicContact CD2-CB 4.23Å; R302-K306 WeakPolarHBondContact O-CG 3.41Å; R302-K306 PolarHBondContact O-N 3.48Å; D303-K306 PolarHBondContact O-N 3.49Å; D303-K306 VanDerWaalsContact OD1-CD 3.27Å; D303-K306 WeakPolarHBondContact OD1-CD 3.29Å; D303-K306 VanDerWaalsContact OD1-CE 3.28Å; D303-K306 WeakPolarHBondContact OD1-CE 3.45Å; D303-K306 IonicContact OD1-NZ 3.89Å; D303-K306 PolarHBondContact OD1-NZ 3.02Å; D303-K306 IonicContact OD2-NZ 3.78Å; D303-K306 PolarHBondContact OD2-NZ 3.34Å; F304-K306 PolarHBondContact O-N 3.03Å; K306-K309 PolarHBondContact O-N 3.4Å; K306-N310 WeakPolarHBondContact O-CB 3.31Å; K306-N310 PolarHBondContact O-N 3.01Å; K306-N310 PolarHBondContact O-ND2 3.44Å
307V54.2Low50.9Low6 Ų691 Ų914%0.03644%0.439CS..Hα-helixtrans-63.8-43.9177.8168.40000111.4L261 D303 F304 N310 K311L261-V307 HydrophobicContact CD2-CG2 4.02Å; D303-V307 WeakPolarHBondContact O-CB 3.26Å; D303-V307 VanDerWaalsContact O-CG2 3.3Å; D303-V307 WeakPolarHBondContact O-CG2 3.49Å; D303-V307 PolarHBondContact O-N 3.22Å; F304-V307 PolarHBondContact O-N 3.04Å; F304-V307 VanDerWaalsContact O-N 3.17Å; V307-N310 PolarHBondContact O-N 3.48Å; V307-K311 PolarHBondContact O-N 2.94Å
308L52.8Low50.7Low73 Ų7389.3 Ų89.338%0.38242%0.418SS..Hα-helixtrans-58.7-53.9172.4-109.770.1000111F304 N310 K311 F312F304-L308 HydrophobicContact CD1-CD1 4.4Å; F304-L308 HydrophobicContact CE1-CD1 3.88Å; F304-L308 HydrophobicContact CE1-CD2 4.14Å; F304-L308 HydrophobicContact CE2-CD1 4.14Å; F304-L308 HydrophobicContact CZ-CD1 3.73Å; F304-L308 PolarHBondContact O-N 3.02Å; L308-N310 PolarHBondContact O-N 3.28Å; L308-K311 PolarHBondContact O-N 3.12Å; L308-F312 WeakPolarHBondContact O-CD2 3.32Å; L308-F312 PolarHBondContact O-N 3.5Å
309K54.1Low50.4Low136 Ų13692.2 Ų92.259%0.59144%0.439SS*.Hα-helixtrans-58.7-32-179.7-166.9168.2-172.1168.60112.5A305 K306 R313A305-K309 VanDerWaalsContact O-CB 3.27Å; A305-K309 WeakPolarHBondContact O-CB 3.41Å; A305-K309 PolarHBondContact O-N 3.06Å; K306-K309 PolarHBondContact O-N 3.4Å; K309-R313 VanDerWaalsContact O-CD 3.24Å; K309-R313 WeakPolarHBondContact O-CD 3.26Å; K309-R313 WeakPolarHBondContact O-CG 3.25Å
310N47.8Very low49.5Very low14 Ų1498.6 Ų98.68%0.07547%0.466CS..Hα-helixtrans-79.9-32.4176.3-75.9-18.3000113.4K306 V307 L308 F312 R313 F318K306-N310 WeakPolarHBondContact O-CB 3.31Å; K306-N310 PolarHBondContact O-N 3.01Å; K306-N310 PolarHBondContact O-ND2 3.44Å; V307-N310 PolarHBondContact O-N 3.48Å; L308-N310 PolarHBondContact O-N 3.28Å; N310-F312 VanDerWaalsContact C-N 3.26Å; N310-F312 PolarHBondContact O-N 2.7Å; N310-R313 PolarHBondContact O-N 3Å; N310-R313 VanDerWaalsContact O-N 3.09Å; N310-F318 HydrophobicContact CB-CE1 4.24Å; N310-F318 HydrophobicContact CB-CZ 3.93Å; N310-F318 WeakPolarHBondContact O-CZ 3.37Å
311K50.1Low49Very low129 Ų129100.9 Ų100.956%0.56148%0.475SS*.Hα-helixtrans-60.7-33.5173.6-83.5-173.4174.2-174.20112.9V307 L308 R313V307-K311 PolarHBondContact O-N 2.94Å; L308-K311 PolarHBondContact O-N 3.12Å; K311-R313 VanDerWaalsContact C-N 3.26Å; K311-R313 PolarHBondContact O-N 3.39Å
312F47.4Very low48.3Very low177 Ų177101.5 Ų101.578%0.77648%0.481SS*.THydrogen-bonded Turntrans-81.75.9175.9-65.6-70.7000114.5L308 N310L308-F312 WeakPolarHBondContact O-CD2 3.32Å; L308-F312 PolarHBondContact O-N 3.5Å; N310-F312 VanDerWaalsContact C-N 3.26Å; N310-F312 PolarHBondContact O-N 2.7Å
313R50.7Low47.7Very low98 Ų98103.8 Ų103.837%0.3749%0.49SS..SBendtrans-106.6135.4-177.2-76.3168.9153.4180-17.9112K309 N310 K311 Y317 F318K309-R313 VanDerWaalsContact O-CD 3.24Å; K309-R313 WeakPolarHBondContact O-CD 3.26Å; K309-R313 WeakPolarHBondContact O-CG 3.25Å; N310-R313 PolarHBondContact O-N 3Å; N310-R313 VanDerWaalsContact O-N 3.09Å; K311-R313 VanDerWaalsContact C-N 3.26Å; K311-R313 PolarHBondContact O-N 3.39Å; R313-Y317 HydrophobicContact CB-CD1 3.68Å; R313-Y317 HydrophobicContact CB-CD2 4.34Å; R313-Y317 HydrophobicContact CB-CE1 4.27Å; R313-Y317 HydrophobicContact CB-CG 3.75Å; R313-Y317 HydrophobicContact CG-CD1 4.3Å; R313-Y317 HydrophobicContact CG-CD2 4.25Å; R313-Y317 HydrophobicContact CG-CE2 4.49Å; R313-Y317 HydrophobicContact CG-CG 4.16Å; R313-Y317 VanDerWaalsContact NH1-CZ 3.3Å; R313-Y317 PolarHBondContact NH1-OH 2.81Å; R313-F318 HydrophobicContact CB-CE2 4.45Å; R313-F318 WeakPolarHBondContact O-CE2 3.42Å
314T43.8Very low47.5Very low103 Ų103107.3 Ų107.363%0.63251%0.507SS*.  trans-73.1164.3-170.155.80000113.2R316 Y317T314-R316 PolarHBondContact O-N 3Å; T314-R316 VanDerWaalsContact O-N 3.08Å; T314-Y317 VanDerWaalsContact O-CB 3.3Å; T314-Y317 WeakPolarHBondContact O-CB 3.15Å; T314-Y317 PolarHBondContact O-N 3.47Å
315K48.1Very low47.1Very low194 Ų194104 Ų10484%0.84350%0.502SS*.Hα-helixtrans-49.5-37175.7-73.1-178.7177.4177.10113.2Y317 F318 A319K315-Y317 VanDerWaalsContact C-N 3.31Å; K315-Y317 PolarHBondContact O-N 2.98Å; K315-F318 PolarHBondContact O-N 3.42Å; K315-A319 PolarHBondContact O-N 3.3Å
316R42.1Very low46.9Very low213 Ų213101.9 Ų101.980%0.80448%0.482SS*.Hα-helixtrans-67.4-22.7177.6-76.1-178.4174.2160.8-1.9114.3T314T314-R316 PolarHBondContact O-N 3Å; T314-R316 VanDerWaalsContact O-N 3.08Å
317Y45.4Very low46.3Very low50 Ų50100.5 Ų100.520%0.19648%0.479CS..Hα-helixtrans-68.3-54.6171.7169.1-92.1000109.9R313 T314 K315 A319 K320 H321R313-Y317 HydrophobicContact CB-CD1 3.68Å; R313-Y317 HydrophobicContact CB-CD2 4.34Å; R313-Y317 HydrophobicContact CB-CE1 4.27Å; R313-Y317 HydrophobicContact CB-CG 3.75Å; R313-Y317 HydrophobicContact CG-CD1 4.3Å; R313-Y317 HydrophobicContact CG-CD2 4.25Å; R313-Y317 HydrophobicContact CG-CE2 4.49Å; R313-Y317 HydrophobicContact CG-CG 4.16Å; R313-Y317 VanDerWaalsContact NH1-CZ 3.3Å; R313-Y317 PolarHBondContact NH1-OH 2.81Å; T314-Y317 VanDerWaalsContact O-CB 3.3Å; T314-Y317 WeakPolarHBondContact O-CB 3.15Å; T314-Y317 PolarHBondContact O-N 3.47Å; K315-Y317 VanDerWaalsContact C-N 3.31Å; K315-Y317 PolarHBondContact O-N 2.98Å; Y317-A319 VanDerWaalsContact C-N 3.26Å; Y317-A319 PolarHBondContact O-N 2.87Å; Y317-K320 PolarHBondContact O-N 3.16Å; Y317-H321 AromaticContact CD2-CD2 3.88Å; Y317-H321 AromaticContact CD2-NE2 3.69Å; Y317-H321 AromaticContact CE1-CD2 3.61Å; Y317-H321 AromaticContact CE1-NE2 3.91Å; Y317-H321 AromaticContact CE2-CD2 3.49Å; Y317-H321 VanDerWaalsContact CE2-CD2 3.49Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.33Å; Y317-H321 AromaticContact CE2-NE2 2.99Å; Y317-H321 WeakPolarHBondContact CE2-NE2 3.44Å; Y317-H321 AromaticContact CZ-CD2 3.32Å; Y317-H321 AromaticContact CZ-CE1 3.87Å; Y317-H321 AromaticContact CZ-NE2 3.09Å; Y317-H321 PolarHBondContact O-CD2 3.17Å; Y317-H321 PolarHBondContact O-N 3.08Å; Y317-H321 PolarHBondContact OH-NE2 2.89Å
318F46.5Very low45.5Very low66 Ų66104 Ų10429%0.28950%0.502SS..Hα-helixtrans-63.8-29.6-177.7-64.5-72.7000113.7P287 N310 R313 K315 K320P287-F318 HydrophobicContact CG-CD1 3.81Å; P287-F318 HydrophobicContact CG-CE1 3.87Å; N310-F318 HydrophobicContact CB-CE1 4.24Å; N310-F318 HydrophobicContact CB-CZ 3.93Å; N310-F318 WeakPolarHBondContact O-CZ 3.37Å; R313-F318 HydrophobicContact CB-CE2 4.45Å; R313-F318 WeakPolarHBondContact O-CE2 3.42Å; K315-F318 PolarHBondContact O-N 3.42Å; F318-K320 PolarHBondContact O-N 3.21Å
319A46.9Very low44.8Very low89 Ų89105 Ų10574%0.73651%0.511SS*.THydrogen-bonded Turntrans-69.5-13.1172.500000114.4K315 Y317K315-A319 PolarHBondContact O-N 3.3Å; Y317-A319 VanDerWaalsContact C-N 3.26Å; Y317-A319 PolarHBondContact O-N 2.87Å
320K36.8Very low43.7Very low183 Ų183104.2 Ų104.280%0.79651%0.509SS*.THydrogen-bonded Turntrans-109-2.6-180-75.8-168.8171.1-163.80114.4Y317 F318Y317-K320 PolarHBondContact O-N 3.16Å; F318-K320 PolarHBondContact O-N 3.21Å
321H42Very low43Very low97 Ų97109.4 Ų109.445%0.44954%0.541SS..SBendtrans-83.9144.7175.1-90.3-81.7000111.4Y317 R323Y317-H321 AromaticContact CD2-CD2 3.88Å; Y317-H321 AromaticContact CD2-NE2 3.69Å; Y317-H321 AromaticContact CE1-CD2 3.61Å; Y317-H321 AromaticContact CE1-NE2 3.91Å; Y317-H321 AromaticContact CE2-CD2 3.49Å; Y317-H321 VanDerWaalsContact CE2-CD2 3.49Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.33Å; Y317-H321 AromaticContact CE2-NE2 2.99Å; Y317-H321 WeakPolarHBondContact CE2-NE2 3.44Å; Y317-H321 AromaticContact CZ-CD2 3.32Å; Y317-H321 AromaticContact CZ-CE1 3.87Å; Y317-H321 AromaticContact CZ-NE2 3.09Å; Y317-H321 PolarHBondContact O-CD2 3.17Å; Y317-H321 PolarHBondContact O-N 3.08Å; Y317-H321 PolarHBondContact OH-NE2 2.89Å; H321-R323 PolarHBondContact O-N 3.15Å
322P38.9Very low42.3Very low114 Ų114110 Ų11074%0.7456%0.556SS**PPolyproline II helixtrans-53.8134.1179.2-26.935.1000111.7
323R46.9Very low41.6Very low186 Ų186109.6 Ų109.670%0.70256%0.561SS**PPolyproline II helixtrans-60.5134.1159-65.3-179.1-176.2-171.62.2106.5H321 G325 L327H321-R323 PolarHBondContact O-N 3.15Å; R323-G325 PolarHBondContact O-N 3.29Å; R323-L327 HydrophobicContact CB-CD1 4.08Å
324M44.2Very low40.7Very low80 Ų80113 Ų11339%0.39458%0.581SS.*PPolyproline II helixtrans-56.8131.2176.8-60.3-74.4-107.900109.2Y326 L327M324-Y326 HydrophobicContact CB-CD1 3.92Å; M324-Y326 HydrophobicContact CB-CD2 4.25Å; M324-Y326 HydrophobicContact CB-CE1 3.49Å; M324-Y326 VanDerWaalsContact CB-CE1 3.49Å; M324-Y326 HydrophobicContact CB-CE2 3.86Å; M324-Y326 HydrophobicContact CB-CG 4.3Å; M324-Y326 VanDerWaalsContact CB-CZ 3.48Å; M324-Y326 HydrophobicContact CE-CE1 3.96Å; M324-Y326 WeakPolarHBondContact CE-OH 3.36Å; M324-Y326 HydrophobicContact CG-CE1 4.03Å; M324-Y326 HydrophobicContact CG-CE2 4.48Å; M324-Y326 PolarHBondContact O-N 3.37Å; M324-Y326 HydrophobicContact SD-CE1 4.47Å; M324-L327 HydrophobicContact CB-CD1 4.36Å; M324-L327 HydrophobicContact CB-CG 4.4Å; M324-L327 VanDerWaalsContact O-CB 3.31Å; M324-L327 WeakPolarHBondContact O-CB 3.37Å; M324-L327 WeakPolarHBondContact O-CG 3.25Å; M324-L327 PolarHBondContact O-N 3.42Å
325G38.8Very low40Very low32 Ų32111.4 Ų111.433%0.3358%0.584SS.*THydrogen-bonded Turntrans-62.4-15-168.200000115.9Q222 R323Q222-G325 PolarHBondContact OE1-O 2.93Å; R323-G325 PolarHBondContact O-N 3.29Å
326Y50.2Low38.9Very low9 Ų9110.2 Ų110.24%0.03559%0.588CS.*THydrogen-bonded Turntrans-82.6-7.4173.157.4-111.7000114.6Y38 M324Y38-Y326 HydrophobicContact CD2-CD2 4.43Å; Y38-Y326 HydrophobicContact CD2-CG 4.49Å; Y38-Y326 AromaticContact CE2-CD1 3.93Å; Y38-Y326 HydrophobicContact CE2-CD1 3.93Å; Y38-Y326 AromaticContact CE2-CD2 3.55Å; Y38-Y326 HydrophobicContact CE2-CD2 3.55Å; Y38-Y326 HydrophobicContact CE2-CE1 4.33Å; Y38-Y326 AromaticContact CE2-CE2 4Å; Y38-Y326 HydrophobicContact CE2-CE2 4Å; Y38-Y326 AromaticContact CE2-CG 3.49Å; Y38-Y326 HydrophobicContact CE2-CG 3.49Å; Y38-Y326 VanDerWaalsContact CE2-CG 3.49Å; Y38-Y326 WeakPolarHBondContact OH-CD1 3.41Å; Y38-Y326 VanDerWaalsContact OH-CE1 3.28Å; Y38-Y326 WeakPolarHBondContact OH-CE1 3.36Å; M324-Y326 HydrophobicContact CB-CD1 3.92Å; M324-Y326 HydrophobicContact CB-CD2 4.25Å; M324-Y326 HydrophobicContact CB-CE1 3.49Å; M324-Y326 VanDerWaalsContact CB-CE1 3.49Å; M324-Y326 HydrophobicContact CB-CE2 3.86Å; M324-Y326 HydrophobicContact CB-CG 4.3Å; M324-Y326 VanDerWaalsContact CB-CZ 3.48Å; M324-Y326 HydrophobicContact CE-CE1 3.96Å; M324-Y326 WeakPolarHBondContact CE-OH 3.36Å; M324-Y326 HydrophobicContact CG-CE1 4.03Å; M324-Y326 HydrophobicContact CG-CE2 4.48Å; M324-Y326 PolarHBondContact O-N 3.37Å; M324-Y326 HydrophobicContact SD-CE1 4.47Å
327L44.3Very low38.2Very low61 Ų61108 Ų10832%0.31959%0.592SS.*SBendtrans-71.3144.5170.6-67.1172.3000108.6F35 R323 M324 V329F35-L327 HydrophobicContact CD1-CD2 4.06Å; F35-L327 HydrophobicContact CE1-CD2 3.6Å; R323-L327 HydrophobicContact CB-CD1 4.08Å; M324-L327 HydrophobicContact CB-CD1 4.36Å; M324-L327 HydrophobicContact CB-CG 4.4Å; M324-L327 VanDerWaalsContact O-CB 3.31Å; M324-L327 WeakPolarHBondContact O-CB 3.37Å; M324-L327 WeakPolarHBondContact O-CG 3.25Å; M324-L327 PolarHBondContact O-N 3.42Å; L327-V329 PolarHBondContact O-N 2.88Å
328P38.3Very low37.3Very low79 Ų79112.8 Ų112.851%0.51362%0.618SS.*  trans-53.2127.3179.7-26.634.7000111.5Q330P328-Q330 PolarHBondContact O-N 3.38Å; P328-Q330 VanDerWaalsContact O-N 3.07Å
329V37.8Very low36.5Very low94 Ų94118.1 Ų118.157%0.5764%0.643SS**  trans-58.5115159.8176.30000105.6Q222 L327 T331Q222-V329 HydrophobicContact CG-CG2 4.03Å; L327-V329 PolarHBondContact O-N 2.88Å; V329-T331 PolarHBondContact O-N 3.09Å
330Q31.2Very low35.5Very low120 Ų120120 Ų12056%0.56165%0.646SS**  trans-72.3103.7178.6-165.2148.27.700106.8P328 V332P328-Q330 PolarHBondContact O-N 3.38Å; P328-Q330 VanDerWaalsContact O-N 3.07Å; Q330-V332 WeakPolarHBondContact O-CG2 3.39Å; Q330-V332 PolarHBondContact O-N 2.91Å; Q330-V332 VanDerWaalsContact O-N 3.09Å
331T33.5Very low35Very low123 Ų123117.1 Ų117.176%0.75565%0.646SS**  trans-53.3116.5174.540.10000107.9V329 L333V329-T331 PolarHBondContact O-N 3.09Å; T331-L333 VanDerWaalsContact C-N 3.25Å; T331-L333 PolarHBondContact O-N 3.3Å
332V33.7Very low34.2Very low142 Ų142119 Ų11986%0.86166%0.664SS**SBendtrans-76.377.8-166.4-176.40000109.9Q330Q330-V332 WeakPolarHBondContact O-CG2 3.39Å; Q330-V332 PolarHBondContact O-N 2.91Å; Q330-V332 VanDerWaalsContact O-N 3.09Å
333L34.3Very low33.6Very low169 Ų169120.1 Ų120.189%0.88567%0.669SS**  trans-162.827.2167.7-112165000114.4T331T331-L333 VanDerWaalsContact C-N 3.25Å; T331-L333 PolarHBondContact O-N 3.3Å
334E30.8Very low32.7Very low170 Ų170118.3 Ų118.379%0.79467%0.672SS**SBendtrans-116.9123.3152-72.7-166.5136.500107.9
335G28.9Very low31.8Very low68 Ų68122.2 Ų122.270%0.70169%0.693SS**  trans-74.3165.7-175.900000113.6N337G335-N337 PolarHBondContact O-N 2.93Å
336D25.1Very low31.1Very low170 Ų170127.5 Ų127.591%0.90971%0.714SS**  trans-60.8104.7173.3-80.2-48.3000110.6M338D336-M338 PolarHBondContact O-N 3.34Å
337N27Very low29.8Very low166 Ų166136.6 Ų136.689%0.88875%0.754SS**  trans-66.8102.2167.3-88.4-38000109.1G335G335-N337 PolarHBondContact O-N 2.93Å
338M26.7Very low28.8Very low151 Ų151144 Ų14474%0.74478%0.778SS**  trans-55.5158165.8-87-115.457.200111.6D336D336-M338 PolarHBondContact O-N 3.34Å
339E30.5Very low28.3Very low177 Ų177145.6 Ų145.683%0.82779%0.788SS**  trans-70.4135-163-58.8172.1121.800113.5
340T25.9Very low28Very low129 Ų129146.1 Ų146.179%0.79179%0.791SS**  trans-137128.3161.3-34.20000108.4
341P25.9Very low27.7Very low123 Ų123147.4 Ų147.480%0.79980%0.802SS**  trans-75.7145.5-167.228.5-35.6000113.8T343P341-T343 PolarHBondContact O-N 3.25Å
342V24.9Very low27.1Very low135 Ų135146.9 Ų146.982%0.81880%0.803SS**  trans-77.5112.6175.1177.10000110.3
343T27Very low26.7Very low139 Ų139144.6 Ų144.685%0.85380%0.799SS**  trans-80.3131.9159.335.20000110.3P341P341-T343 PolarHBondContact O-N 3.25Å
344L27.7Very low26.4Very low147 Ų147142.7 Ų142.777%0.7780%0.797SS**  trans-79.3119.7-176.2-74.6153.4000111.7
345I26.3Very low26Very low162 Ų162138.5 Ų138.583%0.83179%0.792SS**  trans-132.3106.8144.2-56.5-176.7000108.4
346N24.1Very low26.1Very low144 Ų144141 Ų14177%0.7780%0.799SS**  trans-81.5123.4160.3-77.4-21000107.9
347F22.5Very low26Very low199 Ų199138 Ų13887%0.87379%0.791SS**  trans-152125143.2-114.9-75.2000110.5
348W22.6Very low26.3Very low217 Ų217136.1 Ų136.182%0.82279%0.788SS**  trans-151.7125.8170.9-169.45.2000108.3
349P29.2Very low26.9Very low112 Ų112138.2 Ų138.273%0.72780%0.795SS**  trans-104.3130149.31.718.9000109.3
350V31.5Very low26.9Very low106 Ų106137.8 Ų137.864%0.64280%0.798SS**  trans-69.9140-176.9174.70000111
351D22.8Very low27.4Very low147 Ų147136.2 Ų136.279%0.78679%0.792SS**  trans-173.7158.8132.1-96.3-25.5000114.3
352S22.9Very low28Very low111 Ų111136.9 Ų136.978%0.77679%0.785SS**  trans66.7102.8159.4-62.60000122.1
353A25Very low28.8Very low94 Ų94136.1 Ų136.178%0.77778%0.776SS**  trans60.4137.3134.200000122.5
354P26.7Very low29.9Very low130 Ų130133.8 Ų133.884%0.84476%0.758SS**PPolyproline II helixtrans-86.2129168.534.2-31.1000112.1
355A23.5Very low31Very low82 Ų82131 Ų13168%0.67875%0.747SS**PPolyproline II helixtrans-87141.3170.500000111.5
356S30.1Very low32.1Very low121 Ų121129.3 Ų129.385%0.84674%0.735SS**PPolyproline II helixtrans-84.1123.5-176.5-47.40000112.4
357S24.5Very low33.6Very low107 Ų107125.6 Ų125.675%0.74872%0.721SS**PPolyproline II helixtrans-76.1140.9164.7-54.10000110.7
358P31.5Very low34.9Very low126 Ų126123.1 Ų123.182%0.81871%0.706SS**PPolyproline II helixtrans-73.6152.1-177.430.3-35.3000112.7
359Q39.3Very low36.9Very low194 Ų194117.6 Ų117.691%0.90769%0.692SS**PPolyproline II helixtrans-76.4135.4175.8-63.4177.8-81.800111.6
360L30.8Very low38.1Very low168 Ų168117 Ų11788%0.8868%0.679SS**  trans-123.3142.5153-73.4171.9000107.8H362L360-H362 PolarHBondContact O-N 3.32Å
361S36.2Very low39Very low96 Ų96118.1 Ų118.167%0.67168%0.677SS**  trans-72.6109.6-167.849.80000112.4D363S361-D363 PolarHBondContact O-N 3.02Å
362H39.2Very low40.6Very low138 Ų138118.4 Ų118.464%0.63967%0.668SS**THydrogen-bonded Turntrans-77.9-2.8179.2-166.2-89.1000113.2L360 H366L360-H362 PolarHBondContact O-N 3.32Å; H362-H366 AromaticContact CE1-CD2 3.41Å; H362-H366 PolarHBondContact CE1-CD2 3.37Å; H362-H366 VanDerWaalsContact CE1-CD2 3.41Å; H362-H366 AromaticContact ND1-CD2 3.45Å; H362-H366 PolarHBondContact ND1-CD2 3.34Å
363D42.4Very low42.4Very low119 Ų119115.8 Ų115.864%0.63665%0.653SS**Hα-helixtrans-77.4-33.8-169.7-56.1-60000114.4S361 H366 S367S361-D363 PolarHBondContact O-N 3.02Å; D363-H366 PolarHBondContact O-N 2.92Å; D363-S367 WeakPolarHBondContact O-CB 3.18Å; D363-S367 PolarHBondContact O-N 3.36Å; D363-S367 PolarHBondContact O-OG 3.35Å
364D50Low44.2Very low90 Ų90114.3 Ų114.348%0.48164%0.637SS.*Hα-helixtrans-65.5-46.7-174.1-173.463.3000112.3H366 S367 R368D364-H366 VanDerWaalsContact C-N 3.29Å; D364-H366 PolarHBondContact O-N 3.26Å; D364-S367 PolarHBondContact O-N 3.26Å; D364-R368 VanDerWaalsContact O-CG 3.3Å; D364-R368 WeakPolarHBondContact O-CG 3.46Å; D364-R368 PolarHBondContact O-N 3.33Å; D364-R368 WeakPolarHBondContact OD2-CD 3.34Å; D364-R368 IonicContact OD2-NH1 2.84Å; D364-R368 PolarHBondContact OD2-NH1 2.9Å
365T49.6Very low45.6Very low88 Ų88115 Ų11554%0.5462%0.623SS.*Hα-helixtrans-59.8-40-179.3-14.90000111.9I369T365-I369 WeakPolarHBondContact O-CD1 3.16Å; T365-I369 VanDerWaalsContact O-CG1 3.28Å; T365-I369 WeakPolarHBondContact O-CG1 3.21Å; T365-I369 PolarHBondContact O-N 3.01Å
366H49.9Very low47Very low126 Ų126116.6 Ų116.658%0.58362%0.62SS**Hα-helixtrans-75.3-41-179.9-80.6-85.4000112.4H362 D363 D364 R368 I369 E370H362-H366 AromaticContact CE1-CD2 3.41Å; H362-H366 PolarHBondContact CE1-CD2 3.37Å; H362-H366 VanDerWaalsContact CE1-CD2 3.41Å; H362-H366 AromaticContact ND1-CD2 3.45Å; H362-H366 PolarHBondContact ND1-CD2 3.34Å; D363-H366 PolarHBondContact O-N 2.92Å; D364-H366 VanDerWaalsContact C-N 3.29Å; D364-H366 PolarHBondContact O-N 3.26Å; H366-R368 VanDerWaalsContact C-N 3.28Å; H366-R368 PolarHBondContact O-N 2.93Å; H366-I369 PolarHBondContact O-N 3.07Å; H366-E370 WeakPolarHBondContact O-CB 2.83Å; H366-E370 PolarHBondContact O-N 2.66Å
367S54.4Low48.6Very low67 Ų67113.5 Ų113.547%0.46960%0.601SS.*Hα-helixtrans-61.9-37.5177.4-55.80000111.8D363 D364 E370 H371D363-S367 WeakPolarHBondContact O-CB 3.18Å; D363-S367 PolarHBondContact O-N 3.36Å; D363-S367 PolarHBondContact O-OG 3.35Å; D364-S367 PolarHBondContact O-N 3.26Å; S367-E370 PolarHBondContact O-N 3.47Å; S367-H371 PolarHBondContact O-N 3.3Å
368R50.7Low50.1Low146 Ų146114.9 Ų114.955%0.55160%0.596SS**Hα-helixtrans-67.8-41.6175.9-69.8170.667.4173.62.5112.4D364 H366 H371 Y372D364-R368 VanDerWaalsContact O-CG 3.3Å; D364-R368 WeakPolarHBondContact O-CG 3.46Å; D364-R368 PolarHBondContact O-N 3.33Å; D364-R368 WeakPolarHBondContact OD2-CD 3.34Å; D364-R368 IonicContact OD2-NH1 2.84Å; D364-R368 PolarHBondContact OD2-NH1 2.9Å; H366-R368 VanDerWaalsContact C-N 3.28Å; H366-R368 PolarHBondContact O-N 2.93Å; R368-H371 PolarHBondContact O-N 2.69Å; R368-Y372 WeakPolarHBondContact O-CD2 3.46Å; R368-Y372 PolarHBondContact O-N 3.04Å; R368-Y372 VanDerWaalsContact O-N 3.15Å
369I64Low50.8Low102 Ų102114.8 Ų114.852%0.52359%0.586SS.*Hα-helixtrans-64-41.9174.6-67.4165.2000110.9T365 H366 H371 Y372 A373T365-I369 WeakPolarHBondContact O-CD1 3.16Å; T365-I369 VanDerWaalsContact O-CG1 3.28Å; T365-I369 WeakPolarHBondContact O-CG1 3.21Å; T365-I369 PolarHBondContact O-N 3.01Å; H366-I369 PolarHBondContact O-N 3.07Å; I369-H371 VanDerWaalsContact C-N 3.34Å; I369-H371 PolarHBondContact O-N 3.42Å; I369-Y372 PolarHBondContact O-N 3.07Å; I369-A373 WeakPolarHBondContact O-CB 3.2Å; I369-A373 PolarHBondContact O-N 3.09Å
370E54Low51.5Low100 Ų100113.1 Ų113.147%0.46758%0.578SS.*Hα-helixtrans-61.2-41176.7-160.1165.7-134.600111R178 H366 S367 A373 S374R178-E370 IonicContact NH2-OE1 3.73Å; R178-E370 PolarHBondContact NH2-OE1 3.29Å; R178-E370 IonicContact NH2-OE2 2.66Å; H366-E370 WeakPolarHBondContact O-CB 2.83Å; H366-E370 PolarHBondContact O-N 2.66Å; S367-E370 PolarHBondContact O-N 3.47Å; E370-A373 PolarHBondContact O-N 2.86Å; E370-S374 PolarHBondContact O-N 3.16Å; E370-S374 PolarHBondContact O-OG 2.97Å; E370-S374 VanDerWaalsContact O-OG 3.12Å
371H52.1Low52.2Low128 Ų128111.8 Ų111.859%0.59357%0.572SS**Hα-helixtrans-64.7-41.8175.8-168.9-36.6000113.4S367 R368 I369 R375S367-H371 PolarHBondContact O-N 3.3Å; R368-H371 PolarHBondContact O-N 2.69Å; I369-H371 VanDerWaalsContact C-N 3.34Å; I369-H371 PolarHBondContact O-N 3.42Å; H371-R375 PolarHBondContact O-N 3.32Å
372Y55.5Low52.6Low153 Ų153111.8 Ų111.860%0.657%0.572SS**Hα-helixtrans-69.3-38.1177-72.7-65.8000112.1R368 I369 R375 L376R368-Y372 WeakPolarHBondContact O-CD2 3.46Å; R368-Y372 PolarHBondContact O-N 3.04Å; R368-Y372 VanDerWaalsContact O-N 3.15Å; I369-Y372 PolarHBondContact O-N 3.07Å; Y372-R375 PolarHBondContact O-N 3.38Å; Y372-L376 PolarHBondContact O-N 3.39Å
373A60.7Low52.9Low57 Ų57112.4 Ų112.447%0.47158%0.58SS.*Hα-helixtrans-63.4-45.3177.100000112.4I369 E370 R375 L376 A377I369-A373 WeakPolarHBondContact O-CB 3.2Å; I369-A373 PolarHBondContact O-N 3.09Å; E370-A373 PolarHBondContact O-N 2.86Å; A373-R375 PolarHBondContact O-N 3.5Å; A373-L376 PolarHBondContact O-N 3.27Å; A373-A377 PolarHBondContact O-N 3.17Å; A373-A377 VanDerWaalsContact O-N 3.13Å
374S62.8Low52.7Low63 Ų63110.1 Ų110.144%0.44159%0.585SS.*Hα-helixtrans-60-44176.6-63.60000112.3E370 L376 A377 E378E370-S374 PolarHBondContact O-N 3.16Å; E370-S374 PolarHBondContact O-OG 2.97Å; E370-S374 VanDerWaalsContact O-OG 3.12Å; S374-L376 VanDerWaalsContact C-N 3.29Å; S374-L376 PolarHBondContact O-N 3.35Å; S374-A377 PolarHBondContact O-N 2.9Å; S374-E378 WeakPolarHBondContact O-CG 3.37Å; S374-E378 PolarHBondContact O-N 2.81Å
375R56Low52.2Low144 Ų144110 Ų11054%0.54359%0.591SS.*Hα-helixtrans-64.5-30179.8-119.3-171.465.7173.2-1.4113.7H371 Y372 A373 M379H371-R375 PolarHBondContact O-N 3.32Å; Y372-R375 PolarHBondContact O-N 3.38Å; A373-R375 PolarHBondContact O-N 3.5Å; R375-M379 PolarHBondContact O-N 3.15Å
376L53.9Low51.7Low116 Ų116116.5 Ų116.561%0.60761%0.607SS**Hα-helixtrans-73.2-44.6174.4-74.5165.5000111.2Y372 A373 S374 E378 M379 E380Y372-L376 PolarHBondContact O-N 3.39Å; A373-L376 PolarHBondContact O-N 3.27Å; S374-L376 VanDerWaalsContact C-N 3.29Å; S374-L376 PolarHBondContact O-N 3.35Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.32Å; L376-M379 PolarHBondContact O-N 2.92Å; L376-M379 VanDerWaalsContact O-N 3.14Å; L376-E380 PolarHBondContact O-N 3.26Å; L376-E380 VanDerWaalsContact O-N 3.1Å
377A63.2Low51.2Low55 Ų55118.9 Ų118.946%0.45562%0.623SS.*Hα-helixtrans-62.1-36.6176.800000112.7A373 S374 N381A373-A377 PolarHBondContact O-N 3.17Å; A373-A377 VanDerWaalsContact O-N 3.13Å; S374-A377 PolarHBondContact O-N 2.9Å; A377-N381 WeakPolarHBondContact O-CB 3.37Å; A377-N381 PolarHBondContact O-N 3.21Å; A377-N381 VanDerWaalsContact O-N 3.13Å
378E56.9Low50.2Low137 Ų137123.4 Ų123.464%0.6464%0.642SS**Hα-helixtrans-65.1-35.5174.3-73.3174.816400112.7S374 L376 S382S374-E378 WeakPolarHBondContact O-CG 3.37Å; S374-E378 PolarHBondContact O-N 2.81Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.32Å; E378-S382 PolarHBondContact O-N 2.71Å
379M45.8Very low49.4Very low123 Ų123123.4 Ų123.461%0.60665%0.653SS**Hα-helixtrans-70.3-42.9175.7-79.9-175.8154.300112.7R375 L376 N381 S382R375-M379 PolarHBondContact O-N 3.15Å; L376-M379 PolarHBondContact O-N 2.92Å; L376-M379 VanDerWaalsContact O-N 3.14Å; M379-N381 VanDerWaalsContact C-N 3.32Å; M379-N381 PolarHBondContact O-N 3.28Å; M379-S382 PolarHBondContact O-N 2.91Å
380E52.9Low48.4Very low160 Ų160123.1 Ų123.175%0.74866%0.66SS**Hα-helixtrans-62.1-40.7176.1-70-170.5132.800111.8L376 S382L376-E380 PolarHBondContact O-N 3.26Å; L376-E380 VanDerWaalsContact O-N 3.1Å; E380-S382 VanDerWaalsContact C-N 3.32Å; E380-S382 PolarHBondContact O-N 2.78Å
381N46.8Very low47.5Very low140 Ų140126.5 Ų126.575%0.74968%0.679SS**Hα-helixtrans-71.9-24.2-176.6-152.222.3000113.2A377 M379A377-N381 WeakPolarHBondContact O-CB 3.37Å; A377-N381 PolarHBondContact O-N 3.21Å; A377-N381 VanDerWaalsContact O-N 3.13Å; M379-N381 VanDerWaalsContact C-N 3.32Å; M379-N381 PolarHBondContact O-N 3.28Å
382S44.7Very low46.7Very low95 Ų95125.3 Ų125.366%0.66469%0.686SS**Hα-helixtrans-77.4-30.5179.3-162.20000113.5E378 M379 E380E378-S382 PolarHBondContact O-N 2.71Å; M379-S382 PolarHBondContact O-N 2.91Å; E380-S382 VanDerWaalsContact C-N 3.32Å; E380-S382 PolarHBondContact O-N 2.78Å
383N44Very low46.2Very low152 Ų152123.7 Ų123.781%0.81369%0.694SS**Hα-helixtrans-86.4-9-176.5-82.6-0.6000114.7
384G39.2Very low45.3Very low71 Ų71128.6 Ų128.673%0.73271%0.712SS**SBendtrans-90.54.3-16800000117.6
385S39.3Very low44.5Very low88 Ų88135 Ų13562%0.61574%0.735SS**  trans-115.823.3-156.5-166.40000117.6
386Y38.5Very low44.1Very low223 Ų223131.8 Ų131.888%0.87574%0.735SS**SBendtrans-136.8143.7167-68.8-74.7000112.5
387L39Very low43.8Very low177 Ų177132 Ų13293%0.92774%0.735SS**  trans64.579.7177.6-52.1-177.9000116.7
388N33.3Very low43.3Very low162 Ų162135.5 Ų135.587%0.86675%0.746SS**  -155.7101.4129.2-165.38.9000111.8
389D34.4Very low43.3Very low146 Ų146135.1 Ų135.178%0.78175%0.749SS**  trans-151.4117.3154.2-147.1-26.9000111.5
390S44.1Very low43.7Very low95 Ų95135.1 Ų135.166%0.66475%0.747SS**  trans53.399.7156.1-59.90000120.8
391I34.8Very low43.9Very low171 Ų171133.5 Ų133.588%0.87774%0.739SS**  trans-158.6156.2141.4-108.8151000112.3
392S34.5Very low44.6Very low104 Ų104132 Ų13273%0.72773%0.73SS**  trans-84.7146.3-177.9-165.80000112.2N394S392-N394 PolarHBondContact O-N 2.69Å
393P44.9Very low45.4Very low119 Ų119133.5 Ų133.577%0.77373%0.731SS**SBendtrans-82.8107-170.831.5-34.9000113.7
394N42.8Very low46.1Very low160 Ų160131 Ų13186%0.85672%0.716SS**SBendtrans-166.2-19.7141-131.426.3000118.1S392S392-N394 PolarHBondContact O-N 2.69Å
395E45.1Very low46.8Very low197 Ų197133 Ų13392%0.92171%0.707SS**SBendtrans-116.617.6-161.4-62.8-172.913800116.3
396S48.5Very low47.4Very low76 Ų76134.9 Ų134.953%0.53171%0.705SS.*  trans-97.2-4.2-167.2-162.70000117.3
397I46.7Very low48Very low120 Ų120131.8 Ų131.862%0.61569%0.693SS**Hα-helixtrans-79.7-33.4-165.9-74.3173.2000113.9H401I397-H401 PolarHBondContact O-CD2 3.15Å
398D53.3Low48.7Very low129 Ų129126.9 Ų126.969%0.6967%0.673SS**Hα-helixtrans-78.9-28.7-170.4-67.7-32.3000113.7
399D56.2Low49.5Very low129 Ų129124.7 Ų124.769%0.6966%0.657SS**Hα-helixtrans-71.6-35.2179.3-102.1-10.5000112.7H401 L402 L403D399-H401 VanDerWaalsContact C-N 3.32Å; D399-H401 PolarHBondContact O-N 3.36Å; D399-L402 PolarHBondContact O-N 2.93Å; D399-L403 PolarHBondContact O-N 3.29Å
400E55.7Low50.3Low124 Ų124121.2 Ų121.258%0.57964%0.644SS**Hα-helixtrans-63.6-39179.1-64.4-168140.200111.5L403 I404E400-L403 PolarHBondContact O-N 3.4Å; E400-I404 WeakPolarHBondContact O-CD1 3.26Å; E400-I404 VanDerWaalsContact O-CG1 3.25Å; E400-I404 WeakPolarHBondContact O-CG1 3.13Å; E400-I404 PolarHBondContact O-N 3Å
401H56.5Low50.6Low125 Ų125122.5 Ų122.558%0.57964%0.643SS**Hα-helixtrans-66.5-37.4177.5-76.4-55.5000113I397 D399 Q405I397-H401 PolarHBondContact O-CD2 3.15Å; D399-H401 VanDerWaalsContact C-N 3.32Å; D399-H401 PolarHBondContact O-N 3.36Å; H401-Q405 WeakPolarHBondContact O-CB 3.39Å; H401-Q405 PolarHBondContact O-N 3.04Å; H401-Q405 VanDerWaalsContact O-N 3.07Å
402L61.9Low51.2Low108 Ų108121.2 Ų121.257%0.56564%0.638SS**Hα-helixtrans-66.1-41.9173.2-81.9162.2000111.9D399 Q405 H406D399-L402 PolarHBondContact O-N 2.93Å; L402-Q405 PolarHBondContact O-N 3.26Å; L402-H406 PolarHBondContact O-N 3.44Å
403L61.1Low51.6Low127 Ų127123.8 Ų123.867%0.66564%0.639SS**Hα-helixtrans-64.5-43.3178.7-171.663.4000111.9D399 E400 H406 Y407D399-L403 PolarHBondContact O-N 3.29Å; E400-L403 PolarHBondContact O-N 3.4Å; L403-H406 PolarHBondContact O-N 2.77Å; L403-Y407 PolarHBondContact O-N 3.34Å
404I58.4Low51.3Low99 Ų99125.6 Ų125.651%0.50864%0.642SS.*Hα-helixtrans-60.8-45174.2-68.9163.5000110.7E400 H406 Y407 C408E400-I404 WeakPolarHBondContact O-CD1 3.26Å; E400-I404 VanDerWaalsContact O-CG1 3.25Å; E400-I404 WeakPolarHBondContact O-CG1 3.13Å; E400-I404 PolarHBondContact O-N 3Å; I404-H406 VanDerWaalsContact C-N 3.33Å; I404-H406 PolarHBondContact O-N 3.48Å; I404-Y407 PolarHBondContact O-N 3.5Å; I404-C408 PolarHBondContact O-N 3Å; I404-C408 PolarHBondContact O-SG 3.21Å; I404-C408 VanDerWaalsContact O-SG 3.39Å
405Q54Low50.9Low114 Ų114123.2 Ų123.253%0.53364%0.638SS.*Hα-helixtrans-61.5-40179.3-172.5175.710.200112.3H401 L402 Q409H401-Q405 WeakPolarHBondContact O-CB 3.39Å; H401-Q405 PolarHBondContact O-N 3.04Å; H401-Q405 VanDerWaalsContact O-N 3.07Å; L402-Q405 PolarHBondContact O-N 3.26Å; Q405-Q409 WeakPolarHBondContact O-CG 3.45Å; Q405-Q409 PolarHBondContact O-N 2.82Å
406H51.8Low50.9Low127 Ų127119.4 Ų119.459%0.58863%0.63SS**Hα-helixtrans-64.4-44.1174.8-169.1-80.1000111.5L402 L403 I404 C408 Q409 S410L402-H406 PolarHBondContact O-N 3.44Å; L403-H406 PolarHBondContact O-N 2.77Å; I404-H406 VanDerWaalsContact C-N 3.33Å; I404-H406 PolarHBondContact O-N 3.48Å; H406-C408 PolarHBondContact O-N 3.39Å; H406-Q409 PolarHBondContact O-N 2.92Å; H406-Q409 VanDerWaalsContact O-N 3.13Å; H406-S410 PolarHBondContact O-N 3.03Å; H406-S410 VanDerWaalsContact O-N 3.1Å; H406-S410 PolarHBondContact O-OG 3.45Å
407Y50.2Low50.8Low159 Ų159124.3 Ų124.362%0.62465%0.649SS**Hα-helixtrans-62.5-42.4179.3-147-95.9000112.3L403 I404 Q409 S410 L411L403-Y407 PolarHBondContact O-N 3.34Å; I404-Y407 PolarHBondContact O-N 3.5Å; Y407-Q409 PolarHBondContact O-N 3.43Å; Y407-S410 PolarHBondContact O-N 3.36Å; Y407-L411 HydrophobicContact CD1-CD1 3.76Å; Y407-L411 HydrophobicContact CD1-CG 4.27Å; Y407-L411 HydrophobicContact CE1-CD1 3.97Å; Y407-L411 HydrophobicContact CE1-CG 4.38Å; Y407-L411 WeakPolarHBondContact O-CG 3.46Å; Y407-L411 PolarHBondContact O-N 2.77Å
408C55.5Low50.7Low73 Ų73124 Ų12449%0.49366%0.657SS.*Hα-helixtrans-64-24.9174.9-690000113.9I404 H406 N412I404-C408 PolarHBondContact O-N 3Å; I404-C408 PolarHBondContact O-SG 3.21Å; I404-C408 VanDerWaalsContact O-SG 3.39Å; H406-C408 PolarHBondContact O-N 3.39Å; C408-N412 PolarHBondContact O-ND2 3.07Å
409Q49.1Very low50.3Low117 Ų117126.5 Ų126.555%0.54767%0.665SS.*Hα-helixtrans-81.5-34.8174.3-70.9178.99.400112.3Q405 H406 Y407Q405-Q409 WeakPolarHBondContact O-CG 3.45Å; Q405-Q409 PolarHBondContact O-N 2.82Å; H406-Q409 PolarHBondContact O-N 2.92Å; H406-Q409 VanDerWaalsContact O-N 3.13Å; Y407-Q409 PolarHBondContact O-N 3.43Å
410S50.5Low49.7Very low72 Ų72126.2 Ų126.250%0.50367%0.67SS.*Hα-helixtrans-66.7-35.4176.6-560000113.2H406 Y407 N412H406-S410 PolarHBondContact O-N 3.03Å; H406-S410 VanDerWaalsContact O-N 3.1Å; H406-S410 PolarHBondContact O-OG 3.45Å; Y407-S410 PolarHBondContact O-N 3.36Å; S410-N412 VanDerWaalsContact C-N 3.26Å; S410-N412 PolarHBondContact O-N 2.81Å
411L51Low49.6Very low123 Ų123128 Ų12864%0.64467%0.672SS**THydrogen-bonded Turntrans-73-8.7-176.9-71.3170.4000115.3Y407Y407-L411 HydrophobicContact CD1-CD1 3.76Å; Y407-L411 HydrophobicContact CD1-CG 4.27Å; Y407-L411 HydrophobicContact CE1-CD1 3.97Å; Y407-L411 HydrophobicContact CE1-CG 4.38Å; Y407-L411 WeakPolarHBondContact O-CG 3.46Å; Y407-L411 PolarHBondContact O-N 2.77Å
412N48.5Very low49.5Very low143 Ų143124.5 Ų124.577%0.76566%0.661SS**THydrogen-bonded Turntrans-995.9-169.5-89.2-20.9000115.5C408 S410C408-N412 PolarHBondContact O-ND2 3.07Å; S410-N412 VanDerWaalsContact C-N 3.26Å; S410-N412 PolarHBondContact O-N 2.81Å
413Q43Very low48.9Very low159 Ų159124.7 Ų124.774%0.74367%0.669SS**SBendtrans-103.8-25-169.7-60.2-1662300115.8
414D37.2Very low48.6Very low156 Ų156121.6 Ų121.683%0.83466%0.662SS**SBendtrans-108.894.1-170.4-84.6-54000115.4
415S34.2Very low48.5Very low111 Ų111121.8 Ų121.878%0.77666%0.66SS**  trans68.8157156.1-64.90000119.7
416P45.4Very low48.9Very low116 Ų116120.6 Ų120.675%0.75366%0.657SS**SBendtrans-117.8110.6-162.835.3-19000113.9
417L47.3Very low49.2Very low179 Ų179119.7 Ų119.794%0.93766%0.656SS**  trans-179.144.2146.5-102.5164000115.3
418S43.6Very low50Low113 Ų113117.2 Ų117.279%0.7965%0.652SS**  trans-149.394.6170.537.60000112.5
419Q45.3Very low50.3Low183 Ų183115 Ų11586%0.85564%0.637SS**  trans-64.6132.9167.4-169.3175.42200108.9R421Q419-R421 PolarHBondContact O-N 2.73Å
420P42.5Very low51Low122 Ų122113.7 Ų113.779%0.79263%0.634SS**  trans-64.6113.4-17724.7-33.4000110.3S422P420-S422 PolarHBondContact O-N 3.28Å
421R55.5Low51.7Low162 Ų162115.9 Ų115.961%0.61164%0.636SS**  trans-65.1130.1173.6-72.9-171.8-178.1-177.15.6108.9Q419 Q425 I426 S429Q419-R421 PolarHBondContact O-N 2.73Å; R421-Q425 HydrophobicContact CB-CB 4.17Å; R421-I426 HydrophobicContact CB-CG1 4.03Å; R421-S429 PolarHBondContact NH1-OG 3.16Å
422S53.1Low52.6Low52 Ų52113.4 Ų113.436%0.36463%0.629SS.*  trans-61.9153.8172.562.90000110.7P420 A424 Q425 I426P420-S422 PolarHBondContact O-N 3.28Å; S422-A424 PolarHBondContact O-N 3.04Å; S422-A424 VanDerWaalsContact O-N 3.1Å; S422-Q425 WeakPolarHBondContact O-CA 3.43Å; S422-Q425 WeakPolarHBondContact O-CB 3.14Å; S422-Q425 PolarHBondContact O-N 3.49Å; S422-Q425 VanDerWaalsContact OG-CD 3.32Å; S422-Q425 WeakPolarHBondContact OG-CG 3.32Å; S422-Q425 PolarHBondContact OG-OE1 3.33Å; S422-I426 PolarHBondContact O-N 2.93Å
423P49.4Very low53.7Low112 Ų112113 Ų11373%0.72762%0.622SS**Hα-helixtrans-52.7-36.2-179.8-29.736.4000113.9Q425 I426 L427P423-Q425 PolarHBondContact O-N 3.07Å; P423-I426 PolarHBondContact O-N 2.99Å; P423-L427 PolarHBondContact O-N 3.11Å
424A54.6Low54.9Low61 Ų61111.9 Ų111.950%0.50462%0.618SS.*Hα-helixtrans-62.4-38174.700000113.1S422 I426 L427 I428S422-A424 PolarHBondContact O-N 3.04Å; S422-A424 VanDerWaalsContact O-N 3.1Å; A424-I426 VanDerWaalsContact C-N 3.34Å; A424-L427 PolarHBondContact O-N 3.28Å; A424-I428 WeakPolarHBondContact O-CD1 3.36Å; A424-I428 VanDerWaalsContact O-CG1 3.25Å; A424-I428 WeakPolarHBondContact O-CG1 3.44Å; A424-I428 PolarHBondContact O-N 3.2Å
425Q57.7Low56.6Low104 Ų104112.1 Ų112.149%0.48661%0.607SS.*Hα-helixtrans-74.4-25177.4-70.2164.1-48.300112.6R421 S422 P423 S429R421-Q425 HydrophobicContact CB-CB 4.17Å; S422-Q425 WeakPolarHBondContact O-CA 3.43Å; S422-Q425 WeakPolarHBondContact O-CB 3.14Å; S422-Q425 PolarHBondContact O-N 3.49Å; S422-Q425 VanDerWaalsContact OG-CD 3.32Å; S422-Q425 WeakPolarHBondContact OG-CG 3.32Å; S422-Q425 PolarHBondContact OG-OE1 3.33Å; P423-Q425 PolarHBondContact O-N 3.07Å; Q425-S429 PolarHBondContact O-N 2.92Å; Q425-S429 PolarHBondContact O-OG 3.15Å
426I61.3Low58.9Low88 Ų88108.2 Ų108.245%0.45158%0.584SS.*Hα-helixtrans-70.7-47.5170.5-62.9170.6000109.2R421 S422 P423 A424 I428 S429 L430R421-I426 HydrophobicContact CB-CG1 4.03Å; S422-I426 PolarHBondContact O-N 2.93Å; P423-I426 PolarHBondContact O-N 2.99Å; A424-I426 VanDerWaalsContact C-N 3.34Å; I426-I428 PolarHBondContact O-N 3.21Å; I426-S429 WeakPolarHBondContact O-CB 3.35Å; I426-S429 PolarHBondContact O-N 2.81Å; I426-L430 HydrophobicContact CG2-CD1 4.15Å; I426-L430 PolarHBondContact O-N 2.97Å
427L58.6Low60.4Low108 Ų108107.3 Ų107.357%0.56557%0.569SS**Hα-helixtrans-57.5-49.1178-149.978000112P423 A424 S429 L430 E431P423-L427 PolarHBondContact O-N 3.11Å; A424-L427 PolarHBondContact O-N 3.28Å; L427-S429 PolarHBondContact O-N 3.48Å; L427-L430 PolarHBondContact O-N 3.06Å; L427-L430 VanDerWaalsContact O-N 3.16Å; L427-E431 PolarHBondContact O-N 3.29Å
428I66.4Low61.5Low107 Ų107104.4 Ų104.455%0.54956%0.555SS.*Hα-helixtrans-62.1-30.7176.6-67.6163.4000112.1A424 I426 S432A424-I428 WeakPolarHBondContact O-CD1 3.36Å; A424-I428 VanDerWaalsContact O-CG1 3.25Å; A424-I428 WeakPolarHBondContact O-CG1 3.44Å; A424-I428 PolarHBondContact O-N 3.2Å; I426-I428 PolarHBondContact O-N 3.21Å; I428-S432 WeakPolarHBondContact O-CB 3.47Å; I428-S432 PolarHBondContact O-N 3.13Å; I428-S432 PolarHBondContact O-OG 3.13Å
429S62.6Low63.2Low27 Ų27104 Ų10419%0.18954%0.54CS..Hα-helixtrans-67.8-48.2174.7-56.40000110.5R421 Q425 I426 L427 S432 E433R421-S429 PolarHBondContact NH1-OG 3.16Å; Q425-S429 PolarHBondContact O-N 2.92Å; Q425-S429 PolarHBondContact O-OG 3.15Å; I426-S429 WeakPolarHBondContact O-CB 3.35Å; I426-S429 PolarHBondContact O-N 2.81Å; L427-S429 PolarHBondContact O-N 3.48Å; S429-S432 PolarHBondContact O-N 3.22Å; S429-S432 VanDerWaalsContact O-N 3.15Å; S429-S432 PolarHBondContact O-OG 2.8Å; S429-E433 PolarHBondContact O-N 3.46Å
430L62.3Low65.2Low89 Ų89101.6 Ų101.647%0.46652%0.523SS..Hα-helixtrans-63.2-46.3179.9-66.4169000111.8I426 L427 S432 E433 E434I426-L430 HydrophobicContact CG2-CD1 4.15Å; I426-L430 PolarHBondContact O-N 2.97Å; L427-L430 PolarHBondContact O-N 3.06Å; L427-L430 VanDerWaalsContact O-N 3.16Å; L430-S432 PolarHBondContact O-N 3.32Å; L430-E433 PolarHBondContact O-N 3.3Å; L430-E433 VanDerWaalsContact O-N 3.07Å; L430-E434 PolarHBondContact O-N 3.35Å
431E65.6Low67Low118 Ų11899.7 Ų99.755%0.55151%0.505SS*.Hα-helixtrans-58-33.3174.4-71.6-179.5152.100112.2L427 R435L427-E431 PolarHBondContact O-N 3.29Å; E431-R435 WeakPolarHBondContact O-CB 3.31Å; E431-R435 PolarHBondContact O-N 3.1Å; E431-R435 VanDerWaalsContact O-N 3.1Å
432S70.6Confident68Low72 Ų7296.9 Ų96.950%0.50350%0.502SS..Hα-helixtrans-75.1-32.2176.478.10000113.5I428 S429 L430 G436I428-S432 WeakPolarHBondContact O-CB 3.47Å; I428-S432 PolarHBondContact O-N 3.13Å; I428-S432 PolarHBondContact O-OG 3.13Å; S429-S432 PolarHBondContact O-N 3.22Å; S429-S432 VanDerWaalsContact O-N 3.15Å; S429-S432 PolarHBondContact O-OG 2.8Å; L430-S432 PolarHBondContact O-N 3.32Å; S432-G436 PolarHBondContact O-N 3.08Å
433E71.1Confident69.6Low133 Ų13396.8 Ų96.862%0.62150%0.504SS*.Hα-helixtrans-76.1-44.8176.8-72178.5158.900111.3S429 L430 R435 G436 E437S429-E433 PolarHBondContact O-N 3.46Å; L430-E433 PolarHBondContact O-N 3.3Å; L430-E433 VanDerWaalsContact O-N 3.07Å; E433-R435 VanDerWaalsContact C-N 3.32Å; E433-R435 PolarHBondContact O-N 3.48Å; E433-G436 CarbonylContact O-C 3.57Å; E433-G436 PolarHBondContact O-N 3.23Å; E433-G436 VanDerWaalsContact O-N 3.14Å; E433-E437 PolarHBondContact O-N 2.81Å
434E68.8Low71.3Confident137 Ų13796.6 Ų96.664%0.6450%0.497SS*.Hα-helixtrans-60-41.7173-71-173.1161.500111.5L430 E437 L438L430-E434 PolarHBondContact O-N 3.35Å; E434-E437 PolarHBondContact O-N 3.16Å; E434-L438 PolarHBondContact O-N 3.41Å
435R73.4Confident72.3Confident161 Ų16198.4 Ų98.461%0.60850%0.498SS*.Hα-helixtrans-63.1-41.9173.4179.8177.4167.2164.80.6112.1E431 E433 E437 L438 E439E431-R435 WeakPolarHBondContact O-CB 3.31Å; E431-R435 PolarHBondContact O-N 3.1Å; E431-R435 VanDerWaalsContact O-N 3.1Å; E433-R435 VanDerWaalsContact C-N 3.32Å; E433-R435 PolarHBondContact O-N 3.48Å; R435-E437 PolarHBondContact O-N 3.42Å; R435-L438 PolarHBondContact O-N 3.24Å; R435-E439 HydrophobicContact CG-CG 4.44Å; R435-E439 IonicContact CZ-OE1 2.72Å; R435-E439 IonicContact NE-OE1 2.69Å; R435-E439 PolarHBondContact NE-OE1 3.06Å; R435-E439 IonicContact NH2-OE1 3.65Å; R435-E439 PolarHBondContact NH2-OE1 3.34Å; R435-E439 WeakPolarHBondContact O-CG 3.47Å; R435-E439 PolarHBondContact O-N 3.37Å
436G82.6Confident73.6Confident29 Ų2998.3 Ų98.330%0.29950%0.497SS..Hα-helixtrans-67.6-20.3175.600000114.1S432 E433 R440S432-G436 PolarHBondContact O-N 3.08Å; E433-G436 CarbonylContact O-C 3.57Å; E433-G436 PolarHBondContact O-N 3.23Å; E433-G436 VanDerWaalsContact O-N 3.14Å; G436-R440 PolarHBondContact O-NE 3.27Å
437E76.9Confident74.9Confident96 Ų9699.3 Ų99.345%0.44950%0.5SS..Hα-helixtrans-79.4-44.5168.4-174.1128.5-93.800112E433 E434 R435 E439 R440 I441E433-E437 PolarHBondContact O-N 2.81Å; E434-E437 PolarHBondContact O-N 3.16Å; R435-E437 PolarHBondContact O-N 3.42Å; E437-E439 PolarHBondContact O-N 2.94Å; E437-R440 WeakPolarHBondContact O-CB 3.43Å; E437-R440 PolarHBondContact O-N 2.75Å; E437-R440 IonicContact OE1-CZ 3.19Å; E437-R440 VanDerWaalsContact OE1-CZ 3.22Å; E437-R440 IonicContact OE1-NH1 2.73Å; E437-R440 PolarHBondContact OE1-NH1 2.94Å; E437-R440 IonicContact OE1-NH2 2.75Å; E437-R440 PolarHBondContact OE1-NH2 2.9Å; E437-I441 HydrophobicContact CG-CD1 3.84Å; E437-I441 WeakPolarHBondContact O-CG1 3.44Å; E437-I441 PolarHBondContact O-N 3.39Å
438L68.6Low75.9Confident119 Ų11999.8 Ų99.862%0.62350%0.499SS*.Hα-helixtrans-60.6-41.6174.6-75.8163.6000112.5E434 R435 R440 I441 L442E434-L438 PolarHBondContact O-N 3.41Å; R435-L438 PolarHBondContact O-N 3.24Å; L438-R440 VanDerWaalsContact C-N 3.32Å; L438-R440 PolarHBondContact O-N 3.42Å; L438-I441 PolarHBondContact O-N 2.89Å; L438-L442 WeakPolarHBondContact O-CB 3.48Å; L438-L442 PolarHBondContact O-N 3.25Å
439E80.7Confident76.5Confident104 Ų10499.8 Ų99.849%0.48650%0.501SS..Hα-helixtrans-67.2-30.1176.7-72.8178.9-178.400112.5R435 E437 A443R435-E439 HydrophobicContact CG-CG 4.44Å; R435-E439 IonicContact CZ-OE1 2.72Å; R435-E439 IonicContact NE-OE1 2.69Å; R435-E439 PolarHBondContact NE-OE1 3.06Å; R435-E439 IonicContact NH2-OE1 3.65Å; R435-E439 PolarHBondContact NH2-OE1 3.34Å; R435-E439 WeakPolarHBondContact O-CG 3.47Å; R435-E439 PolarHBondContact O-N 3.37Å; E437-E439 PolarHBondContact O-N 2.94Å; E439-A443 PolarHBondContact O-N 3.46Å
440R86.4Confident77.7Confident132 Ų132104.4 Ų104.450%0.49851%0.514SS..Hα-helixtrans-68.9-52.3169.3-83.1-177.2-72.6118.8-9.4112.2G436 E437 L438 L442 A443 D444G436-R440 PolarHBondContact O-NE 3.27Å; E437-R440 WeakPolarHBondContact O-CB 3.43Å; E437-R440 PolarHBondContact O-N 2.75Å; E437-R440 IonicContact OE1-CZ 3.19Å; E437-R440 VanDerWaalsContact OE1-CZ 3.22Å; E437-R440 IonicContact OE1-NH1 2.73Å; E437-R440 PolarHBondContact OE1-NH1 2.94Å; E437-R440 IonicContact OE1-NH2 2.75Å; E437-R440 PolarHBondContact OE1-NH2 2.9Å; L438-R440 VanDerWaalsContact C-N 3.32Å; L438-R440 PolarHBondContact O-N 3.42Å; R440-L442 PolarHBondContact O-N 3.42Å; R440-A443 WeakPolarHBondContact O-CB 3.3Å; R440-A443 PolarHBondContact O-N 2.63Å; R440-D444 PolarHBondContact O-N 2.69Å
441I81.3Confident78.8Confident82 Ų82104.9 Ų104.942%0.42152%0.517SS..Hα-helixtrans-59.6-36.3-178.2-67.7165.2000110.7E437 L438 L445E437-I441 HydrophobicContact CG-CD1 3.84Å; E437-I441 WeakPolarHBondContact O-CG1 3.44Å; E437-I441 PolarHBondContact O-N 3.39Å; L438-I441 PolarHBondContact O-N 2.89Å; I441-L445 HydrophobicContact CG2-CD1 3.92Å; I441-L445 HydrophobicContact CG2-CG 4.45Å; I441-L445 WeakPolarHBondContact O-CB 3.36Å; I441-L445 VanDerWaalsContact O-CG 3.25Å; I441-L445 WeakPolarHBondContact O-CG 3.41Å; I441-L445 PolarHBondContact O-N 3.49Å
442L75.9Confident79.4Confident104 Ų104104 Ų10455%0.54552%0.516SS..Hα-helixtrans-63.5-45.5173.3-169.671.4000111.9L438 R440 L445 E446L438-L442 WeakPolarHBondContact O-CB 3.48Å; L438-L442 PolarHBondContact O-N 3.25Å; R440-L442 PolarHBondContact O-N 3.42Å; L442-L445 PolarHBondContact O-N 2.61Å; L442-E446 WeakPolarHBondContact O-CB 3.38Å; L442-E446 WeakPolarHBondContact O-CG 3.5Å; L442-E446 PolarHBondContact O-N 3.31Å
443A87.2Confident79.8Confident49 Ų49105.1 Ų105.141%0.40551%0.513SS..Hα-helixtrans-64.9-40.3178.800000112.8E439 R440 E446 E447E439-A443 PolarHBondContact O-N 3.46Å; R440-A443 WeakPolarHBondContact O-CB 3.3Å; R440-A443 PolarHBondContact O-N 2.63Å; A443-E446 PolarHBondContact O-N 2.74Å; A443-E447 PolarHBondContact O-N 3.01Å
444D84.4Confident80.5Confident109 Ų109101.7 Ų101.758%0.58351%0.507SS*.Hα-helixtrans-63.3-46.5175.4-66.7-25.9000110.9R440 E447 E448R440-D444 PolarHBondContact O-N 2.69Å; D444-E447 PolarHBondContact O-N 3.36Å; D444-E447 VanDerWaalsContact O-N 3.14Å; D444-E448 PolarHBondContact O-N 3.24Å
445L76.4Confident80.9Confident98 Ų9899.9 Ų99.951%0.51350%0.499SS..Hα-helixtrans-65.3-37.2176.3-74.6170.8000112.5I441 L442 E447 N449I441-L445 HydrophobicContact CG2-CD1 3.92Å; I441-L445 HydrophobicContact CG2-CG 4.45Å; I441-L445 WeakPolarHBondContact O-CB 3.36Å; I441-L445 VanDerWaalsContact O-CG 3.25Å; I441-L445 WeakPolarHBondContact O-CG 3.41Å; I441-L445 PolarHBondContact O-N 3.49Å; L442-L445 PolarHBondContact O-N 2.61Å; L445-E447 VanDerWaalsContact C-N 3.3Å; L445-N449 WeakPolarHBondContact O-CB 3.48Å; L445-N449 PolarHBondContact O-N 3.06Å
446E84.9Confident80.9Confident102 Ų10299.1 Ų99.148%0.47750%0.497SS..Hα-helixtrans-64.9-34.5172.1-76.5-171.7-175.700112L442 A443 R450L442-E446 WeakPolarHBondContact O-CB 3.38Å; L442-E446 WeakPolarHBondContact O-CG 3.5Å; L442-E446 PolarHBondContact O-N 3.31Å; A443-E446 PolarHBondContact O-N 2.74Å; E446-R450 WeakPolarHBondContact O-CB 3.34Å; E446-R450 VanDerWaalsContact O-CG 3.27Å; E446-R450 WeakPolarHBondContact O-CG 2.99Å; E446-R450 PolarHBondContact O-N 3.18Å; E446-R450 IonicContact OE2-NH1 3.98Å; E446-R450 PolarHBondContact OE2-NH1 3.17Å
447E88.2Confident80.7Confident109 Ų109100.4 Ų100.451%0.50950%0.497SS..Hα-helixtrans-70.8-44.7175.3-169.8152.3141.300112.5A443 D444 L445 N449 R450 N451A443-E447 PolarHBondContact O-N 3.01Å; D444-E447 PolarHBondContact O-N 3.36Å; D444-E447 VanDerWaalsContact O-N 3.14Å; L445-E447 VanDerWaalsContact C-N 3.3Å; E447-N449 VanDerWaalsContact C-N 3.27Å; E447-N449 PolarHBondContact O-N 2.74Å; E447-R450 WeakPolarHBondContact O-CB 3.3Å; E447-R450 PolarHBondContact O-N 2.91Å; E447-R450 IonicContact OE2-NH2 3.22Å; E447-N451 WeakPolarHBondContact O-CB 3.16Å; E447-N451 VanDerWaalsContact O-CG 3.29Å; E447-N451 PolarHBondContact O-N 3.42Å; E447-N451 PolarHBondContact O-ND2 3.34Å; E447-N451 VanDerWaalsContact O-ND2 3.17Å
448E79.9Confident81Confident118 Ų118103 Ų10355%0.55150%0.503SS*.Hα-helixtrans-59.3-41.1173.9-170170.5-138.500111D444 N451 L452D444-E448 PolarHBondContact O-N 3.24Å; E448-N451 PolarHBondContact O-N 3.16Å; E448-L452 HydrophobicContact CG-CD1 4.14Å; E448-L452 WeakPolarHBondContact O-CB 3.49Å; E448-L452 VanDerWaalsContact O-CG 3.31Å; E448-L452 WeakPolarHBondContact O-CG 3.47Å; E448-L452 PolarHBondContact O-N 2.69Å
449N77.9Confident81Confident108 Ų108101.8 Ų101.858%0.57850%0.496SS*.Hα-helixtrans-67.6-38.8176.3-159.40.2000112.4L445 E447 N451 Q453L445-N449 WeakPolarHBondContact O-CB 3.48Å; L445-N449 PolarHBondContact O-N 3.06Å; E447-N449 VanDerWaalsContact C-N 3.27Å; E447-N449 PolarHBondContact O-N 2.74Å; N449-N451 VanDerWaalsContact C-N 3.34Å; N449-N451 PolarHBondContact O-N 3.39Å; N449-Q453 WeakPolarHBondContact O-CB 3.36Å; N449-Q453 PolarHBondContact O-N 2.96Å
450R89.5Confident80.6Confident124 Ų124101.3 Ų101.347%0.46849%0.493SS..Hα-helixtrans-59.7-42.8170-76.9-178.3-64.3-97.65.8111.6E446 E447 Q453 A454E446-R450 WeakPolarHBondContact O-CB 3.34Å; E446-R450 VanDerWaalsContact O-CG 3.27Å; E446-R450 WeakPolarHBondContact O-CG 2.99Å; E446-R450 PolarHBondContact O-N 3.18Å; E446-R450 IonicContact OE2-NH1 3.98Å; E446-R450 PolarHBondContact OE2-NH1 3.17Å; E447-R450 WeakPolarHBondContact O-CB 3.3Å; E447-R450 PolarHBondContact O-N 2.91Å; E447-R450 IonicContact OE2-NH2 3.22Å; R450-Q453 PolarHBondContact O-N 2.98Å; R450-A454 PolarHBondContact O-N 2.83Å
451N83.9Confident80Confident98 Ų98101.1 Ų101.152%0.52450%0.497SS..Hα-helixtrans-68.8-44.1179.9-71.2-33.5000112E447 E448 N449 Q453 A454 E455E447-N451 WeakPolarHBondContact O-CB 3.16Å; E447-N451 VanDerWaalsContact O-CG 3.29Å; E447-N451 PolarHBondContact O-N 3.42Å; E447-N451 PolarHBondContact O-ND2 3.34Å; E447-N451 VanDerWaalsContact O-ND2 3.17Å; E448-N451 PolarHBondContact O-N 3.16Å; N449-N451 VanDerWaalsContact C-N 3.34Å; N449-N451 PolarHBondContact O-N 3.39Å; N451-Q453 VanDerWaalsContact C-N 3.35Å; N451-Q453 PolarHBondContact O-N 2.36Å; N451-A454 PolarHBondContact O-N 2.72Å; N451-E455 PolarHBondContact O-N 3.37Å
452L79Confident79.3Confident101 Ų101101.7 Ų101.753%0.52950%0.498SS..Hα-helixtrans-62.8-38.9174.7-73.6169000112.1E448 E455 Y456E448-L452 HydrophobicContact CG-CD1 4.14Å; E448-L452 WeakPolarHBondContact O-CB 3.49Å; E448-L452 VanDerWaalsContact O-CG 3.31Å; E448-L452 WeakPolarHBondContact O-CG 3.47Å; E448-L452 PolarHBondContact O-N 2.69Å; L452-E455 PolarHBondContact O-N 2.74Å; L452-Y456 WeakPolarHBondContact O-CB 3.43Å; L452-Y456 PolarHBondContact O-N 3.37Å
453Q79.7Confident78.5Confident95 Ų95101.9 Ų101.944%0.44450%0.496SS..Hα-helixtrans-65.2-41.6174.4-174.66055.100111.6N449 R450 N451 Y456 D457N449-Q453 WeakPolarHBondContact O-CB 3.36Å; N449-Q453 PolarHBondContact O-N 2.96Å; R450-Q453 PolarHBondContact O-N 2.98Å; N451-Q453 VanDerWaalsContact C-N 3.35Å; N451-Q453 PolarHBondContact O-N 2.36Å; Q453-Y456 WeakPolarHBondContact O-CB 3.43Å; Q453-Y456 PolarHBondContact O-N 2.7Å; Q453-D457 PolarHBondContact NE2-OD2 3.35Å; Q453-D457 PolarHBondContact O-N 3.06Å
454A84.8Confident77Confident61 Ų61104.9 Ų104.950%0.50450%0.502SS..Hα-helixtrans-65.8-36.8175.300000112.7R450 N451 R458R450-A454 PolarHBondContact O-N 2.83Å; N451-A454 PolarHBondContact O-N 2.72Å; A454-R458 VanDerWaalsContact O-CB 3.31Å; A454-R458 WeakPolarHBondContact O-CB 3.28Å; A454-R458 PolarHBondContact O-N 3.32Å
455E77.9Confident75.6Confident98 Ų98108 Ų10846%0.45851%0.513SS..Hα-helixtrans-69.6-40172.6-177.6157.7-135.500112.1N451 L452 R458 L459N451-E455 PolarHBondContact O-N 3.37Å; L452-E455 PolarHBondContact O-N 2.74Å; E455-R458 PolarHBondContact O-N 2.97Å; E455-L459 HydrophobicContact CG-CD1 3.92Å; E455-L459 HydrophobicContact CG-CG 4.28Å; E455-L459 WeakPolarHBondContact O-CB 3.2Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.29Å; E455-L459 PolarHBondContact O-N 2.85Å
456Y73Confident74.7Confident145 Ų145111 Ų11157%0.56952%0.521SS*.Hα-helixtrans-57.7-49.3173175.4-91.4000111.7L452 Q453 R458 L459 K460L452-Y456 WeakPolarHBondContact O-CB 3.43Å; L452-Y456 PolarHBondContact O-N 3.37Å; Q453-Y456 WeakPolarHBondContact O-CB 3.43Å; Q453-Y456 PolarHBondContact O-N 2.7Å; Y456-R458 VanDerWaalsContact C-N 3.34Å; Y456-R458 PolarHBondContact O-N 2.91Å; Y456-L459 PolarHBondContact O-N 2.75Å; Y456-K460 HydrophobicContact CE1-CD 4.29Å; Y456-K460 VanDerWaalsContact O-CB 3.28Å; Y456-K460 WeakPolarHBondContact O-CB 3.33Å; Y456-K460 PolarHBondContact O-N 3.48Å
457D77.8Confident73Confident57 Ų57109 Ų10931%0.30553%0.528SS..Hα-helixtrans-68.5-32.4179.2-77.4-51.3000112.4Q453 Q461Q453-D457 PolarHBondContact NE2-OD2 3.35Å; Q453-D457 PolarHBondContact O-N 3.06Å; D457-Q461 WeakPolarHBondContact O-CB 3.46Å; D457-Q461 VanDerWaalsContact O-CG 3.28Å; D457-Q461 WeakPolarHBondContact O-CG 3.07Å; D457-Q461 PolarHBondContact O-N 3.47Å
458R84.2Confident71.2Confident150 Ų150109.3 Ų109.357%0.56653%0.533SS*.Hα-helixtrans-63.8-44.8169.4173.4-176.7167.7-156.8-4.2112.2A454 E455 Y456 Q461 Q462A454-R458 VanDerWaalsContact O-CB 3.31Å; A454-R458 WeakPolarHBondContact O-CB 3.28Å; A454-R458 PolarHBondContact O-N 3.32Å; E455-R458 PolarHBondContact O-N 2.97Å; Y456-R458 VanDerWaalsContact C-N 3.34Å; Y456-R458 PolarHBondContact O-N 2.91Å; R458-Q461 PolarHBondContact O-N 3.33Å; R458-Q462 WeakPolarHBondContact O-CG 3.43Å; R458-Q462 PolarHBondContact O-N 2.71Å
459L68.9Low69.4Low94 Ų94108.7 Ų108.749%0.49254%0.542SS..Hα-helixtrans-66.9-39.1178-74.5169000111.4E455 Y456 Q462 H463E455-L459 HydrophobicContact CG-CD1 3.92Å; E455-L459 HydrophobicContact CG-CG 4.28Å; E455-L459 WeakPolarHBondContact O-CB 3.2Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.29Å; E455-L459 PolarHBondContact O-N 2.85Å; Y456-L459 PolarHBondContact O-N 2.75Å; L459-Q462 CarbonylContact O-C 3.57Å; L459-Q462 WeakPolarHBondContact O-CB 3.07Å; L459-Q462 PolarHBondContact O-N 2.71Å; L459-H463 PolarHBondContact O-N 2.87Å
460K72.1Confident67.9Low94 Ų94109.3 Ų109.341%0.40955%0.551SS.*Hα-helixtrans-61-48.1172.5-179.7-172.5175.3-163.20111.6Y456 Q462 H463 E464Y456-K460 HydrophobicContact CE1-CD 4.29Å; Y456-K460 VanDerWaalsContact O-CB 3.28Å; Y456-K460 WeakPolarHBondContact O-CB 3.33Å; Y456-K460 PolarHBondContact O-N 3.48Å; K460-Q462 VanDerWaalsContact C-N 3.32Å; K460-Q462 PolarHBondContact O-N 3.48Å; K460-H463 WeakPolarHBondContact O-CA 3.44Å; K460-H463 VanDerWaalsContact O-CB 3.27Å; K460-H463 WeakPolarHBondContact O-CB 3.4Å; K460-H463 PolarHBondContact O-N 3.14Å; K460-E464 WeakPolarHBondContact CE-OE1 3.25Å; K460-E464 PolarHBondContact O-N 2.92Å
461Q72.6Confident65.3Low128 Ų128111.5 Ų111.560%0.59857%0.572SS**Hα-helixtrans-60-40.2173.3-74.317422.300111.7D457 R458 H463 E464 H465D457-Q461 WeakPolarHBondContact O-CB 3.46Å; D457-Q461 VanDerWaalsContact O-CG 3.28Å; D457-Q461 WeakPolarHBondContact O-CG 3.07Å; D457-Q461 PolarHBondContact O-N 3.47Å; R458-Q461 PolarHBondContact O-N 3.33Å; Q461-H463 PolarHBondContact O-N 3.15Å; Q461-E464 PolarHBondContact O-N 3.48Å; Q461-H465 WeakPolarHBondContact O-CB 3.47Å; Q461-H465 PolarHBondContact O-N 3.29Å
462Q67.4Low63.2Low93 Ų93112 Ų11244%0.43558%0.58SS.*Hα-helixtrans-65.1-21.2172.4-74.2-172.2-3.100114R458 L459 K460 K466R458-Q462 WeakPolarHBondContact O-CG 3.43Å; R458-Q462 PolarHBondContact O-N 2.71Å; L459-Q462 CarbonylContact O-C 3.57Å; L459-Q462 WeakPolarHBondContact O-CB 3.07Å; L459-Q462 PolarHBondContact O-N 2.71Å; K460-Q462 VanDerWaalsContact C-N 3.32Å; K460-Q462 PolarHBondContact O-N 3.48Å; Q462-K466 WeakPolarHBondContact O-CD 3.45Å; Q462-K466 VanDerWaalsContact O-CG 3.31Å; Q462-K466 WeakPolarHBondContact O-CG 3.17Å
463H59.8Low61.2Low109 Ų109112.3 Ų112.351%0.50559%0.591SS.*Hα-helixtrans-82.9-43.7174.9-152.6-85.8000111.4L459 K460 Q461 K466L459-H463 PolarHBondContact O-N 2.87Å; K460-H463 WeakPolarHBondContact O-CA 3.44Å; K460-H463 VanDerWaalsContact O-CB 3.27Å; K460-H463 WeakPolarHBondContact O-CB 3.4Å; K460-H463 PolarHBondContact O-N 3.14Å; Q461-H463 PolarHBondContact O-N 3.15Å; H463-K466 PolarHBondContact O-N 2.92Å
464E53.7Low59.5Low111 Ų111113.7 Ų113.752%0.51961%0.608SS.*Hα-helixtrans-62.8-43.6173.8-69.2170-178.900111.1K460 Q461 K466 G467K460-E464 WeakPolarHBondContact CE-OE1 3.25Å; K460-E464 PolarHBondContact O-N 2.92Å; Q461-E464 PolarHBondContact O-N 3.48Å; E464-K466 PolarHBondContact O-N 3.46Å; E464-K466 VanDerWaalsContact O-N 3.13Å; E464-G467 PolarHBondContact O-N 3.47Å
465H55.4Low57.2Low176 Ų176116.8 Ų116.882%0.81562%0.623SS**THydrogen-bonded Turntrans-69.2-9.7179.9-149.3-40.5000113.9Q461 G467Q461-H465 WeakPolarHBondContact O-CB 3.47Å; Q461-H465 PolarHBondContact O-N 3.29Å; H465-G467 VanDerWaalsContact C-N 3.34Å
466K57.7Low55.2Low159 Ų159120.5 Ų120.569%0.69164%0.64SS**THydrogen-bonded Turntrans-872.5169.9-76.6170.9-177.4170.70113.7Q462 H463 E464Q462-K466 WeakPolarHBondContact O-CD 3.45Å; Q462-K466 VanDerWaalsContact O-CG 3.31Å; Q462-K466 WeakPolarHBondContact O-CG 3.17Å; H463-K466 PolarHBondContact O-N 2.92Å; E464-K466 PolarHBondContact O-N 3.46Å; E464-K466 VanDerWaalsContact O-N 3.13Å
467G50Low53.9Low61 Ų61121.1 Ų121.163%0.62965%0.65SS**THydrogen-bonded Turntrans81.319.2170.800000115.4E464 H465 S469E464-G467 PolarHBondContact O-N 3.47Å; H465-G467 VanDerWaalsContact C-N 3.34Å; G467-S469 PolarHBondContact O-N 3.25Å
468L50.5Low51.7Low115 Ų115126.4 Ų126.460%0.60268%0.675SS**  trans-88.896.5170.7-67.8175.8000109.5
469S42.5Very low50.2Low106 Ų106124.5 Ų124.574%0.74168%0.682SS**PPolyproline II helixtrans-58142.6-177.1-570000113.3G467 L471G467-S469 PolarHBondContact O-N 3.25Å; S469-L471 PolarHBondContact O-N 3.48Å
470P45.1Very low48.6Very low120 Ų120126.8 Ų126.878%0.77970%0.7SS**PPolyproline II helixtrans-68.5125.9171.229.3-33.6000110.1
471L36Very low47Very low170 Ų170127.6 Ų127.689%0.8972%0.718SS**PPolyproline II helixtrans-83.3127.5179-150.879.4000110.6S469S469-L471 PolarHBondContact O-N 3.48Å
472P39Very low45.7Very low109 Ų109127.3 Ų127.371%0.70873%0.727SS**  trans-80.1-177.6175.134.3-36.6000112.4
473S38Very low44.8Very low107 Ų107131 Ų13175%0.74875%0.745SS**SBendtrans-49.8148176.9-52.60000113.9
474P42.2Very low44.7Very low125 Ų125128.2 Ų128.281%0.81274%0.737SS**PPolyproline II helixtrans-78.4132.6-163.230.1-36.1000114.6
475P36.7Very low44.8Very low125 Ų125128.6 Ų128.681%0.81275%0.749SS**PPolyproline II helixtrans-86.6170.7157-3.723.9000111.9
476E37.6Very low44.6Very low177 Ų177129.1 Ų129.183%0.82774%0.744SS**PPolyproline II helixtrans-81.2157.9-171.8-63.6177.610200115.8
477M44.2Very low44.1Very low157 Ų157125.1 Ų125.177%0.77373%0.73SS**  trans-4.4121.2165-63.3179.8-80.200119.7
478M32.2Very low44.5Very low169 Ų169125.2 Ų125.283%0.83373%0.725SS**  -159.1155.6122.7-98.1-58.499.400110
479P52.9Low45.1Very low110 Ų110125.4 Ų125.471%0.71472%0.723SS**  trans-90.8140.2-165.634.7-34.5000114.2
480T34.9Very low45.9Very low141 Ų141124.8 Ų124.887%0.86571%0.711SS**  trans-131.7153.9164.949.20000110.5
481S39.6Very low47.1Very low111 Ų111123.8 Ų123.878%0.77670%0.698SS**PPolyproline II helixtrans-61.4151.8-170.6-101.20000114Q483S481-Q483 PolarHBondContact O-N 3.44Å
482P44.2Very low48.6Very low123 Ų123118.4 Ų118.480%0.79968%0.678SS**PPolyproline II helixtrans-65.6121.5-175.527.2-34.7000111.9
483Q49.2Very low50.1Low171 Ų171118.3 Ų118.380%0.79967%0.668SS**PPolyproline II helixtrans-68.9158.2152.4-65.5-176.7-14.500108.8S481S481-Q483 PolarHBondContact O-N 3.44Å
484S57.9Low51.1Low50 Ų50115.3 Ų115.335%0.3565%0.65SS.*  trans-42.3150.1-147.389.40000117.3R486 D487S484-R486 PolarHBondContact O-N 2.84Å; S484-R486 WeakPolarHBondContact OG-CB 3.48Å; S484-R486 PolarHBondContact OG-N 2.85Å; S484-D487 VanDerWaalsContact CB-OD2 3.3Å; S484-D487 WeakPolarHBondContact CB-OD2 3.35Å; S484-D487 PolarHBondContact N-OD2 3.45Å; S484-D487 PolarHBondContact O-N 3.3Å; S484-D487 PolarHBondContact OG-N 3.49Å; S484-D487 PolarHBondContact OG-OD2 2.85Å
485P55.1Low52.4Low119 Ų119116.2 Ų116.277%0.77364%0.641SS**Hα-helixtrans-57.8-22.9176.124-34.2000113.2A488 E489P485-A488 PolarHBondContact O-N 3.26Å; P485-E489 WeakPolarHBondContact O-CB 3.47Å; P485-E489 PolarHBondContact O-N 3.29Å; P485-E489 VanDerWaalsContact O-N 3.08Å
486R50.6Low54.3Low186 Ų186116 Ų11670%0.70263%0.632SS**Hα-helixtrans-69.5-32.7176.9-158.7173.2-167.7156.63.8112.6S484 E489 L490S484-R486 PolarHBondContact O-N 2.84Å; S484-R486 WeakPolarHBondContact OG-CB 3.48Å; S484-R486 PolarHBondContact OG-N 2.85Å; R486-E489 PolarHBondContact O-N 3.02Å; R486-L490 WeakPolarHBondContact O-CB 3.46Å; R486-L490 VanDerWaalsContact O-CG 3.26Å; R486-L490 WeakPolarHBondContact O-CG 3.28Å; R486-L490 PolarHBondContact O-N 3.17Å
487D48Very low55.6Low76 Ų76112.7 Ų112.741%0.40662%0.62SS.*Hα-helixtrans-72.7-37.6177.4-56.4-59.7000110.8S484 I491S484-D487 VanDerWaalsContact CB-OD2 3.3Å; S484-D487 WeakPolarHBondContact CB-OD2 3.35Å; S484-D487 PolarHBondContact N-OD2 3.45Å; S484-D487 PolarHBondContact O-N 3.3Å; S484-D487 PolarHBondContact OG-N 3.49Å; S484-D487 PolarHBondContact OG-OD2 2.85Å; D487-I491 WeakPolarHBondContact O-CB 3.37Å; D487-I491 WeakPolarHBondContact O-CD1 3.4Å; D487-I491 VanDerWaalsContact O-CG1 3.23Å; D487-I491 WeakPolarHBondContact O-CG1 3.37Å; D487-I491 PolarHBondContact O-N 3.08Å
488A57.4Low56.9Low63 Ų63114.8 Ų114.852%0.52162%0.619SS.*Hα-helixtrans-64.6-39.7172.400000112.3P485 I491 A492P485-A488 PolarHBondContact O-N 3.26Å; A488-I491 PolarHBondContact O-N 2.82Å; A488-A492 PolarHBondContact O-N 2.89Å
489E63.3Low59.1Low118 Ų118113 Ų11355%0.55161%0.608SS**Hα-helixtrans-64.9-47.5176-170.6168.2-139.500111.8P485 R486 I491 A492 E493P485-E489 WeakPolarHBondContact O-CB 3.47Å; P485-E489 PolarHBondContact O-N 3.29Å; P485-E489 VanDerWaalsContact O-N 3.08Å; R486-E489 PolarHBondContact O-N 3.02Å; E489-I491 VanDerWaalsContact C-N 3.33Å; E489-I491 PolarHBondContact O-N 3.46Å; E489-A492 WeakPolarHBondContact O-CB 3.16Å; E489-A492 PolarHBondContact O-N 2.85Å; E489-A492 VanDerWaalsContact O-N 3.08Å; E489-E493 PolarHBondContact O-N 2.87Å
490L60.6Low60Low93 Ų93112.6 Ų112.649%0.48760%0.597SS.*Hα-helixtrans-60.5-38174.6-72.9167.2000112.8R486 A492 A494R486-L490 WeakPolarHBondContact O-CB 3.46Å; R486-L490 VanDerWaalsContact O-CG 3.26Å; R486-L490 WeakPolarHBondContact O-CG 3.28Å; R486-L490 PolarHBondContact O-N 3.17Å; L490-A492 VanDerWaalsContact C-N 3.34Å; L490-A494 VanDerWaalsContact O-CB 3.25Å; L490-A494 WeakPolarHBondContact O-CB 3.28Å; L490-A494 PolarHBondContact O-N 3.09Å
491I69.2Low62.3Low99 Ų99111.8 Ų111.851%0.50858%0.581SS.*Hα-helixtrans-68.4-33.4175-70.9166.2000111.5D487 A488 E489 K495D487-I491 WeakPolarHBondContact O-CB 3.37Å; D487-I491 WeakPolarHBondContact O-CD1 3.4Å; D487-I491 VanDerWaalsContact O-CG1 3.23Å; D487-I491 WeakPolarHBondContact O-CG1 3.37Å; D487-I491 PolarHBondContact O-N 3.08Å; A488-I491 PolarHBondContact O-N 2.82Å; E489-I491 VanDerWaalsContact C-N 3.33Å; E489-I491 PolarHBondContact O-N 3.46Å; I491-K495 HydrophobicContact CG2-CD 4.44Å; I491-K495 VanDerWaalsContact O-CG 3.31Å; I491-K495 WeakPolarHBondContact O-CG 3.38Å; I491-K495 PolarHBondContact O-N 3.41Å
492A66.9Low64Low58 Ų58108.1 Ų108.148%0.47956%0.561SS.*Hα-helixtrans-70.1-45.7174.500000111.6A488 E489 L490 K495 L496A488-A492 PolarHBondContact O-N 2.89Å; E489-A492 WeakPolarHBondContact O-CB 3.16Å; E489-A492 PolarHBondContact O-N 2.85Å; E489-A492 VanDerWaalsContact O-N 3.08Å; L490-A492 VanDerWaalsContact C-N 3.34Å; A492-K495 PolarHBondContact O-N 3.09Å; A492-L496 PolarHBondContact O-N 2.97Å
493E70.6Confident65.7Low107 Ų107109.1 Ų109.150%0.555%0.549SS..Hα-helixtrans-60.1-47.6175.2-175.7175.2-152.800111.5E489 K495 L496 L497E489-E493 PolarHBondContact O-N 2.87Å; E493-K495 VanDerWaalsContact C-N 3.26Å; E493-K495 PolarHBondContact O-N 3.27Å; E493-L496 WeakPolarHBondContact O-CB 3.28Å; E493-L496 PolarHBondContact O-N 2.94Å; E493-L497 HydrophobicContact CG-CD1 3.98Å; E493-L497 HydrophobicContact CG-CG 4.36Å; E493-L497 WeakPolarHBondContact O-CB 3.18Å; E493-L497 WeakPolarHBondContact O-CG 3.35Å; E493-L497 PolarHBondContact O-N 3.07Å
494A59.6Low67Low43 Ų43105.2 Ų105.236%0.35553%0.533SS..Hα-helixtrans-61.1-31.7177.500000113.3L490 R498L490-A494 VanDerWaalsContact O-CB 3.25Å; L490-A494 WeakPolarHBondContact O-CB 3.28Å; L490-A494 PolarHBondContact O-N 3.09Å; A494-R498 VanDerWaalsContact O-CG 3.25Å; A494-R498 WeakPolarHBondContact O-CG 3.44Å; A494-R498 PolarHBondContact O-N 3.22Å
495K70.1Confident68.1Low145 Ų145107.4 Ų107.463%0.6354%0.538SS*.Hα-helixtrans-71.4-43.9171.7-76.5172-179.7177.40111.7I491 A492 E493 R498 Q499I491-K495 HydrophobicContact CG2-CD 4.44Å; I491-K495 VanDerWaalsContact O-CG 3.31Å; I491-K495 WeakPolarHBondContact O-CG 3.38Å; I491-K495 PolarHBondContact O-N 3.41Å; A492-K495 PolarHBondContact O-N 3.09Å; E493-K495 VanDerWaalsContact C-N 3.26Å; E493-K495 PolarHBondContact O-N 3.27Å; K495-R498 PolarHBondContact O-N 3Å; K495-Q499 PolarHBondContact O-N 3.19Å
496L75.4Confident69.3Low119 Ų119104.3 Ų104.362%0.62352%0.523SS*.Hα-helixtrans-62.5-43.3178.8-16176.2000111.5A492 E493 Q499 H500A492-L496 PolarHBondContact O-N 2.97Å; E493-L496 WeakPolarHBondContact O-CB 3.28Å; E493-L496 PolarHBondContact O-N 2.94Å; L496-Q499 PolarHBondContact O-N 2.92Å; L496-H500 WeakPolarHBondContact O-CB 3.29Å; L496-H500 PolarHBondContact O-N 3.25Å
497L66.1Low70.9Confident108 Ų108102.5 Ų102.557%0.56552%0.516SS*.Hα-helixtrans-62.4-42.5175.9-72171.3000112.2E493 H500 K501E493-L497 HydrophobicContact CG-CD1 3.98Å; E493-L497 HydrophobicContact CG-CG 4.36Å; E493-L497 WeakPolarHBondContact O-CB 3.18Å; E493-L497 WeakPolarHBondContact O-CG 3.35Å; E493-L497 PolarHBondContact O-N 3.07Å; L497-H500 PolarHBondContact O-N 3.22Å; L497-K501 WeakPolarHBondContact O-CB 3.45Å; L497-K501 PolarHBondContact O-N 3.41Å
498R71.8Confident72.4Confident202 Ų202104.1 Ų104.176%0.76252%0.522SS*.Hα-helixtrans-63-41174.1-73.4172.9-171.5-133.32.6112A494 K495 K501 G502A494-R498 VanDerWaalsContact O-CG 3.25Å; A494-R498 WeakPolarHBondContact O-CG 3.44Å; A494-R498 PolarHBondContact O-N 3.22Å; K495-R498 PolarHBondContact O-N 3Å; R498-K501 PolarHBondContact O-N 3.42Å; R498-G502 PolarHBondContact O-N 3.35Å
499Q76.4Confident73.6Confident130 Ų130105.1 Ų105.161%0.60752%0.516SS*.Hα-helixtrans-66.3-39.1175.5-166.8-175.427.800111.9K495 L496 R503K495-Q499 PolarHBondContact O-N 3.19Å; L496-Q499 PolarHBondContact O-N 2.92Å; Q499-R503 WeakPolarHBondContact O-CG 3.28Å; Q499-R503 PolarHBondContact O-N 2.73Å; Q499-R503 VanDerWaalsContact O-N 3.13Å
500H73.8Confident74.8Confident102 Ų102104.6 Ų104.647%0.47252%0.516SS..Hα-helixtrans-68.4-41.4177.1-161.9-100.1000111.8L496 L497 R503 L504L496-H500 WeakPolarHBondContact O-CB 3.29Å; L496-H500 PolarHBondContact O-N 3.25Å; L497-H500 PolarHBondContact O-N 3.22Å; H500-R503 PolarHBondContact O-N 3.26Å; H500-L504 WeakPolarHBondContact O-CG 3.24Å; H500-L504 PolarHBondContact O-N 3.07Å
501K81.2Confident75.9Confident124 Ų124106.1 Ų106.154%0.53952%0.524SS..Hα-helixtrans-56.2-53.7172.5174.6172.3170.61730111.3L497 R498 R503 L504 E505L497-K501 WeakPolarHBondContact O-CB 3.45Å; L497-K501 PolarHBondContact O-N 3.41Å; R498-K501 PolarHBondContact O-N 3.42Å; K501-R503 VanDerWaalsContact C-N 3.25Å; K501-R503 PolarHBondContact O-N 3.22Å; K501-L504 WeakPolarHBondContact O-CA 3.44Å; K501-L504 WeakPolarHBondContact O-CB 3.44Å; K501-L504 PolarHBondContact O-N 3.4Å; K501-E505 WeakPolarHBondContact CE-OE1 3.48Å; K501-E505 WeakPolarHBondContact CE-OE2 3.3Å; K501-E505 HydrophobicContact CG-CG 4.32Å; K501-E505 WeakPolarHBondContact CG-OE2 3.36Å; K501-E505 IonicContact NZ-OE1 3.07Å; K501-E505 PolarHBondContact NZ-OE1 3.49Å; K501-E505 WeakPolarHBondContact O-CG 3.18Å; K501-E505 PolarHBondContact O-N 3.11Å
502G76.9Confident76.8Confident34 Ų34105 Ų10535%0.35152%0.516SS..Hα-helixtrans-60.4-32.1178.700000113.9R498 A506R498-G502 PolarHBondContact O-N 3.35Å; G502-A506 WeakPolarHBondContact O-CB 3.3Å; G502-A506 PolarHBondContact O-N 3.37Å
503R79.9Confident77.8Confident144 Ų144105.8 Ų105.854%0.54351%0.513SS..Hα-helixtrans-71.4-29.2172.5-74.6178.766.5-164.7-0.5113.6Q499 H500 K501 R507Q499-R503 WeakPolarHBondContact O-CG 3.28Å; Q499-R503 PolarHBondContact O-N 2.73Å; Q499-R503 VanDerWaalsContact O-N 3.13Å; H500-R503 PolarHBondContact O-N 3.26Å; K501-R503 VanDerWaalsContact C-N 3.25Å; K501-R503 PolarHBondContact O-N 3.22Å; R503-R507 WeakPolarHBondContact O-CD 3.28Å; R503-R507 VanDerWaalsContact O-CG 3.3Å; R503-R507 WeakPolarHBondContact O-CG 3.17Å; R503-R507 PolarHBondContact O-N 3.09Å
504L75.5Confident78.6Confident90 Ų90106 Ų10647%0.47151%0.513SS..Hα-helixtrans-76.9-43.9173.6-72.7170.1000110.9H500 K501 A506 R507 M508H500-L504 WeakPolarHBondContact O-CG 3.24Å; H500-L504 PolarHBondContact O-N 3.07Å; K501-L504 WeakPolarHBondContact O-CA 3.44Å; K501-L504 WeakPolarHBondContact O-CB 3.44Å; K501-L504 PolarHBondContact O-N 3.4Å; L504-A506 PolarHBondContact O-N 3.41Å; L504-R507 CarbonylContact O-C 3.47Å; L504-R507 WeakPolarHBondContact O-CB 3.37Å; L504-R507 PolarHBondContact O-N 3.35Å; L504-R507 VanDerWaalsContact O-N 3.1Å; L504-M508 WeakPolarHBondContact O-CB 3.39Å; L504-M508 PolarHBondContact O-N 3.07Å
505E81.7Confident79.9Confident95 Ų95108 Ų10844%0.44452%0.518SS..Hα-helixtrans-59.3-45.5175.7-69.7170.8138.100111.3K501 R507 M508 Q509K501-E505 WeakPolarHBondContact CE-OE1 3.48Å; K501-E505 WeakPolarHBondContact CE-OE2 3.3Å; K501-E505 HydrophobicContact CG-CG 4.32Å; K501-E505 WeakPolarHBondContact CG-OE2 3.36Å; K501-E505 IonicContact NZ-OE1 3.07Å; K501-E505 PolarHBondContact NZ-OE1 3.49Å; K501-E505 WeakPolarHBondContact O-CG 3.18Å; K501-E505 PolarHBondContact O-N 3.11Å; E505-R507 VanDerWaalsContact C-N 3.3Å; E505-R507 PolarHBondContact O-N 3.4Å; E505-M508 WeakPolarHBondContact O-CB 3.34Å; E505-M508 PolarHBondContact O-N 3.32Å; E505-Q509 PolarHBondContact O-N 2.89Å
506A79.2Confident80.8Confident55 Ų55105.8 Ų105.846%0.45551%0.508SS..Hα-helixtrans-62-34.1174.300000113.4G502 L504 I510G502-A506 WeakPolarHBondContact O-CB 3.3Å; G502-A506 PolarHBondContact O-N 3.37Å; L504-A506 PolarHBondContact O-N 3.41Å; A506-I510 WeakPolarHBondContact O-CD1 3.44Å; A506-I510 VanDerWaalsContact O-CG1 3.29Å; A506-I510 WeakPolarHBondContact O-CG1 3.29Å; A506-I510 PolarHBondContact O-N 2.98Å
507R84.3Confident81.3Confident147 Ų147105.6 Ų105.656%0.55550%0.504SS*.Hα-helixtrans-73.2-37.1174.4-79.7172.9165.9-171.3-7.7112.2R503 L504 E505 I510 L511R503-R507 WeakPolarHBondContact O-CD 3.28Å; R503-R507 VanDerWaalsContact O-CG 3.3Å; R503-R507 WeakPolarHBondContact O-CG 3.17Å; R503-R507 PolarHBondContact O-N 3.09Å; L504-R507 CarbonylContact O-C 3.47Å; L504-R507 WeakPolarHBondContact O-CB 3.37Å; L504-R507 PolarHBondContact O-N 3.35Å; L504-R507 VanDerWaalsContact O-N 3.1Å; E505-R507 VanDerWaalsContact C-N 3.3Å; E505-R507 PolarHBondContact O-N 3.4Å; R507-I510 PolarHBondContact O-N 3.39Å; R507-L511 WeakPolarHBondContact O-CG 3.5Å; R507-L511 PolarHBondContact O-N 2.84Å
508M79.6Confident82.3Confident110 Ų110104.7 Ų104.754%0.54250%0.5SS..Hα-helixtrans-62.1-45.8175.6-165.8179.783.300110.3L504 E505 I510 L511 E512L504-M508 WeakPolarHBondContact O-CB 3.39Å; L504-M508 PolarHBondContact O-N 3.07Å; E505-M508 WeakPolarHBondContact O-CB 3.34Å; E505-M508 PolarHBondContact O-N 3.32Å; M508-I510 PolarHBondContact O-N 3.17Å; M508-L511 PolarHBondContact O-N 3.48Å; M508-L511 VanDerWaalsContact O-N 3.14Å; M508-E512 PolarHBondContact O-N 2.99Å
509Q83.6Confident83.1Confident85 Ų85100.1 Ų100.140%0.39749%0.487SS..Hα-helixtrans-59.5-45176.2-166.46370.400112.5E505 L511 E512 D513E505-Q509 PolarHBondContact O-N 2.89Å; Q509-L511 VanDerWaalsContact C-N 3.29Å; Q509-L511 PolarHBondContact O-N 3.18Å; Q509-E512 PolarHBondContact NE2-OE2 3.36Å; Q509-E512 PolarHBondContact O-N 2.85Å; Q509-D513 PolarHBondContact NE2-OD1 3.46Å; Q509-D513 VanDerWaalsContact NE2-OD1 3.14Å; Q509-D513 WeakPolarHBondContact O-CB 3.5Å; Q509-D513 PolarHBondContact O-N 2.69Å
510I88.4Confident83.5Confident107 Ų10796.3 Ų96.355%0.54948%0.475SS..Hα-helixtrans-61.3-38.4176.8-68.3164.9000111.4A506 R507 M508 H514A506-I510 WeakPolarHBondContact O-CD1 3.44Å; A506-I510 VanDerWaalsContact O-CG1 3.29Å; A506-I510 WeakPolarHBondContact O-CG1 3.29Å; A506-I510 PolarHBondContact O-N 2.98Å; R507-I510 PolarHBondContact O-N 3.39Å; M508-I510 PolarHBondContact O-N 3.17Å; I510-H514 WeakPolarHBondContact O-CB 3.35Å; I510-H514 PolarHBondContact O-N 2.81Å
511L83.8Confident83.9Confident124 Ų12496.5 Ų96.565%0.64948%0.476SS*.Hα-helixtrans-70.8-41.6177.1-73.6168000112.4R507 M508 Q509 D513 H514 N515R507-L511 WeakPolarHBondContact O-CG 3.5Å; R507-L511 PolarHBondContact O-N 2.84Å; M508-L511 PolarHBondContact O-N 3.48Å; M508-L511 VanDerWaalsContact O-N 3.14Å; Q509-L511 VanDerWaalsContact C-N 3.29Å; Q509-L511 PolarHBondContact O-N 3.18Å; L511-D513 VanDerWaalsContact C-N 3.33Å; L511-D513 PolarHBondContact O-N 3.45Å; L511-H514 PolarHBondContact O-N 2.84Å; L511-N515 WeakPolarHBondContact O-CB 3.18Å; L511-N515 PolarHBondContact O-N 2.83Å
512E88Confident84.1Confident76 Ų7695 Ų9536%0.35547%0.473SS..Hα-helixtrans-59.5-44.3172.5-75.8-177.6-159.300111.9M508 Q509 N515 K516M508-E512 PolarHBondContact O-N 2.99Å; Q509-E512 PolarHBondContact NE2-OE2 3.36Å; Q509-E512 PolarHBondContact O-N 2.85Å; E512-N515 WeakPolarHBondContact O-CB 3.45Å; E512-N515 PolarHBondContact O-N 3.25Å; E512-N515 VanDerWaalsContact O-N 3.1Å; E512-K516 VanDerWaalsContact O-CG 3.28Å; E512-K516 WeakPolarHBondContact O-CG 3.27Å; E512-K516 PolarHBondContact O-N 2.76Å; E512-K516 IonicContact OE2-NZ 2.7Å; E512-K516 PolarHBondContact OE2-NZ 2.82Å
513D87.3Confident84.5Confident75 Ų7598.5 Ų98.540%0.40148%0.48SS..Hα-helixtrans-72.3-34.9-176.5-64.2-15.9000111.1Q509 L511 N515 K516 Q517Q509-D513 PolarHBondContact NE2-OD1 3.46Å; Q509-D513 VanDerWaalsContact NE2-OD1 3.14Å; Q509-D513 WeakPolarHBondContact O-CB 3.5Å; Q509-D513 PolarHBondContact O-N 2.69Å; L511-D513 VanDerWaalsContact C-N 3.33Å; L511-D513 PolarHBondContact O-N 3.45Å; D513-N515 VanDerWaalsContact C-N 3.34Å; D513-K516 IonicContact OD1-NZ 3.86Å; D513-K516 PolarHBondContact OD1-NZ 2.84Å; D513-Q517 WeakPolarHBondContact O-CB 3.42Å; D513-Q517 PolarHBondContact O-N 3.1Å
514H87.5Confident84.7Confident111 Ų11199.3 Ų99.351%0.51448%0.483SS..Hα-helixtrans-59.8-41.8164.5-101.6-109.7000112.2I510 L511 Q517 L518I510-H514 WeakPolarHBondContact O-CB 3.35Å; I510-H514 PolarHBondContact O-N 2.81Å; L511-H514 PolarHBondContact O-N 2.84Å; H514-Q517 WeakPolarHBondContact O-CB 3.3Å; H514-Q517 PolarHBondContact O-N 3.1Å; H514-L518 WeakPolarHBondContact O-CG 3.27Å; H514-L518 PolarHBondContact O-N 2.96Å
515N86.6Confident84.8Confident85 Ų8599.7 Ų99.746%0.45549%0.485SS..Hα-helixtrans-66.9-46.8-179.7-165.242.6000111.4L511 E512 D513 Q517 L518 E519L511-N515 WeakPolarHBondContact O-CB 3.18Å; L511-N515 PolarHBondContact O-N 2.83Å; E512-N515 WeakPolarHBondContact O-CB 3.45Å; E512-N515 PolarHBondContact O-N 3.25Å; E512-N515 VanDerWaalsContact O-N 3.1Å; D513-N515 VanDerWaalsContact C-N 3.34Å; N515-Q517 PolarHBondContact O-N 3.24Å; N515-L518 WeakPolarHBondContact O-CB 3.41Å; N515-L518 PolarHBondContact O-N 3.4Å; N515-E519 PolarHBondContact ND2-OE1 3.03Å; N515-E519 WeakPolarHBondContact O-CG 3.28Å; N515-E519 PolarHBondContact O-N 3.46Å
516K89.3Confident84.8Confident98 Ų98102.4 Ų102.443%0.42649%0.491SS..Hα-helixtrans-55-36.2171.5-65.7161.1-157.3156.70111.6E512 D513 S520E512-K516 VanDerWaalsContact O-CG 3.28Å; E512-K516 WeakPolarHBondContact O-CG 3.27Å; E512-K516 PolarHBondContact O-N 2.76Å; E512-K516 IonicContact OE2-NZ 2.7Å; E512-K516 PolarHBondContact OE2-NZ 2.82Å; D513-K516 IonicContact OD1-NZ 3.86Å; D513-K516 PolarHBondContact OD1-NZ 2.84Å; K516-S520 WeakPolarHBondContact O-CB 3.46Å; K516-S520 PolarHBondContact O-N 3.16Å
517Q87.4Confident84.6Confident115 Ų115105 Ų10554%0.53749%0.494SS..Hα-helixtrans-71.9-38.7177.7-159172.542.700112.5D513 H514 N515 S520 Q521D513-Q517 WeakPolarHBondContact O-CB 3.42Å; D513-Q517 PolarHBondContact O-N 3.1Å; H514-Q517 WeakPolarHBondContact O-CB 3.3Å; H514-Q517 PolarHBondContact O-N 3.1Å; N515-Q517 PolarHBondContact O-N 3.24Å; Q517-S520 PolarHBondContact O-N 3.35Å; Q517-Q521 WeakPolarHBondContact O-CG 3.46Å; Q517-Q521 PolarHBondContact O-N 3.37Å
518L87.1Confident84.2Confident89 Ų89104 Ų10447%0.46650%0.499SS..Hα-helixtrans-67.1-41.4172.4-71.4168.2000112H514 N515 S520 Q521 L522H514-L518 WeakPolarHBondContact O-CG 3.27Å; H514-L518 PolarHBondContact O-N 2.96Å; N515-L518 WeakPolarHBondContact O-CB 3.41Å; N515-L518 PolarHBondContact O-N 3.4Å; L518-S520 VanDerWaalsContact C-N 3.33Å; L518-S520 PolarHBondContact O-N 3.4Å; L518-Q521 WeakPolarHBondContact O-CB 3.31Å; L518-Q521 PolarHBondContact O-N 3.42Å; L518-Q521 VanDerWaalsContact O-N 3.17Å; L518-L522 PolarHBondContact O-N 3.3Å
519E86.8Confident83.4Confident106 Ų106105.7 Ų105.750%0.49551%0.51SS..Hα-helixtrans-59.5-42.7172.4-72.2170.217600111.4N515 Q521 L522 H523N515-E519 PolarHBondContact ND2-OE1 3.03Å; N515-E519 WeakPolarHBondContact O-CG 3.28Å; N515-E519 PolarHBondContact O-N 3.46Å; E519-Q521 VanDerWaalsContact C-N 3.34Å; E519-Q521 PolarHBondContact O-N 3.13Å; E519-L522 PolarHBondContact O-N 3.26Å; E519-H523 WeakPolarHBondContact O-CB 3.45Å; E519-H523 PolarHBondContact O-N 3.07Å
520S85.4Confident82.6Confident50 Ų50108.3 Ų108.335%0.3552%0.522SS..Hα-helixtrans-63.3-37.8174.1-165.30000112.6K516 Q517 L518 R524K516-S520 WeakPolarHBondContact O-CB 3.46Å; K516-S520 PolarHBondContact O-N 3.16Å; Q517-S520 PolarHBondContact O-N 3.35Å; L518-S520 VanDerWaalsContact C-N 3.33Å; L518-S520 PolarHBondContact O-N 3.4Å; S520-R524 VanDerWaalsContact O-CG 3.31Å; S520-R524 WeakPolarHBondContact O-CG 3.48Å; S520-R524 PolarHBondContact O-N 2.91Å; S520-R524 VanDerWaalsContact O-N 3.09Å
521Q83.4Confident80.8Confident107 Ų107110.2 Ų110.250%0.553%0.528SS..Hα-helixtrans-67.2-44.2174.1-731783.400111.9Q517 L518 E519 H523 R524 L525Q517-Q521 WeakPolarHBondContact O-CG 3.46Å; Q517-Q521 PolarHBondContact O-N 3.37Å; L518-Q521 WeakPolarHBondContact O-CB 3.31Å; L518-Q521 PolarHBondContact O-N 3.42Å; L518-Q521 VanDerWaalsContact O-N 3.17Å; E519-Q521 VanDerWaalsContact C-N 3.34Å; E519-Q521 PolarHBondContact O-N 3.13Å; Q521-H523 VanDerWaalsContact C-N 3.34Å; Q521-H523 PolarHBondContact O-N 3.49Å; Q521-R524 PolarHBondContact O-N 3.43Å; Q521-L525 WeakPolarHBondContact O-CB 3.17Å; Q521-L525 WeakPolarHBondContact O-CG 3.37Å; Q521-L525 PolarHBondContact O-N 3.3Å
522L84.3Confident79.1Confident91 Ų91109.5 Ų109.548%0.47653%0.531SS..Hα-helixtrans-61.6-39.9174.8-77.2168.3000112.1L518 E519 L525 R526L518-L522 PolarHBondContact O-N 3.3Å; E519-L522 PolarHBondContact O-N 3.26Å; L522-L525 PolarHBondContact O-N 3.06Å; L522-R526 WeakPolarHBondContact O-CG 3.48Å; L522-R526 PolarHBondContact O-N 3.48Å
523H84.7Confident77.3Confident108 Ų108115.8 Ų115.850%0.556%0.561SS.*Hα-helixtrans-65-42.3176.4-169.384.7000112E519 Q521 R526 Q527E519-H523 WeakPolarHBondContact O-CB 3.45Å; E519-H523 PolarHBondContact O-N 3.07Å; Q521-H523 VanDerWaalsContact C-N 3.34Å; Q521-H523 PolarHBondContact O-N 3.49Å; H523-R526 PolarHBondContact O-N 3.39Å; H523-Q527 PolarHBondContact CD2-NE2 3.42Å; H523-Q527 PolarHBondContact NE2-NE2 3.18Å; H523-Q527 WeakPolarHBondContact O-CG 3.21Å; H523-Q527 PolarHBondContact O-N 3.05Å
524R84.3Confident74.9Confident162 Ų162116.2 Ų116.261%0.61158%0.575SS**Hα-helixtrans-64.7-40173.8-68.6174.1-159.3-145.13.6112.3S520 Q521 R526 Q527 L528S520-R524 VanDerWaalsContact O-CG 3.31Å; S520-R524 WeakPolarHBondContact O-CG 3.48Å; S520-R524 PolarHBondContact O-N 2.91Å; S520-R524 VanDerWaalsContact O-N 3.09Å; Q521-R524 PolarHBondContact O-N 3.43Å; R524-R526 VanDerWaalsContact C-N 3.34Å; R524-Q527 PolarHBondContact O-N 3.42Å; R524-L528 WeakPolarHBondContact O-CG 3.48Å; R524-L528 PolarHBondContact O-N 2.86Å
525L78.3Confident72.6Confident98 Ų98118.2 Ų118.251%0.51358%0.584SS.*Hα-helixtrans-62.9-40.2175.2-78164.7000111.6Q521 L522 L528 L529Q521-L525 WeakPolarHBondContact O-CB 3.17Å; Q521-L525 WeakPolarHBondContact O-CG 3.37Å; Q521-L525 PolarHBondContact O-N 3.3Å; L522-L525 PolarHBondContact O-N 3.06Å; L525-L528 PolarHBondContact O-N 2.86Å; L525-L529 WeakPolarHBondContact O-CD1 3.31Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.3Å; L525-L529 PolarHBondContact O-N 3.3Å
526R80.9Confident70.1Confident152 Ų152119.4 Ų119.457%0.57461%0.605SS**Hα-helixtrans-62.3-48.7172.6-72.9174.2-177161.91.7111.7L522 H523 R524 L528 L529 E530L522-R526 WeakPolarHBondContact O-CG 3.48Å; L522-R526 PolarHBondContact O-N 3.48Å; H523-R526 PolarHBondContact O-N 3.39Å; R524-R526 VanDerWaalsContact C-N 3.34Å; R526-L528 PolarHBondContact O-N 3.07Å; R526-L529 CarbonylContact O-C 3.5Å; R526-L529 PolarHBondContact O-N 3.29Å; R526-E530 WeakPolarHBondContact O-CB 3.36Å; R526-E530 WeakPolarHBondContact O-CG 3.42Å; R526-E530 PolarHBondContact O-N 3.09Å
527Q76.6Confident67.6Low110 Ų110122.4 Ų122.451%0.51462%0.619SS.*Hα-helixtrans-58.8-32.9175.6-71.8-175.1-2.600113.8H523 R524 Q531H523-Q527 PolarHBondContact CD2-NE2 3.42Å; H523-Q527 PolarHBondContact NE2-NE2 3.18Å; H523-Q527 WeakPolarHBondContact O-CG 3.21Å; H523-Q527 PolarHBondContact O-N 3.05Å; R524-Q527 PolarHBondContact O-N 3.42Å; Q527-Q531 PolarHBondContact O-N 3.32Å
528L74.1Confident65.1Low124 Ų124122.6 Ų122.665%0.64963%0.627SS**Hα-helixtrans-75.2-25.7175-71.8169.1000113.3R524 L525 R526R524-L528 WeakPolarHBondContact O-CG 3.48Å; R524-L528 PolarHBondContact O-N 2.86Å; L525-L528 PolarHBondContact O-N 2.86Å; R526-L528 PolarHBondContact O-N 3.07Å
529L64.4Low62.5Low147 Ų147126 Ų12677%0.7765%0.646SS**Hα-helixtrans-86.1-28.1175.1-70.8165.5000112.7L525 R526L525-L529 WeakPolarHBondContact O-CD1 3.31Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.3Å; L525-L529 PolarHBondContact O-N 3.3Å; R526-L529 CarbonylContact O-C 3.5Å; R526-L529 PolarHBondContact O-N 3.29Å
530E65.6Low59.7Low140 Ų140123.9 Ų123.965%0.65465%0.653SS**SBendtrans-86.2-4.9-179.8-70.9170.2168.400113.4R526 P532R526-E530 WeakPolarHBondContact O-CB 3.36Å; R526-E530 WeakPolarHBondContact O-CG 3.42Å; R526-E530 PolarHBondContact O-N 3.09Å; E530-P532 VanDerWaalsContact O-CD 3.23Å; E530-P532 WeakPolarHBondContact O-CD 3.42Å
531Q51Low57.1Low146 Ų146128 Ų12868%0.68268%0.676SS**  trans-71115.2179.7-174.6162.8104.100111.6Q527 Q533Q527-Q531 PolarHBondContact O-N 3.32Å; Q531-Q533 PolarHBondContact O-N 3.45Å
532P47.9Very low54.5Low109 Ų109128.7 Ų128.771%0.70869%0.688SS**  trans-72.4129.7-173.1-1933.3000113.2E530 A534E530-P532 VanDerWaalsContact O-CD 3.23Å; E530-P532 WeakPolarHBondContact O-CD 3.42Å; P532-A534 PolarHBondContact O-N 2.76Å; P532-A534 VanDerWaalsContact O-N 3.08Å
533Q50.3Low52.2Low209 Ų209130.8 Ų130.898%0.97770%0.704SS**  trans-78.884168.6-74.3-165.9-15.800111.5Q531Q531-Q533 PolarHBondContact O-N 3.45Å
534A37.3Very low49.5Very low84 Ų84131 Ų13169%0.69472%0.718SS**  trans-155.713317200000110.8P532P532-A534 PolarHBondContact O-N 2.76Å; P532-A534 VanDerWaalsContact O-N 3.08Å
535E38.8Very low46.9Very low153 Ų153128.8 Ų128.872%0.71573%0.727SS**  cis-137.2151.3-15.5-66.5-166.9150.600108.7K537E535-K537 IonicContact OE1-NZ 3.47Å; E535-K537 PolarHBondContact OE1-NZ 2.67Å; E535-K537 IonicContact OE2-NZ 2.74Å; E535-K537 PolarHBondContact OE2-NZ 2.67Å
536A33.7Very low45.3Very low109 Ų109129.4 Ų129.490%0.90174%0.737SS**  trans-141.595.6163.800000110
537K36.2Very low42.8Very low162 Ų162126.9 Ų126.970%0.70474%0.743SS**  trans-83.8155.7-164.9-136.5172.9-151.9117.70112.3E535E535-K537 IonicContact OE1-NZ 3.47Å; E535-K537 PolarHBondContact OE1-NZ 2.67Å; E535-K537 IonicContact OE2-NZ 2.74Å; E535-K537 PolarHBondContact OE2-NZ 2.67Å
538V35.8Very low40.5Very low118 Ų118128.1 Ų128.172%0.71576%0.758SS**  trans117.4123.2150.2178.70000118.5
539N31.5Very low38.2Very low160 Ų160126.6 Ų126.686%0.85676%0.757SS**  trans65.7130.9159.6-66.9-11.6000121.7
540G28.3Very low36.5Very low63 Ų63126.7 Ų126.765%0.64976%0.758SS**  153.411.3112.600000124.5
541T30.8Very low34.7Very low136 Ų136127 Ų12783%0.83476%0.759SS**  trans73.6157164.2-8.20000119.4
542T30.5Very low33.6Very low122 Ų122130.2 Ų130.275%0.74877%0.765SS**  trans62.5108.3160.345.70000121.7
543V34.4Very low32.6Very low134 Ų134129.3 Ų129.381%0.81276%0.761SS**  29.6118.9128.2-161.70000118.9
544S28.5Very low31.4Very low113 Ų113126.4 Ų126.479%0.7975%0.753SS**  159.7128.1123.7-71.90000113.9
545S30.8Very low30.9Very low115 Ų115127.8 Ų127.880%0.80476%0.757SS**  trans-77.1158.6142.6-58.30000108.1
546P43.3Very low30.4Very low112 Ų112126.4 Ų126.473%0.72777%0.765SS**  cis-151-179.233.244.3-23.7000118.3
547S28.1Very low30.2Very low99 Ų99130.2 Ų130.269%0.69276%0.764SS**  trans29.8149.9139.2-53.60000124.2
548T28.6Very low30.4Very low136 Ų136128.1 Ų128.183%0.83477%0.767SS**  trans79.1152.2161.777.80000117.3
549S27.2Very low30.1Very low91 Ų91130.9 Ų130.964%0.63677%0.774SS**  cis-168.2164.8-31.759.40000110.9
550L27.3Very low29.9Very low149 Ų149130.9 Ų130.978%0.7877%0.773SS**  trans73146.7152.4-76.9163.8000121.8
551Q28.4Very low29.7Very low147 Ų147133.6 Ų133.669%0.68777%0.772SS**  trans85.398.1147.8-83.1-175.862.900122.5
552R27.9Very low29.4Very low213 Ų213137.1 Ų137.180%0.80477%0.77SS**  112.9117.4100.8-121-178.8177166.3-4.6120.4
553S27.5Very low29.2Very low90 Ų90138 Ų13863%0.62978%0.775SS**  trans75.9131.2135.542.30000123.5
554D25.2Very low28.8Very low149 Ų149136.9 Ų136.980%0.79777%0.769SS**  trans73.592.1140-55-22.2000122.7
555S27.1Very low28.6Very low113 Ų113134.9 Ų134.979%0.7977%0.765SS**  56.697.6109.7-178.60000119.8
556S27.6Very low28.4Very low124 Ų124134 Ų13487%0.86776%0.76SS**  trans-146.3118.7145.3-64.10000112.3
557Q28.8Very low27.6Very low188 Ų188137.2 Ų137.288%0.87977%0.765SS**  trans-108.2168.9153.5-96.1-167.17.300107.5
558P40.5Very low27.5Very low119 Ų119138 Ų13877%0.77377%0.766SS**  cis-142.7-163.228.242.9-21.6000117
559M30.8Very low27.4Very low175 Ų175136.7 Ų136.786%0.86276%0.762SS**  trans-42.3152.9179.4-58.8178.3175.300119.3
560L25.7Very low27.3Very low160 Ų160140.9 Ų140.984%0.83877%0.771SS**  -164159.1129.3-79.3-164.1000108.7
561L24.5Very low27.3Very low121 Ų121138.8 Ų138.863%0.63477%0.769SS**  cis-171.9154.7-29.8-16578.5000110.1
562R25.3Very low27.2Very low209 Ų209140.2 Ų140.279%0.78978%0.778SS**  trans63.4124.6151.5-93.2178.4-169.7159.82.1123V564R562-V564 HydrophobicContact CB-CG2 3.94Å; R562-V564 HydrophobicContact CG-CG2 3.74Å
563V24.8Very low27.2Very low141 Ų141133.4 Ų133.486%0.85577%0.774SS**  -145.7136127.4-177.80000106.5
564V27Very low27.2Very low111 Ų111138 Ų13867%0.67379%0.785SS**  cis106.1901.4-170.30000117.1R562R562-V564 HydrophobicContact CB-CG2 3.94Å; R562-V564 HydrophobicContact CG-CG2 3.74Å
565G25.3Very low27.4Very low70 Ų70139.2 Ų139.272%0.72279%0.786SS**  trans92.8149.9152.600000117.9
566S26.1Very low27.5Very low98 Ų98141 Ų14169%0.68579%0.787SS**  cis-166.3141.4-5.9-100.50000113.9
567Q26.9Very low27.4Very low179 Ų179142.2 Ų142.284%0.83678%0.783SS**  trans65.3156.7146.8-58.4172.656.900117.5
568T24.6Very low27.3Very low116 Ų116140.6 Ų140.671%0.71278%0.779SS**  cis-137.2132.321.6490000111.6
569S26.8Very low26.7Very low107 Ų107140.3 Ų140.375%0.74878%0.781SS**  58.3142.7103.181.90000116.5
570E24.3Very low26.6Very low179 Ų179137.5 Ų137.584%0.83678%0.775SS**  cis-143.3142.621.3-72.6-174.5116.300111.8
571S27.4Very low26.9Very low106 Ų106136 Ų13674%0.74178%0.775SS**  75.4143.5106.8-145.80000116.6
572M28.2Very low27Very low177 Ų177139.2 Ų139.287%0.87279%0.787SS**  cis-157.7154.511.6-155.4166174.500113.8
573G26Very low27.2Very low69 Ų69136.6 Ų136.671%0.71179%0.788SS**  trans80.2146.5157.500000118.3
574E29.1Very low27.5Very low186 Ų186136.2 Ų136.287%0.86979%0.786SS**  cis-153.8171.9-10.2-126.3169-165.500110.6
575E29.1Very low27.9Very low176 Ų176136.6 Ų136.682%0.82279%0.794SS**  trans-31.8157-172.5-63.1175.3142.800119.5
576D27.8Very low28.8Very low151 Ų151138.4 Ų138.481%0.80779%0.792SS**  cis-155.817445.7-157.1-6.2000114.5
577L26.6Very low29.3Very low148 Ų148136.3 Ų136.378%0.77579%0.785SS**  trans-115.3157.8-170.4-66.7165.2000112.5
578L26.5Very low29.8Very low154 Ų154135 Ų13581%0.80678%0.783SS**  -179.4136.777.7-85.9166.4000114.3
579S27.7Very low30.5Very low114 Ų114137.4 Ų137.480%0.79779%0.786SS**  trans74158.6139-70.30000123.9
580P29.2Very low31.2Very low115 Ų115138.8 Ų138.875%0.74778%0.781SS**  trans-117.1173-152.343.1-32.2000116.8
581P30.8Very low32.2Very low128 Ų128134 Ų13483%0.83176%0.764SS**  trans-87.9169.3-175.735.7-37.8000115.9
582Q28.3Very low32.8Very low189 Ų189136 Ų13688%0.88376%0.763SS**  trans-108.9163171.3-71.1-173.4-44.800112.4
583D28.3Very low33.4Very low154 Ų154134.4 Ų134.482%0.82475%0.753SS**  trans-66.7153.2-175.7-51.1-87.4000115.3
584T30.7Very low34Very low133 Ų133137 Ų13782%0.81675%0.747SS**  trans-162.7103.41509.50000110.7
585S37.2Very low34.5Very low120 Ų120133.6 Ų133.684%0.83973%0.734SS**  trans-112.171.9179.362.30000111.7
586T42.9Very low34.7Very low108 Ų108132 Ų13266%0.66373%0.731SS**  trans-131.2-12-175.949.50000115.1L588T586-L588 PolarHBondContact O-N 3.41Å
587G37Very low35.1Very low53 Ų53131.2 Ų131.255%0.54673%0.727SS.*THydrogen-bonded Turntrans-81.56.3-167.400000118.1V591G587-V591 WeakPolarHBondContact O-CG2 3.21Å
588L38.2Very low35.4Very low151 Ų151128.1 Ų128.179%0.79172%0.718SS**THydrogen-bonded Turntrans-107.3-23.6-173.1-80168.5000115.3T586T586-L588 PolarHBondContact O-N 3.41Å
589E39.6Very low35.5Very low168 Ų168129.4 Ų129.479%0.78572%0.717SS**Hα-helixtrans-81.9-39.2178.2-79.3172.4117.800112.6V591 M592 E593E589-V591 VanDerWaalsContact C-N 3.26Å; E589-V591 PolarHBondContact O-N 3.34Å; E589-M592 VanDerWaalsContact O-CB 3.29Å; E589-M592 WeakPolarHBondContact O-CB 3.43Å; E589-M592 PolarHBondContact O-N 2.88Å; E589-E593 PolarHBondContact O-N 3.27Å
590E40.8Very low35.7Very low136 Ų136129.7 Ų129.764%0.63672%0.716SS**Hα-helixtrans-57.7-37174.5-83.2-169.1122.300112.9M592 E593 Q594E590-M592 VanDerWaalsContact C-N 3.27Å; E590-M592 PolarHBondContact O-N 2.76Å; E590-E593 PolarHBondContact O-N 2.81Å; E590-Q594 WeakPolarHBondContact O-CG 3.13Å; E590-Q594 PolarHBondContact O-N 3.12Å; E590-Q594 VanDerWaalsContact O-N 3.16Å
591V44.1Very low35.7Very low78 Ų78130.4 Ų130.447%0.47372%0.724SS.*Hα-helixtrans-67.1-31.5178.3179.30000111.3G587 E589 L595G587-V591 WeakPolarHBondContact O-CG2 3.21Å; E589-V591 VanDerWaalsContact C-N 3.26Å; E589-V591 PolarHBondContact O-N 3.34Å; V591-L595 HydrophobicContact CG1-CD1 4.43Å; V591-L595 PolarHBondContact O-N 3.18Å
592M40.7Very low35.6Very low148 Ų148130 Ų13073%0.72972%0.724SS**Hα-helixtrans-70.5-40.2-179.7-14973.9167.600111.6E589 E590E589-M592 VanDerWaalsContact O-CB 3.29Å; E589-M592 WeakPolarHBondContact O-CB 3.43Å; E589-M592 PolarHBondContact O-N 2.88Å; E590-M592 VanDerWaalsContact C-N 3.27Å; E590-M592 PolarHBondContact O-N 2.76Å
593E41.4Very low35.7Very low144 Ų144133.3 Ų133.367%0.67373%0.728SS**Hα-helixtrans-75.9-34.6177.1-74-159.8117.300113.6E589 E590 L595 N596 N597E589-E593 PolarHBondContact O-N 3.27Å; E590-E593 PolarHBondContact O-N 2.81Å; E593-L595 VanDerWaalsContact C-N 3.32Å; E593-L595 PolarHBondContact O-N 3.32Å; E593-N596 PolarHBondContact O-N 2.79Å; E593-N597 PolarHBondContact O-N 3.46Å; E593-N597 PolarHBondContact O-ND2 3.2Å
594Q38.8Very low36.1Very low124 Ų124128.8 Ų128.858%0.57972%0.719SS**Hα-helixtrans-65-35.7177.7-72.2179.222.700112.4E590 N596 S598E590-Q594 WeakPolarHBondContact O-CG 3.13Å; E590-Q594 PolarHBondContact O-N 3.12Å; E590-Q594 VanDerWaalsContact O-N 3.16Å; Q594-N596 VanDerWaalsContact C-N 3.34Å; Q594-N596 PolarHBondContact O-N 3.19Å; Q594-S598 PolarHBondContact O-OG 2.82Å
595L38.1Very low36.4Very low113 Ų113131.1 Ų131.159%0.59272%0.72SS**Hα-helixtrans-64.8-35174.6-82.2165.8000113.1V591 E593 N597V591-L595 HydrophobicContact CG1-CD1 4.43Å; V591-L595 PolarHBondContact O-N 3.18Å; E593-L595 VanDerWaalsContact C-N 3.32Å; E593-L595 PolarHBondContact O-N 3.32Å; L595-N597 VanDerWaalsContact C-N 3.33Å; L595-N597 PolarHBondContact O-N 2.86Å
596N35.2Very low36.5Very low143 Ų143131.2 Ų131.277%0.76571%0.711SS**Hα-helixtrans-73.6-24.9-176.8-157.227.1000113E593 Q594E593-N596 PolarHBondContact O-N 2.79Å; Q594-N596 VanDerWaalsContact C-N 3.34Å; Q594-N596 PolarHBondContact O-N 3.19Å
597N35.5Very low36.5Very low134 Ų134131.3 Ų131.372%0.71771%0.711SS**THydrogen-bonded Turntrans-93-0.1-178.6-71.6-72.5000114.5E593 L595 F599E593-N597 PolarHBondContact O-N 3.46Å; E593-N597 PolarHBondContact O-ND2 3.2Å; L595-N597 VanDerWaalsContact C-N 3.33Å; L595-N597 PolarHBondContact O-N 2.86Å; N597-F599 PolarHBondContact O-N 3.5Å
598S33.4Very low36.5Very low84 Ų84130.9 Ų130.959%0.58771%0.706SS**  trans-91.410.4-168.6-69.10000116Q594Q594-S598 PolarHBondContact O-OG 2.82Å
599F28.6Very low37Very low181 Ų181125.9 Ų125.979%0.79468%0.684SS**  trans-123.4107.3179.9-71.9-76.4000112.9N597 S601N597-F599 PolarHBondContact O-N 3.5Å; F599-S601 PolarHBondContact O-N 3.04Å
600P31.4Very low37.1Very low119 Ų119123.6 Ų123.677%0.77368%0.677SS**  trans-75.7119.5178.329.5-33.1000111.8S602P600-S602 PolarHBondContact O-N 3.21Å
601S28Very low37.1Very low131 Ų131123.7 Ų123.792%0.91668%0.676SS**  trans-80.8104.6166.9-72.10000110.8F599F599-S601 PolarHBondContact O-N 3.04Å
602S28.8Very low37.1Very low118 Ų118126.1 Ų126.183%0.82568%0.681SS**  trans-113.8129.6169.459.80000111.2P600P600-S602 PolarHBondContact O-N 3.21Å
603R31.6Very low37.4Very low259 Ų259124.4 Ų124.498%0.97767%0.673SS**  trans-119.9103.1-168.7-170.9-175.7-170.9-174.13.8110.1
604G35.5Very low37.7Very low60 Ų60120.1 Ų120.162%0.61966%0.662SS**  trans130.7150.1166.900000115.7
605H36.8Very low37.9Very low181 Ų181118.2 Ų118.284%0.83866%0.656SS**  trans68108.9175.8-46.2100.4000117.2
606N40Very low38.4Very low122 Ų122117.4 Ų117.465%0.65265%0.652SS**  176.346.4118.5-91.4-9.9000114.9G608 S609N606-G608 VanDerWaalsContact C-N 3.26Å; N606-G608 PolarHBondContact O-N 3.43Å; N606-S609 PolarHBondContact O-N 3.08Å
607V42.9Very low39Very low111 Ų111116.9 Ų116.967%0.67365%0.649SS**Hα-helixtrans-61.7-37.1167.7-177.80000111S609 L610 F611V607-S609 VanDerWaalsContact C-N 3.28Å; V607-S609 PolarHBondContact O-N 3.31Å; V607-L610 WeakPolarHBondContact O-CB 3.36Å; V607-L610 PolarHBondContact O-N 3.32Å; V607-L610 VanDerWaalsContact O-N 3.09Å; V607-F611 HydrophobicContact CG1-CD2 4.22Å; V607-F611 HydrophobicContact CG1-CE2 4.11Å; V607-F611 PolarHBondContact O-N 3.25Å
608G37.9Very low39.7Very low43 Ų43111.9 Ų111.944%0.44363%0.629SS.*Hα-helixtrans-62.8-28.2175.900000114.4N606 L610 F611 H612N606-G608 VanDerWaalsContact C-N 3.26Å; N606-G608 PolarHBondContact O-N 3.43Å; G608-L610 VanDerWaalsContact C-N 3.31Å; G608-L610 PolarHBondContact O-N 3.09Å; G608-F611 PolarHBondContact O-N 3.35Å; G608-H612 PolarHBondContact O-CD2 2.99Å; G608-H612 PolarHBondContact O-N 2.96Å
609S47.1Very low40.6Very low47 Ų47115.4 Ų115.433%0.32963%0.63SS.*Hα-helixtrans-68.5-31.8174.2-177.40000111.9N606 V607 M613N606-S609 PolarHBondContact O-N 3.08Å; V607-S609 VanDerWaalsContact C-N 3.28Å; V607-S609 PolarHBondContact O-N 3.31Å; S609-M613 WeakPolarHBondContact O-CB 3.36Å; S609-M613 WeakPolarHBondContact O-CE 3.42Å; S609-M613 WeakPolarHBondContact O-CG 3.36Å; S609-M613 PolarHBondContact O-N 3.07Å
610L41.6Very low41.7Very low120 Ų120109.7 Ų109.763%0.62862%0.616SS**Hα-helixtrans-68.6-39174.7-157.582.1000111.6V607 G608 A614V607-L610 WeakPolarHBondContact O-CB 3.36Å; V607-L610 PolarHBondContact O-N 3.32Å; V607-L610 VanDerWaalsContact O-N 3.09Å; G608-L610 VanDerWaalsContact C-N 3.31Å; G608-L610 PolarHBondContact O-N 3.09Å; L610-A614 WeakPolarHBondContact O-CB 3.37Å; L610-A614 PolarHBondContact O-N 3.35Å
611F42.5Very low42.6Very low138 Ų138110.2 Ų110.261%0.60561%0.609SS**Hα-helixtrans-69.4-43.4174.6-82.7-82.2000112.2V607 G608 M613 A614 D615V607-F611 HydrophobicContact CG1-CD2 4.22Å; V607-F611 HydrophobicContact CG1-CE2 4.11Å; V607-F611 PolarHBondContact O-N 3.25Å; G608-F611 PolarHBondContact O-N 3.35Å; F611-M613 PolarHBondContact O-N 3.48Å; F611-A614 WeakPolarHBondContact O-CB 3.48Å; F611-A614 PolarHBondContact O-N 3.45Å; F611-A614 VanDerWaalsContact O-N 3.08Å; F611-D615 PolarHBondContact O-N 3.4Å
612H43.4Very low43.5Very low129 Ų129110.8 Ų110.860%0.59760%0.598SS**Hα-helixtrans-59.6-45172.9-87.3-70.3000112.2G608 A614 D615 D616G608-H612 PolarHBondContact O-CD2 2.99Å; G608-H612 PolarHBondContact O-N 2.96Å; H612-A614 PolarHBondContact O-N 2.86Å; H612-D615 PolarHBondContact O-N 2.84Å; H612-D616 WeakPolarHBondContact O-CB 3.36Å; H612-D616 PolarHBondContact O-N 3.3Å
613M46.7Very low44.6Very low111 Ų111108.8 Ų108.855%0.54758%0.584SS.*Hα-helixtrans-65.2-26.3174.6-73.6-174.4-69.700113.4S609 F611 L617S609-M613 WeakPolarHBondContact O-CB 3.36Å; S609-M613 WeakPolarHBondContact O-CE 3.42Å; S609-M613 WeakPolarHBondContact O-CG 3.36Å; S609-M613 PolarHBondContact O-N 3.07Å; F611-M613 PolarHBondContact O-N 3.48Å; M613-L617 VanDerWaalsContact O-CB 3.27Å; M613-L617 WeakPolarHBondContact O-CB 3.25Å; M613-L617 PolarHBondContact O-N 2.93Å
614A47.5Very low45.3Very low55 Ų55101.4 Ų101.446%0.45556%0.563SS.*Hα-helixtrans-76.3-41.1174.100000112.1L610 F611 H612 L617 G618L610-A614 WeakPolarHBondContact O-CB 3.37Å; L610-A614 PolarHBondContact O-N 3.35Å; F611-A614 WeakPolarHBondContact O-CB 3.48Å; F611-A614 PolarHBondContact O-N 3.45Å; F611-A614 VanDerWaalsContact O-N 3.08Å; H612-A614 PolarHBondContact O-N 2.86Å; A614-L617 PolarHBondContact O-N 2.85Å; A614-G618 PolarHBondContact O-N 3.37Å
615D43.7Very low46.1Very low84 Ų84102.6 Ų102.645%0.44956%0.558SS.*Hα-helixtrans-64.2-42.3172.6-86.818.8000111.4F611 H612 L617 G618 R619F611-D615 PolarHBondContact O-N 3.4Å; H612-D615 PolarHBondContact O-N 2.84Å; D615-L617 VanDerWaalsContact C-N 3.34Å; D615-G618 PolarHBondContact O-N 2.86Å; D615-R619 VanDerWaalsContact O-CG 3.25Å; D615-R619 WeakPolarHBondContact O-CG 3.27Å; D615-R619 PolarHBondContact O-N 3.23Å
616D48.9Very low46.9Very low95 Ų9596.6 Ų96.651%0.50854%0.537SS..Hα-helixtrans-65.8-37.3175.8-69.6-27.1000111.3H612 A620H612-D616 WeakPolarHBondContact O-CB 3.36Å; H612-D616 PolarHBondContact O-N 3.3Å; D616-A620 VanDerWaalsContact O-CB 3.25Å; D616-A620 WeakPolarHBondContact O-CB 3.49Å; D616-A620 PolarHBondContact O-N 3.39Å
617L47.6Very low47.7Very low132 Ų13294.6 Ų94.669%0.69153%0.528SS*.Hα-helixtrans-66.7-38.8172-161.183.8000111.6M613 A614 D615 A620 M621M613-L617 VanDerWaalsContact O-CB 3.27Å; M613-L617 WeakPolarHBondContact O-CB 3.25Å; M613-L617 PolarHBondContact O-N 2.93Å; A614-L617 PolarHBondContact O-N 2.85Å; D615-L617 VanDerWaalsContact C-N 3.34Å; L617-A620 PolarHBondContact O-N 3.47Å; L617-M621 WeakPolarHBondContact O-CB 3.47Å; L617-M621 PolarHBondContact O-N 3.02Å
618G49.4Very low47.9Very low30 Ų3094.9 Ų94.931%0.30952%0.524SS..Hα-helixtrans-60.8-52.6174.400000111.6A614 D615 A620 M621 E622A614-G618 PolarHBondContact O-N 3.37Å; D615-G618 PolarHBondContact O-N 2.86Å; G618-A620 VanDerWaalsContact C-N 3.32Å; G618-A620 PolarHBondContact O-N 2.83Å; G618-M621 CarbonylContact O-C 3.57Å; G618-M621 WeakPolarHBondContact O-CA 3.42Å; G618-M621 WeakPolarHBondContact O-CB 3.37Å; G618-M621 PolarHBondContact O-N 2.97Å; G618-E622 PolarHBondContact O-N 2.91Å
619R52.8Low48.6Very low158 Ų15896.5 Ų96.560%0.59653%0.525SS*.Hα-helixtrans-61.1-38.1176.7-67.5164.6-165.9-125.43.2112.5D615 M621 S623D615-R619 VanDerWaalsContact O-CG 3.25Å; D615-R619 WeakPolarHBondContact O-CG 3.27Å; D615-R619 PolarHBondContact O-N 3.23Å; R619-M621 VanDerWaalsContact C-N 3.31Å; R619-S623 WeakPolarHBondContact O-CB 3.25Å; R619-S623 PolarHBondContact O-N 2.93Å
620A51.8Low48.6Very low60 Ų6099 Ų9950%0.49654%0.535SS..Hα-helixtrans-65.8-34.5173.800000112D616 L617 G618 L624D616-A620 VanDerWaalsContact O-CB 3.25Å; D616-A620 WeakPolarHBondContact O-CB 3.49Å; D616-A620 PolarHBondContact O-N 3.39Å; L617-A620 PolarHBondContact O-N 3.47Å; G618-A620 VanDerWaalsContact C-N 3.32Å; G618-A620 PolarHBondContact O-N 2.83Å; A620-L624 WeakPolarHBondContact O-CB 3.49Å; A620-L624 PolarHBondContact O-N 3.08Å; A620-L624 VanDerWaalsContact O-N 3.08Å
621M49Very low48.9Very low131 Ų131100.6 Ų100.665%0.64554%0.539SS*.Hα-helixtrans-76.2-39.8176.5-159.1173.577.700112.2L617 G618 R619 L624 V625L617-M621 WeakPolarHBondContact O-CB 3.47Å; L617-M621 PolarHBondContact O-N 3.02Å; G618-M621 CarbonylContact O-C 3.57Å; G618-M621 WeakPolarHBondContact O-CA 3.42Å; G618-M621 WeakPolarHBondContact O-CB 3.37Å; G618-M621 PolarHBondContact O-N 2.97Å; R619-M621 VanDerWaalsContact C-N 3.31Å; M621-L624 PolarHBondContact O-N 3.47Å; M621-V625 VanDerWaalsContact O-CG2 3.31Å; M621-V625 WeakPolarHBondContact O-CG2 3.31Å; M621-V625 PolarHBondContact O-N 3.14Å
622E48.7Very low49.1Very low143 Ų143102.3 Ų102.367%0.66855%0.549SS*.Hα-helixtrans-62.9-43.2172-72-179.3141.400111.7G618 L624 V625 S626G618-E622 PolarHBondContact O-N 2.91Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 3.07Å; E622-V625 PolarHBondContact O-N 2.87Å; E622-S626 PolarHBondContact O-N 3.24Å
623S51.6Low49.2Very low76 Ų7699.6 Ų99.653%0.53156%0.556SS.*Hα-helixtrans-62.9-39.1175.4-1760000112.3R619 V627R619-S623 WeakPolarHBondContact O-CB 3.25Å; R619-S623 PolarHBondContact O-N 2.93Å; S623-V627 WeakPolarHBondContact O-CG2 3.31Å; S623-V627 PolarHBondContact O-N 3.37Å; S623-V627 VanDerWaalsContact O-N 3.14Å
624L45Very low49.2Very low104 Ų10498.2 Ų98.255%0.54556%0.562SS.*Hα-helixtrans-67.4-40.1174-17564.3000112A620 M621 E622 M628A620-L624 WeakPolarHBondContact O-CB 3.49Å; A620-L624 PolarHBondContact O-N 3.08Å; A620-L624 VanDerWaalsContact O-N 3.08Å; M621-L624 PolarHBondContact O-N 3.47Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 3.07Å; L624-M628 HydrophobicContact CD1-SD 4.48Å; L624-M628 HydrophobicContact CG-SD 4.26Å; L624-M628 WeakPolarHBondContact O-CB 3.19Å; L624-M628 VanDerWaalsContact O-CG 3.31Å; L624-M628 WeakPolarHBondContact O-CG 3.38Å; L624-M628 PolarHBondContact O-N 2.9Å; L624-M628 VanDerWaalsContact O-N 3.07Å
625V52.6Low48.6Very low84 Ų84108.2 Ų108.251%0.50960%0.599SS.*Hα-helixtrans-64.4-44.3175.7168.40000111M621 E622 M628 T629M621-V625 VanDerWaalsContact O-CG2 3.31Å; M621-V625 WeakPolarHBondContact O-CG2 3.31Å; M621-V625 PolarHBondContact O-N 3.14Å; E622-V625 PolarHBondContact O-N 2.87Å; V625-M628 PolarHBondContact O-N 3.26Å; V625-T629 HydrophobicContact CG1-CG2 4.48Å; V625-T629 PolarHBondContact O-N 2.89Å; V625-T629 PolarHBondContact O-OG1 3Å; V625-T629 VanDerWaalsContact O-OG1 3.13Å
626S53.2Low48.9Very low56 Ų56109.4 Ų109.439%0.39261%0.607SS.*Hα-helixtrans-56.2-54.3175.9-167.30000111E622 M628 T629 D630E622-S626 PolarHBondContact O-N 3.24Å; S626-M628 PolarHBondContact O-N 2.81Å; S626-T629 WeakPolarHBondContact CA-OG1 3.48Å; S626-T629 CarbonylContact O-C 3.6Å; S626-T629 PolarHBondContact O-N 3.13Å; S626-T629 PolarHBondContact O-OG1 2.91Å; S626-D630 WeakPolarHBondContact O-CB 3.42Å; S626-D630 PolarHBondContact O-N 3.39Å; S626-D630 PolarHBondContact OG-OD2 3.21Å
627V58.3Low48.9Very low79 Ų79110.2 Ų110.248%0.47961%0.612SS.*Hα-helixtrans-57.4-37.4179.9171.10000111.8S623 E631S623-V627 WeakPolarHBondContact O-CG2 3.31Å; S623-V627 PolarHBondContact O-N 3.37Å; S623-V627 VanDerWaalsContact O-N 3.14Å; V627-E631 PolarHBondContact O-N 3.22Å
628M45.8Very low48.9Very low118 Ų118108.9 Ų108.958%0.58161%0.607SS**Hα-helixtrans-73.9-29.8176.5-70.9-177.766.400113.9L624 V625 S626L624-M628 HydrophobicContact CD1-SD 4.48Å; L624-M628 HydrophobicContact CG-SD 4.26Å; L624-M628 WeakPolarHBondContact O-CB 3.19Å; L624-M628 VanDerWaalsContact O-CG 3.31Å; L624-M628 WeakPolarHBondContact O-CG 3.38Å; L624-M628 PolarHBondContact O-N 2.9Å; L624-M628 VanDerWaalsContact O-N 3.07Å; V625-M628 PolarHBondContact O-N 3.26Å; S626-M628 PolarHBondContact O-N 2.81Å
629T53Low48.9Very low76 Ų76113.6 Ų113.647%0.46663%0.625SS.*Hα-helixtrans-80.7-27.717350.30000113.2V625 S626 E632 G633V625-T629 HydrophobicContact CG1-CG2 4.48Å; V625-T629 PolarHBondContact O-N 2.89Å; V625-T629 PolarHBondContact O-OG1 3Å; V625-T629 VanDerWaalsContact O-OG1 3.13Å; S626-T629 WeakPolarHBondContact CA-OG1 3.48Å; S626-T629 CarbonylContact O-C 3.6Å; S626-T629 PolarHBondContact O-N 3.13Å; S626-T629 PolarHBondContact O-OG1 2.91Å; T629-E632 PolarHBondContact O-N 3.47Å; T629-G633 PolarHBondContact O-N 3.37Å
630D47.9Very low48.7Very low101 Ų101110.8 Ų110.854%0.5463%0.627SS.*Hα-helixtrans-72.9-30.9177.5-67.1-42.7000111.2S626 G633S626-D630 WeakPolarHBondContact O-CB 3.42Å; S626-D630 PolarHBondContact O-N 3.39Å; S626-D630 PolarHBondContact OG-OD2 3.21Å; D630-G633 PolarHBondContact O-N 3.28Å
631E47.3Very low48.4Very low152 Ų152114.2 Ų114.271%0.7164%0.636SS**Hα-helixtrans-70.2-28.7170.5-74.9-172.2160.400113.3V627 G633V627-E631 PolarHBondContact O-N 3.22Å; E631-G633 PolarHBondContact O-N 3Å
632E46.3Very low48.4Very low175 Ų175113 Ų11382%0.81864%0.635SS**THydrogen-bonded Turntrans-77.6-4.1171.9-69.8-169.115300113.4T629T629-E632 PolarHBondContact O-N 3.47Å
633G46.9Very low48.4Very low71 Ų71110.7 Ų110.773%0.73263%0.632SS**THydrogen-bonded Turntrans-98.70.5177.900000115.4T629 D630 E631T629-G633 PolarHBondContact O-N 3.37Å; D630-G633 PolarHBondContact O-N 3.28Å; E631-G633 PolarHBondContact O-N 3Å
634A45.3Very low48.1Very low82 Ų82113.6 Ų113.668%0.67864%0.641SS**  trans-13919.2-161.400000117.1
635E35.7Very low48.4Very low265 Ų265114.5 Ų114.5100%1.23865%0.649SS**  trans-1480161.4-121.4174.9-152.200112.9

Retrieved 635 of 635 residues in 523.1 ms (Link to these results)

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