A0A061I1A0_CRIGR Loading...

Cleavage stimulation factor subunit 2

AlphaFold DB , UniProt , Accession A0A061I1A0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cstf2, Length 578 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
1M37.3Very low57.2Low245 Ų245116.6 Ų116.6100%1.20771%0.705SS**  0123.40-71.2169.8171.500106.9
2A39Very low59.2Low101 Ų101109.8 Ų109.884%0.83566%0.661SS**PPolyproline II helixtrans-73.2132.8179.500000109.6L4A2-L4 PolarHBondContact O-N 3.4Å
3G43.3Very low61Low76 Ų76111.5 Ų111.578%0.78465%0.649SS**PPolyproline II helixtrans-69.2120.5169.800000109.1
4L50.4Low62.6Low163 Ų163104.6 Ų104.685%0.85361%0.61SS**PPolyproline II helixtrans-60.9137.3168.4-64.4170.6000108.2A2 V6A2-L4 PolarHBondContact O-N 3.4Å; L4-V6 PolarHBondContact O-N 2.67Å
5P52.8Low64.2Low107 Ų107100.9 Ų100.970%0.69559%0.586SS**PPolyproline II helixtrans-60.8127.4174.426.2-33.1000108.5R7P5-R7 VanDerWaalsContact C-N 3.34Å; P5-R7 PolarHBondContact O-N 2.96Å
6V53.8Low65.8Low145 Ų14598.9 Ų98.988%0.87957%0.566SS**  trans-69.896.317568.40000107.6L4L4-V6 PolarHBondContact O-N 2.67Å
7R59.7Low67.3Low132 Ų13294 Ų9450%0.49854%0.539SS..  trans-67.8133.2178.1-66.5155.192.8-162.27.2107.5P5 D12P5-R7 VanDerWaalsContact C-N 3.34Å; P5-R7 PolarHBondContact O-N 2.96Å; R7-D12 IonicContact NH1-OD2 2.67Å
8D73.7Confident68.7Low104 Ų10488.8 Ų88.856%0.55651%0.509SS*.  trans-53127-179.9-64-90.4000110.7A10 V11 D12D8-A10 PolarHBondContact O-N 2.95Å; D8-A10 VanDerWaalsContact O-N 3.07Å; D8-V11 HydrophobicContact CB-CB 4.23Å; D8-V11 HydrophobicContact CB-CG2 3.91Å; D8-V11 PolarHBondContact O-N 2.92Å; D8-D12 PolarHBondContact O-N 3.32Å
9P71.2Confident70.1Confident107 Ų10786.5 Ų86.570%0.69549%0.493SS*.Hα-helixtrans-62.7-23.6-174.124-33.8000112.4R13P9-R13 WeakPolarHBondContact O-CB 3.34Å; P9-R13 PolarHBondContact O-N 3.23Å; P9-R13 VanDerWaalsContact O-N 3.1Å
10A72.4Confident71.2Confident58 Ų5882.2 Ų82.248%0.47947%0.468SS..Hα-helixtrans-68-46.9171.300000112.3D8 R13 S14D8-A10 PolarHBondContact O-N 2.95Å; D8-A10 VanDerWaalsContact O-N 3.07Å; A10-R13 PolarHBondContact O-N 2.94Å; A10-S14 PolarHBondContact O-N 3.36Å; A10-S14 PolarHBondContact O-OG 3.49Å; A10-S14 VanDerWaalsContact O-OG 3.06Å
11V75.9Confident72.2Confident45 Ų4578.4 Ų78.427%0.27345%0.447SS..Hα-helixtrans-67-45.4179.6178.70000110.5D8 R13 S14 L15 L101D8-V11 HydrophobicContact CB-CB 4.23Å; D8-V11 HydrophobicContact CB-CG2 3.91Å; D8-V11 PolarHBondContact O-N 2.92Å; V11-R13 VanDerWaalsContact C-N 3.3Å; V11-R13 PolarHBondContact O-N 2.69Å; V11-S14 WeakPolarHBondContact O-CB 3.18Å; V11-S14 PolarHBondContact O-N 3.48Å; V11-S14 VanDerWaalsContact O-N 3.11Å; V11-L15 HydrophobicContact CG1-CD1 4.14Å; V11-L15 HydrophobicContact CG1-CG 4.41Å; V11-L15 WeakPolarHBondContact O-CG 3.32Å; V11-L15 PolarHBondContact O-N 3.15Å; V11-L101 HydrophobicContact CG2-CD1 3.63Å; V11-L101 HydrophobicContact CG2-CD2 3.72Å; V11-L101 HydrophobicContact CG2-CG 4.27Å
12D80.2Confident74.8Confident34 Ų3471 Ų7118%0.18241%0.413CS..Hα-helixtrans-60-40.3177.1-179.1-93.3000111.8R7 D8 L15 R16R7-D12 IonicContact NH1-OD2 2.67Å; D8-D12 PolarHBondContact O-N 3.32Å; D12-L15 PolarHBondContact O-N 3.31Å; D12-R16 WeakPolarHBondContact O-CG 3.4Å; D12-R16 PolarHBondContact O-N 2.96Å; D12-R16 VanDerWaalsContact O-N 3.08Å; D12-R16 IonicContact OD1-CZ 2.95Å; D12-R16 IonicContact OD1-NE 2.92Å; D12-R16 PolarHBondContact OD1-NE 3.44Å; D12-R16 IonicContact OD1-NH2 3.63Å; D12-R16 PolarHBondContact OD1-NH2 3.47Å
13R83.1Confident77.3Confident133 Ų13366.3 Ų66.350%0.50237%0.373SS..Hα-helixtrans-63.6-40.9172.1-170177-174.3-146.3-10.2112.7P9 A10 V11 L15 R16 S17 E63P9-R13 WeakPolarHBondContact O-CB 3.34Å; P9-R13 PolarHBondContact O-N 3.23Å; P9-R13 VanDerWaalsContact O-N 3.1Å; A10-R13 PolarHBondContact O-N 2.94Å; V11-R13 VanDerWaalsContact C-N 3.3Å; V11-R13 PolarHBondContact O-N 2.69Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-R16 PolarHBondContact O-N 3.27Å; R13-S17 WeakPolarHBondContact O-CB 3.14Å; R13-S17 PolarHBondContact O-N 3.32Å; R13-S17 VanDerWaalsContact O-N 3.16Å; R13-S17 PolarHBondContact O-OG 3.44Å; R13-E63 IonicContact CZ-OE1 3.58Å; R13-E63 IonicContact CZ-OE2 3.06Å; R13-E63 IonicContact NE-OE1 2.66Å; R13-E63 PolarHBondContact NE-OE1 2.92Å; R13-E63 IonicContact NE-OE2 3.89Å; R13-E63 PolarHBondContact NE-OE2 2.85Å; R13-E63 IonicContact NH2-OE1 2.75Å; R13-E63 IonicContact NH2-OE2 2.83Å; R13-E63 PolarHBondContact NH2-OE2 2.69Å
14S83.8Confident79.5Confident15 Ų1562.8 Ų62.811%0.10534%0.337CS..Hα-helixtrans-63.8-37.7174.7-55.90000112.6A10 V11 R16 S17 N97A10-S14 PolarHBondContact O-N 3.36Å; A10-S14 PolarHBondContact O-OG 3.49Å; A10-S14 VanDerWaalsContact O-OG 3.06Å; V11-S14 WeakPolarHBondContact O-CB 3.18Å; V11-S14 PolarHBondContact O-N 3.48Å; V11-S14 VanDerWaalsContact O-N 3.11Å; S14-R16 VanDerWaalsContact C-N 3.31Å; S14-S17 PolarHBondContact O-N 3.32Å; S14-N97 PolarHBondContact OG-ND2 3.43Å; S14-N97 PolarHBondContact OG-OD1 3.44Å
15L86.6Confident81.2Confident48 Ų4862.2 Ų62.225%0.25133%0.325SS..Hα-helixtrans-70.4-25.8176.9-69173.4000113.3V11 D12 R13 S17 Q67V11-L15 HydrophobicContact CG1-CD1 4.14Å; V11-L15 HydrophobicContact CG1-CG 4.41Å; V11-L15 WeakPolarHBondContact O-CG 3.32Å; V11-L15 PolarHBondContact O-N 3.15Å; D12-L15 PolarHBondContact O-N 3.31Å; R13-L15 VanDerWaalsContact C-N 3.35Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-Q67 HydrophobicContact CB-CG 4.23Å
16R90.1Very high82.8Confident69 Ų6963.6 Ų63.626%0.2632%0.322SS..THydrogen-bonded Turntrans-88.3-1.1172.2-67.5-169.1-80.8161.20.4113.8D12 R13 S14 Y64 Q65 Q67D12-R16 WeakPolarHBondContact O-CG 3.4Å; D12-R16 PolarHBondContact O-N 2.96Å; D12-R16 VanDerWaalsContact O-N 3.08Å; D12-R16 IonicContact OD1-CZ 2.95Å; D12-R16 IonicContact OD1-NE 2.92Å; D12-R16 PolarHBondContact OD1-NE 3.44Å; D12-R16 IonicContact OD1-NH2 3.63Å; D12-R16 PolarHBondContact OD1-NH2 3.47Å; R13-R16 PolarHBondContact O-N 3.27Å; S14-R16 VanDerWaalsContact C-N 3.31Å; R16-Y64 PolarHBondContact O-N 2.95Å; R16-Q65 WeakPolarHBondContact CD-O 3.41Å; R16-Q65 PolarHBondContact NH1-O 3.31Å; R16-Q67 HydrophobicContact CG-CB 4.24Å
17S90.8Very high84.3Confident16 Ų1657.1 Ų57.111%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-103.1140.4-178-64.50000111.4R13 S14 L15 C62 A92R13-S17 WeakPolarHBondContact O-CB 3.14Å; R13-S17 PolarHBondContact O-N 3.32Å; R13-S17 VanDerWaalsContact O-N 3.16Å; R13-S17 PolarHBondContact O-OG 3.44Å; S14-S17 PolarHBondContact O-N 3.32Å; L15-S17 VanDerWaalsContact C-N 3.34Å; S17-C62 CarbonylContact C-O 3.5Å; S17-C62 WeakPolarHBondContact CA-O 3.43Å; S17-A92 VanDerWaalsContact CB-CB 3.46Å; S17-A92 WeakPolarHBondContact O-CB 3.34Å; S17-A92 PolarHBondContact O-N 3.07Å; S17-A92 VanDerWaalsContact O-N 3.1Å
18V93.3Very high85.7Confident0 Ų053.4 Ų53.40%028%0.276CS..EExtended strand (participates in β ladder)trans-125.8129.8-175-178.30000109F61 C62 Y64 A70 M74 V89 D90V18-F61 CarbonylContact O-C 3.57Å; V18-F61 WeakPolarHBondContact O-CA 3.4Å; V18-C62 PolarHBondContact N-O 3.12Å; V18-C62 PolarHBondContact O-N 2.77Å; V18-Y64 HydrophobicContact CB-CE2 4.42Å; V18-Y64 HydrophobicContact CG2-CD2 3.92Å; V18-Y64 HydrophobicContact CG2-CE2 3.88Å; V18-A70 HydrophobicContact CG2-CB 3.56Å; V18-M74 HydrophobicContact CG1-CG 3.84Å; V18-M74 HydrophobicContact CG2-CG 4.45Å; V18-V89 HydrophobicContact CG1-CG1 3.21Å; V18-D90 CarbonylContact C-O 3.59Å; V18-D90 WeakPolarHBondContact CG1-O 3.18Å
19F93.6Very high86.4Confident45 Ų4552 Ų5220%0.19727%0.265CS..EExtended strand (participates in β ladder)trans-79.3135.2171.3169.9-92000109.7Y59 F61 V89 D90F19-Y59 AromaticContact CE2-CD2 3.69Å; F19-Y59 HydrophobicContact CE2-CD2 3.69Å; F19-Y59 HydrophobicContact CE2-CG 4.01Å; F19-Y59 HydrophobicContact CZ-CD2 4.46Å; F19-Y59 HydrophobicContact CZ-CG 4.34Å; F19-F61 HydrophobicContact CB-CD1 4.48Å; F19-F61 HydrophobicContact CB-CE1 4.42Å; F19-F61 HydrophobicContact CD2-CD1 4.4Å; F19-F61 AromaticContact CD2-CE1 3.86Å; F19-F61 HydrophobicContact CD2-CE1 3.86Å; F19-F61 HydrophobicContact CD2-CZ 4.18Å; F19-V89 WeakPolarHBondContact O-CA 3.39Å; F19-D90 HydrophobicContact CB-CB 4.35Å; F19-D90 HydrophobicContact CD1-CB 3.94Å; F19-D90 PolarHBondContact N-O 2.91Å; F19-D90 PolarHBondContact O-N 2.95Å
20V93.2Very high87.3Confident0 Ų054.2 Ų54.20%027%0.267CS..EExtended strand (participates in β ladder)trans-123.2118.8177.7-169.30000108.4I23 F36 F45 Y59 G60 C62 R88V20-I23 HydrophobicContact CB-CD1 4.1Å; V20-I23 HydrophobicContact CG1-CD1 3.81Å; V20-I23 HydrophobicContact CG1-CG1 3.91Å; V20-F36 HydrophobicContact CB-CZ 4.15Å; V20-F36 HydrophobicContact CG1-CE1 4.46Å; V20-F36 HydrophobicContact CG1-CE2 4.08Å; V20-F36 HydrophobicContact CG1-CZ 3.61Å; V20-F36 HydrophobicContact CG2-CD1 4.31Å; V20-F36 HydrophobicContact CG2-CE1 3.35Å; V20-F36 HydrophobicContact CG2-CE2 4.32Å; V20-F36 HydrophobicContact CG2-CZ 3.37Å; V20-F45 HydrophobicContact CB-CZ 4.34Å; V20-F45 HydrophobicContact CG2-CE2 4.13Å; V20-F45 HydrophobicContact CG2-CZ 4.21Å; V20-Y59 CarbonylContact O-C 3.54Å; V20-Y59 WeakPolarHBondContact O-CA 3.21Å; V20-Y59 VanDerWaalsContact O-CB 3.28Å; V20-Y59 WeakPolarHBondContact O-CB 3.41Å; V20-G60 PolarHBondContact N-O 3.26Å; V20-G60 PolarHBondContact O-N 3.08Å; V20-C62 HydrophobicContact CG2-CB 4.16Å; V20-R88 CarbonylContact C-O 3.59Å; V20-R88 WeakPolarHBondContact CA-O 3.39Å
21G91.8Very high88.2Confident3 Ų355.4 Ų55.43%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-127.6175.2-17800000113I23 R88G21-I23 PolarHBondContact O-N 2.83Å; G21-R88 PolarHBondContact N-O 2.9Å; G21-R88 PolarHBondContact O-N 3.36Å
22N92.4Very high88.9Confident89 Ų8953.3 Ų53.348%0.47625%0.249SC..SBendtrans57.527-172.6-160.941.8000113.8G58 A86N22-G58 PolarHBondContact N-O 3.37Å; N22-G58 VanDerWaalsContact N-O 3.12Å; N22-A86 PolarHBondContact ND2-O 3.32Å
23I91.8Very high89.4Confident3 Ų356.4 Ų56.42%0.01526%0.261CS..  trans-68.1130.3178.2-56.5177.3000108.6V20 G21 A27 L32 L47 G58 L87V20-I23 HydrophobicContact CB-CD1 4.1Å; V20-I23 HydrophobicContact CG1-CD1 3.81Å; V20-I23 HydrophobicContact CG1-CG1 3.91Å; G21-I23 PolarHBondContact O-N 2.83Å; I23-A27 HydrophobicContact CG2-CB 3.43Å; I23-A27 VanDerWaalsContact CG2-CB 3.43Å; I23-L32 HydrophobicContact CD1-CD1 4.05Å; I23-L32 HydrophobicContact CG2-CD1 3.75Å; I23-L32 HydrophobicContact CG2-CD2 4.2Å; I23-L47 HydrophobicContact CD1-CD1 4.48Å; I23-L47 HydrophobicContact CG2-CD1 4.29Å; I23-G58 WeakPolarHBondContact CB-O 3.15Å; I23-G58 PolarHBondContact N-O 3.08Å; I23-G58 VanDerWaalsContact O-CA 3.3Å; I23-G58 WeakPolarHBondContact O-CA 3.47Å; I23-L87 HydrophobicContact CG1-CD2 4.32Å
24P88.5Confident89.8Confident3 Ų355.9 Ų55.92%0.01927%0.269CS..  trans-68.7147175.426.7-30.1000111.2E26 A27 F82P24-E26 HydrophobicContact CB-CG 4.03Å; P24-E26 HydrophobicContact CG-CG 4.47Å; P24-E26 PolarHBondContact O-N 3.17Å; P24-E26 VanDerWaalsContact O-N 3.13Å; P24-A27 HydrophobicContact CG-CB 4.17Å; P24-A27 WeakPolarHBondContact O-CB 3.27Å; P24-A27 PolarHBondContact O-N 2.98Å; P24-F82 HydrophobicContact CG-CD1 3.55Å; P24-F82 HydrophobicContact CG-CE1 3.83Å
25Y86.8Confident90.1Very high151 Ų15156.3 Ų56.359%0.59227%0.269SS*.THydrogen-bonded Turntrans-67.1-15.1-173.3-58.6-68.8000114.7P56Y25-P56 HydrophobicContact CD1-CG 4.2Å; Y25-P56 WeakPolarHBondContact CD1-O 3.21Å; Y25-P56 VanDerWaalsContact CE1-O 3.24Å; Y25-P56 WeakPolarHBondContact CE1-O 3.29Å; Y25-P56 WeakPolarHBondContact O-CG 3.36Å
26E85.6Confident90.3Very high136 Ų13654 Ų5464%0.63626%0.257SS*.THydrogen-bonded Turntrans-85.5-9.1173.157.3-174.47200113.5P24 T28 S83P24-E26 HydrophobicContact CB-CG 4.03Å; P24-E26 HydrophobicContact CG-CG 4.47Å; P24-E26 PolarHBondContact O-N 3.17Å; P24-E26 VanDerWaalsContact O-N 3.13Å; E26-T28 PolarHBondContact O-N 3.44Å; E26-S83 WeakPolarHBondContact OE2-CB 3.37Å; E26-S83 PolarHBondContact OE2-OG 2.91Å
27A85.8Confident90.4Very high8 Ų853.9 Ų53.97%0.06627%0.267CS..  trans-67.8128.4178.400000111I23 P24 L32 F82I23-A27 HydrophobicContact CG2-CB 3.43Å; I23-A27 VanDerWaalsContact CG2-CB 3.43Å; P24-A27 HydrophobicContact CG-CB 4.17Å; P24-A27 WeakPolarHBondContact O-CB 3.27Å; P24-A27 PolarHBondContact O-N 2.98Å; A27-L32 HydrophobicContact CB-CD1 4Å; A27-L32 HydrophobicContact CB-CG 4.3Å; A27-F82 HydrophobicContact CB-CD1 4.43Å; A27-F82 HydrophobicContact CB-CE1 3.63Å; A27-F82 HydrophobicContact CB-CZ 4.49Å
28T88.7Confident90.4Very high55 Ų5559.4 Ų59.434%0.33729%0.291SS..  trans-90.3153166.562.10000110.7E26 E30 Q31 L32E26-T28 PolarHBondContact O-N 3.44Å; T28-E30 PolarHBondContact O-N 3.45Å; T28-Q31 PolarHBondContact O-N 3.27Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.48Å; T28-Q31 PolarHBondContact OG1-N 3.35Å; T28-Q31 PolarHBondContact OG1-NE2 3.39Å; T28-L32 PolarHBondContact O-N 2.82Å
29E89Confident90.2Very high74 Ų7461.1 Ų61.135%0.34630%0.301SS..Hα-helixtrans-57.2-34174.6-178.4160.999.400112.1L32 K33 F45 R46 L47E29-L32 PolarHBondContact O-N 2.86Å; E29-K33 VanDerWaalsContact O-CB 3.27Å; E29-K33 WeakPolarHBondContact O-CB 3.48Å; E29-K33 PolarHBondContact O-N 3.32Å; E29-F45 HydrophobicContact CG-CB 4.06Å; E29-F45 HydrophobicContact CG-CD1 3.76Å; E29-F45 HydrophobicContact CG-CG 4.25Å; E29-R46 WeakPolarHBondContact OE2-CA 3.39Å; E29-L47 PolarHBondContact OE2-N 2.81Å
30E89.9Confident90Very high154 Ų15459.7 Ų59.772%0.7230%0.299SS*.Hα-helixtrans-63.7-45.4176.8-63.7167.1106.700112.6T28 K33 D34T28-E30 PolarHBondContact O-N 3.45Å; E30-K33 PolarHBondContact O-N 3.05Å; E30-D34 PolarHBondContact O-N 3.2Å
31Q90.7Very high90Very high83 Ų8363 Ų6339%0.38832%0.32SS..Hα-helixtrans-65.1-40.5177.4-73.1173.190.900111.7T28 K33 D34 I35 F82T28-Q31 PolarHBondContact O-N 3.27Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.48Å; T28-Q31 PolarHBondContact OG1-N 3.35Å; T28-Q31 PolarHBondContact OG1-NE2 3.39Å; Q31-K33 VanDerWaalsContact C-N 3.35Å; Q31-D34 PolarHBondContact O-N 2.91Å; Q31-I35 WeakPolarHBondContact O-CD1 3.26Å; Q31-I35 VanDerWaalsContact O-CG1 3.32Å; Q31-I35 WeakPolarHBondContact O-CG1 3.15Å; Q31-I35 PolarHBondContact O-N 2.82Å; Q31-I35 VanDerWaalsContact O-N 3.15Å; Q31-F82 HydrophobicContact CB-CE2 4.43Å; Q31-F82 HydrophobicContact CB-CZ 4.03Å
32L90.9Very high90Very high0 Ų063.6 Ų63.60%032%0.324CS..Hα-helixtrans-67.7-38.2176.6-67.1159.5000111.2I23 A27 T28 E29 I35 F36 F45 L47 L87I23-L32 HydrophobicContact CD1-CD1 4.05Å; I23-L32 HydrophobicContact CG2-CD1 3.75Å; I23-L32 HydrophobicContact CG2-CD2 4.2Å; A27-L32 HydrophobicContact CB-CD1 4Å; A27-L32 HydrophobicContact CB-CG 4.3Å; T28-L32 PolarHBondContact O-N 2.82Å; E29-L32 PolarHBondContact O-N 2.86Å; L32-I35 PolarHBondContact O-N 2.95Å; L32-F36 WeakPolarHBondContact O-CB 3.46Å; L32-F36 WeakPolarHBondContact O-CD2 3.48Å; L32-F36 PolarHBondContact O-N 3.13Å; L32-F45 HydrophobicContact CB-CD2 4.42Å; L32-F45 HydrophobicContact CB-CE1 4.06Å; L32-F45 HydrophobicContact CB-CE2 3.8Å; L32-F45 HydrophobicContact CB-CZ 3.61Å; L32-F45 HydrophobicContact CD1-CE1 3.91Å; L32-F45 HydrophobicContact CD1-CZ 3.87Å; L32-F45 HydrophobicContact CG-CZ 4.23Å; L32-L47 HydrophobicContact CD1-CD1 3.59Å; L32-L87 HydrophobicContact CD2-CD1 4.42Å; L32-L87 HydrophobicContact CD2-CD2 4.38Å
33K91.5Very high90Very high99 Ų9963 Ų6343%0.4332%0.323SS..Hα-helixtrans-63.8-39.9174.7-172.6179-179.4-177.80112E29 E30 Q31 F36 S37 V42E29-K33 VanDerWaalsContact O-CB 3.27Å; E29-K33 WeakPolarHBondContact O-CB 3.48Å; E29-K33 PolarHBondContact O-N 3.32Å; E30-K33 PolarHBondContact O-N 3.05Å; Q31-K33 VanDerWaalsContact C-N 3.35Å; K33-F36 PolarHBondContact O-N 2.74Å; K33-S37 WeakPolarHBondContact O-CB 3.45Å; K33-S37 PolarHBondContact O-N 3.48Å; K33-V42 HydrophobicContact CG-CB 4.3Å; K33-V42 HydrophobicContact CG-CG1 4.23Å
34D90.9Very high89.7Confident123 Ų12365.4 Ų65.466%0.65834%0.34SS*.Hα-helixtrans-60.4-51.8175.5-171.8-105.2000111.5E30 Q31 F36 S37 E38E30-D34 PolarHBondContact O-N 3.2Å; Q31-D34 PolarHBondContact O-N 2.91Å; D34-F36 VanDerWaalsContact C-N 3.31Å; D34-F36 PolarHBondContact O-N 3.15Å; D34-S37 WeakPolarHBondContact O-CB 3.4Å; D34-S37 PolarHBondContact O-N 2.81Å; D34-S37 VanDerWaalsContact O-N 3.08Å; D34-E38 PolarHBondContact O-N 3.24Å
35I90.8Very high89.9Confident23 Ų2365.8 Ų65.812%0.11834%0.341CS..Hα-helixtrans-58.7-41.4177.3-65.4161.3000112.1Q31 L32 E38 L77 F82Q31-I35 WeakPolarHBondContact O-CD1 3.26Å; Q31-I35 VanDerWaalsContact O-CG1 3.32Å; Q31-I35 WeakPolarHBondContact O-CG1 3.15Å; Q31-I35 PolarHBondContact O-N 2.82Å; Q31-I35 VanDerWaalsContact O-N 3.15Å; L32-I35 PolarHBondContact O-N 2.95Å; I35-E38 WeakPolarHBondContact O-CB 3.19Å; I35-E38 PolarHBondContact O-N 2.96Å; I35-L77 HydrophobicContact CG2-CD2 4.34Å; I35-F82 HydrophobicContact CD1-CD2 3.3Å; I35-F82 HydrophobicContact CD1-CE2 3.52Å; I35-F82 HydrophobicContact CD1-CG 4.02Å; I35-F82 HydrophobicContact CD1-CZ 4.39Å
36F90.8Very high90.1Very high0 Ų067.3 Ų67.30%035%0.346CS..Hα-helixtrans-76-27.2179.8-81.3-118.1000111.6V20 L32 K33 D34 E38 V39 V42 F45 C62 Y64 L77 L87 V89V20-F36 HydrophobicContact CB-CZ 4.15Å; V20-F36 HydrophobicContact CG1-CE1 4.46Å; V20-F36 HydrophobicContact CG1-CE2 4.08Å; V20-F36 HydrophobicContact CG1-CZ 3.61Å; V20-F36 HydrophobicContact CG2-CD1 4.31Å; V20-F36 HydrophobicContact CG2-CE1 3.35Å; V20-F36 HydrophobicContact CG2-CE2 4.32Å; V20-F36 HydrophobicContact CG2-CZ 3.37Å; L32-F36 WeakPolarHBondContact O-CB 3.46Å; L32-F36 WeakPolarHBondContact O-CD2 3.48Å; L32-F36 PolarHBondContact O-N 3.13Å; K33-F36 PolarHBondContact O-N 2.74Å; D34-F36 VanDerWaalsContact C-N 3.31Å; D34-F36 PolarHBondContact O-N 3.15Å; F36-E38 PolarHBondContact O-N 2.83Å; F36-V39 PolarHBondContact O-N 3.25Å; F36-V42 HydrophobicContact CB-CG2 3.81Å; F36-F45 HydrophobicContact CD1-CE2 4.45Å; F36-F45 HydrophobicContact CD2-CE2 4.4Å; F36-F45 HydrophobicContact CG-CE2 4.33Å; F36-C62 HydrophobicContact CD1-CB 3.81Å; F36-C62 VanDerWaalsContact CD1-SG 3.58Å; F36-C62 HydrophobicContact CE1-CB 4.18Å; F36-Y64 WeakPolarHBondContact CB-OH 3.07Å; F36-Y64 HydrophobicContact CD1-CE2 4.27Å; F36-Y64 WeakPolarHBondContact CD1-OH 3.36Å; F36-Y64 PolarHBondContact O-OH 3.29Å; F36-L77 HydrophobicContact CB-CD1 4.23Å; F36-L77 HydrophobicContact CD1-CD1 3.61Å; F36-L77 HydrophobicContact CD2-CD1 3.77Å; F36-L77 HydrophobicContact CE1-CD1 3.7Å; F36-L77 HydrophobicContact CE2-CD1 3.89Å; F36-L77 HydrophobicContact CG-CD1 3.62Å; F36-L77 HydrophobicContact CZ-CB 4.39Å; F36-L77 HydrophobicContact CZ-CD1 3.83Å; F36-L87 HydrophobicContact CE2-CD1 4.3Å; F36-V89 HydrophobicContact CE1-CG1 4.16Å; F36-V89 HydrophobicContact CZ-CG1 4.31Å; F36-V89 HydrophobicContact CZ-CG2 3.86Å
37S91.8Very high90.3Very high66 Ų6661 Ų6146%0.46232%0.317SS..Hα-helixtrans-69.1-15.9173.6-165.70000113.8K33 D34 V39 G40K33-S37 WeakPolarHBondContact O-CB 3.45Å; K33-S37 PolarHBondContact O-N 3.48Å; D34-S37 WeakPolarHBondContact O-CB 3.4Å; D34-S37 PolarHBondContact O-N 2.81Å; D34-S37 VanDerWaalsContact O-N 3.08Å; S37-V39 PolarHBondContact O-N 3.23Å; S37-G40 WeakPolarHBondContact CA-O 3.5Å; S37-G40 PolarHBondContact O-N 2.8Å
38E90.5Very high90.5Very high133 Ų13362.1 Ų62.162%0.62132%0.323SS*.THydrogen-bonded Turntrans-63.6-31.1172.7-165.3-168.790.500112D34 I35 F36 R80D34-E38 PolarHBondContact O-N 3.24Å; I35-E38 WeakPolarHBondContact O-CB 3.19Å; I35-E38 PolarHBondContact O-N 2.96Å; F36-E38 PolarHBondContact O-N 2.83Å; E38-R80 IonicContact OE1-CZ 2.69Å; E38-R80 VanDerWaalsContact OE1-CZ 3.26Å; E38-R80 IonicContact OE1-NH1 3.75Å; E38-R80 PolarHBondContact OE1-NH1 3.31Å; E38-R80 IonicContact OE1-NH2 2.95Å; E38-R80 PolarHBondContact OE1-NH2 3.46Å; E38-R80 IonicContact OE2-CZ 3.67Å; E38-R80 IonicContact OE2-NH1 3.26Å; E38-R80 PolarHBondContact OE2-NH1 3.16Å
39V89.6Confident90.5Very high35 Ų3564.9 Ų64.921%0.21233%0.328CS..THydrogen-bonded Turntrans-90.4-26.7-180-177.40000112.3F36 S37 T69 A73 N76 L77F36-V39 PolarHBondContact O-N 3.25Å; S37-V39 PolarHBondContact O-N 3.23Å; V39-T69 HydrophobicContact CG1-CG2 4.48Å; V39-A73 HydrophobicContact CG1-CB 4.22Å; V39-N76 HydrophobicContact CG2-CB 4.42Å; V39-L77 HydrophobicContact CG2-CD1 3.99Å; V39-L77 HydrophobicContact CG2-CD2 3.72Å; V39-L77 HydrophobicContact CG2-CG 3.8Å
40G89.9Confident90.4Very high15 Ų1563.4 Ų63.416%0.15532%0.322CS..SBendtrans163.6-177.9171.200000113.9S37 V42S37-G40 WeakPolarHBondContact CA-O 3.5Å; S37-G40 PolarHBondContact O-N 2.8Å; G40-V42 PolarHBondContact O-N 2.77Å; G40-V42 VanDerWaalsContact O-N 3.08Å
41P91.6Very high90.1Very high69 Ų6968 Ų6845%0.44833%0.333SS..  trans-66.3110.4-170.325.7-34.1000112.7V43 Q65P41-V43 PolarHBondContact O-N 2.86Å; P41-Q65 HydrophobicContact CG-CB 4.06Å; P41-Q65 PolarHBondContact O-N 2.77Å
42V92.8Very high89.8Confident17 Ų1772.8 Ų72.810%0.10336%0.355CS..EExtended strand (participates in β ladder)trans-77.5115.9173.4179.10000109.9K33 F36 G40 F45 Y64K33-V42 HydrophobicContact CG-CB 4.3Å; K33-V42 HydrophobicContact CG-CG1 4.23Å; F36-V42 HydrophobicContact CB-CG2 3.81Å; G40-V42 PolarHBondContact O-N 2.77Å; G40-V42 VanDerWaalsContact O-N 3.08Å; V42-F45 HydrophobicContact CG1-CB 4.44Å; V42-Y64 HydrophobicContact CG2-CD1 4.19Å; V42-Y64 HydrophobicContact CG2-CE1 3.68Å
43V91.3Very high89.5Confident77 Ų7777 Ų7747%0.46738%0.381SS..EExtended strand (participates in β ladder)trans-73.4-44.5176.3172.60000110.6P41 E63 Q65P41-V43 PolarHBondContact O-N 2.86Å; V43-E63 HydrophobicContact CB-CG 4.41Å; V43-E63 WeakPolarHBondContact CB-O 3.16Å; V43-E63 PolarHBondContact N-O 3.36Å; V43-Q65 HydrophobicContact CG2-CB 4.01Å
44S86.8Confident89.1Confident52 Ų5274.8 Ų74.836%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-153.2139.8179.9-169.40000110.5E63S44-E63 PolarHBondContact N-O 3.08Å; S44-E63 PolarHBondContact O-N 3.4Å
45F92.2Very high88.8Confident11 Ų1175.8 Ų75.85%0.04839%0.385CS..EExtended strand (participates in β ladder)trans-117.5141.7165-161.1-75.4000107.1V20 E29 L32 F36 V42 L47 F61 C62V20-F45 HydrophobicContact CB-CZ 4.34Å; V20-F45 HydrophobicContact CG2-CE2 4.13Å; V20-F45 HydrophobicContact CG2-CZ 4.21Å; E29-F45 HydrophobicContact CG-CB 4.06Å; E29-F45 HydrophobicContact CG-CD1 3.76Å; E29-F45 HydrophobicContact CG-CG 4.25Å; L32-F45 HydrophobicContact CB-CD2 4.42Å; L32-F45 HydrophobicContact CB-CE1 4.06Å; L32-F45 HydrophobicContact CB-CE2 3.8Å; L32-F45 HydrophobicContact CB-CZ 3.61Å; L32-F45 HydrophobicContact CD1-CE1 3.91Å; L32-F45 HydrophobicContact CD1-CZ 3.87Å; L32-F45 HydrophobicContact CG-CZ 4.23Å; F36-F45 HydrophobicContact CD1-CE2 4.45Å; F36-F45 HydrophobicContact CD2-CE2 4.4Å; F36-F45 HydrophobicContact CG-CE2 4.33Å; V42-F45 HydrophobicContact CG1-CB 4.44Å; F45-L47 HydrophobicContact CE1-CB 4.36Å; F45-F61 CarbonylContact C-O 3.52Å; F45-C62 HydrophobicContact CD2-CB 3.67Å; F45-C62 HydrophobicContact CE2-CB 3.83Å
46R90.5Very high88.6Confident183 Ų18376 Ų7669%0.69139%0.388SS*.EExtended strand (participates in β ladder)trans-138.4103.5177.1-175.8-176.5-176.5-177.63.8110.1E29 G60 F61E29-R46 WeakPolarHBondContact OE2-CA 3.39Å; R46-G60 CarbonylContact O-C 3.53Å; R46-G60 WeakPolarHBondContact O-CA 3.06Å; R46-F61 PolarHBondContact N-O 3.29Å; R46-F61 PolarHBondContact O-N 3.18Å
47L90.6Very high88.5Confident5 Ų580.6 Ų80.63%0.02641%0.408CS..EExtended strand (participates in β ladder)trans-75.2139171-156.6146.1000110.6I23 E29 L32 F45 Y49 P56I23-L47 HydrophobicContact CD1-CD1 4.48Å; I23-L47 HydrophobicContact CG2-CD1 4.29Å; E29-L47 PolarHBondContact OE2-N 2.81Å; L32-L47 HydrophobicContact CD1-CD1 3.59Å; F45-L47 HydrophobicContact CE1-CB 4.36Å; L47-Y49 HydrophobicContact CB-CE2 3.93Å; L47-Y49 HydrophobicContact CD2-CD1 4.29Å; L47-Y49 HydrophobicContact CD2-CD2 4.41Å; L47-Y49 HydrophobicContact CD2-CE1 3.85Å; L47-Y49 HydrophobicContact CD2-CE2 3.99Å; L47-Y49 WeakPolarHBondContact O-CD2 3.46Å; L47-Y49 WeakPolarHBondContact O-CE2 3.45Å; L47-P56 HydrophobicContact CD2-CB 3.42Å; L47-P56 VanDerWaalsContact CD2-CB 3.42Å
48V89.5Confident88.3Confident30 Ų3078 Ų7818%0.18239%0.391CS..EExtended strand (participates in β ladder)trans-92.8116.3179.8-174.70000110.2K57 Y59 F61V48-K57 HydrophobicContact CG1-CD 3.92Å; V48-K57 HydrophobicContact CG1-CG 4.45Å; V48-K57 WeakPolarHBondContact O-CB 3.18Å; V48-K57 PolarHBondContact O-N 2.78Å; V48-Y59 HydrophobicContact CB-CD2 4.1Å; V48-Y59 HydrophobicContact CB-CE2 3.74Å; V48-Y59 HydrophobicContact CG1-CE2 4Å; V48-Y59 HydrophobicContact CG2-CD2 3.9Å; V48-Y59 HydrophobicContact CG2-CE2 3.58Å; V48-Y59 PolarHBondContact N-O 3.31Å; V48-F61 HydrophobicContact CG2-CD2 4.05Å; V48-F61 HydrophobicContact CG2-CE2 3.87Å
49Y88.4Confident88.4Confident113 Ų11374.8 Ų74.844%0.44337%0.374SS..EExtended strand (participates in β ladder)trans-96.7147.5173.9-56.9-91.7000110.6L47 K55 P56L47-Y49 HydrophobicContact CB-CE2 3.93Å; L47-Y49 HydrophobicContact CD2-CD1 4.29Å; L47-Y49 HydrophobicContact CD2-CD2 4.41Å; L47-Y49 HydrophobicContact CD2-CE1 3.85Å; L47-Y49 HydrophobicContact CD2-CE2 3.99Å; L47-Y49 WeakPolarHBondContact O-CD2 3.46Å; L47-Y49 WeakPolarHBondContact O-CE2 3.45Å; Y49-K55 WeakPolarHBondContact CA-O 3.5Å; Y49-P56 HydrophobicContact CD1-CB 4.13Å; Y49-P56 HydrophobicContact CE1-CB 4.07Å
50D87.1Confident88.5Confident43 Ų4373.1 Ų73.123%0.2336%0.364CS..PPolyproline II helixtrans-73.8132.9172.5-176.7-104.4000110.4E52 T53 G54 K55 K57D50-E52 PolarHBondContact O-N 2.81Å; D50-E52 PolarHBondContact OD1-N 3.27Å; D50-T53 WeakPolarHBondContact CB-OG1 3.49Å; D50-T53 WeakPolarHBondContact OD1-CB 3.3Å; D50-T53 PolarHBondContact OD1-N 2.91Å; D50-T53 PolarHBondContact OD1-OG1 2.88Å; D50-G54 WeakPolarHBondContact O-CA 3.24Å; D50-G54 PolarHBondContact O-N 2.91Å; D50-K55 WeakPolarHBondContact CB-O 3.18Å; D50-K55 PolarHBondContact N-O 3.46Å; D50-K57 HydrophobicContact CB-CD 4.37Å; D50-K57 HydrophobicContact CB-CG 3.93Å
51R83.4Confident88.6Confident250 Ų25076.2 Ų76.294%0.94337%0.373SS*.THydrogen-bonded Turntrans-77.4-20-171.8-69.9-176.775.6-168.35.2113.8
52E84.5Confident88.7Confident184 Ų18472.9 Ų72.986%0.8635%0.352SS*.THydrogen-bonded Turntrans-96-40.9-177.1-65.4178.877.400111.1D50D50-E52 PolarHBondContact O-N 2.81Å; D50-E52 PolarHBondContact OD1-N 3.27Å
53T85.6Confident88.7Confident89 Ų8973.5 Ų73.555%0.54635%0.353SS..THydrogen-bonded Turntrans-97.6-14-17863.90000114.2D50 K55D50-T53 WeakPolarHBondContact CB-OG1 3.49Å; D50-T53 WeakPolarHBondContact OD1-CB 3.3Å; D50-T53 PolarHBondContact OD1-N 2.91Å; D50-T53 PolarHBondContact OD1-OG1 2.88Å; T53-K55 PolarHBondContact O-N 3.28Å; T53-K55 VanDerWaalsContact O-N 3.14Å; T53-K55 PolarHBondContact OG1-N 3.14Å
54G83.6Confident88.8Confident53 Ų5369.9 Ų69.955%0.54633%0.331SS..  trans68.40.9-173.800000114.5D50D50-G54 WeakPolarHBondContact O-CA 3.24Å; D50-G54 PolarHBondContact O-N 2.91Å
55K83.9Confident89Confident144 Ų14472.6 Ų72.663%0.62634%0.338SS*.  trans-82.6146.5-174.5-63.8-170.1178.8-171.30111.4Y49 D50 T53 K57Y49-K55 WeakPolarHBondContact CA-O 3.5Å; D50-K55 WeakPolarHBondContact CB-O 3.18Å; D50-K55 PolarHBondContact N-O 3.46Å; T53-K55 PolarHBondContact O-N 3.28Å; T53-K55 VanDerWaalsContact O-N 3.14Å; T53-K55 PolarHBondContact OG1-N 3.14Å; K55-K57 PolarHBondContact O-N 2.89Å
56P86.9Confident88.9Confident27 Ų2775.8 Ų75.818%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-60.2134.5172.622.4-30000110.3Y25 L47 Y49 G58Y25-P56 HydrophobicContact CD1-CG 4.2Å; Y25-P56 WeakPolarHBondContact CD1-O 3.21Å; Y25-P56 VanDerWaalsContact CE1-O 3.24Å; Y25-P56 WeakPolarHBondContact CE1-O 3.29Å; Y25-P56 WeakPolarHBondContact O-CG 3.36Å; L47-P56 HydrophobicContact CD2-CB 3.42Å; L47-P56 VanDerWaalsContact CD2-CB 3.42Å; Y49-P56 HydrophobicContact CD1-CB 4.13Å; Y49-P56 HydrophobicContact CE1-CB 4.07Å; P56-G58 PolarHBondContact O-N 3.48Å
57K87.1Confident88.9Confident97 Ų9769.7 Ų69.742%0.42234%0.335SS..EExtended strand (participates in β ladder)trans-805.2-179.8-62-171.174.3-174.30114V48 D50 K55 Y59V48-K57 HydrophobicContact CG1-CD 3.92Å; V48-K57 HydrophobicContact CG1-CG 4.45Å; V48-K57 WeakPolarHBondContact O-CB 3.18Å; V48-K57 PolarHBondContact O-N 2.78Å; D50-K57 HydrophobicContact CB-CD 4.37Å; D50-K57 HydrophobicContact CB-CG 3.93Å; K55-K57 PolarHBondContact O-N 2.89Å; K57-Y59 VanDerWaalsContact C-N 3.3Å; K57-Y59 HydrophobicContact CB-CD1 3.73Å; K57-Y59 HydrophobicContact CB-CE1 3.43Å; K57-Y59 VanDerWaalsContact CB-CE1 3.43Å; K57-Y59 HydrophobicContact CD-CE1 3.94Å; K57-Y59 HydrophobicContact CG-CE1 4.3Å; K57-Y59 PolarHBondContact NZ-OH 2.94Å; K57-Y59 WeakPolarHBondContact O-CD1 3.33Å; K57-Y59 PolarHBondContact O-N 3.47Å
58G88.3Confident88.9Confident10 Ų1076.7 Ų76.710%0.10337%0.368CS..EExtended strand (participates in β ladder)trans72.918-176.100000114.6N22 I23 P56N22-G58 PolarHBondContact N-O 3.37Å; N22-G58 VanDerWaalsContact N-O 3.12Å; I23-G58 WeakPolarHBondContact CB-O 3.15Å; I23-G58 PolarHBondContact N-O 3.08Å; I23-G58 VanDerWaalsContact O-CA 3.3Å; I23-G58 WeakPolarHBondContact O-CA 3.47Å; P56-G58 PolarHBondContact O-N 3.48Å
59Y91.9Very high89.1Confident66 Ų6676.4 Ų76.426%0.25937%0.366SS..EExtended strand (participates in β ladder)trans-147.8161.8171.570.6-87.5000112.6F19 V20 V48 K57 F61F19-Y59 AromaticContact CE2-CD2 3.69Å; F19-Y59 HydrophobicContact CE2-CD2 3.69Å; F19-Y59 HydrophobicContact CE2-CG 4.01Å; F19-Y59 HydrophobicContact CZ-CD2 4.46Å; F19-Y59 HydrophobicContact CZ-CG 4.34Å; V20-Y59 CarbonylContact O-C 3.54Å; V20-Y59 WeakPolarHBondContact O-CA 3.21Å; V20-Y59 VanDerWaalsContact O-CB 3.28Å; V20-Y59 WeakPolarHBondContact O-CB 3.41Å; V48-Y59 HydrophobicContact CB-CD2 4.1Å; V48-Y59 HydrophobicContact CB-CE2 3.74Å; V48-Y59 HydrophobicContact CG1-CE2 4Å; V48-Y59 HydrophobicContact CG2-CD2 3.9Å; V48-Y59 HydrophobicContact CG2-CE2 3.58Å; V48-Y59 PolarHBondContact N-O 3.31Å; K57-Y59 VanDerWaalsContact C-N 3.3Å; K57-Y59 HydrophobicContact CB-CD1 3.73Å; K57-Y59 HydrophobicContact CB-CE1 3.43Å; K57-Y59 VanDerWaalsContact CB-CE1 3.43Å; K57-Y59 HydrophobicContact CD-CE1 3.94Å; K57-Y59 HydrophobicContact CG-CE1 4.3Å; K57-Y59 PolarHBondContact NZ-OH 2.94Å; K57-Y59 WeakPolarHBondContact O-CD1 3.33Å; K57-Y59 PolarHBondContact O-N 3.47Å; Y59-F61 HydrophobicContact CD2-CE2 4.44Å; Y59-F61 HydrophobicContact CE2-CE2 4.3Å
60G92.2Very high89.2Confident0 Ų071 Ų710%035%0.345CS..EExtended strand (participates in β ladder)trans-158.8-179.2-177.700000112V20 R46V20-G60 PolarHBondContact N-O 3.26Å; V20-G60 PolarHBondContact O-N 3.08Å; R46-G60 CarbonylContact O-C 3.53Å; R46-G60 WeakPolarHBondContact O-CA 3.06Å
61F93.1Very high89.4Confident80 Ų8073.4 Ų73.435%0.35136%0.357SS..EExtended strand (participates in β ladder)trans-128.9134.4177.1-61-87000109.6V18 F19 F45 R46 V48 Y59 A92V18-F61 CarbonylContact O-C 3.57Å; V18-F61 WeakPolarHBondContact O-CA 3.4Å; F19-F61 HydrophobicContact CB-CD1 4.48Å; F19-F61 HydrophobicContact CB-CE1 4.42Å; F19-F61 HydrophobicContact CD2-CD1 4.4Å; F19-F61 AromaticContact CD2-CE1 3.86Å; F19-F61 HydrophobicContact CD2-CE1 3.86Å; F19-F61 HydrophobicContact CD2-CZ 4.18Å; F45-F61 CarbonylContact C-O 3.52Å; R46-F61 PolarHBondContact N-O 3.29Å; R46-F61 PolarHBondContact O-N 3.18Å; V48-F61 HydrophobicContact CG2-CD2 4.05Å; V48-F61 HydrophobicContact CG2-CE2 3.87Å; Y59-F61 HydrophobicContact CD2-CE2 4.44Å; Y59-F61 HydrophobicContact CE2-CE2 4.3Å; F61-A92 HydrophobicContact CD1-CB 3.94Å; F61-A92 HydrophobicContact CE1-CB 4.42Å
62C93Very high89.8Confident0 Ų063.9 Ų63.90%033%0.329CS..EExtended strand (participates in β ladder)trans-117126.6177.7-176.20000109.4S17 V18 V20 F36 F45S17-C62 CarbonylContact C-O 3.5Å; S17-C62 WeakPolarHBondContact CA-O 3.43Å; V18-C62 PolarHBondContact N-O 3.12Å; V18-C62 PolarHBondContact O-N 2.77Å; V20-C62 HydrophobicContact CG2-CB 4.16Å; F36-C62 HydrophobicContact CD1-CB 3.81Å; F36-C62 VanDerWaalsContact CD1-SG 3.58Å; F36-C62 HydrophobicContact CE1-CB 4.18Å; F45-C62 HydrophobicContact CD2-CB 3.67Å; F45-C62 HydrophobicContact CE2-CB 3.83Å
63E92.3Very high90.2Very high30 Ų3055.1 Ų55.114%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-109125.7179.5-174.2175.6145.200109.2R13 V43 S44R13-E63 IonicContact CZ-OE1 3.58Å; R13-E63 IonicContact CZ-OE2 3.06Å; R13-E63 IonicContact NE-OE1 2.66Å; R13-E63 PolarHBondContact NE-OE1 2.92Å; R13-E63 IonicContact NE-OE2 3.89Å; R13-E63 PolarHBondContact NE-OE2 2.85Å; R13-E63 IonicContact NH2-OE1 2.75Å; R13-E63 IonicContact NH2-OE2 2.83Å; R13-E63 PolarHBondContact NH2-OE2 2.69Å; V43-E63 HydrophobicContact CB-CG 4.41Å; V43-E63 WeakPolarHBondContact CB-O 3.16Å; V43-E63 PolarHBondContact N-O 3.36Å; S44-E63 PolarHBondContact N-O 3.08Å; S44-E63 PolarHBondContact O-N 3.4Å
64Y94Very high90.5Very high0 Ų052.6 Ų52.60%027%0.27CS..EExtended strand (participates in β ladder)trans-102.4164.2179.7-74.4-80.2000112.1R16 V18 F36 V42 D66 T69 A70 A73R16-Y64 PolarHBondContact O-N 2.95Å; V18-Y64 HydrophobicContact CB-CE2 4.42Å; V18-Y64 HydrophobicContact CG2-CD2 3.92Å; V18-Y64 HydrophobicContact CG2-CE2 3.88Å; F36-Y64 WeakPolarHBondContact CB-OH 3.07Å; F36-Y64 HydrophobicContact CD1-CE2 4.27Å; F36-Y64 WeakPolarHBondContact CD1-OH 3.36Å; F36-Y64 PolarHBondContact O-OH 3.29Å; V42-Y64 HydrophobicContact CG2-CD1 4.19Å; V42-Y64 HydrophobicContact CG2-CE1 3.68Å; Y64-D66 VanDerWaalsContact C-N 3.3Å; Y64-T69 HydrophobicContact CD1-CG2 3.4Å; Y64-T69 VanDerWaalsContact CD1-CG2 3.4Å; Y64-T69 HydrophobicContact CE1-CG2 3.77Å; Y64-T69 HydrophobicContact CG-CG2 3.97Å; Y64-A70 HydrophobicContact CD2-CB 3.96Å; Y64-A73 HydrophobicContact CE2-CB 3.53Å; Y64-A73 WeakPolarHBondContact OH-CB 3.1Å
65Q90.3Very high90.8Very high110 Ų11060.5 Ų60.551%0.51428%0.284SS..SBendtrans-67.8-31.6173.6-174.1155.991.100112.3R16 P41 V43R16-Q65 WeakPolarHBondContact CD-O 3.41Å; R16-Q65 PolarHBondContact NH1-O 3.31Å; P41-Q65 HydrophobicContact CG-CB 4.06Å; P41-Q65 PolarHBondContact O-N 2.77Å; V43-Q65 HydrophobicContact CG2-CB 4.01Å
66D90.6Very high91.1Very high77 Ų7758.4 Ų58.441%0.41228%0.279SS..SBendtrans-134.5149.6-172.4-59.9-80.5000112.8Y64 E68 T69 A70Y64-D66 VanDerWaalsContact C-N 3.3Å; D66-E68 VanDerWaalsContact C-N 3.32Å; D66-E68 PolarHBondContact O-N 2.94Å; D66-T69 PolarHBondContact O-N 2.9Å; D66-A70 PolarHBondContact O-N 2.75Å
67Q90.7Very high91.3Very high55 Ų5557.1 Ų57.126%0.25727%0.271SS..Hα-helixtrans-66.5-37.1-179.8-178.9176.311.800110.9L15 R16 T69 A70 L71L15-Q67 HydrophobicContact CB-CG 4.23Å; R16-Q67 HydrophobicContact CG-CB 4.24Å; Q67-T69 VanDerWaalsContact C-N 3.33Å; Q67-T69 PolarHBondContact O-N 2.78Å; Q67-A70 WeakPolarHBondContact O-CB 3.41Å; Q67-A70 PolarHBondContact O-N 2.84Å; Q67-L71 HydrophobicContact CG-CD1 4.32Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 2.95Å
68E91.5Very high91.6Very high153 Ų15356.7 Ų56.772%0.71527%0.273SS*.Hα-helixtrans-67.2-34.6179.4-62.7-17984.100112D66 S72D66-E68 VanDerWaalsContact C-N 3.32Å; D66-E68 PolarHBondContact O-N 2.94Å; E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.41Å; E68-S72 PolarHBondContact O-N 2.78Å; E68-S72 PolarHBondContact O-OG 2.81Å
69T92.3Very high91.6Very high23 Ų2358.2 Ų58.214%0.14129%0.289CS..Hα-helixtrans-67.1-42.7172.2-50.10000111.3V39 Y64 D66 Q67 S72 A73V39-T69 HydrophobicContact CG1-CG2 4.48Å; Y64-T69 HydrophobicContact CD1-CG2 3.4Å; Y64-T69 VanDerWaalsContact CD1-CG2 3.4Å; Y64-T69 HydrophobicContact CE1-CG2 3.77Å; Y64-T69 HydrophobicContact CG-CG2 3.97Å; D66-T69 PolarHBondContact O-N 2.9Å; Q67-T69 VanDerWaalsContact C-N 3.33Å; Q67-T69 PolarHBondContact O-N 2.78Å; T69-S72 PolarHBondContact O-N 2.89Å; T69-A73 WeakPolarHBondContact O-CB 3.19Å; T69-A73 PolarHBondContact O-N 2.96Å
70A91.5Very high91.5Very high0 Ų058.3 Ų58.30%029%0.289CS..Hα-helixtrans-61-44.1174.700000112.6V18 Y64 D66 Q67 A73 M74V18-A70 HydrophobicContact CG2-CB 3.56Å; Y64-A70 HydrophobicContact CD2-CB 3.96Å; D66-A70 PolarHBondContact O-N 2.75Å; Q67-A70 WeakPolarHBondContact O-CB 3.41Å; Q67-A70 PolarHBondContact O-N 2.84Å; A70-A73 WeakPolarHBondContact O-CB 3.37Å; A70-A73 PolarHBondContact O-N 3.26Å; A70-M74 PolarHBondContact O-N 2.93Å; A70-M74 VanDerWaalsContact O-N 3.08Å
71L90.9Very high91.4Very high94 Ų9465.9 Ų65.949%0.49233%0.325SS..Hα-helixtrans-62.2-42.6173.2-68.7170.1000112Q67 A73 M74 R75Q67-L71 HydrophobicContact CG-CD1 4.32Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 2.95Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.49Å; L71-M74 HydrophobicContact CD2-CE 3.7Å; L71-M74 HydrophobicContact CG-CE 4.45Å; L71-M74 PolarHBondContact O-N 3.12Å; L71-R75 PolarHBondContact O-N 3.47Å; L71-R75 VanDerWaalsContact O-N 3.12Å
72S92.4Very high91.1Very high49 Ų4963.4 Ų63.434%0.34331%0.314SS..Hα-helixtrans-64.2-36.8176.5-61.40000111.8E68 T69 R75 N76E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.41Å; E68-S72 PolarHBondContact O-N 2.78Å; E68-S72 PolarHBondContact O-OG 2.81Å; T69-S72 PolarHBondContact O-N 2.89Å; S72-R75 PolarHBondContact O-N 2.83Å; S72-N76 WeakPolarHBondContact O-CB 3.28Å; S72-N76 PolarHBondContact O-N 3.43Å; S72-N76 PolarHBondContact O-ND2 2.66Å
73A92.2Very high90.7Very high0 Ų066.3 Ų66.30%033%0.334CS..Hα-helixtrans-65.7-44.7176.300000111.3V39 Y64 T69 A70 L71 R75 N76 L77V39-A73 HydrophobicContact CG1-CB 4.22Å; Y64-A73 HydrophobicContact CE2-CB 3.53Å; Y64-A73 WeakPolarHBondContact OH-CB 3.1Å; T69-A73 WeakPolarHBondContact O-CB 3.19Å; T69-A73 PolarHBondContact O-N 2.96Å; A70-A73 WeakPolarHBondContact O-CB 3.37Å; A70-A73 PolarHBondContact O-N 3.26Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.49Å; A73-R75 PolarHBondContact O-N 2.85Å; A73-N76 PolarHBondContact O-N 2.83Å; A73-L77 HydrophobicContact CB-CD1 3.95Å; A73-L77 HydrophobicContact CB-CG 4.47Å; A73-L77 WeakPolarHBondContact O-CA 3.42Å; A73-L77 WeakPolarHBondContact O-CB 3.33Å; A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 3.08Å
74M91.8Very high90.3Very high37 Ų3768.2 Ų68.218%0.18236%0.362CS..Hα-helixtrans-58.6-35172.9-72.2-173.9-73.800112.7V18 A70 L71 N78 V89 N91V18-M74 HydrophobicContact CG1-CG 3.84Å; V18-M74 HydrophobicContact CG2-CG 4.45Å; A70-M74 PolarHBondContact O-N 2.93Å; A70-M74 VanDerWaalsContact O-N 3.08Å; L71-M74 HydrophobicContact CD2-CE 3.7Å; L71-M74 HydrophobicContact CG-CE 4.45Å; L71-M74 PolarHBondContact O-N 3.12Å; M74-N78 WeakPolarHBondContact O-CB 3.48Å; M74-V89 HydrophobicContact CG-CG1 4.1Å; M74-N91 HydrophobicContact CE-CB 4.44Å; M74-N91 VanDerWaalsContact SD-CA 3.55Å; M74-N91 HydrophobicContact SD-CB 3.88Å; M74-N91 PolarHBondContact SD-N 2.72Å
75R90.6Very high90Very high218 Ų21873 Ų7382%0.82338%0.38SS*.Hα-helixtrans-77.9-37.4179.8-156.7179.7-153.5175.88.1114.2L71 S72 A73L71-R75 PolarHBondContact O-N 3.47Å; L71-R75 VanDerWaalsContact O-N 3.12Å; S72-R75 PolarHBondContact O-N 2.83Å; A73-R75 PolarHBondContact O-N 2.85Å
76N90.4Very high90.1Very high100 Ų10070 Ų7054%0.53537%0.374SS..Hα-helixtrans-104.2-14.9-170.5-62.3-71.9000114.5V39 S72 A73V39-N76 HydrophobicContact CG2-CB 4.42Å; S72-N76 WeakPolarHBondContact O-CB 3.28Å; S72-N76 PolarHBondContact O-N 3.43Å; S72-N76 PolarHBondContact O-ND2 2.66Å; A73-N76 PolarHBondContact O-N 2.83Å
77L91Very high90.2Very high0 Ų066.4 Ų66.40%035%0.354CS..Hα-helixtrans-108.6-19.5179-52.5-179.3000113I35 F36 V39 A73 G79 R80 V89I35-L77 HydrophobicContact CG2-CD2 4.34Å; F36-L77 HydrophobicContact CB-CD1 4.23Å; F36-L77 HydrophobicContact CD1-CD1 3.61Å; F36-L77 HydrophobicContact CD2-CD1 3.77Å; F36-L77 HydrophobicContact CE1-CD1 3.7Å; F36-L77 HydrophobicContact CE2-CD1 3.89Å; F36-L77 HydrophobicContact CG-CD1 3.62Å; F36-L77 HydrophobicContact CZ-CB 4.39Å; F36-L77 HydrophobicContact CZ-CD1 3.83Å; V39-L77 HydrophobicContact CG2-CD1 3.99Å; V39-L77 HydrophobicContact CG2-CD2 3.72Å; V39-L77 HydrophobicContact CG2-CG 3.8Å; A73-L77 HydrophobicContact CB-CD1 3.95Å; A73-L77 HydrophobicContact CB-CG 4.47Å; A73-L77 WeakPolarHBondContact O-CA 3.42Å; A73-L77 WeakPolarHBondContact O-CB 3.33Å; A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 3.08Å; L77-G79 PolarHBondContact O-N 3.1Å; L77-R80 VanDerWaalsContact CD2-NE 3.31Å; L77-R80 VanDerWaalsContact CD2-NH2 3.33Å; L77-R80 VanDerWaalsContact O-CB 3.26Å; L77-R80 WeakPolarHBondContact O-CB 3.37Å; L77-R80 PolarHBondContact O-N 3.4Å; L77-V89 HydrophobicContact CB-CG2 3.92Å
78N92.3Very high90.2Very high88 Ų8870.2 Ų70.247%0.47137%0.367SS..THydrogen-bonded Turntrans-66.3124.1174.7-173.948.3000110.5M74 V89M74-N78 WeakPolarHBondContact O-CB 3.48Å; N78-V89 HydrophobicContact CB-CB 3.94Å; N78-V89 PolarHBondContact OD1-N 3.32Å
79G88.9Confident90.3Very high43 Ų4363.2 Ų63.244%0.44333%0.334SS..THydrogen-bonded Turntrans86.7-4.8-173.200000114.9L77 E81 L87L77-G79 PolarHBondContact O-N 3.1Å; G79-E81 PolarHBondContact O-N 3.31Å; G79-L87 WeakPolarHBondContact CA-O 3.44Å; G79-L87 PolarHBondContact N-O 3.41Å
80R89Confident90.2Very high68 Ų6864.9 Ų64.926%0.25734%0.342SS..  trans-63.3128-178.7-177.1-179.6-69.7-138.9-0.2110.7E38 L77 A86 L87E38-R80 IonicContact OE1-CZ 2.69Å; E38-R80 VanDerWaalsContact OE1-CZ 3.26Å; E38-R80 IonicContact OE1-NH1 3.75Å; E38-R80 PolarHBondContact OE1-NH1 3.31Å; E38-R80 IonicContact OE1-NH2 2.95Å; E38-R80 PolarHBondContact OE1-NH2 3.46Å; E38-R80 IonicContact OE2-CZ 3.67Å; E38-R80 IonicContact OE2-NH1 3.26Å; E38-R80 PolarHBondContact OE2-NH1 3.16Å; L77-R80 VanDerWaalsContact CD2-NE 3.31Å; L77-R80 VanDerWaalsContact CD2-NH2 3.33Å; L77-R80 VanDerWaalsContact O-CB 3.26Å; L77-R80 WeakPolarHBondContact O-CB 3.37Å; L77-R80 PolarHBondContact O-N 3.4Å; R80-A86 WeakPolarHBondContact O-CA 3.22Å; R80-L87 PolarHBondContact O-N 3.2Å
81E90.1Very high90.1Very high159 Ų15967.6 Ų67.674%0.74336%0.357SS*.EExtended strand (participates in β ladder)trans-73.8127.5178.8-64-175.984.200111.9G79 R85G79-E81 PolarHBondContact O-N 3.31Å; E81-R85 WeakPolarHBondContact CA-O 3.44Å
82F87.5Confident89.6Confident28 Ų2864 Ų6412%0.12334%0.34CS..EExtended strand (participates in β ladder)trans-140.6126175.7-177.8-103.6000109.9P24 A27 Q31 I35 G84 R85 L87P24-F82 HydrophobicContact CG-CD1 3.55Å; P24-F82 HydrophobicContact CG-CE1 3.83Å; A27-F82 HydrophobicContact CB-CD1 4.43Å; A27-F82 HydrophobicContact CB-CE1 3.63Å; A27-F82 HydrophobicContact CB-CZ 4.49Å; Q31-F82 HydrophobicContact CB-CE2 4.43Å; Q31-F82 HydrophobicContact CB-CZ 4.03Å; I35-F82 HydrophobicContact CD1-CD2 3.3Å; I35-F82 HydrophobicContact CD1-CE2 3.52Å; I35-F82 HydrophobicContact CD1-CG 4.02Å; I35-F82 HydrophobicContact CD1-CZ 4.39Å; F82-G84 PolarHBondContact O-N 3.01Å; F82-G84 VanDerWaalsContact O-N 3.15Å; F82-R85 PolarHBondContact N-O 3.1Å; F82-R85 PolarHBondContact O-N 2.7Å; F82-L87 HydrophobicContact CB-CD1 3.97Å; F82-L87 HydrophobicContact CB-CD2 4.14Å; F82-L87 HydrophobicContact CB-CG 3.93Å
83S83.8Confident88.5Confident60 Ų6063.3 Ų63.342%0.4234%0.338SS..THydrogen-bonded Turntrans40.644.7-166.2-66.70000114E26 R85E26-S83 WeakPolarHBondContact OE2-CB 3.37Å; E26-S83 PolarHBondContact OE2-OG 2.91Å; S83-R85 VanDerWaalsContact C-N 3.3Å; S83-R85 PolarHBondContact O-N 3.23Å
84G84.8Confident86.9Confident71 Ų7166.8 Ų66.873%0.73236%0.362SS*.THydrogen-bonded Turntrans70.218.6-179.800000115.2F82F82-G84 PolarHBondContact O-N 3.01Å; F82-G84 VanDerWaalsContact O-N 3.15Å
85R87.5Confident85Confident101 Ų10172.1 Ų72.138%0.38139%0.387SS..EExtended strand (participates in β ladder)trans-126.1132.8172.9-61.1-170-174.6175.9-0111.1E81 F82 S83 L87E81-R85 WeakPolarHBondContact CA-O 3.44Å; F82-R85 PolarHBondContact N-O 3.1Å; F82-R85 PolarHBondContact O-N 2.7Å; S83-R85 VanDerWaalsContact C-N 3.3Å; S83-R85 PolarHBondContact O-N 3.23Å; R85-L87 PolarHBondContact O-N 2.75Å
86A91.2Very high83Confident46 Ų4670.2 Ų70.238%0.3838%0.384SS..EExtended strand (participates in β ladder)trans-70.5116.1172.100000110.5N22 R80N22-A86 PolarHBondContact ND2-O 3.32Å; R80-A86 WeakPolarHBondContact O-CA 3.22Å
87L93.2Very high81Confident1 Ų168.3 Ų68.31%0.00537%0.374CS..PPolyproline II helixtrans-64.2131.6173.9-63.2177.2000109.6I23 L32 F36 G79 R80 F82 R85 V89I23-L87 HydrophobicContact CG1-CD2 4.32Å; L32-L87 HydrophobicContact CD2-CD1 4.42Å; L32-L87 HydrophobicContact CD2-CD2 4.38Å; F36-L87 HydrophobicContact CE2-CD1 4.3Å; G79-L87 WeakPolarHBondContact CA-O 3.44Å; G79-L87 PolarHBondContact N-O 3.41Å; R80-L87 PolarHBondContact O-N 3.2Å; F82-L87 HydrophobicContact CB-CD1 3.97Å; F82-L87 HydrophobicContact CB-CD2 4.14Å; F82-L87 HydrophobicContact CB-CG 3.93Å; R85-L87 PolarHBondContact O-N 2.75Å; L87-V89 HydrophobicContact CB-CG2 4.44Å
88R91.7Very high79.1Confident136 Ų13674.7 Ų74.751%0.51340%0.402SS..EExtended strand (participates in β ladder)trans-92.3126.8171.5-178.4178.5171.1-158.1-6.7108.7V20 G21 D90V20-R88 CarbonylContact C-O 3.59Å; V20-R88 WeakPolarHBondContact CA-O 3.39Å; G21-R88 PolarHBondContact N-O 2.9Å; G21-R88 PolarHBondContact O-N 3.36Å; R88-D90 IonicContact CZ-OD2 2.97Å; R88-D90 IonicContact NE-OD2 2.7Å; R88-D90 IonicContact NH2-OD2 2.67Å; R88-D90 PolarHBondContact NH2-OD2 3.11Å
89V93.3Very high77Confident6 Ų677.4 Ų77.44%0.03641%0.412CS..EExtended strand (participates in β ladder)trans-127.2119.8-177.2-170.10000109V18 F19 F36 M74 L77 N78 L87V18-V89 HydrophobicContact CG1-CG1 3.21Å; F19-V89 WeakPolarHBondContact O-CA 3.39Å; F36-V89 HydrophobicContact CE1-CG1 4.16Å; F36-V89 HydrophobicContact CZ-CG1 4.31Å; F36-V89 HydrophobicContact CZ-CG2 3.86Å; M74-V89 HydrophobicContact CG-CG1 4.1Å; L77-V89 HydrophobicContact CB-CG2 3.92Å; N78-V89 HydrophobicContact CB-CB 3.94Å; N78-V89 PolarHBondContact OD1-N 3.32Å; L87-V89 HydrophobicContact CB-CG2 4.44Å
90D90.6Very high74.9Confident58 Ų5882 Ų8231%0.3142%0.422SS..EExtended strand (participates in β ladder)trans-140.9172.2-167.5-150.8-58.8000110.2V18 F19 R88V18-D90 CarbonylContact C-O 3.59Å; V18-D90 WeakPolarHBondContact CG1-O 3.18Å; F19-D90 HydrophobicContact CB-CB 4.35Å; F19-D90 HydrophobicContact CD1-CB 3.94Å; F19-D90 PolarHBondContact N-O 2.91Å; F19-D90 PolarHBondContact O-N 2.95Å; R88-D90 IonicContact CZ-OD2 2.97Å; R88-D90 IonicContact NE-OD2 2.7Å; R88-D90 IonicContact NH2-OD2 2.67Å; R88-D90 PolarHBondContact NH2-OD2 3.11Å
91N88.5Confident73Confident56 Ų5683.2 Ų83.230%0.29943%0.433SS..EExtended strand (participates in β ladder)trans-76.2127.6-176.9-175.230.7000110.5M74 A93M74-N91 HydrophobicContact CE-CB 4.44Å; M74-N91 VanDerWaalsContact SD-CA 3.55Å; M74-N91 HydrophobicContact SD-CB 3.88Å; M74-N91 PolarHBondContact SD-N 2.72Å; N91-A93 PolarHBondContact O-N 2.95Å
92A81.3Confident71Confident18 Ų1883.4 Ų83.415%0.14943%0.431CS..THydrogen-bonded Turntrans-70-17-178.400000113.5S17 F61 S94S17-A92 VanDerWaalsContact CB-CB 3.46Å; S17-A92 WeakPolarHBondContact O-CB 3.34Å; S17-A92 PolarHBondContact O-N 3.07Å; S17-A92 VanDerWaalsContact O-N 3.1Å; F61-A92 HydrophobicContact CD1-CB 3.94Å; F61-A92 HydrophobicContact CE1-CB 4.42Å; A92-S94 PolarHBondContact O-N 3.26Å
93A68.9Low68.8Low36 Ų3686.3 Ų86.330%0.29846%0.455SS..THydrogen-bonded Turntrans-73.629.1177.700000114N91N91-A93 PolarHBondContact O-N 2.95Å
94S58.3Low66.9Low72 Ų7290.9 Ų90.950%0.50347%0.474SS..SBendtrans-95.8138.7177.8-159.90000113.1A92 K96A92-S94 PolarHBondContact O-N 3.26Å; S94-K96 PolarHBondContact O-N 3.06Å
95E52.7Low64.8Low150 Ų15090.6 Ų90.670%0.70147%0.47SS*.THydrogen-bonded Turntrans56.7-74.5172.4-65.4177.591.600117N97 K98E95-N97 PolarHBondContact O-N 3.35Å; E95-K98 VanDerWaalsContact O-CB 3.29Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 2.88Å; E95-K98 VanDerWaalsContact O-N 3.07Å
96K48Very low62.4Low178 Ų17892.7 Ų92.777%0.77450%0.495SS*.THydrogen-bonded Turntrans-65.5-41.8-172-85.2-171.5170.5-173.10114.1S94 K98 E99 E100S94-K96 PolarHBondContact O-N 3.06Å; K96-K98 PolarHBondContact O-N 3.24Å; K96-E99 PolarHBondContact O-N 2.97Å; K96-E99 VanDerWaalsContact O-N 3.16Å; K96-E100 PolarHBondContact O-N 3.35Å
97N48.8Very low59.8Low59 Ų5994.3 Ų94.332%0.31652%0.516SS..Hα-helixtrans-70.4-13.2177.7-149.497000112.3S14 E95 E99 L101S14-N97 PolarHBondContact OG-ND2 3.43Å; S14-N97 PolarHBondContact OG-OD1 3.44Å; E95-N97 PolarHBondContact O-N 3.35Å; N97-E99 VanDerWaalsContact C-N 3.26Å; N97-E99 PolarHBondContact O-N 3.07Å; N97-L101 WeakPolarHBondContact O-CB 3.28Å; N97-L101 PolarHBondContact O-N 3.49Å
98K49.8Very low56.7Low134 Ų13498.2 Ų98.258%0.58355%0.549SS*.Hα-helixtrans-77.7-11.8174.7-16516966-179.70112.6E95 K96 K102E95-K98 VanDerWaalsContact O-CB 3.29Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 2.88Å; E95-K98 VanDerWaalsContact O-N 3.07Å; K96-K98 PolarHBondContact O-N 3.24Å; K98-K102 VanDerWaalsContact O-CD 3.23Å; K98-K102 WeakPolarHBondContact O-CD 3.29Å; K98-K102 WeakPolarHBondContact O-CE 3.18Å; K98-K102 VanDerWaalsContact O-CG 3.26Å; K98-K102 WeakPolarHBondContact O-CG 3.32Å
99E49.5Very low54.2Low146 Ų14697.1 Ų97.168%0.68256%0.559SS**Hα-helixtrans-105.1-43.2-176.6-142.6151.982.300111.6K96 N97 K102 S103K96-E99 PolarHBondContact O-N 2.97Å; K96-E99 VanDerWaalsContact O-N 3.16Å; N97-E99 VanDerWaalsContact C-N 3.26Å; N97-E99 PolarHBondContact O-N 3.07Å; E99-K102 PolarHBondContact O-N 3.16Å; E99-S103 PolarHBondContact O-N 3.27Å; E99-S103 PolarHBondContact O-OG 3.22Å
100E45.4Very low51.8Low140 Ų140103.2 Ų103.265%0.65460%0.596SS**Hα-helixtrans-65.8-37.8170.6-74.2-173.270.900112.5K96 K102 S103 L104K96-E100 PolarHBondContact O-N 3.35Å; E100-K102 PolarHBondContact O-N 3.34Å; E100-S103 WeakPolarHBondContact O-CB 3.19Å; E100-S103 PolarHBondContact O-N 3Å; E100-L104 PolarHBondContact O-N 3.46Å
101L47.8Very low49.7Very low92 Ų92106 Ų10648%0.48261%0.61SS.*THydrogen-bonded Turntrans-69.4-15.4176.7-148.186.5000113.5V11 N97V11-L101 HydrophobicContact CG2-CD1 3.63Å; V11-L101 HydrophobicContact CG2-CD2 3.72Å; V11-L101 HydrophobicContact CG2-CG 4.27Å; N97-L101 WeakPolarHBondContact O-CB 3.28Å; N97-L101 PolarHBondContact O-N 3.49Å
102K48.3Very low47.8Very low163 Ų163111.8 Ų111.871%0.70964%0.635SS**THydrogen-bonded Turntrans-84.1-14.1168.8-71.9175.9-178.4-172.70113K98 E99 E100K98-K102 VanDerWaalsContact O-CD 3.23Å; K98-K102 WeakPolarHBondContact O-CD 3.29Å; K98-K102 WeakPolarHBondContact O-CE 3.18Å; K98-K102 VanDerWaalsContact O-CG 3.26Å; K98-K102 WeakPolarHBondContact O-CG 3.32Å; E99-K102 PolarHBondContact O-N 3.16Å; E100-K102 PolarHBondContact O-N 3.34Å
103S42.1Very low45.8Very low89 Ų89113.8 Ų113.862%0.62265%0.648SS**THydrogen-bonded Turntrans-102.1-16.3-167.6-57.90000114.1E99 E100E99-S103 PolarHBondContact O-N 3.27Å; E99-S103 PolarHBondContact O-OG 3.22Å; E100-S103 WeakPolarHBondContact O-CB 3.19Å; E100-S103 PolarHBondContact O-N 3Å
104L44Very low45.2Very low157 Ų157117.6 Ų117.682%0.82267%0.669SS**SBendtrans-118.639.8-179.8-100.788.8000113.2E100E100-L104 PolarHBondContact O-N 3.46Å
105G39.7Very low45Very low64 Ų64121.4 Ų121.466%0.6667%0.674SS**  trans-62.5143.3-16900000116.1
106T37.2Very low45.4Very low146 Ų146116.8 Ų116.890%0.89667%0.666SS**  trans-156.4139.5148.6-28.10000109.3
107G37.3Very low46.1Very low80 Ų80116.9 Ų116.983%0.82567%0.67SS**SBendtrans134.4-45.1148.600000118.7
108A28.4Very low46.8Very low83 Ų83121 Ų12169%0.68670%0.697SS**  trans-167.4135.717000000110.8V110A108-V110 PolarHBondContact O-N 2.99Å; A108-V110 VanDerWaalsContact O-N 3.08Å
109P37.3Very low47.7Very low112 Ų112118.6 Ų118.673%0.72769%0.69SS**  trans-68108.515730.6-29.5000106.9I111P109-I111 HydrophobicContact CB-CG1 4.13Å; P109-I111 HydrophobicContact CG-CG1 4.38Å; P109-I111 PolarHBondContact O-N 2.63Å
110V44.2Very low48.8Very low135 Ų135114.8 Ų114.882%0.81868%0.679SS**  trans-61.891.7136.5177.40000103.9A108 E112A108-V110 PolarHBondContact O-N 2.99Å; A108-V110 VanDerWaalsContact O-N 3.08Å; V110-E112 PolarHBondContact O-N 2.89Å
111I47Very low49.9Very low117 Ų117113.9 Ų113.960%0.669%0.686SS**  trans-53103.4150.9-55166.9000102.1P109 S113P109-I111 HydrophobicContact CB-CG1 4.13Å; P109-I111 HydrophobicContact CG-CG1 4.38Å; P109-I111 PolarHBondContact O-N 2.63Å; I111-S113 PolarHBondContact O-N 2.91Å
112E47.5Very low51.2Low176 Ų176117.6 Ų117.682%0.82270%0.7SS**  trans-60.489.1157.3-174.7179110.100103.1V110 P114V110-E112 PolarHBondContact O-N 2.89Å; E112-P114 WeakPolarHBondContact O-CD 3.49Å
113S40.3Very low52.6Low61 Ų61113 Ų11343%0.42768%0.683SS.*  trans-53.7122.4-177.8-81.60000104.8I111 Y115 G116I111-S113 PolarHBondContact O-N 2.91Å; S113-Y115 PolarHBondContact O-N 3.49Å; S113-G116 PolarHBondContact O-N 2.92Å
114P55.8Low54.2Low115 Ų115110 Ų11075%0.74766%0.664SS**THydrogen-bonded Turntrans-66.412.6-17524.9-33.6000113.5E112E112-P114 WeakPolarHBondContact O-CD 3.49Å
115Y53.5Low55.9Low152 Ų152105 Ų10560%0.59664%0.641SS**THydrogen-bonded Turntrans-113.2-0.8178.4-61.8-76.1000113.2S113S113-Y115 PolarHBondContact O-N 3.49Å
116G61Low57.8Low53 Ų53108.6 Ų108.655%0.54664%0.641SS.*  trans76.5-159.1178.200000114.7S113S113-G116 PolarHBondContact O-N 2.92Å
117E64Low59.9Low181 Ų181103.3 Ų103.385%0.84661%0.61SS**SBendtrans-65.2147.8171.5-87.1168.859.400111.4I119E117-I119 PolarHBondContact O-N 3.44Å
118T62.2Low62.1Low146 Ų146101 Ų10190%0.89658%0.579SS**  trans-75.697.4-179.452.20000110.9
119I69.4Low64.7Low82 Ų8299 Ų9942%0.42156%0.56SS.*  trans-79.8139.3178.1-49150.4000110.1E117 D123 A124E117-I119 PolarHBondContact O-N 3.44Å; I119-D123 HydrophobicContact CG2-CB 3.8Å; I119-A124 HydrophobicContact CG2-CB 4.49Å
120S71.4Confident66.8Low66 Ų66101.1 Ų101.146%0.46256%0.557SS.*  trans-61.8145.2170.6-64.90000111.5E122 D123 A124S120-E122 PolarHBondContact O-N 3.23Å; S120-E122 VanDerWaalsContact O-N 3.07Å; S120-D123 PolarHBondContact O-N 3.26Å; S120-A124 PolarHBondContact O-N 2.82Å
121P69.8Low68.7Low122 Ų12297.6 Ų97.679%0.79254%0.542SS*.THydrogen-bonded Turntrans-63.5-19.6-175.625.9-35.3000114.3
122E75Confident70.4Confident169 Ų16992.4 Ų92.479%0.7952%0.516SS*.THydrogen-bonded Turntrans-75.2-33.3172.864.8-162.382.700113.7S120S120-E122 PolarHBondContact O-N 3.23Å; S120-E122 VanDerWaalsContact O-N 3.07Å
123D76.9Confident72.1Confident66 Ų6687 Ų8735%0.35350%0.502SS..THydrogen-bonded Turntrans-93.9-23.5-176.6-170.3-80000112.2I119 S120 P125 E126 S127I119-D123 HydrophobicContact CG2-CB 3.8Å; S120-D123 PolarHBondContact O-N 3.26Å; D123-P125 VanDerWaalsContact C-CD 3.4Å; D123-P125 VanDerWaalsContact C-N 3.35Å; D123-P125 VanDerWaalsContact O-N 3.1Å; D123-E126 PolarHBondContact O-N 3.48Å; D123-S127 PolarHBondContact O-N 3.01Å; D123-S127 WeakPolarHBondContact OD1-CB 3.46Å; D123-S127 PolarHBondContact OD1-OG 3.45Å
124A76.7Confident74.2Confident27 Ų2789 Ų8922%0.22352%0.515CS..Hα-helixtrans-39.7-47.8176.400000115.6I119 S120 E126 I128I119-A124 HydrophobicContact CG2-CB 4.49Å; S120-A124 PolarHBondContact O-N 2.82Å; A124-E126 PolarHBondContact O-N 3.06Å; A124-I128 WeakPolarHBondContact O-CB 3.39Å; A124-I128 WeakPolarHBondContact O-CD1 3.31Å; A124-I128 WeakPolarHBondContact O-CG1 3.27Å; A124-I128 PolarHBondContact O-N 3.45Å
125P78.6Confident75.5Confident51 Ų5187 Ų8733%0.33150%0.498SS..Hα-helixtrans-66.7-34.7178.226.7-35.6000113.8D123 S129 Y170D123-P125 VanDerWaalsContact C-CD 3.4Å; D123-P125 VanDerWaalsContact C-N 3.35Å; D123-P125 VanDerWaalsContact O-N 3.1Å; P125-S129 VanDerWaalsContact O-CB 3.27Å; P125-S129 WeakPolarHBondContact O-CB 3.23Å; P125-S129 PolarHBondContact O-N 3.35Å; P125-Y170 HydrophobicContact CB-CE1 3.94Å; P125-Y170 WeakPolarHBondContact CB-OH 3.31Å
126E80.5Confident77.1Confident140 Ų14082.7 Ų82.765%0.65449%0.489SS*.Hα-helixtrans-74.3-44.3177.2-173.9166.8124.200110.7D123 A124 I128 S129 K130D123-E126 PolarHBondContact O-N 3.48Å; A124-E126 PolarHBondContact O-N 3.06Å; E126-I128 PolarHBondContact O-N 3.16Å; E126-S129 WeakPolarHBondContact O-CB 3.26Å; E126-S129 PolarHBondContact O-N 2.9Å; E126-S129 VanDerWaalsContact O-N 3.16Å; E126-K130 WeakPolarHBondContact O-CB 3.36Å; E126-K130 PolarHBondContact O-N 3.49Å
127S81.9Confident78Confident35 Ų3584.8 Ų84.825%0.24549%0.492CS..Hα-helixtrans-60.2-41.7174-84.40000112.7D123 K130 A131D123-S127 PolarHBondContact O-N 3.01Å; D123-S127 WeakPolarHBondContact OD1-CB 3.46Å; D123-S127 PolarHBondContact OD1-OG 3.45Å; S127-K130 PolarHBondContact O-N 3.16Å; S127-A131 VanDerWaalsContact O-CB 3.31Å; S127-A131 WeakPolarHBondContact O-CB 3.45Å; S127-A131 PolarHBondContact O-N 3.41Å
128I83.2Confident79.2Confident33 Ų3383.2 Ų83.217%0.16949%0.485CS..Hα-helixtrans-65.5-43172.7-65.8161.9000110.8A124 E126 K130 A131 V132 Y170 A171A124-I128 WeakPolarHBondContact O-CB 3.39Å; A124-I128 WeakPolarHBondContact O-CD1 3.31Å; A124-I128 WeakPolarHBondContact O-CG1 3.27Å; A124-I128 PolarHBondContact O-N 3.45Å; E126-I128 PolarHBondContact O-N 3.16Å; I128-K130 VanDerWaalsContact C-N 3.34Å; I128-K130 PolarHBondContact O-N 3.41Å; I128-A131 PolarHBondContact O-N 3.01Å; I128-V132 HydrophobicContact CG2-CG2 4.17Å; I128-V132 WeakPolarHBondContact O-CB 3.43Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.46Å; I128-Y170 HydrophobicContact CB-CD1 4.22Å; I128-Y170 HydrophobicContact CD1-CD1 4.02Å; I128-Y170 HydrophobicContact CG2-CD1 3.9Å; I128-A171 HydrophobicContact CG2-CB 3.82Å
129S81.9Confident80.3Confident41 Ų4182 Ų8229%0.28747%0.469SS..Hα-helixtrans-57.8-46.8176.6-177.90000111.9P125 E126 V132 A133 Q174P125-S129 VanDerWaalsContact O-CB 3.27Å; P125-S129 WeakPolarHBondContact O-CB 3.23Å; P125-S129 PolarHBondContact O-N 3.35Å; E126-S129 WeakPolarHBondContact O-CB 3.26Å; E126-S129 PolarHBondContact O-N 2.9Å; E126-S129 VanDerWaalsContact O-N 3.16Å; S129-V132 PolarHBondContact O-N 2.9Å; S129-A133 WeakPolarHBondContact O-CB 3.31Å; S129-A133 PolarHBondContact O-N 2.81Å; S129-Q174 PolarHBondContact OG-NE2 2.85Å
130K82.6Confident81Confident156 Ų15678.3 Ų78.368%0.67845%0.45SS*.Hα-helixtrans-65.2-43.3177.6-173.9178.1179.3-178.30112.2E126 S127 I128 S134E126-K130 WeakPolarHBondContact O-CB 3.36Å; E126-K130 PolarHBondContact O-N 3.49Å; S127-K130 PolarHBondContact O-N 3.16Å; I128-K130 VanDerWaalsContact C-N 3.34Å; I128-K130 PolarHBondContact O-N 3.41Å; K130-S134 VanDerWaalsContact O-CB 3.28Å; K130-S134 WeakPolarHBondContact O-CB 3.04Å; K130-S134 PolarHBondContact O-N 3.28Å
131A83Confident81.6Confident60 Ų6081.1 Ų81.150%0.49645%0.454SS..Hα-helixtrans-61.9-48.5176.100000111.5S127 I128 S134 L135S127-A131 VanDerWaalsContact O-CB 3.31Å; S127-A131 WeakPolarHBondContact O-CB 3.45Å; S127-A131 PolarHBondContact O-N 3.41Å; I128-A131 PolarHBondContact O-N 3.01Å; A131-S134 PolarHBondContact O-N 3.39Å; A131-L135 PolarHBondContact O-N 3.28Å
132V83.6Confident82.4Confident8 Ų879.1 Ų79.15%0.04844%0.435CS..Hα-helixtrans-65.5-42.9178.3173.90000111.3I128 S129 S134 L135 M140 A171 Q174 A175I128-V132 HydrophobicContact CG2-CG2 4.17Å; I128-V132 WeakPolarHBondContact O-CB 3.43Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.46Å; S129-V132 PolarHBondContact O-N 2.9Å; V132-S134 PolarHBondContact O-N 2.93Å; V132-L135 WeakPolarHBondContact O-CB 3.39Å; V132-L135 PolarHBondContact O-N 3.07Å; V132-L135 VanDerWaalsContact O-N 3.16Å; V132-M140 HydrophobicContact CG1-CE 3.71Å; V132-M140 HydrophobicContact CG1-SD 4.32Å; V132-M140 WeakPolarHBondContact O-CE 3.14Å; V132-A171 HydrophobicContact CG2-CB 3.96Å; V132-Q174 HydrophobicContact CB-CG 4.16Å; V132-Q174 HydrophobicContact CG1-CB 4.48Å; V132-Q174 HydrophobicContact CG1-CG 4.13Å; V132-A175 HydrophobicContact CG1-CB 3.99Å
133A81.6Confident83Confident64 Ų6473.7 Ų73.753%0.52941%0.411SS..Hα-helixtrans-67.2-22.617700000113.7S129S129-A133 WeakPolarHBondContact O-CB 3.31Å; S129-A133 PolarHBondContact O-N 2.81Å
134S84.7Confident83.4Confident101 Ų10172 Ų7271%0.70640%0.401SS*.THydrogen-bonded Turntrans-83.2-8.6174.4-169.90000113.7K130 A131 V132K130-S134 VanDerWaalsContact O-CB 3.28Å; K130-S134 WeakPolarHBondContact O-CB 3.04Å; K130-S134 PolarHBondContact O-N 3.28Å; A131-S134 PolarHBondContact O-N 3.39Å; V132-S134 PolarHBondContact O-N 2.93Å
135L83Confident83.9Confident73 Ų7375.8 Ų75.838%0.38241%0.413SS..SBendtrans-77.3137.4174.3-66.8173.6000110.4A131 V132 M140A131-L135 PolarHBondContact O-N 3.28Å; V132-L135 WeakPolarHBondContact O-CB 3.39Å; V132-L135 PolarHBondContact O-N 3.07Å; V132-L135 VanDerWaalsContact O-N 3.16Å; L135-M140 HydrophobicContact CB-CE 4.45Å
136P87.3Confident84.4Confident63 Ų6380.1 Ų80.141%0.40943%0.428SS..  trans-63.4150.2170.828.4-34.1000110.2E138 Q139 M140P136-E138 PolarHBondContact O-N 3.1Å; P136-E138 VanDerWaalsContact O-N 3.1Å; P136-Q139 HydrophobicContact CG-CB 4.1Å; P136-Q139 HydrophobicContact CG-CG 3.67Å; P136-Q139 PolarHBondContact O-N 3.17Å; P136-M140 PolarHBondContact O-N 2.94Å
137P81.6Confident84.8Confident96 Ų9674.8 Ų74.862%0.62340%0.404SS*.Hα-helixtrans-60.2-28.2-172.623.4-34.3000113.3M140 F141P137-M140 PolarHBondContact O-N 2.74Å; P137-F141 WeakPolarHBondContact O-CB 3.46Å; P137-F141 PolarHBondContact O-N 3.34Å
138E87.7Confident85.1Confident149 Ų14980.6 Ų80.670%0.69642%0.424SS*.Hα-helixtrans-62.8-47175.5-61.7173.597.800112.2P136 M140 F141 E142P136-E138 PolarHBondContact O-N 3.1Å; P136-E138 VanDerWaalsContact O-N 3.1Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 2.85Å; E138-F141 PolarHBondContact O-N 2.9Å; E138-E142 PolarHBondContact O-N 2.97Å
139Q86Confident85.4Confident119 Ų11983.6 Ų83.656%0.55644%0.44SS*.Hα-helixtrans-66.3-38.3178.7-69.6-6896.100111.4P136 F141 L143P136-Q139 HydrophobicContact CG-CB 4.1Å; P136-Q139 HydrophobicContact CG-CG 3.67Å; P136-Q139 PolarHBondContact O-N 3.17Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.07Å; Q139-L143 WeakPolarHBondContact O-CB 3.35Å; Q139-L143 PolarHBondContact O-N 3.05Å
140M83.3Confident85.7Confident6 Ų683.3 Ų83.33%0.0344%0.438CS..Hα-helixtrans-67.9-31.5175.9-168.4-176.5-55.400111.7V132 L135 P136 P137 E138 M144 A175 V178 M179V132-M140 HydrophobicContact CG1-CE 3.71Å; V132-M140 HydrophobicContact CG1-SD 4.32Å; V132-M140 WeakPolarHBondContact O-CE 3.14Å; L135-M140 HydrophobicContact CB-CE 4.45Å; P136-M140 PolarHBondContact O-N 2.94Å; P137-M140 PolarHBondContact O-N 2.74Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 2.85Å; M140-M144 WeakPolarHBondContact O-CG 3.17Å; M140-M144 PolarHBondContact O-N 3.08Å; M140-M144 VanDerWaalsContact O-N 3.16Å; M140-A175 HydrophobicContact CG-CB 3.64Å; M140-A175 HydrophobicContact SD-CB 3.82Å; M140-V178 HydrophobicContact CE-CG1 4.06Å; M140-V178 HydrophobicContact SD-CB 4.28Å; M140-V178 HydrophobicContact SD-CG1 4.15Å; M140-M179 HydrophobicContact CB-CE 3.69Å; M140-M179 HydrophobicContact CG-CE 3.64Å; M140-M179 HydrophobicContact CG-CG 4.39Å; M140-M179 HydrophobicContact CG-SD 4Å; M140-M179 HydrophobicContact SD-CE 3.96Å; M140-M179 HydrophobicContact SD-CG 3.69Å; M140-M179 HydrophobicContact SD-SD 4.09Å
141F84.4Confident86.1Confident124 Ų12479.1 Ų79.154%0.54443%0.426SS..Hα-helixtrans-72.9-44.9175.4-179.3-94.1000112P137 E138 Q139 L143 M144 K145 M179P137-F141 WeakPolarHBondContact O-CB 3.46Å; P137-F141 PolarHBondContact O-N 3.34Å; E138-F141 PolarHBondContact O-N 2.9Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.07Å; F141-L143 VanDerWaalsContact C-N 3.29Å; F141-L143 PolarHBondContact O-N 2.9Å; F141-M144 PolarHBondContact O-N 2.69Å; F141-K145 HydrophobicContact CE1-CD 4.46Å; F141-K145 WeakPolarHBondContact O-CB 3.4Å; F141-K145 PolarHBondContact O-N 2.91Å; F141-M179 HydrophobicContact CB-CE 4.05Å
142E87.5Confident86.5Confident81 Ų8183.7 Ų83.738%0.37944%0.436SS..Hα-helixtrans-62.3-37.3174.9-71.8-62.5112.600111.5E138 K145 Q146E138-E142 PolarHBondContact O-N 2.97Å; E142-K145 PolarHBondContact O-N 3.43Å; E142-K145 WeakPolarHBondContact OE1-CD 3.38Å; E142-K145 WeakPolarHBondContact OE1-CE 3.35Å; E142-K145 IonicContact OE1-NZ 2.7Å; E142-K145 PolarHBondContact OE1-NZ 3.19Å; E142-K145 WeakPolarHBondContact OE2-CD 3.41Å; E142-K145 IonicContact OE2-NZ 2.81Å; E142-K145 PolarHBondContact OE2-NZ 2.91Å; E142-Q146 VanDerWaalsContact O-CB 3.3Å; E142-Q146 WeakPolarHBondContact O-CB 3.37Å; E142-Q146 PolarHBondContact O-N 2.92Å
143L87Confident87Confident54 Ų5488.7 Ų88.728%0.28346%0.463SS..Hα-helixtrans-57.7-48.5170.9177.565.1000112.1Q139 F141 Q146 M147 L172Q139-L143 WeakPolarHBondContact O-CB 3.35Å; Q139-L143 PolarHBondContact O-N 3.05Å; F141-L143 VanDerWaalsContact C-N 3.29Å; F141-L143 PolarHBondContact O-N 2.9Å; L143-Q146 PolarHBondContact O-N 3.1Å; L143-M147 WeakPolarHBondContact O-CB 3.39Å; L143-M147 PolarHBondContact O-N 3.42Å; L143-L172 HydrophobicContact CD1-CD2 3.96Å; L143-L172 HydrophobicContact CD2-CD2 4.01Å; L143-L172 HydrophobicContact CG-CD2 3.75Å
144M85.3Confident87.6Confident31 Ų3187.8 Ų87.815%0.15345%0.453CS..Hα-helixtrans-62.9-41.4177-74.6-64.7106.500112.7M140 F141 K148 L172 A175 Q176 M179M140-M144 WeakPolarHBondContact O-CG 3.17Å; M140-M144 PolarHBondContact O-N 3.08Å; M140-M144 VanDerWaalsContact O-N 3.16Å; F141-M144 PolarHBondContact O-N 2.69Å; M144-K148 WeakPolarHBondContact O-CB 3.46Å; M144-K148 PolarHBondContact O-N 3.45Å; M144-L172 HydrophobicContact CE-CB 4.02Å; M144-L172 HydrophobicContact CE-CD2 3.35Å; M144-L172 HydrophobicContact CE-CG 4.29Å; M144-A175 HydrophobicContact CE-CB 3.93Å; M144-Q176 HydrophobicContact CE-CG 4.42Å; M144-Q176 HydrophobicContact SD-CG 3.59Å; M144-Q176 VanDerWaalsContact SD-CG 3.59Å; M144-M179 HydrophobicContact CG-SD 4.16Å
145K88.1Confident87.8Confident107 Ų10786.5 Ų86.547%0.46544%0.442SS..Hα-helixtrans-64.8-45.3177.4173.9-166.4175.9-167.10111.6F141 E142 K148 L149F141-K145 HydrophobicContact CE1-CD 4.46Å; F141-K145 WeakPolarHBondContact O-CB 3.4Å; F141-K145 PolarHBondContact O-N 2.91Å; E142-K145 PolarHBondContact O-N 3.43Å; E142-K145 WeakPolarHBondContact OE1-CD 3.38Å; E142-K145 WeakPolarHBondContact OE1-CE 3.35Å; E142-K145 IonicContact OE1-NZ 2.7Å; E142-K145 PolarHBondContact OE1-NZ 3.19Å; E142-K145 WeakPolarHBondContact OE2-CD 3.41Å; E142-K145 IonicContact OE2-NZ 2.81Å; E142-K145 PolarHBondContact OE2-NZ 2.91Å; K145-K148 PolarHBondContact O-N 3.45Å; K145-L149 WeakPolarHBondContact O-CB 3.33Å; K145-L149 PolarHBondContact O-N 3.14Å
146Q89Confident88.2Confident142 Ų14290.8 Ų90.866%0.66446%0.46SS*.Hα-helixtrans-68.9-38.3179-168.5165.49.200111.7E142 L143 L149 C150E142-Q146 VanDerWaalsContact O-CB 3.3Å; E142-Q146 WeakPolarHBondContact O-CB 3.37Å; E142-Q146 PolarHBondContact O-N 2.92Å; L143-Q146 PolarHBondContact O-N 3.1Å; Q146-L149 PolarHBondContact O-N 3.09Å; Q146-C150 WeakPolarHBondContact O-CB 3.41Å; Q146-C150 PolarHBondContact O-N 3.22Å
147M88.4Confident88.2Confident28 Ų2893.8 Ų93.814%0.13847%0.469CS..Hα-helixtrans-61.9-45.4171.2-174.255.247.400111.9L143 L149 C150 V151 M161 L162 L168 L172L143-M147 WeakPolarHBondContact O-CB 3.39Å; L143-M147 PolarHBondContact O-N 3.42Å; M147-L149 VanDerWaalsContact C-N 3.34Å; M147-L149 PolarHBondContact O-N 3.39Å; M147-C150 PolarHBondContact O-N 3.16Å; M147-V151 WeakPolarHBondContact O-CG2 3.47Å; M147-V151 PolarHBondContact O-N 2.91Å; M147-M161 HydrophobicContact CE-CE 3.58Å; M147-M161 HydrophobicContact SD-CE 4.16Å; M147-L162 HydrophobicContact CE-CD2 4.44Å; M147-L162 HydrophobicContact SD-CD1 4.28Å; M147-L162 HydrophobicContact SD-CD2 4.23Å; M147-L168 HydrophobicContact CE-CD2 4.44Å; M147-L172 HydrophobicContact CB-CD2 4.19Å; M147-L172 HydrophobicContact CE-CD1 3.5Å; M147-L172 HydrophobicContact CE-CD2 4.16Å; M147-L172 HydrophobicContact CE-CG 4.48Å; M147-L172 HydrophobicContact CG-CD1 4.06Å; M147-L172 HydrophobicContact CG-CD2 4.16Å; M147-L172 HydrophobicContact SD-CD1 3.95Å
148K87.3Confident88.5Confident156 Ų15689.3 Ų89.368%0.67844%0.44SS*.Hα-helixtrans-60.9-41.6175.5-175.7177-66.6179.90112.1M144 K145 V151 Q152M144-K148 WeakPolarHBondContact O-CB 3.46Å; M144-K148 PolarHBondContact O-N 3.45Å; K145-K148 PolarHBondContact O-N 3.45Å; K148-V151 PolarHBondContact O-N 2.89Å; K148-Q152 WeakPolarHBondContact O-CB 3.26Å; K148-Q152 PolarHBondContact O-N 2.88Å
149L89.9Confident88.5Confident96 Ų9691.2 Ų91.250%0.50344%0.441SS..Hα-helixtrans-65.7-41.7176.6-173.966.3000111.8K145 Q146 M147 Q152 N153K145-L149 WeakPolarHBondContact O-CB 3.33Å; K145-L149 PolarHBondContact O-N 3.14Å; Q146-L149 PolarHBondContact O-N 3.09Å; M147-L149 VanDerWaalsContact C-N 3.34Å; M147-L149 PolarHBondContact O-N 3.39Å; L149-Q152 PolarHBondContact O-N 3.34Å; L149-N153 VanDerWaalsContact CD1-ND2 3.35Å; L149-N153 WeakPolarHBondContact CD1-ND2 3.41Å; L149-N153 PolarHBondContact O-N 3.3Å; L149-N153 PolarHBondContact O-ND2 3.16Å
150C87.9Confident88.5Confident35 Ų3589.4 Ų89.424%0.23644%0.435CS..Hα-helixtrans-59.9-48.1175-179.60000111.4Q146 M147 Q152 N153 S154Q146-C150 WeakPolarHBondContact O-CB 3.41Å; Q146-C150 PolarHBondContact O-N 3.22Å; M147-C150 PolarHBondContact O-N 3.16Å; C150-Q152 VanDerWaalsContact C-N 3.3Å; C150-Q152 PolarHBondContact O-N 3.4Å; C150-N153 PolarHBondContact O-N 3.17Å; C150-S154 CarbonylContact O-C 3.41Å; C150-S154 PolarHBondContact O-N 3.44Å
151V91.8Very high88.6Confident69 Ų6992 Ų9242%0.41845%0.448SS..Hα-helixtrans-62.1-35.8175.9173.50000112.2M147 K148 P155 A158M147-V151 WeakPolarHBondContact O-CG2 3.47Å; M147-V151 PolarHBondContact O-N 2.91Å; K148-V151 PolarHBondContact O-N 2.89Å; V151-P155 WeakPolarHBondContact O-CA 3.34Å; V151-P155 WeakPolarHBondContact O-CB 3.5Å; V151-P155 WeakPolarHBondContact O-CD 3.49Å; V151-A158 HydrophobicContact CB-CB 4.41Å; V151-A158 HydrophobicContact CG2-CB 3.7Å
152Q91.3Very high88.7Confident155 Ų15588.4 Ų88.472%0.72443%0.434SS*.Hα-helixtrans-74.2-33.7-179.4-175.1169.683.300113.5K148 L149 C150K148-Q152 WeakPolarHBondContact O-CB 3.26Å; K148-Q152 PolarHBondContact O-N 2.88Å; L149-Q152 PolarHBondContact O-N 3.34Å; C150-Q152 VanDerWaalsContact C-N 3.3Å; C150-Q152 PolarHBondContact O-N 3.4Å
153N93.4Very high88.6Confident114 Ų11490.9 Ų90.961%0.6145%0.449SS*.Hα-helixtrans-84.6-46.1176.9-73.7-89.9000112L149 C150L149-N153 VanDerWaalsContact CD1-ND2 3.35Å; L149-N153 WeakPolarHBondContact CD1-ND2 3.41Å; L149-N153 PolarHBondContact O-N 3.3Å; L149-N153 PolarHBondContact O-ND2 3.16Å; C150-N153 PolarHBondContact O-N 3.17Å
154S94.2Very high88.4Confident45 Ų4594.5 Ų94.532%0.31546%0.464SS..  trans-135.271.6-170.2-58.40000111.6C150 Q156 E157 A158C150-S154 CarbonylContact O-C 3.41Å; C150-S154 PolarHBondContact O-N 3.44Å; S154-Q156 VanDerWaalsContact C-N 3.3Å; S154-Q156 PolarHBondContact O-N 3.46Å; S154-E157 WeakPolarHBondContact CB-OE1 3.07Å; S154-E157 PolarHBondContact O-N 3.48Å; S154-E157 PolarHBondContact OG-OE1 3Å; S154-A158 WeakPolarHBondContact O-CB 3.46Å; S154-A158 PolarHBondContact O-N 3.49Å
155P90.2Very high88.4Confident73 Ų7394.9 Ų94.947%0.47447%0.467SS..Hα-helixtrans-63.6-30.3-173.623.4-33.9000114V151 R159V151-P155 WeakPolarHBondContact O-CA 3.34Å; V151-P155 WeakPolarHBondContact O-CB 3.5Å; V151-P155 WeakPolarHBondContact O-CD 3.49Å; P155-R159 VanDerWaalsContact O-CG 3.27Å; P155-R159 WeakPolarHBondContact O-CG 3.4Å; P155-R159 PolarHBondContact O-N 2.89Å
156Q90Very high88.1Confident163 Ų16394.1 Ų94.176%0.76247%0.473SS*.Hα-helixtrans-74.2-40.7176.7-64.7-172.23.600111.9S154 R159 N160S154-Q156 VanDerWaalsContact C-N 3.3Å; S154-Q156 PolarHBondContact O-N 3.46Å; Q156-R159 PolarHBondContact O-N 3.18Å; Q156-N160 PolarHBondContact O-N 3.18Å
157E87.6Confident87.9Confident127 Ų12791.8 Ų91.859%0.59346%0.462SS*.Hα-helixtrans-66.2-45.5176.9-171.8170.764.100111.2S154 R159 N160 M161S154-E157 WeakPolarHBondContact CB-OE1 3.07Å; S154-E157 PolarHBondContact O-N 3.48Å; S154-E157 PolarHBondContact OG-OE1 3Å; E157-R159 VanDerWaalsContact C-N 3.33Å; E157-R159 PolarHBondContact O-N 3.42Å; E157-N160 PolarHBondContact O-N 2.67Å; E157-N160 VanDerWaalsContact O-N 3.15Å; E157-M161 WeakPolarHBondContact O-CB 3.25Å; E157-M161 PolarHBondContact O-N 3.03Å
158A88.6Confident87.8Confident2 Ų292.9 Ų92.92%0.01747%0.468CS..Hα-helixtrans-58.1-43175.100000112V151 S154 M161 L162V151-A158 HydrophobicContact CB-CB 4.41Å; V151-A158 HydrophobicContact CG2-CB 3.7Å; S154-A158 WeakPolarHBondContact O-CB 3.46Å; S154-A158 PolarHBondContact O-N 3.49Å; A158-M161 PolarHBondContact O-N 3.36Å; A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 VanDerWaalsContact O-CG 3.22Å; A158-L162 WeakPolarHBondContact O-CG 3.37Å; A158-L162 PolarHBondContact O-N 3.22Å
159R86.5Confident87.7Confident189 Ų18987.2 Ų87.271%0.71345%0.45SS*.Hα-helixtrans-64.5-42.6175-72.5-179.488.4-178.97112P155 Q156 E157 L162 L163P155-R159 VanDerWaalsContact O-CG 3.27Å; P155-R159 WeakPolarHBondContact O-CG 3.4Å; P155-R159 PolarHBondContact O-N 2.89Å; Q156-R159 PolarHBondContact O-N 3.18Å; E157-R159 VanDerWaalsContact C-N 3.33Å; E157-R159 PolarHBondContact O-N 3.42Å; R159-L162 PolarHBondContact O-N 3.31Å; R159-L163 WeakPolarHBondContact O-CB 3.15Å; R159-L163 VanDerWaalsContact O-CG 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.44Å; R159-L163 PolarHBondContact O-N 3.42Å
160N87.1Confident87.5Confident81 Ų8186 Ų8643%0.43344%0.44SS..Hα-helixtrans-64.7-43.4176.7-177.364000111.8Q156 E157 L162 L163 Q164Q156-N160 PolarHBondContact O-N 3.18Å; E157-N160 PolarHBondContact O-N 2.67Å; E157-N160 VanDerWaalsContact O-N 3.15Å; N160-L162 PolarHBondContact O-N 2.96Å; N160-L163 PolarHBondContact O-N 3.31Å; N160-Q164 PolarHBondContact ND2-NE2 2.9Å; N160-Q164 WeakPolarHBondContact O-CB 3.42Å; N160-Q164 VanDerWaalsContact O-CG 3.32Å; N160-Q164 WeakPolarHBondContact O-CG 3.24Å; N160-Q164 PolarHBondContact O-N 2.98Å; N160-Q164 PolarHBondContact OD1-NE2 2.7Å
161M84.6Confident87.4Confident61 Ų6185.3 Ų85.330%0.344%0.436SS..Hα-helixtrans-59.4-44.5176.2-176.1-175.365.900111.9M147 E157 A158 Q164 N165 L168M147-M161 HydrophobicContact CE-CE 3.58Å; M147-M161 HydrophobicContact SD-CE 4.16Å; E157-M161 WeakPolarHBondContact O-CB 3.25Å; E157-M161 PolarHBondContact O-N 3.03Å; A158-M161 PolarHBondContact O-N 3.36Å; M161-Q164 PolarHBondContact O-N 3.03Å; M161-N165 WeakPolarHBondContact O-CB 3.49Å; M161-N165 PolarHBondContact O-N 3.39Å; M161-N165 PolarHBondContact O-ND2 3.42Å; M161-L168 HydrophobicContact CE-CD2 4.07Å; M161-L168 HydrophobicContact CG-CD2 4.37Å; M161-L168 HydrophobicContact SD-CD2 4.32Å
162L87.6Confident87.2Confident48 Ų4882.4 Ų82.425%0.25142%0.418SS..Hα-helixtrans-69.7-33.3178.1-68.9168.9000113.1M147 A158 R159 N160 N165 L168 A169 L172M147-L162 HydrophobicContact CE-CD2 4.44Å; M147-L162 HydrophobicContact SD-CD1 4.28Å; M147-L162 HydrophobicContact SD-CD2 4.23Å; A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 VanDerWaalsContact O-CG 3.22Å; A158-L162 WeakPolarHBondContact O-CG 3.37Å; A158-L162 PolarHBondContact O-N 3.22Å; R159-L162 PolarHBondContact O-N 3.31Å; N160-L162 PolarHBondContact O-N 2.96Å; L162-N165 CarbonylContact O-C 3.5Å; L162-L168 HydrophobicContact CD2-CD2 4.48Å; L162-L168 HydrophobicContact CD2-CG 4.36Å; L162-A169 HydrophobicContact CD2-CB 4.17Å; L162-L172 HydrophobicContact CD2-CD1 3.45Å; L162-L172 VanDerWaalsContact CD2-CD1 3.45Å
163L85.1Confident87Confident133 Ų13376.1 Ų76.170%0.69639%0.389SS*.Hα-helixtrans-71.4-38173.8-75.5167.2000112.3R159 N160 N165R159-L163 WeakPolarHBondContact O-CB 3.15Å; R159-L163 VanDerWaalsContact O-CG 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.44Å; R159-L163 PolarHBondContact O-N 3.42Å; N160-L163 PolarHBondContact O-N 3.31Å; L163-N165 VanDerWaalsContact C-N 3.35Å
164Q83.4Confident86.5Confident130 Ų13072.5 Ų72.561%0.60737%0.369SS*.Hα-helixtrans-75.2-23.8176.7-69.4-175.88.400112.8N160 M161 P166N160-Q164 PolarHBondContact ND2-NE2 2.9Å; N160-Q164 WeakPolarHBondContact O-CB 3.42Å; N160-Q164 VanDerWaalsContact O-CG 3.32Å; N160-Q164 WeakPolarHBondContact O-CG 3.24Å; N160-Q164 PolarHBondContact O-N 2.98Å; N160-Q164 PolarHBondContact OD1-NE2 2.7Å; M161-Q164 PolarHBondContact O-N 3.03Å; Q164-P166 WeakPolarHBondContact O-CD 3.39Å
165N83.4Confident86.1Confident38 Ų3870.4 Ų70.420%0.20335%0.354CS..  trans-12375.5-177.1-63-86000111.4M161 L162 L163 Q167 L168 A169M161-N165 WeakPolarHBondContact O-CB 3.49Å; M161-N165 PolarHBondContact O-N 3.39Å; M161-N165 PolarHBondContact O-ND2 3.42Å; L162-N165 CarbonylContact O-C 3.5Å; L163-N165 VanDerWaalsContact C-N 3.35Å; N165-Q167 PolarHBondContact O-N 3.45Å; N165-L168 HydrophobicContact CB-CB 3.85Å; N165-L168 HydrophobicContact CB-CD2 4.46Å; N165-L168 WeakPolarHBondContact O-CB 3.32Å; N165-L168 PolarHBondContact O-N 3.17Å; N165-A169 PolarHBondContact O-N 3.02Å; N165-A169 VanDerWaalsContact O-N 3.17Å
166P83.2Confident85.8Confident91 Ų9169.6 Ų69.659%0.59134%0.344SS*.Hα-helixtrans-60.8-33.6-178.124.1-34.1000112.8Q164 L168 A169 Y170Q164-P166 WeakPolarHBondContact O-CD 3.39Å; P166-L168 VanDerWaalsContact C-N 3.34Å; P166-L168 PolarHBondContact O-N 3.48Å; P166-A169 PolarHBondContact O-N 3.24Å; P166-Y170 PolarHBondContact O-N 3.25Å
167Q83.9Confident85.5Confident94 Ų9463.1 Ų63.144%0.43932%0.315SS..Hα-helixtrans-58.6-39.8172.660.5-155.6-2400113.4N165 Y170 A171N165-Q167 PolarHBondContact O-N 3.45Å; Q167-Y170 PolarHBondContact O-N 3.15Å; Q167-A171 WeakPolarHBondContact O-CB 3.34Å; Q167-A171 PolarHBondContact O-N 2.95Å
168L86.1Confident85.3Confident51 Ų5160.1 Ų60.127%0.26731%0.306SS..Hα-helixtrans-68.6-44.3174.9174.861.9000110.4M147 M161 L162 N165 P166 Y170 A171 L172M147-L168 HydrophobicContact CE-CD2 4.44Å; M161-L168 HydrophobicContact CE-CD2 4.07Å; M161-L168 HydrophobicContact CG-CD2 4.37Å; M161-L168 HydrophobicContact SD-CD2 4.32Å; L162-L168 HydrophobicContact CD2-CD2 4.48Å; L162-L168 HydrophobicContact CD2-CG 4.36Å; N165-L168 HydrophobicContact CB-CB 3.85Å; N165-L168 HydrophobicContact CB-CD2 4.46Å; N165-L168 WeakPolarHBondContact O-CB 3.32Å; N165-L168 PolarHBondContact O-N 3.17Å; P166-L168 VanDerWaalsContact C-N 3.34Å; P166-L168 PolarHBondContact O-N 3.48Å; L168-Y170 VanDerWaalsContact C-N 3.3Å; L168-Y170 PolarHBondContact O-N 3.07Å; L168-A171 PolarHBondContact O-N 3.07Å; L168-L172 HydrophobicContact CD1-CD1 3.92Å; L168-L172 HydrophobicContact CD1-CG 4.04Å; L168-L172 HydrophobicContact CG-CD1 3.81Å; L168-L172 HydrophobicContact CG-CG 4.4Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 WeakPolarHBondContact O-CD1 3.22Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 2.94Å
169A85.6Confident85Confident37 Ų3762.5 Ų62.531%0.30632%0.317SS..Hα-helixtrans-59.4-40.617600000112.3L162 N165 P166 L173L162-A169 HydrophobicContact CD2-CB 4.17Å; N165-A169 PolarHBondContact O-N 3.02Å; N165-A169 VanDerWaalsContact O-N 3.17Å; P166-A169 PolarHBondContact O-N 3.24Å; A169-L173 PolarHBondContact O-N 2.86Å; A169-L173 VanDerWaalsContact O-N 3.07Å
170Y85.7Confident84.7Confident71 Ų7163.8 Ų63.828%0.27832%0.322SS..Hα-helixtrans-66.3-46.2176-162-93.3000112P125 I128 P166 Q167 L168 L172 L173 Q174 L191P125-Y170 HydrophobicContact CB-CE1 3.94Å; P125-Y170 WeakPolarHBondContact CB-OH 3.31Å; I128-Y170 HydrophobicContact CB-CD1 4.22Å; I128-Y170 HydrophobicContact CD1-CD1 4.02Å; I128-Y170 HydrophobicContact CG2-CD1 3.9Å; P166-Y170 PolarHBondContact O-N 3.25Å; Q167-Y170 PolarHBondContact O-N 3.15Å; L168-Y170 VanDerWaalsContact C-N 3.3Å; L168-Y170 PolarHBondContact O-N 3.07Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; Y170-L172 PolarHBondContact O-N 3.47Å; Y170-L173 PolarHBondContact O-N 3.05Å; Y170-Q174 WeakPolarHBondContact O-CB 3.39Å; Y170-Q174 PolarHBondContact O-N 3.33Å; Y170-L191 HydrophobicContact CD2-CD1 4.45Å; Y170-L191 HydrophobicContact CD2-CD2 3.69Å; Y170-L191 HydrophobicContact CE2-CD1 3.75Å; Y170-L191 HydrophobicContact CE2-CD2 3.74Å; Y170-L191 HydrophobicContact CE2-CG 4.42Å
171A86.4Confident84.4Confident19 Ų1965 Ų6516%0.15733%0.328CS..Hα-helixtrans-60.4-39.7176.300000112.8I128 V132 Q167 L168 Q174 A175I128-A171 HydrophobicContact CG2-CB 3.82Å; V132-A171 HydrophobicContact CG2-CB 3.96Å; Q167-A171 WeakPolarHBondContact O-CB 3.34Å; Q167-A171 PolarHBondContact O-N 2.95Å; L168-A171 PolarHBondContact O-N 3.07Å; A171-Q174 PolarHBondContact O-N 2.94Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.18Å
172L87.5Confident84.2Confident8 Ų863.5 Ų63.54%0.04232%0.322CS..Hα-helixtrans-68.2-36.2176.6-67.8163.4000112.6L143 M144 M147 L162 L168 Y170 Q176L143-L172 HydrophobicContact CD1-CD2 3.96Å; L143-L172 HydrophobicContact CD2-CD2 4.01Å; L143-L172 HydrophobicContact CG-CD2 3.75Å; M144-L172 HydrophobicContact CE-CB 4.02Å; M144-L172 HydrophobicContact CE-CD2 3.35Å; M144-L172 HydrophobicContact CE-CG 4.29Å; M147-L172 HydrophobicContact CB-CD2 4.19Å; M147-L172 HydrophobicContact CE-CD1 3.5Å; M147-L172 HydrophobicContact CE-CD2 4.16Å; M147-L172 HydrophobicContact CE-CG 4.48Å; M147-L172 HydrophobicContact CG-CD1 4.06Å; M147-L172 HydrophobicContact CG-CD2 4.16Å; M147-L172 HydrophobicContact SD-CD1 3.95Å; L162-L172 HydrophobicContact CD2-CD1 3.45Å; L162-L172 VanDerWaalsContact CD2-CD1 3.45Å; L168-L172 HydrophobicContact CD1-CD1 3.92Å; L168-L172 HydrophobicContact CD1-CG 4.04Å; L168-L172 HydrophobicContact CG-CD1 3.81Å; L168-L172 HydrophobicContact CG-CG 4.4Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 WeakPolarHBondContact O-CD1 3.22Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 2.94Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; Y170-L172 PolarHBondContact O-N 3.47Å; L172-Q176 WeakPolarHBondContact O-CG 3.26Å; L172-Q176 PolarHBondContact O-N 3.44Å; L172-Q176 PolarHBondContact O-NE2 2.97Å
173L86.1Confident83.9Confident23 Ų2365.1 Ų65.112%0.1233%0.33CS..Hα-helixtrans-69-44.4173.9-178.762.1000110.9A169 Y170 A175 Q176 V177 A187 L191A169-L173 PolarHBondContact O-N 2.86Å; A169-L173 VanDerWaalsContact O-N 3.07Å; Y170-L173 PolarHBondContact O-N 3.05Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-A175 PolarHBondContact O-N 3.4Å; L173-Q176 WeakPolarHBondContact O-CB 3.44Å; L173-Q176 PolarHBondContact O-N 2.96Å; L173-Q176 VanDerWaalsContact O-N 3.14Å; L173-V177 PolarHBondContact O-N 3.47Å; L173-V177 VanDerWaalsContact O-N 3.09Å; L173-A187 HydrophobicContact CD1-CB 3.96Å; L173-A187 HydrophobicContact CD2-CB 4.17Å; L173-A187 HydrophobicContact CG-CB 4.13Å; L173-L191 HydrophobicContact CD2-CD1 3.9Å; L173-L191 HydrophobicContact CD2-CD2 3.86Å; L173-L191 HydrophobicContact CD2-CG 3.68Å
174Q84Confident83.2Confident39 Ų3961.6 Ų61.618%0.18232%0.315CS..Hα-helixtrans-59.3-43.9176.6-176.362.216.300111.7S129 V132 Y170 A171 Q176 V177 V178S129-Q174 PolarHBondContact OG-NE2 2.85Å; V132-Q174 HydrophobicContact CB-CG 4.16Å; V132-Q174 HydrophobicContact CG1-CB 4.48Å; V132-Q174 HydrophobicContact CG1-CG 4.13Å; Y170-Q174 WeakPolarHBondContact O-CB 3.39Å; Y170-Q174 PolarHBondContact O-N 3.33Å; A171-Q174 PolarHBondContact O-N 2.94Å; Q174-Q176 VanDerWaalsContact C-N 3.32Å; Q174-Q176 PolarHBondContact O-N 2.82Å; Q174-V177 PolarHBondContact O-N 2.99Å; Q174-V177 VanDerWaalsContact O-N 3.16Å; Q174-V178 WeakPolarHBondContact O-CG2 3.41Å; Q174-V178 PolarHBondContact O-N 2.93Å
175A85.1Confident82.8Confident0 Ų061.1 Ų61.10%031%0.313CS..Hα-helixtrans-56.9-43.2174.300000112.2V132 M140 M144 A171 L173 V177 V178 M179V132-A175 HydrophobicContact CG1-CB 3.99Å; M140-A175 HydrophobicContact CG-CB 3.64Å; M140-A175 HydrophobicContact SD-CB 3.82Å; M144-A175 HydrophobicContact CE-CB 3.93Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.18Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-A175 PolarHBondContact O-N 3.4Å; A175-V177 VanDerWaalsContact C-N 3.34Å; A175-V177 PolarHBondContact O-N 2.98Å; A175-V178 PolarHBondContact O-N 3.41Å; A175-M179 WeakPolarHBondContact O-CB 3.36Å; A175-M179 VanDerWaalsContact O-CG 3.26Å; A175-M179 WeakPolarHBondContact O-CG 3.4Å; A175-M179 PolarHBondContact O-N 3.36Å
176Q84.1Confident82.4Confident57 Ų5763.8 Ų63.827%0.26633%0.327SS..Hα-helixtrans-65.5-34.2177.2-71.9166.27800113.2M144 L172 L173 Q174 R180 I181 V182M144-Q176 HydrophobicContact CE-CG 4.42Å; M144-Q176 HydrophobicContact SD-CG 3.59Å; M144-Q176 VanDerWaalsContact SD-CG 3.59Å; L172-Q176 WeakPolarHBondContact O-CG 3.26Å; L172-Q176 PolarHBondContact O-N 3.44Å; L172-Q176 PolarHBondContact O-NE2 2.97Å; L173-Q176 WeakPolarHBondContact O-CB 3.44Å; L173-Q176 PolarHBondContact O-N 2.96Å; L173-Q176 VanDerWaalsContact O-N 3.14Å; Q174-Q176 VanDerWaalsContact C-N 3.32Å; Q174-Q176 PolarHBondContact O-N 2.82Å; Q176-R180 PolarHBondContact O-N 2.98Å; Q176-I181 HydrophobicContact CB-CB 4.4Å; Q176-I181 PolarHBondContact O-N 3.46Å; Q176-V182 HydrophobicContact CB-CB 4.13Å; Q176-V182 HydrophobicContact CB-CG2 3.84Å; Q176-V182 HydrophobicContact CG-CG2 4.5Å; Q176-V182 PolarHBondContact O-N 2.89Å
177V84.9Confident81.7Confident26 Ų2659.8 Ų59.816%0.15830%0.301CS..Hα-helixtrans-71.6-45.4175.3175.20000111L173 Q174 A175 M179 R180 P184 A187L173-V177 PolarHBondContact O-N 3.47Å; L173-V177 VanDerWaalsContact O-N 3.09Å; Q174-V177 PolarHBondContact O-N 2.99Å; Q174-V177 VanDerWaalsContact O-N 3.16Å; A175-V177 VanDerWaalsContact C-N 3.34Å; A175-V177 PolarHBondContact O-N 2.98Å; V177-M179 VanDerWaalsContact C-N 3.29Å; V177-M179 PolarHBondContact O-N 3.45Å; V177-R180 PolarHBondContact O-N 3.29Å; V177-P184 HydrophobicContact CG1-CB 4.08Å; V177-A187 HydrophobicContact CG2-CB 3.62Å
178V83.1Confident81Confident64 Ų6459.7 Ų59.739%0.38830%0.303SS..Hα-helixtrans-59.4-41.1175.8172.10000111M140 Q174 A175 R180M140-V178 HydrophobicContact CE-CG1 4.06Å; M140-V178 HydrophobicContact SD-CB 4.28Å; M140-V178 HydrophobicContact SD-CG1 4.15Å; Q174-V178 WeakPolarHBondContact O-CG2 3.41Å; Q174-V178 PolarHBondContact O-N 2.93Å; A175-V178 PolarHBondContact O-N 3.41Å; V178-R180 PolarHBondContact O-N 3.02Å
179M81.9Confident80.2Confident53 Ų5363.5 Ų63.526%0.26132%0.317SS..THydrogen-bonded Turntrans-74.90175.7-70.1-176.614700115M140 F141 M144 A175 V177 I181M140-M179 HydrophobicContact CB-CE 3.69Å; M140-M179 HydrophobicContact CG-CE 3.64Å; M140-M179 HydrophobicContact CG-CG 4.39Å; M140-M179 HydrophobicContact CG-SD 4Å; M140-M179 HydrophobicContact SD-CE 3.96Å; M140-M179 HydrophobicContact SD-CG 3.69Å; M140-M179 HydrophobicContact SD-SD 4.09Å; F141-M179 HydrophobicContact CB-CE 4.05Å; M144-M179 HydrophobicContact CG-SD 4.16Å; A175-M179 WeakPolarHBondContact O-CB 3.36Å; A175-M179 VanDerWaalsContact O-CG 3.26Å; A175-M179 WeakPolarHBondContact O-CG 3.4Å; A175-M179 PolarHBondContact O-N 3.36Å; V177-M179 VanDerWaalsContact C-N 3.29Å; V177-M179 PolarHBondContact O-N 3.45Å; M179-I181 HydrophobicContact CB-CD1 3.68Å; M179-I181 HydrophobicContact CB-CG1 3.77Å; M179-I181 HydrophobicContact CG-CD1 4.42Å; M179-I181 PolarHBondContact O-N 3.35Å; M179-I181 VanDerWaalsContact O-N 3.17Å; M179-I181 HydrophobicContact SD-CD1 3.9Å
180R80.6Confident79.3Confident215 Ų21566.5 Ų66.581%0.81133%0.328SS*.THydrogen-bonded Turntrans56.425.2-174.8-56.7-63.9-174.1138.9-1.9114.2Q176 V177 V178Q176-R180 PolarHBondContact O-N 2.98Å; V177-R180 PolarHBondContact O-N 3.29Å; V178-R180 PolarHBondContact O-N 3.02Å
181I81.1Confident78.3Confident108 Ų10866.6 Ų66.655%0.55433%0.332SS*.SBendtrans-79.9-34.8174.4-61170.1000110.1Q176 M179Q176-I181 HydrophobicContact CB-CB 4.4Å; Q176-I181 PolarHBondContact O-N 3.46Å; M179-I181 HydrophobicContact CB-CD1 3.68Å; M179-I181 HydrophobicContact CB-CG1 3.77Å; M179-I181 HydrophobicContact CG-CD1 4.42Å; M179-I181 PolarHBondContact O-N 3.35Å; M179-I181 VanDerWaalsContact O-N 3.17Å; M179-I181 HydrophobicContact SD-CD1 3.9Å
182V79.3Confident76.9Confident29 Ų2972.9 Ų72.918%0.17636%0.358CS..SBendtrans-122.7134.9177.5174.90000109Q176 I186 A187Q176-V182 HydrophobicContact CB-CB 4.13Å; Q176-V182 HydrophobicContact CB-CG2 3.84Å; Q176-V182 HydrophobicContact CG-CG2 4.5Å; Q176-V182 PolarHBondContact O-N 2.89Å; V182-I186 HydrophobicContact CG1-CB 4.38Å; V182-I186 HydrophobicContact CG1-CG2 4.44Å; V182-A187 HydrophobicContact CG1-CB 4.26Å
183D80.8Confident75.3Confident81 Ų8182.3 Ų82.343%0.43339%0.393SS..  trans-70.2135.2176.2-168.8-79000111E185 I186 A187D183-E185 PolarHBondContact O-N 3.2Å; D183-E185 WeakPolarHBondContact OD1-CB 3.43Å; D183-E185 PolarHBondContact OD1-N 2.9Å; D183-I186 HydrophobicContact CB-CB 4.43Å; D183-I186 HydrophobicContact CB-CD1 3.93Å; D183-I186 HydrophobicContact CB-CG1 4.07Å; D183-I186 WeakPolarHBondContact O-CB 3.32Å; D183-I186 PolarHBondContact O-N 3.2Å; D183-A187 PolarHBondContact O-N 2.84Å
184P72.1Confident72.9Confident59 Ų5990.3 Ų90.338%0.38343%0.43SS..Hα-helixtrans-57.1-32.1-178.922.8-35000113.5V177 I186 A187 L188V177-P184 HydrophobicContact CG1-CB 4.08Å; P184-I186 VanDerWaalsContact C-N 3.31Å; P184-I186 PolarHBondContact O-N 3Å; P184-A187 PolarHBondContact O-N 3.34Å; P184-L188 WeakPolarHBondContact O-CG 3.39Å; P184-L188 PolarHBondContact O-N 2.88Å; P184-L188 VanDerWaalsContact O-N 3.1Å
185E73.3Confident70.9Confident120 Ų12093.9 Ų93.956%0.56146%0.455SS*.Hα-helixtrans-66.8-33.4175.2-76.3-156.660.100112.9D183 K189D183-E185 PolarHBondContact O-N 3.2Å; D183-E185 WeakPolarHBondContact OD1-CB 3.43Å; D183-E185 PolarHBondContact OD1-N 2.9Å; E185-K189 VanDerWaalsContact O-CD 3.24Å; E185-K189 WeakPolarHBondContact O-CD 3.47Å; E185-K189 VanDerWaalsContact O-CG 3.25Å; E185-K189 WeakPolarHBondContact O-CG 3.35Å; E185-K189 PolarHBondContact O-N 3.12Å; E185-K189 IonicContact OE1-NZ 3.2Å; E185-K189 PolarHBondContact OE1-NZ 3.1Å
186I75.8Confident68.5Low95 Ų95101.2 Ų101.249%0.48749%0.494SS..Hα-helixtrans-74.7-40.5178.2-61.1175.6000109.5V182 D183 P184 L188 K189 I190V182-I186 HydrophobicContact CG1-CB 4.38Å; V182-I186 HydrophobicContact CG1-CG2 4.44Å; D183-I186 HydrophobicContact CB-CB 4.43Å; D183-I186 HydrophobicContact CB-CD1 3.93Å; D183-I186 HydrophobicContact CB-CG1 4.07Å; D183-I186 WeakPolarHBondContact O-CB 3.32Å; D183-I186 PolarHBondContact O-N 3.2Å; P184-I186 VanDerWaalsContact C-N 3.31Å; P184-I186 PolarHBondContact O-N 3Å; I186-L188 PolarHBondContact O-N 3.41Å; I186-K189 PolarHBondContact O-N 2.78Å; I186-I190 HydrophobicContact CG2-CD1 4.1Å; I186-I190 WeakPolarHBondContact O-CG1 3.32Å; I186-I190 PolarHBondContact O-N 3.18Å; I186-I190 VanDerWaalsContact O-N 3.07Å
187A69Low66.5Low6 Ų6104.1 Ų104.15%0.0551%0.51CS..Hα-helixtrans-58.7-45.6175.400000112.3L173 V177 V182 D183 P184 K189 I190 L191L173-A187 HydrophobicContact CD1-CB 3.96Å; L173-A187 HydrophobicContact CD2-CB 4.17Å; L173-A187 HydrophobicContact CG-CB 4.13Å; V177-A187 HydrophobicContact CG2-CB 3.62Å; V182-A187 HydrophobicContact CG1-CB 4.26Å; D183-A187 PolarHBondContact O-N 2.84Å; P184-A187 PolarHBondContact O-N 3.34Å; A187-K189 VanDerWaalsContact C-N 3.34Å; A187-K189 PolarHBondContact O-N 3.43Å; A187-I190 WeakPolarHBondContact O-CB 3.41Å; A187-I190 PolarHBondContact O-N 3.23Å; A187-I190 VanDerWaalsContact O-N 3.15Å; A187-L191 WeakPolarHBondContact O-CG 3.43Å; A187-L191 PolarHBondContact O-N 3.39Å
188L69.4Low64Low93 Ų93108.3 Ų108.349%0.48754%0.538SS..Hα-helixtrans-61.9-38.4175.8-71.6168.2000112.7P184 I186 I190 L191 H192P184-L188 WeakPolarHBondContact O-CG 3.39Å; P184-L188 PolarHBondContact O-N 2.88Å; P184-L188 VanDerWaalsContact O-N 3.1Å; I186-L188 PolarHBondContact O-N 3.41Å; L188-I190 VanDerWaalsContact C-N 3.28Å; L188-I190 PolarHBondContact O-N 3.22Å; L188-L191 PolarHBondContact O-N 3.18Å; L188-H192 PolarHBondContact O-N 3.28Å
189K68.4Low61.6Low130 Ų130110.8 Ų110.857%0.56555%0.553SS**Hα-helixtrans-68.2-25.6176.4-71161.8-168.2153.80112.8E185 I186 A187E185-K189 VanDerWaalsContact O-CD 3.24Å; E185-K189 WeakPolarHBondContact O-CD 3.47Å; E185-K189 VanDerWaalsContact O-CG 3.25Å; E185-K189 WeakPolarHBondContact O-CG 3.35Å; E185-K189 PolarHBondContact O-N 3.12Å; E185-K189 IonicContact OE1-NZ 3.2Å; E185-K189 PolarHBondContact OE1-NZ 3.1Å; I186-K189 PolarHBondContact O-N 2.78Å; A187-K189 VanDerWaalsContact C-N 3.34Å; A187-K189 PolarHBondContact O-N 3.43Å
190I67.3Low59.6Low101 Ų101116.9 Ų116.952%0.51859%0.586SS.*Hα-helixtrans-76.9-44.2173-67.6164.3000110.6I186 A187 L188 R193I186-I190 HydrophobicContact CG2-CD1 4.1Å; I186-I190 WeakPolarHBondContact O-CG1 3.32Å; I186-I190 PolarHBondContact O-N 3.18Å; I186-I190 VanDerWaalsContact O-N 3.07Å; A187-I190 WeakPolarHBondContact O-CB 3.41Å; A187-I190 PolarHBondContact O-N 3.23Å; A187-I190 VanDerWaalsContact O-N 3.15Å; L188-I190 VanDerWaalsContact C-N 3.28Å; L188-I190 PolarHBondContact O-N 3.22Å; I190-R193 PolarHBondContact O-N 2.99Å
191L64.8Low57.7Low73 Ų73113.2 Ų113.238%0.38258%0.581SS.*Hα-helixtrans-66.7-38.7-179-71.4167000113.4Y170 L173 A187 L188 R193Y170-L191 HydrophobicContact CD2-CD1 4.45Å; Y170-L191 HydrophobicContact CD2-CD2 3.69Å; Y170-L191 HydrophobicContact CE2-CD1 3.75Å; Y170-L191 HydrophobicContact CE2-CD2 3.74Å; Y170-L191 HydrophobicContact CE2-CG 4.42Å; L173-L191 HydrophobicContact CD2-CD1 3.9Å; L173-L191 HydrophobicContact CD2-CD2 3.86Å; L173-L191 HydrophobicContact CD2-CG 3.68Å; A187-L191 WeakPolarHBondContact O-CG 3.43Å; A187-L191 PolarHBondContact O-N 3.39Å; L188-L191 PolarHBondContact O-N 3.18Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 2.89Å
192H57.3Low55.5Low151 Ų151114 Ų11470%0.69960%0.596SS**THydrogen-bonded Turntrans-85.77-178.8-62.2161.9000114.2L188 Q194L188-H192 PolarHBondContact O-N 3.28Å; H192-Q194 PolarHBondContact O-N 3.33Å
193R52.1Low53.2Low205 Ų205116 Ų11677%0.77462%0.623SS**SBendtrans-80.785.4177.4-148.6175.7-164.7-173.44110.3I190 L191 T195I190-R193 PolarHBondContact O-N 2.99Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 2.89Å; R193-T195 PolarHBondContact O-N 3.45Å; R193-T195 PolarHBondContact O-OG1 2.9Å
194Q37Very low51.1Low192 Ų192117.8 Ų117.890%0.89763%0.632SS**  trans-42.4100.5-176-168.4173.679.900112.8H192H192-Q194 PolarHBondContact O-N 3.33Å
195T42Very low49.4Very low114 Ų114120.7 Ų120.770%0.69965%0.651SS**  trans-92.4106.3178.1-63.80000108.5R193 I197R193-T195 PolarHBondContact O-N 3.45Å; R193-T195 PolarHBondContact O-OG1 2.9Å; T195-I197 HydrophobicContact CG2-CD1 4.24Å; T195-I197 HydrophobicContact CG2-CG1 3.83Å; T195-I197 PolarHBondContact O-N 3.26Å
196N34.8Very low47.4Very low154 Ų154123.1 Ų123.182%0.82466%0.662SS**  trans-79.9108.3178.5-167.717.7000109.7
197I41.9Very low45.6Very low118 Ų118124.3 Ų124.361%0.60568%0.676SS**  trans-110.8119.8179-48.5178.8000108.6T195 T199T195-I197 HydrophobicContact CG2-CD1 4.24Å; T195-I197 HydrophobicContact CG2-CG1 3.83Å; T195-I197 PolarHBondContact O-N 3.26Å; I197-T199 PolarHBondContact O-N 2.92Å
198P32.7Very low43.9Very low114 Ų114131 Ų13174%0.7472%0.716SS**  trans-66.7116.3172.9-18.832000111L200P198-L200 PolarHBondContact O-N 3.47Å
199T31.9Very low42.4Very low115 Ų115135 Ų13571%0.70673%0.732SS**  trans-72.5121.1172.630.30000111.1I197 I201I197-T199 PolarHBondContact O-N 2.92Å; T199-I201 PolarHBondContact O-N 3.44Å
200L40.2Very low40.8Very low181 Ų181135.3 Ų135.395%0.94875%0.745SS**  trans-78102.1166.6-66.6177000108.9P198P198-L200 PolarHBondContact O-N 3.47Å
201I39.9Very low39.5Very low139 Ų139136.1 Ų136.171%0.71376%0.756SS**  trans-91.4131.2-179.2-63.2165.5000109.8T199T199-I201 PolarHBondContact O-N 3.44Å
202S35.2Very low37.8Very low123 Ų123136.1 Ų136.186%0.8677%0.774SS**  trans-125.7130.6165.4-174.90000109.6
203G31.1Very low37.2Very low72 Ų72135.3 Ų135.374%0.74278%0.782SS**  trans81.495.9169.800000116
204N36.2Very low36.3Very low118 Ų118128.9 Ų128.963%0.63178%0.779SS**  trans-124117.8175.4179.7102.1000111.5Q206N204-Q206 VanDerWaalsContact ND2-CG 3.34Å; N204-Q206 WeakPolarHBondContact ND2-CG 3.2Å; N204-Q206 PolarHBondContact ND2-N 3.3Å
205P37.1Very low36.2Very low121 Ų121125.9 Ų125.979%0.78678%0.779SS**PPolyproline II helixtrans-93.8129.2153.530.5-22000110.3
206Q31.4Very low35.8Very low170 Ų170124.1 Ų124.179%0.79478%0.784SS**PPolyproline II helixtrans-79.4142-171.6-65.2179.6-37.600113.1N204N204-Q206 VanDerWaalsContact ND2-CG 3.34Å; N204-Q206 WeakPolarHBondContact ND2-CG 3.2Å; N204-Q206 PolarHBondContact ND2-N 3.3Å
207P37.6Very low36.5Very low121 Ų121123 Ų12379%0.78679%0.785SS**PPolyproline II helixtrans-76.9129.9161.531-31.1000110.7
208V33.3Very low36Very low146 Ų146125.1 Ų125.189%0.88580%0.798SS**PPolyproline II helixtrans-68.4134.7174.1-80.50000111.6
209H37.8Very low36.2Very low178 Ų178125.6 Ų125.682%0.82480%0.798SS**  trans-123.9124.7170.3-146.4107.6000109.3
210V36Very low36.3Very low136 Ų136125.3 Ų125.382%0.82480%0.801SS**  trans-104.7128.1177.7-73.70000110.4
211P38.1Very low35.8Very low118 Ų118124.5 Ų124.577%0.76679%0.794SS**  trans-117.9138.5160.86.715.2000112.3
212G31Very low35.5Very low73 Ų73123.4 Ų123.475%0.75379%0.79SS**  trans-80.2175.3172.100000114.1
213P44.3Very low35.5Very low134 Ų134124.2 Ų124.287%0.8778%0.78SS**  trans-109.8157.9-153.839.3-34.4000117.3
214G33.4Very low35.7Very low69 Ų69128.5 Ų128.571%0.71178%0.781SS**  trans92.1146.1160.800000116
215S34.5Very low35.6Very low129 Ų129129 Ų12990%0.90278%0.783SS**  cis-165154.22.5-68.30000111.1
216G33.4Very low36.2Very low77 Ų77129 Ų12979%0.79478%0.784SS**  trans106127.6154.500000118.3
217P49Very low36.1Very low130 Ų130129.8 Ų129.884%0.84479%0.787SS**  trans-110.1158.4-179.639.7-32.5000115
218N32.6Very low36.1Very low164 Ų164128.4 Ų128.488%0.87779%0.786SS**  trans-154.3166.1151.1-146.8-21.3000111.7
219V36.7Very low36.5Very low123 Ų123127.5 Ų127.575%0.74578%0.783SS**  trans-121.4170.9-153.5-137.80000113.8
220S32.7Very low36.5Very low109 Ų109128.7 Ų128.776%0.76279%0.789SS**  trans82146.9159.9-65.10000118.8
221M31.4Very low36.4Very low164 Ų164126.4 Ų126.481%0.80878%0.784SS**  cis-170.7167.5-15.4-177.4162.4-176.500110.3
222N31.8Very low36.2Very low116 Ų116130.2 Ų130.262%0.6279%0.792SS**  trans79.8142.3163.2-107.232.4000118.1
223Q36Very low36.3Very low140 Ų140132.1 Ų132.165%0.65479%0.794SS**  cis143.6143.63171.5168.289.300105.2
224Q34.7Very low35.8Very low163 Ų163134.2 Ų134.276%0.76280%0.797SS**  cis-153.3163.97.8-141.9151.3-6.500110.8
225N34.8Very low35.6Very low127 Ų127134.6 Ų134.668%0.67980%0.801SS**  trans-118.7139.8164.6176.185.5000109.5
226P48.8Very low35.4Very low122 Ų122131.9 Ų131.979%0.79279%0.794SS**  trans-98.4143.4167.2-0.321.2000112.7
227Q30Very low35.5Very low187 Ų187135.7 Ų135.787%0.87479%0.793SS**  trans-119163.7-179.6-157.1170.5-27.600110.5
228A37.1Very low35Very low92 Ų92136.4 Ų136.476%0.7678%0.784SS**  trans-70.5160.6-171.400000115.3
229P43.4Very low35.3Very low127 Ų127134.2 Ų134.283%0.82578%0.776SS**  trans-96.5150.3170.235.6-31.3000114.2
230Q35.9Very low35.1Very low202 Ų202135.9 Ų135.994%0.94478%0.781SS**  trans-125.6151169.3-70.4-173.9-77.800111.4
231A34.3Very low35Very low88 Ų88134 Ų13473%0.72778%0.779SS**  trans-169.2154.5158.400000108.5
232Q33.6Very low35.4Very low198 Ų198131 Ų13193%0.92578%0.781SS**  cis-158.7175.3-15.2-115.2174.8-50.700109
233S34.8Very low36.7Very low114 Ų114130.5 Ų130.580%0.79778%0.784SS**  trans-100.5154.3-170.2178.10000114.6
234L33.2Very low36.8Very low177 Ų177131.7 Ų131.793%0.92779%0.791SS**  trans-164.4136.4157.8-118153.1000113.9
235G29.3Very low37.1Very low77 Ų77131.9 Ų131.979%0.79479%0.794SS**  trans101.6106156.400000117.6
236G29.9Very low37.2Very low73 Ų73134.7 Ų134.775%0.75380%0.803SS**  trans-142.4150.8163.900000111
237M36.4Very low36.6Very low157 Ų157132.2 Ų132.277%0.77379%0.793SS**  trans-175.7104.8174.3-106.6-17717100108.7
238H37.8Very low36.9Very low144 Ų144128 Ų12867%0.66778%0.784SS**  81.6146.396.174-175.6000115.4
239V38.3Very low36.9Very low118 Ų118131.9 Ų131.972%0.71579%0.789SS**  cis-167.2168-3-104.10000112.6
240N32.2Very low37.4Very low159 Ų159131.4 Ų131.485%0.8579%0.786SS**  trans86.9135.3161.7-61.6-68.8000119.9
241G30.9Very low37Very low69 Ų69125.8 Ų125.871%0.71178%0.782SS**  cis172145.3-12.400000117.3
242A39.7Very low36.7Very low102 Ų102124.8 Ų124.884%0.84378%0.78SS**  trans75.8160.2141.100000121.9
243P59.1Low36.9Very low105 Ų105122.5 Ų122.568%0.68278%0.779SS**  -148.7-163.8-116.937.2-10.9000118.7
244M37.8Very low37.7Very low165 Ų165123 Ų12381%0.81378%0.78SS**  trans80.2154.1164.1-46.1-165.1-16200117.8
245M40.9Very low37.9Very low167 Ų167118.7 Ų118.782%0.82377%0.769SS**  cis-131.9150.914.4-68.8175.517200110.9
246Q38.3Very low39.1Very low185 Ų185121 Ų12186%0.86477%0.77SS**  64.7143.861.7-92.6-153.5-10.700115.3
247A36.1Very low39.4Very low70 Ų70123.8 Ų123.858%0.57977%0.773SS**  cis-170.8174.1-8.100000113.2
248S36.1Very low39.3Very low100 Ų100125.6 Ų125.670%0.69978%0.779SS**  trans70.9119.1140.3-650000122
249M36.9Very low39Very low173 Ų173127.4 Ų127.485%0.85279%0.79SS**  109.2179.274.1-73.8-111.3-164.800111.6
250P53.7Low38.6Very low117 Ų117128.7 Ų128.776%0.7680%0.799SS**  -137.6174-68.242.6-26.4000116.5
251G27.7Very low38.6Very low84 Ų84126 Ų12687%0.86680%0.799SS**  trans77.6159.3158.900000118.3
252G28.8Very low38.7Very low66 Ų66127.6 Ų127.668%0.6880%0.804SS**  cis169.1138.6-12.700000113.5
253V37Very low38.4Very low150 Ų150129.4 Ų129.491%0.90981%0.805SS**  trans50.6164.2158.1-56.10000120
254P52Low37.2Very low125 Ų125129 Ų12981%0.81281%0.81SS**  cis-140.4-175.112.544-23.8000118
255A37Very low36.8Very low86 Ų86124.5 Ų124.571%0.71181%0.806SS**  trans-91179.3161.700000111.2
256P54Low37.3Very low126 Ų126122.9 Ų122.982%0.81881%0.808SS**  -154.5-177.384.439.8-18.3000118
257V37.5Very low36.9Very low132 Ų132117.2 Ų117.280%0.880%0.799SS**  trans-61.2165-176-66.30000118.9
258Q33Very low38Very low195 Ų195120.4 Ų120.491%0.91181%0.814SS**  -156.6157.6121.2-75.2-141.525.100112.5
259M32.3Very low37.8Very low182 Ų182119 Ų11990%0.89782%0.815SS**  trans-111.2142.2-176.8-69.5175.4169.900113.5
260T30.4Very low37.6Very low145 Ų145116.8 Ų116.889%0.8982%0.817SS**  trans-161.3156.6144.646.90000107.2
261A31.5Very low36.6Very low103 Ų103119.2 Ų119.285%0.85182%0.822SS**  cis-152.6-169.4-26.500000107.5
262A32.4Very low38.2Very low101 Ų101121 Ų12184%0.83582%0.819SS**  trans-122.1153.7-174.300000115.1
263V34.7Very low38.3Very low141 Ų141122.9 Ų122.986%0.85583%0.828SS**  trans-160.1129.4138.562.30000112.9
264A32.3Very low38Very low96 Ų96118.8 Ų118.879%0.79382%0.817SS**  trans19.6135.2162.400000123.9
265G30.8Very low37Very low71 Ų71119.2 Ų119.273%0.73282%0.816SS**  trans-88.1-144.1155.700000112.2
266P49.9Very low37.1Very low133 Ų133123.6 Ų123.686%0.86482%0.824SS**  cis-131.2-162.13.942.9-24.9000113.6
267G30.4Very low36.4Very low65 Ų65126.3 Ų126.367%0.6783%0.826SS**  trans-83.9-137.5170.400000114.5
268P59.1Low36.3Very low137 Ų137124.6 Ų124.689%0.8983%0.826SS**  -118161.8-96.138.7-33.8000116
269G32.5Very low36.3Very low70 Ų70123.8 Ų123.872%0.72282%0.822SS**  trans102.2163.1145.900000119.7
270S31.7Very low36.5Very low127 Ų127121.9 Ų121.989%0.88882%0.82SS**  trans90129.7159.5-47.40000120.6
271L33.5Very low36.5Very low168 Ų168118.9 Ų118.988%0.8882%0.818SS**  trans-74.8-173.9158.4-56.6154.9000109.8
272P60.9Low37Very low121 Ų121122.1 Ų122.179%0.78682%0.818SS**  cis-134.6-162.1-9.129.7-4.9000114.2
273A30.3Very low37Very low106 Ų106126.1 Ų126.188%0.87682%0.819SS**  trans84.5142168.100000117.7
274G30.8Very low37Very low65 Ų65123.3 Ų123.367%0.6782%0.818SS**  cis174162.7-8.600000114.7
275V32.5Very low37Very low133 Ų133122.7 Ų122.781%0.80682%0.821SS**  trans69.9119.1157.3-57.90000124.3
276M39.4Very low37Very low178 Ų178123 Ų12388%0.87782%0.824SS**  trans66.7145.1137.2-63.3175.116800119.9
277Q38.7Very low36.9Very low184 Ų184122.9 Ų122.986%0.8682%0.824SS**  cis-141.4134.627.8-62.3171.210.300110.8
278A35.6Very low37.3Very low96 Ų96125.9 Ų125.979%0.79383%0.829SS**  82.8146.689.800000116.4
279Q33.1Very low37Very low178 Ų178125.7 Ų125.783%0.83283%0.828SS**  cis-170171.4-24.6-174.6154.4-72.100110.5
280V35.8Very low37.1Very low142 Ų142131.1 Ų131.186%0.86184%0.836SS**  trans87.6138.9170.2-42.10000117.8
281G31.7Very low37.3Very low82 Ų82132.8 Ų132.885%0.84583%0.83SS**  cis-166.7-179.12.400000113.8
282M40.3Very low37.1Very low170 Ų170134.9 Ų134.984%0.83783%0.826SS**  trans-109.6166.2-155.9-124.7-178.6173.500116.6
283Q32.7Very low35.6Very low186 Ų186132.4 Ų132.487%0.86982%0.823SS**  trans66.8157.3159.6-66.3172.196.500117.9
284G35.8Very low35.6Very low81 Ų81136.1 Ų136.184%0.83582%0.822SS**  cis139.9121.8-4.700000113.1
285G31.2Very low35.9Very low83 Ų83139.2 Ų139.286%0.85683%0.828SS**  trans127150.6170.300000117.1
286G30.3Very low36.5Very low77 Ų77138.3 Ų138.379%0.79483%0.825SS**  trans-84.4-156175.500000114
287P48.8Very low36.5Very low131 Ų131138.2 Ų138.285%0.85182%0.824SS**  cis-141.3-162.53242.1-21.2000116.2
288V39.4Very low36.3Very low129 Ų129138.1 Ų138.178%0.78282%0.824SS**  trans-70.7167.7178.6-60.70000114.5
289P51.7Low36.6Very low133 Ų133140.1 Ų140.186%0.86482%0.821SS**  -143.8-165.994.440.3-23.9000115.6
290M35.8Very low37.1Very low183 Ų183137.1 Ų137.190%0.90182%0.817SS**  trans-118.1154.1-154.1-174.5170.3-173.800113
291E34.2Very low37Very low163 Ų163141.3 Ų141.376%0.76282%0.817SS**  trans143.6153.2154.6-83.5-149.897.300111.5
292R29.3Very low37Very low212 Ų212141.5 Ų141.580%0.881%0.811SS**  cis-174.8133.4-26.2168.8-178.2162.2177.5-6.7109.1
293G30.2Very low36.7Very low69 Ų69137.9 Ų137.971%0.71181%0.808SS**  trans81.7164.3166.800000116
294Q31Very low36.8Very low183 Ų183137 Ų13786%0.85581%0.806SS**  cis-160.5150.7-7.5-155.7155.472.600109.4
295V37.4Very low36.7Very low130 Ų130140.8 Ų140.879%0.78880%0.802SS**  trans-74.1154175.2-59.80000111.3
296P43.9Very low36.6Very low115 Ų115148.3 Ų148.375%0.74781%0.805SS**  -140149.577.924.6-1.9000113.8
297M39.9Very low36.5Very low176 Ų176148.5 Ų148.587%0.86781%0.806SS**  62.9103.568.7-161.1178.2-165.200115.5
298Q33.5Very low35.7Very low182 Ų182147.3 Ų147.385%0.8581%0.808SS**  trans-171.9122139-108.9159.1107.300113.2
299D41.6Very low35.7Very low138 Ų138149.2 Ų149.274%0.73881%0.812SS**  trans-74.8149.4146.9-154.2-83.9000106.9R301D299-R301 PolarHBondContact OD1-N 2.92Å
300P45.3Very low35.6Very low115 Ų115149 Ų14975%0.74781%0.811SS**  -150.113210734.4-15.9000116.6
301R32.6Very low35.5Very low229 Ų229144.6 Ų144.686%0.86480%0.804SS**  trans-35.6141.8148.8-174.2-171.6170.2164.8-1.4116.3D299D299-R301 PolarHBondContact OD1-N 2.92Å
302A32.5Very low35.4Very low87 Ų87144.6 Ų144.672%0.71981%0.809SS**  trans107.3119.6147.100000122.4
303A33.9Very low35.9Very low93 Ų93140.3 Ų140.377%0.76981%0.806SS**  75.5157.1128.800000123.2
304M34.1Very low36.7Very low169 Ų169142.9 Ų142.983%0.83381%0.811SS**  trans77.7154.5170.6-66.1-166.8-177.300119.1
305Q34.2Very low37.1Very low159 Ų159140.3 Ų140.374%0.74381%0.807SS**  cis-168.4144.5-33.7-165.1152.592.500110.4
306R29.8Very low37.7Very low242 Ų242139.6 Ų139.691%0.91381%0.806SS**  trans28.9135.5157.2-75.5-176.5148.5-149.9-4.8123.3
307G28.1Very low37.1Very low80 Ų80145.8 Ų145.883%0.82581%0.814SS**  trans107.4144.9137.700000115.9
308A30.6Very low36.6Very low107 Ų107141.1 Ų141.188%0.88481%0.811SS**  cis-152.4173.21.600000113.3
309L40.5Very low36.6Very low168 Ų168140.9 Ų140.988%0.8882%0.815SS**  trans-74.2170.4-174.6-55.2164.3000112.6
310P48.7Very low36.4Very low128 Ų128142.7 Ų142.783%0.83182%0.823SS**  -148.6-172.760.536.5-13.6000115.3
311A33.8Very low35.7Very low92 Ų92140.2 Ų140.276%0.7682%0.819SS**  cis-169.6143.7-44.400000108.2
312N33.1Very low35.8Very low163 Ų163137.1 Ų137.187%0.87282%0.819SS**  trans-151.9136.3154.4-16012.6000110.7
313V40.1Very low36Very low122 Ų122137 Ų13774%0.73982%0.818SS**  trans-155.3136.5-160.5149.80000105.7
314P46Very low37Very low123 Ų123138.3 Ų138.380%0.79982%0.819SS**  -149.7166.282.135.9-14.6000118.8
315T39.5Very low37.2Very low128 Ų128137.9 Ų137.979%0.78582%0.82SS**  trans-124150.2165.2-300000108.2
316P50.2Low37.6Very low116 Ų116135.3 Ų135.375%0.75381%0.812SS**  -143.1154.3116.626.7-6.5000111.9
317R31.8Very low38.6Very low244 Ų244129.1 Ų129.192%0.92180%0.802SS**  cis70.2112.847.2-172-175.3176.1101.7-1.5114
318G28.8Very low39.2Very low78 Ų78135.7 Ų135.780%0.80480%0.802SS**  trans154.1116.7157.400000118.2
319L34.3Very low39.3Very low178 Ų178134.2 Ų134.293%0.93280%0.798SS**  trans-60.4141.7167.8-72.7142.4000114.8
320L35.7Very low39Very low175 Ų175129.7 Ų129.792%0.91679%0.792SS**  172.1138.5128.7-156.764.5000107
321G31.6Very low38.5Very low63 Ų63129.7 Ų129.765%0.64979%0.789SS**  cis130.9776.200000110.4
322D34.3Very low38.4Very low164 Ų164132 Ų13288%0.87779%0.789SS**  trans-150.2139.9166.9-152.6-82000111.3
323A36.8Very low38.3Very low84 Ų84131.8 Ų131.869%0.69478%0.784SS**  trans-156.6147-17900000105.7
324P55.9Low37.8Very low121 Ų121131.9 Ų131.979%0.78679%0.785SS**  -152.916656.141.7-22.1000117.2
325N37Very low37.2Very low160 Ų160132 Ų13286%0.85678%0.783SS**  -166.8145.6103.7-150.53.1000113.4
326D44.1Very low36.9Very low106 Ų106132.6 Ų132.657%0.56779%0.787SS**  trans-84.5174174.5-151.7-145.3000108R328D326-R328 VanDerWaalsContact OD1-CD 3.31Å; D326-R328 WeakPolarHBondContact OD1-CD 3.34Å; D326-R328 WeakPolarHBondContact OD1-CG 3.48Å; D326-R328 PolarHBondContact OD2-N 3.47Å
327P50.5Low35.9Very low111 Ų111130 Ų13072%0.72178%0.782SS**  cis-140.3131.231.734.2-9.5000121
328R40.1Very low35.9Very low218 Ų218127.7 Ų127.782%0.82378%0.781SS**  61.2132.2126-55.4166.274.8152.43.1120.2D326D326-R328 VanDerWaalsContact OD1-CD 3.31Å; D326-R328 WeakPolarHBondContact OD1-CD 3.34Å; D326-R328 WeakPolarHBondContact OD1-CG 3.48Å; D326-R328 PolarHBondContact OD2-N 3.47Å
329G33.5Very low35.9Very low77 Ų77130.2 Ų130.279%0.79478%0.781SS**  cis157.7164.1-900000114.8
330G34.2Very low35.9Very low73 Ų73130.1 Ų130.175%0.75378%0.775SS**  trans83.2144.7146.100000117.5
331T37Very low36.6Very low127 Ų127126.7 Ų126.778%0.77976%0.764SS**  cis-167.2138.819.5-79.60000111.8
332L32.5Very low36.6Very low142 Ų142134.9 Ų134.974%0.74378%0.775SS**  trans28.9136.3148.8-66.4155.1000121.1
333M30.8Very low36.3Very low158 Ų158131.1 Ų131.178%0.77877%0.767SS**  46.814183.5-52.9-168.6100.100114.3
334T29.5Very low36.4Very low123 Ų123137 Ų13776%0.75577%0.773SS**  cis-162.1-177.834.4-260000112.1
335V34.1Very low35.7Very low126 Ų126137.3 Ų137.376%0.76477%0.767SS**  trans-61.6143.4-177.568.30000117.8
336T31.5Very low35.6Very low140 Ų140132.6 Ų132.686%0.85976%0.756SS**  trans-177.8158139.637.40000106.1
337G29.1Very low36.5Very low63 Ų63133.5 Ų133.565%0.64977%0.768SS**  cis140.6100.36.200000108.8
338E31.5Very low36.5Very low194 Ų194133.8 Ų133.891%0.90777%0.77SS**  trans65162.8-177.2-42.3-156.992.200114.4
339V30.7Very low37.4Very low131 Ų131129 Ų12979%0.79477%0.767SS**  cis-145.3160.620.2-610000111.8
340E34.5Very low38.4Very low176 Ų176131.1 Ų131.182%0.82277%0.767SS**  trans-77.4171.5151.4-105.3-168.58700110.2
341P48.9Very low39.1Very low104 Ų104132.9 Ų132.968%0.67577%0.765SS**  cis-138.8-170-2.532-8.5000115.1
342R31.2Very low39.5Very low234 Ų234136.4 Ų136.488%0.88377%0.772SS**  trans93.2138.2134.8-157.1-177.8177.4123.8-0.1121.5
343A28.2Very low39.8Very low85 Ų85138.1 Ų138.170%0.70278%0.776SS**  trans71.2156.8157.700000116.9
344Y39.1Very low40.1Very low208 Ų208133.9 Ų133.982%0.81677%0.773SS**  cis-157.9154.414.8-157.5-103.7000108.6
345L41.8Very low41.4Very low127 Ų127134 Ų13467%0.66578%0.776SS**  cis-169.2145-27.3178.6119.9000107.6
346G34.8Very low42.1Very low61 Ų61134 Ų13463%0.62978%0.779SS**  trans-111.8146.1170.500000112
347P62Low42.4Very low126 Ų126135.5 Ų135.582%0.81878%0.778SS**PPolyproline II helixtrans-75149.8-164.428.5-35.4000114.9
348P50.8Low42.8Very low116 Ų116139.4 Ų139.475%0.75378%0.779SS**PPolyproline II helixtrans-91.1152.3-173.835.9-36.2000114.5
349P58.9Low43Very low117 Ų117138.3 Ų138.376%0.7677%0.773SS**PPolyproline II helixtrans-80.2159.5161.333.3-32.7000112.4
350P55.1Low43.3Very low122 Ų122138.2 Ų138.279%0.79277%0.773SS**PPolyproline II helixtrans-76.3161.1-169.830.4-36.3000115.1
351P49.6Very low43.9Very low111 Ų111136.1 Ų136.172%0.72177%0.774SS**PPolyproline II helixtrans-86.2142.6-164.733.3-36.2000115.2
352H45Very low43Very low200 Ų200134 Ų13493%0.92677%0.771SS**PPolyproline II helixtrans-79.3124.9163.1-140.5-117.5000108.8
353Q39.2Very low43.4Very low179 Ų179131.2 Ų131.284%0.83677%0.768SS**  trans-104.5129.8173-70.8-170.226.800111.3
354G37.1Very low43.6Very low68 Ų68135.2 Ų135.270%0.70177%0.772SS**  trans-117.5178.2166.800000111
355P56.6Low43.5Very low127 Ų127128.9 Ų128.983%0.82577%0.77SS**  -106.9-179.4-118.139.1-39.3000114.7
356P47.8Very low43.2Very low126 Ų126134.7 Ų134.782%0.81878%0.783SS**  trans-135.6151.3141.233.2-18.1000116.6
357M37.4Very low43.2Very low171 Ų171135.4 Ų135.484%0.84279%0.79SS**  trans-25.9154.5164.8-68.1-94.7-165.800117.6
358H38Very low42.6Very low145 Ų145135.1 Ų135.167%0.67179%0.788SS**  -174.6163.160.4-140.4-87000113.9
359H35.8Very low43.1Very low170 Ų170135.2 Ų135.279%0.78779%0.789SS**  trans91.9151.3163.9-70.4105.5000122
360V36.6Very low42.9Very low130 Ų130135 Ų13579%0.78879%0.787SS**  trans-130.9151.3-149.1163.50000105.8
361P47.4Very low42.3Very low131 Ų131137.5 Ų137.585%0.85179%0.788SS**  -155.9164.966.641.9-20.2000120.9
362G30.4Very low41.6Very low59 Ų59138 Ų13861%0.60879%0.785SS**  trans147.798149.400000116.7
363H39.1Very low41.4Very low176 Ų176136 Ų13682%0.81578%0.778SS**  trans42.3153.3144.9-60.8-79.5000122.4
364E32.8Very low41.3Very low170 Ų170139.1 Ų139.179%0.79478%0.782SS**  cis-174.1149-27.9-155.9163.9112.700107.8
365G37Very low41Very low75 Ų75139.5 Ų139.577%0.77379%0.786SS**  trans79.7125172.500000116.1
366R36.7Very low39.9Very low249 Ų249137 Ų13794%0.9478%0.783SS**  cis96.553.827.2-155.3-170.4-175.4176.72.6117.2
367G34.1Very low40.4Very low75 Ų75136.6 Ų136.677%0.77378%0.781SS**  trans51.3-167.715300000119.5
368P49.9Very low40.4Very low120 Ų120136.1 Ų136.178%0.77978%0.781SS**  cis-122.9174.7-33.240.9-27.7000112.9
369P60.4Low40.3Very low118 Ų118133.8 Ų133.877%0.76679%0.787SS**  trans-87.2152.1160.536.3-32.4000110.8
370P55.6Low40.4Very low112 Ų112132.8 Ų132.873%0.72778%0.782SS**  -159.4-173.882.242.5-21.7000116.1
371H41.1Very low41.1Very low176 Ų176132.8 Ų132.882%0.81579%0.785SS**  trans163.4120.6143.4-9189000106.3
372D35.2Very low40.6Very low120 Ų120136.4 Ų136.464%0.64278%0.781SS**  cis85.3111.834.7-152.2-100.8000115.7
373M41.9Very low41.8Very low158 Ų158139 Ų13978%0.77879%0.788SS**  trans40.1134.7158.9-57.3-173.5-156.600121.9
374R37.3Very low41.7Very low245 Ų245138.1 Ų138.193%0.92579%0.788SS**  151.7126.992.1-158.1164.4-176.5-177.9-0.3112.7
375G30Very low42Very low76 Ų76138.8 Ų138.878%0.78479%0.793SS**  trans-91.8171.3-165.300000120.1
376G34.1Very low41.8Very low75 Ų75140 Ų14077%0.77380%0.796SS**  trans68.5179.5150.700000119.1
377P57.2Low41.8Very low118 Ų118136.8 Ų136.877%0.76679%0.792SS**  cis-140.5-163.5-5.935.3-12.5000114.8
378L38.7Very low43Very low161 Ų161138.1 Ų138.184%0.84379%0.787SS**  trans100.2123.9152.5-107.781.8000123
379A35.8Very low42.2Very low96 Ų96144.5 Ų144.579%0.79380%0.796SS**  trans89.2111.4133.400000122.3
380E37.8Very low40.8Very low149 Ų149142 Ų14270%0.69679%0.791SS**  trans-84.4159.4160.3-143.7178.2112.100109.9R382E380-R382 WeakPolarHBondContact OE1-CG 3.37Å; E380-R382 IonicContact OE1-NE 3.4Å; E380-R382 PolarHBondContact OE1-NE 3.01Å
381P49.8Very low40.6Very low129 Ų129142.6 Ų142.684%0.83880%0.795SS**  -148.916392.536.4-17.4000117.5
382R37.9Very low40.5Very low207 Ų207142.4 Ų142.478%0.78180%0.796SS**  trans-74.2-168.3179.8-50.1167.7163.6-164.5-11.9114.3E380E380-R382 WeakPolarHBondContact OE1-CG 3.37Å; E380-R382 IonicContact OE1-NE 3.4Å; E380-R382 PolarHBondContact OE1-NE 3.01Å
383P55.9Low41Very low114 Ų114144.1 Ų144.174%0.7480%0.804SS**  cis-134.2179.3-18.225.1-1.1000115.4
384L37.2Very low40.8Very low158 Ų158142.9 Ų142.983%0.82780%0.801SS**  trans161.6106.5141.5-88.1160.3000109.4
385M37.4Very low40.9Very low183 Ų183138.9 Ų138.990%0.90179%0.793SS**  83.5129.584.7-108.3-173176.900117.9
386A33.6Very low41.2Very low101 Ų101147.2 Ų147.284%0.83580%0.801SS**  trans86.7111153.300000122.5
387E37.3Very low41.1Very low182 Ų182147.1 Ų147.185%0.8580%0.8SS**  trans-84-171.8149.1-103.2-172.880.100110.6
388P58.4Low41.2Very low103 Ų103147.5 Ų147.567%0.66980%0.802SS**  cis-136166.6-42.737.4-21.7000113.8
389R32.6Very low41.7Very low254 Ų254146.1 Ų146.196%0.95880%0.803SS**  trans173.9154.9148-107.6178.5131.9110-0.2115.2
390G32.9Very low41.8Very low64 Ų64149.7 Ų149.766%0.6681%0.805SS**  trans-97.4174167.900000114.6
391P51.2Low41.7Very low125 Ų125149.1 Ų149.181%0.81281%0.807SS**  -140.5179.596.931.2-11.4000113.3
392M38.5Very low40.9Very low173 Ų173146.8 Ų146.885%0.85280%0.798SS**  cis96.4147.712-157.5176.9179.500117.5
393L45.8Very low40.5Very low155 Ų155148.6 Ų148.681%0.81281%0.805SS**  trans92.2143.9174.8-59.5169.2000116.8
394D38.3Very low39.2Very low132 Ų132147.2 Ų147.271%0.70681%0.812SS**  cis-154.3178.7-4.3-173.5-139.7000112.5
395Q39.1Very low38.8Very low162 Ų162143.3 Ų143.376%0.75781%0.809SS**  trans-86.9154.1-171-53.2151.686.900116.6
396R34.9Very low38.8Very low251 Ų251146.2 Ų146.295%0.94781%0.81SS**  trans-174.2126.5135-115.6177.4177.8-176.50.1116.2
397G31.8Very low38.9Very low73 Ų73148.3 Ų148.375%0.75381%0.807SS**  trans61.5127.513400000122.8
398P59.8Low39.7Very low125 Ų125145 Ų14581%0.81280%0.802SS**  trans-95.9176.4166.439.9-34.6000112.9
399P50.3Low38.5Very low132 Ų132152.1 Ų152.186%0.85782%0.815SS**  trans-132.5162.1140.337.1-26000115.4
400M37.5Very low38.4Very low171 Ų171143.1 Ų143.184%0.84280%0.801SS**  trans-87.7167.2-178.3-103.5174.7147.200114
401D36Very low38.8Very low138 Ų138147.7 Ų147.774%0.73881%0.81SS**  trans42.4128.9147.1-72.5-103.6000122.3
402A32.1Very low38Very low79 Ų79149 Ų14965%0.65381%0.81SS**  168.8131.494.400000116
403R30.2Very low37.8Very low246 Ų246144.4 Ų144.493%0.92880%0.8SS**  trans55.8123.3136.5-64.5-168.8-73.9179.5-6.5123.1
404G29.2Very low37.2Very low85 Ų85149.1 Ų149.188%0.87681%0.807SS**  trans99.5139.8137.300000115.8
405G28.4Very low36.9Very low75 Ų75146 Ų14677%0.77381%0.806SS**  cis157.9169.5-2.500000111.1
406R36Very low36.7Very low245 Ų245147.3 Ų147.393%0.92581%0.814SS**  trans74.399.9172.8-78.9-176176.6167.1-0.6119.6
407D36.3Very low36.7Very low144 Ų144144 Ų14477%0.7781%0.81SS**  -49.5175.4124.7-42-98.9000112.1
408P53.5Low36.8Very low113 Ų113144.7 Ų144.773%0.73481%0.808SS**  cis-145.6178.61342.8-23.4000117.3
409R34.1Very low35.4Very low252 Ų252150.1 Ų150.195%0.95181%0.812SS**  trans155.9132.4146.6-88.5162.4-177.9-169.11.3108.1
410G29.7Very low34.5Very low65 Ų65148.1 Ų148.167%0.6781%0.807SS**  cis156.6161.8-200000110.2
411L41.5Very low34.2Very low161 Ų161148.5 Ų148.584%0.84381%0.809SS**  trans80.1103.8175.5-49.1163.4000114.7
412D35.2Very low34.4Very low152 Ų152150 Ų15081%0.81381%0.811SS**  77136.864.8-75.4-80.8000113.9
413A34.7Very low34.3Very low77 Ų77151 Ų15164%0.63682%0.82SS**  cis-170.9173.3-10.500000112.3
414R33.4Very low34.5Very low254 Ų254150.5 Ų150.596%0.95882%0.818SS**  trans80.8135.5167.5-59-177177.9178.9-0.1118.1
415G30.5Very low34.7Very low67 Ų67149.9 Ų149.969%0.69181%0.812SS**  cis-149.9146.9-6.100000110
416M36.2Very low35.1Very low189 Ų189154.9 Ų154.993%0.93182%0.82SS**  56.4127.679-89.7-179.9177.200112.6
417E34.6Very low35.2Very low182 Ų182150.2 Ų150.285%0.8581%0.813SS**  cis-136.1135.230.6-68.717264.800112
418A32.8Very low35.2Very low87 Ų87148 Ų14872%0.71982%0.815SS**  76.1135.78200000114.2
419R30.9Very low34.2Very low238 Ų238153.8 Ų153.890%0.89882%0.822SS**  cis-138.4145.28-66.1175.4172.3151.1-1.6108.4
420A31.5Very low34.1Very low91 Ų91145.3 Ų145.375%0.75281%0.813SS**  68133.150.500000113.6
421M31.8Very low34.5Very low179 Ų179150.7 Ų150.788%0.88283%0.826SS**  cis-165.4163.5-6.8-179.5171.4-8800109.6
422E39.2Very low34.1Very low168 Ų168151.5 Ų151.579%0.78583%0.825SS**  trans-56164.7164.3-68.6168.455.700114
423A30.6Very low34.1Very low102 Ų102149 Ų14984%0.84383%0.825SS**  trans-139.5127.7153.100000110.7
424R34.7Very low34.1Very low235 Ų235156.1 Ų156.189%0.88784%0.836SS**  trans-87.1138.2172.7-79.2-177.6175.3-178.8-2.2111.4
425G33.8Very low34.1Very low72 Ų72148.9 Ų148.974%0.74283%0.83SS**  78.5114.3126.300000119.3
426L36.9Very low34.2Very low179 Ų179154.3 Ų154.394%0.93784%0.84SS**  trans-135.6139.2148.3-73.7176000108.8
427D36.8Very low34.1Very low147 Ų147151.8 Ų151.879%0.78683%0.826SS**  trans-80.8141.4177.7-174.4-87.1000110.9
428A36.6Very low34Very low97 Ų97147.7 Ų147.780%0.80282%0.823SS**  trans-146.3103.6168.300000110.6
429R33.6Very low34.1Very low236 Ų236153.3 Ų153.389%0.89183%0.825SS**  trans-58.2139169.3-67.7176.2173.6-178.5-3.4112
430G32.1Very low34.2Very low73 Ų73147 Ų14775%0.75382%0.824SS**  trans73.1103.2140.900000117.8
431L37.3Very low34.3Very low179 Ų179151.2 Ų151.294%0.93783%0.83SS**  trans-154.1117.2147.9-107.9154.7000109A433L431-A433 PolarHBondContact O-N 3.46Å
432E34.3Very low34.5Very low177 Ų177151 Ų15183%0.82783%0.827SS**  trans-67.3114.3177.9-73.4167.450.300111.2R434E432-R434 PolarHBondContact O-N 2.79Å
433A34.7Very low34.2Very low99 Ų99147.9 Ų147.982%0.81883%0.83SS**  trans-92.791.8165.200000109.7L431 A435L431-A433 PolarHBondContact O-N 3.46Å; A433-A435 PolarHBondContact O-N 2.99Å
434R33.2Very low34.3Very low228 Ų228153.7 Ų153.786%0.8683%0.83SS**  trans-59.4101.6168.8-81.4-179.9172.3172.2-3.4110.1E432 M436E432-R434 PolarHBondContact O-N 2.79Å; R434-M436 PolarHBondContact O-N 3.15Å
435A33.7Very low34.2Very low102 Ų102146.9 Ų146.984%0.84382%0.824SS**  trans-69.2110.716400000108.8A433 E437A433-A435 PolarHBondContact O-N 2.99Å; A435-E437 PolarHBondContact O-N 3.42Å
436M33.9Very low34.1Very low180 Ų180151.9 Ų151.989%0.88783%0.83SS**  trans-71.3125.2-174.5-174.1176-73.900111.4R434 A438R434-M436 PolarHBondContact O-N 3.15Å; M436-A438 PolarHBondContact O-N 3.23Å
437E33.1Very low33.9Very low137 Ų137151.2 Ų151.264%0.6482%0.822SS**  trans-67.797.5174.8-176.5179.9111.100110.7A435 R439A435-E437 PolarHBondContact O-N 3.42Å; E437-R439 HydrophobicContact CG-CG 4.24Å; E437-R439 PolarHBondContact O-N 3.38Å; E437-R439 IonicContact OE1-CZ 3.95Å; E437-R439 IonicContact OE1-NE 3.17Å; E437-R439 PolarHBondContact OE1-NE 2.85Å; E437-R439 IonicContact OE1-NH2 2.85Å; E437-R439 PolarHBondContact OE1-NH2 3.34Å
438A32.3Very low33.6Very low95 Ų95148.4 Ų148.479%0.78582%0.82SS**  trans-85.387.4173.800000110.9M436 A440M436-A438 PolarHBondContact O-N 3.23Å; A438-A440 PolarHBondContact O-N 3.5Å; A438-A440 VanDerWaalsContact O-N 3.12Å
439R35.3Very low33.7Very low206 Ų206154.9 Ų154.978%0.77782%0.823SS**  trans-67103.9167.5-65-177.1-171.6-179.52.7110E437 M441E437-R439 HydrophobicContact CG-CG 4.24Å; E437-R439 PolarHBondContact O-N 3.38Å; E437-R439 IonicContact OE1-CZ 3.95Å; E437-R439 IonicContact OE1-NE 3.17Å; E437-R439 PolarHBondContact OE1-NE 2.85Å; E437-R439 IonicContact OE1-NH2 2.85Å; E437-R439 PolarHBondContact OE1-NH2 3.34Å; R439-M441 PolarHBondContact O-N 2.91Å; R439-M441 VanDerWaalsContact O-N 3.13Å
440A32.7Very low33.6Very low106 Ų106148.8 Ų148.888%0.87682%0.824SS**  trans-7697.4167.100000109.5A438A438-A440 PolarHBondContact O-N 3.5Å; A438-A440 VanDerWaalsContact O-N 3.12Å
441M34.8Very low33.9Very low179 Ų179154.1 Ų154.188%0.88283%0.831SS**  trans-71.3152.9176.1-174.3173.8-76.700111.5R439R439-M441 PolarHBondContact O-N 2.91Å; R439-M441 VanDerWaalsContact O-N 3.13Å
442E35.1Very low33.6Very low174 Ų174155.1 Ų155.181%0.81383%0.831SS**  trans-58.1137.4178.5-175.4173.796.100113.7
443A32.5Very low33.5Very low102 Ų102150.2 Ų150.284%0.84382%0.821SS**  trans-145.1105.6166.700000110.9
444R33.5Very low33.5Very low224 Ų224157.5 Ų157.585%0.84583%0.827SS**  trans-108.5120.8168.3-82.2178.8167.8175.2-3.7109.8
445A31.4Very low33.3Very low92 Ų92151.3 Ų151.376%0.7683%0.825SS**  trans176130.9152.800000106.3
446M32.8Very low33.7Very low178 Ų178155.1 Ų155.188%0.87783%0.827SS**  61.512459.7-165-174.9-7100111.6
447E32.2Very low33.4Very low164 Ų164155.8 Ų155.877%0.76683%0.828SS**  cis-119.8-158.8-6.8-131.6-145.8108.200108.9
448A30.5Very low33.3Very low88 Ų88152.9 Ų152.973%0.72783%0.828SS**  cis-147.7-17713.900000113.6
449R38.8Very low33.2Very low233 Ų233160.3 Ų160.388%0.87984%0.836SS**  trans-90.9145.2169.1-63.1171.6173.3158.9-3.5112.4
450A31.7Very low32.9Very low109 Ų109155.6 Ų155.690%0.90184%0.841SS**  trans-146.7114.1146.200000109.6
451M39.3Very low32.9Very low184 Ų184159 Ų15991%0.90684%0.841SS**  trans-104.6121.9169.9171.6-168.9-71.600106.8
452E30.3Very low32.6Very low200 Ų200157.7 Ų157.794%0.93583%0.833SS**  trans-137.4144.5161.8-159.6168.396.800109.4
453A31.9Very low32.3Very low75 Ų75153.9 Ų153.962%0.6283%0.831SS**  trans-141.6142.2-16400000112.1
454R34Very low32.1Very low251 Ų251159.7 Ų159.795%0.94783%0.831SS**  trans70.2158.5174.3-51.8178.4176.7174.9-1112.8
455A30.2Very low31.9Very low99 Ų99153.6 Ų153.682%0.81883%0.829SS**  cis-142.7175.416.700000114.6
456M40.6Very low31.9Very low181 Ų181157.9 Ų157.989%0.89284%0.835SS**  trans-76.3140.2178.3168.9-164.1-64.100112.5
457E28.7Very low31.9Very low194 Ų194155.6 Ų155.691%0.90783%0.827SS**  trans-151.4166.8137-141.2176.980.700111.7
458A30.6Very low31.9Very low77 Ų77153.3 Ų153.364%0.63682%0.824SS**  trans-118.3162.4-156.800000113.8
459R30.1Very low31.9Very low250 Ų250160.3 Ų160.394%0.94383%0.831SS**  166.1134127.1-91.9165-177.6179.53.6111.2
460A30Very low31.5Very low107 Ų107152.7 Ų152.788%0.88483%0.825SS**  trans-145.6112.1164.600000110.1
461M31.1Very low32.1Very low179 Ų179153.5 Ų153.588%0.88282%0.821SS**  trans-169.3133178.3-165.4176.8-148.700105.1
462E29.3Very low32.4Very low151 Ų151150.8 Ų150.871%0.70682%0.815SS**  cis-164.6145.9-10172.7-165.4110.400105.9
463A28.5Very low33Very low94 Ų94147.3 Ų147.378%0.77781%0.81SS**  trans-171.4100.1152.700000115.5
464R28.8Very low33Very low224 Ų224147 Ų14785%0.84581%0.813SS**  trans38.8127.1134-68.8-178.5171.9168.9-2124.5
465A29.1Very low34.3Very low96 Ų96140.9 Ų140.979%0.79381%0.806SS**  trans70.1138.3135.600000118.6
466M31.9Very low34.3Very low182 Ų182147.7 Ų147.790%0.89781%0.811SS**  cis-165.4117.141-158.3159.3-173.400112.3
467D32.1Very low33.9Very low130 Ų130142.7 Ų142.770%0.69581%0.806SS**  trans55.8122132.7-152-99.5000124.2
468T32.3Very low34.6Very low115 Ų115139.9 Ų139.971%0.70680%0.804SS**  -175.8120.911221.90000113.1
469R30.6Very low34.8Very low236 Ų236143.9 Ų143.989%0.89181%0.814SS**  trans43.6120.2149.9-57.7171.6175.2170.8-3.2119
470G29.8Very low35.7Very low73 Ų73137.1 Ų137.175%0.75380%0.802SS**  cis93.3147.514.700000113.5
471P45.4Very low35.8Very low126 Ų126137.9 Ų137.982%0.81880%0.802SS**  cis-137.7179.1-20.341.2-23.4000115.6
472V44.3Very low35.8Very low127 Ų127132.5 Ų132.577%0.7779%0.792SS**  trans-71.1179.1168.8-66.60000113.4
473P44.1Very low36.1Very low127 Ų127133 Ų13383%0.82580%0.798SS**  -148.9166.310338.7-22.4000117.9
474G31.3Very low36.3Very low67 Ų67137.3 Ų137.369%0.69180%0.802SS**  trans-101.3-151.9169.300000114.3
475P60.8Low36.4Very low123 Ų123129.9 Ų129.980%0.79979%0.794SS**  trans-112.4176.5-141.442.4-39.4000118.8
476R31.7Very low37.5Very low242 Ų242131.5 Ų131.591%0.91380%0.797SS**  trans89.3108.7158.4-67175.961.6151.5-2121.6
477G32.2Very low37.7Very low77 Ų77129.9 Ų129.979%0.79479%0.792SS**  trans74.9165.8145.700000118.3
478P41.9Very low38.7Very low134 Ų134128.8 Ų128.887%0.8779%0.792SS**  cis-130.1-165.87.140.6-21.2000116.1
479L36.3Very low38.9Very low162 Ų162131.3 Ų131.385%0.84880%0.798SS**  trans-63.3172.5175.8-69.9160.4000114.1
480P47.6Very low39Very low107 Ų107126 Ų12670%0.69579%0.787SS**  cis-149-172.426.944.4-23000119.2
481S32.5Very low39.3Very low124 Ų124131.4 Ų131.487%0.86780%0.795SS**  trans68.5144.4160.5-54.90000118.9
482G30.2Very low38.6Very low66 Ų66128.3 Ų128.368%0.6879%0.786SS**  cis167.2163.8-7.800000112
483I36.9Very low38.1Very low161 Ų161127.4 Ų127.483%0.82679%0.792SS**  trans70.3121.1167.4-49.9174.6000114.6
484Q32.7Very low37.6Very low185 Ų185127.5 Ų127.586%0.86479%0.79SS**  -164.7159.656.3-153.2140.767.500111.9
485G29.9Very low37.7Very low67 Ų67130.4 Ų130.469%0.69179%0.794SS**  trans-90.8-156.6174.200000114
486P53.3Low37.3Very low131 Ų131129 Ų12985%0.85179%0.785SS**  cis-135.8176.91442.4-25.1000117.4
487N35.4Very low37.2Very low147 Ų147126.4 Ų126.479%0.78678%0.783SS**  trans-69.5164.9164.3-104.575.4000112.8
488P53.7Low37.1Very low108 Ų108125.8 Ų125.870%0.70178%0.777SS**  -136.5127.1106.837.3-26.1000111.9
489M35.3Very low36.8Very low168 Ų168124.9 Ų124.983%0.82877%0.774SS**  93.5147.491.3-78.5-177.5166.800112.3
490N33.3Very low36.7Very low124 Ų124126.7 Ų126.766%0.66377%0.769SS**  cis151.1116.4-17.9167.516000105.9
491M36.2Very low35.9Very low186 Ų186127.7 Ų127.792%0.91677%0.765SS**  trans167134.1138.4-94170.2177.700109.7
492G30.5Very low35.8Very low62 Ų62128 Ų12864%0.63976%0.761SS**  cis168.4157.7-9.800000112.5
493A33.7Very low36.6Very low107 Ų107130.2 Ų130.288%0.88476%0.764SS**  trans60.4149159.700000118.5
494V35.2Very low36.3Very low129 Ų129128.8 Ų128.878%0.78276%0.762SS**  cis-157.3123.512.3610000112.8
495V32.6Very low36.4Very low129 Ų129127.5 Ų127.578%0.78276%0.758SS**  12.4154126.3139.60000120.7
496P51.5Low36.5Very low94 Ų94132.7 Ų132.761%0.6176%0.764SS**  cis-145.1-163-22.844.3-24.8000115.9
497Q30.7Very low35.4Very low186 Ų186129.6 Ų129.687%0.86976%0.756SS**  trans69.9142.9159.5-75.1-178.7-111.300119.4
498G29.8Very low35.2Very low64 Ų64128.1 Ų128.166%0.6677%0.765SS**  cis12283.1-11.900000116.4
499S34.9Very low34Very low115 Ų115126 Ų12680%0.80476%0.763SS**  trans-176.4161.7164.946.80000111
500R34.1Very low34.1Very low200 Ų200126.2 Ų126.276%0.75576%0.764SS**  cis-174.4147.7-47.6-117.817693.4174.82.6108.1
501Q32.2Very low33.9Very low128 Ų128128.6 Ų128.660%0.59877%0.771SS**  trans78.8116.5146.9-70172.1148.500119.5
502V29.7Very low33.7Very low132 Ų132123 Ų12380%0.876%0.761SS**  71.2158.387.6-57.10000113.9
503P47.6Very low33.7Very low112 Ų112124.8 Ų124.873%0.72777%0.769SS**  cis-136.5163.421.645-25.3000116
504V31Very low33.6Very low130 Ų130124.3 Ų124.379%0.78876%0.76SS**  92.2121.960.9107.60000116.2
505M32.9Very low33.6Very low158 Ų158126 Ų12678%0.77876%0.761SS**  trans166.9120.1136.3-92.3-172.116700108
506Q32.9Very low33.7Very low176 Ų176128.1 Ų128.182%0.82276%0.763SS**  77.5126.664.6-172.3178.9-3.300111.8
507G31Very low32.6Very low67 Ų67127.1 Ų127.169%0.69177%0.769SS**  cis171.9177.9-3.900000111.7
508A31.2Very low32.6Very low116 Ų116121.7 Ų121.796%0.95976%0.763SS**  trans63.3158175.300000117.1
509G27.9Very low32.7Very low64 Ų64124.6 Ų124.666%0.6677%0.773SS**  cis159.7157.7-6.800000111.5
510M36.4Very low32.8Very low172 Ų172127.9 Ų127.985%0.84778%0.776SS**  trans67.2165.1170-62.2171.782.500117
511Q30.2Very low33.5Very low173 Ų173124.2 Ų124.281%0.80878%0.778SS**  cis-169.3158.5-43.3-107169.3600108
512G31.1Very low33.9Very low69 Ų69121.6 Ų121.671%0.71179%0.785SS**  trans115.2122.6173.800000113.1
513A31.5Very low34Very low99 Ų99118.9 Ų118.982%0.81878%0.784SS**  cis62.7130.731.500000113
514S32.2Very low33.5Very low98 Ų98123.8 Ų123.869%0.68579%0.794SS**  cis-170.6-179.3-0.248.60000110.4
515M34.7Very low33.7Very low164 Ų164123.1 Ų123.181%0.80880%0.795SS**  trans69.9164.1169-53.6-68.3-176.800116.2
516Q33.2Very low34.4Very low174 Ų174121.8 Ų121.881%0.81380%0.798SS**  cis-174.9145.7-34.5-177.6-178.1125.200106.8
517G30.3Very low34.6Very low73 Ų73116.9 Ų116.975%0.75380%0.795SS**  cis148.7118.7-8.800000112.3
518G29.8Very low35Very low71 Ų71123 Ų12373%0.73281%0.806SS**  trans175.9143.5-177.100000118.7
519S32.7Very low35.6Very low125 Ų125122.6 Ų122.687%0.87480%0.796SS**  trans60.3104.7153.645.40000122.4
520Q36.8Very low36.4Very low185 Ų185128.3 Ų128.386%0.86481%0.805SS**  trans-60.6167.9136.7-103.317967.100111.1
521P47.2Very low37.1Very low122 Ų122124.3 Ų124.379%0.79279%0.791SS**  cis-133.9174.636.838.3-19000116.8
522G42.5Very low38.6Very low73 Ų73119.6 Ų119.675%0.75377%0.774SS**  trans-76.7148.9-174.700000115.1
523G31.9Very low39.9Very low76 Ų76121.7 Ų121.778%0.78478%0.775SS**  trans-106.9132.2164.300000110.6
524F36.4Very low40.8Very low215 Ų215123.8 Ų123.894%0.94377%0.768SS**  trans-69.6144.5168.7-80-111.2000110.3
525S35.3Very low42.2Very low115 Ų115123.1 Ų123.180%0.80476%0.756SS**  trans-131.9123.2161.1-730000109.1
526P46.1Very low43.6Very low130 Ų130121.7 Ų121.784%0.84475%0.748SS**  trans-73.1156.5-178.930-34.1000112.2
527G37.3Very low45.2Very low73 Ų73119.9 Ų119.975%0.75374%0.739SS**  trans-70.2149.2-165.200000115.7S529G527-S529 PolarHBondContact O-N 2.99Å
528Q40.2Very low46.8Very low196 Ų196122.6 Ų122.692%0.91673%0.73SS**  trans-66.2110.1159.9-78.6179.3100109.4Q530Q528-Q530 PolarHBondContact O-N 3.39Å
529S44Very low48.4Very low108 Ų108121.6 Ų121.676%0.75572%0.715SS**  trans-62.7116.4162.2-59.30000108.9G527 V531G527-S529 PolarHBondContact O-N 2.99Å; S529-V531 PolarHBondContact O-N 2.95Å; S529-V531 VanDerWaalsContact O-N 3.09Å
530Q43.9Very low50.2Low183 Ų183118.4 Ų118.486%0.85570%0.696SS**  trans-66.5110.4170.7-71.7-176.117.500108.9Q528 T532Q528-Q530 PolarHBondContact O-N 3.39Å; Q530-T532 PolarHBondContact O-N 3.36Å; Q530-T532 VanDerWaalsContact O-N 3.17Å
531V51.3Low51.8Low89 Ų89114.2 Ų114.254%0.53968%0.679SS.*  trans-69.3110176.5-164.70000107.7S529 D535S529-V531 PolarHBondContact O-N 2.95Å; S529-V531 VanDerWaalsContact O-N 3.09Å; V531-D535 HydrophobicContact CG1-CB 4Å
532T61.3Low52.8Low74 Ų74111.9 Ų111.945%0.45466%0.659SS.*  trans-74.6155178.856.40000110.5Q530 Q534 D535 H536Q530-T532 PolarHBondContact O-N 3.36Å; Q530-T532 VanDerWaalsContact O-N 3.17Å; T532-Q534 PolarHBondContact O-N 2.82Å; T532-D535 WeakPolarHBondContact O-CA 3.46Å; T532-D535 WeakPolarHBondContact O-CB 3.36Å; T532-D535 PolarHBondContact O-N 3.28Å; T532-H536 PolarHBondContact O-N 3.48Å
533P58.3Low54Low113 Ų113114.3 Ų114.373%0.73465%0.652SS**Hα-helixtrans-58.5-31176.420.9-32.4000112.9D535 H536 E537P533-D535 VanDerWaalsContact C-N 3.28Å; P533-D535 PolarHBondContact O-N 3.42Å; P533-H536 PolarHBondContact O-N 2.9Å; P533-E537 PolarHBondContact O-N 3.3Å
534Q50.6Low55.7Low142 Ų142116.8 Ų116.866%0.66464%0.644SS**Hα-helixtrans-66-27.1172.2-69.3-177.7-87.900113.5T532 K538T532-Q534 PolarHBondContact O-N 2.82Å; Q534-K538 WeakPolarHBondContact O-CB 3.25Å; Q534-K538 VanDerWaalsContact O-CG 3.25Å; Q534-K538 WeakPolarHBondContact O-CG 3.35Å; Q534-K538 PolarHBondContact O-N 3.37Å
535D63.2Low57.3Low84 Ų84107.4 Ų107.445%0.44960%0.604SS.*Hα-helixtrans-76.6-38.1176.2-162.4-110.4000111.2V531 T532 P533 K538 A539V531-D535 HydrophobicContact CG1-CB 4Å; T532-D535 WeakPolarHBondContact O-CA 3.46Å; T532-D535 WeakPolarHBondContact O-CB 3.36Å; T532-D535 PolarHBondContact O-N 3.28Å; P533-D535 VanDerWaalsContact C-N 3.28Å; P533-D535 PolarHBondContact O-N 3.42Å; D535-K538 PolarHBondContact O-N 2.88Å; D535-A539 WeakPolarHBondContact O-CB 3.33Å; D535-A539 PolarHBondContact O-N 2.99Å
536H62.8Low58.9Low135 Ų135106.5 Ų106.563%0.62559%0.589SS**Hα-helixtrans-60.7-42.8168.9-104.267.4000112.3T532 P533 A539 A540T532-H536 PolarHBondContact O-N 3.48Å; P533-H536 PolarHBondContact O-N 2.9Å; H536-A539 PolarHBondContact O-N 3.17Å; H536-A540 WeakPolarHBondContact O-CB 3.35Å; H536-A540 PolarHBondContact O-N 3.09Å
537E66.4Low60Low136 Ų136106.9 Ų106.964%0.63658%0.58SS**Hα-helixtrans-68.3-39.2178-168.9147.672.800111.9P533 A540 L541P533-E537 PolarHBondContact O-N 3.3Å; E537-A540 PolarHBondContact O-N 2.85Å; E537-L541 HydrophobicContact CG-CD1 4.38Å; E537-L541 WeakPolarHBondContact O-CB 3.43Å; E537-L541 WeakPolarHBondContact O-CG 3.4Å; E537-L541 PolarHBondContact O-N 3.39Å
538K64.8Low61.7Low129 Ų129105.3 Ų105.356%0.56155%0.554SS**Hα-helixtrans-61.1-43.4169.3-77.9175179.5-176.50112.2Q534 D535 A540 L541 I542Q534-K538 WeakPolarHBondContact O-CB 3.25Å; Q534-K538 VanDerWaalsContact O-CG 3.25Å; Q534-K538 WeakPolarHBondContact O-CG 3.35Å; Q534-K538 PolarHBondContact O-N 3.37Å; D535-K538 PolarHBondContact O-N 2.88Å; K538-A540 VanDerWaalsContact C-N 3.35Å; K538-A540 PolarHBondContact O-N 3.24Å; K538-L541 PolarHBondContact O-N 3.26Å; K538-I542 WeakPolarHBondContact O-CB 3.41Å; K538-I542 WeakPolarHBondContact O-CD1 3.35Å; K538-I542 WeakPolarHBondContact O-CG1 3.47Å; K538-I542 PolarHBondContact O-N 2.83Å
539A63.3Low63.3Low51 Ų5199.5 Ų99.542%0.42153%0.532SS..Hα-helixtrans-63.2-40.3176.900000111.9D535 H536 I542 M543D535-A539 WeakPolarHBondContact O-CB 3.33Å; D535-A539 PolarHBondContact O-N 2.99Å; H536-A539 PolarHBondContact O-N 3.17Å; A539-I542 PolarHBondContact O-N 3.25Å; A539-M543 WeakPolarHBondContact O-CB 3.34Å; A539-M543 PolarHBondContact O-N 2.98Å
540A70.6Confident64.5Low57 Ų5798.4 Ų98.447%0.47153%0.53SS..Hα-helixtrans-63.9-44.8174.400000112.2H536 E537 K538 M543 Q544H536-A540 WeakPolarHBondContact O-CB 3.35Å; H536-A540 PolarHBondContact O-N 3.09Å; E537-A540 PolarHBondContact O-N 2.85Å; K538-A540 VanDerWaalsContact C-N 3.35Å; K538-A540 PolarHBondContact O-N 3.24Å; A540-M543 PolarHBondContact O-N 3.47Å; A540-Q544 WeakPolarHBondContact O-CB 3.44Å; A540-Q544 PolarHBondContact O-N 2.98Å
541L69.4Low65.8Low97 Ų9795.1 Ų95.151%0.50852%0.518SS..Hα-helixtrans-61.5-44.2174.4-75.1162.6000111.9E537 K538 M543 Q544 V545E537-L541 HydrophobicContact CG-CD1 4.38Å; E537-L541 WeakPolarHBondContact O-CB 3.43Å; E537-L541 WeakPolarHBondContact O-CG 3.4Å; E537-L541 PolarHBondContact O-N 3.39Å; K538-L541 PolarHBondContact O-N 3.26Å; L541-M543 VanDerWaalsContact C-N 3.35Å; L541-M543 PolarHBondContact O-N 3.46Å; L541-Q544 PolarHBondContact O-N 3.05Å; L541-V545 WeakPolarHBondContact O-CG2 3.41Å; L541-V545 PolarHBondContact O-N 3.36Å
542I69.1Low66.6Low73 Ų7395.7 Ų95.737%0.37452%0.515SS..Hα-helixtrans-58.3-46.3174.5-75.9164.6000110.9K538 A539 Q544 V545 L546 I571K538-I542 WeakPolarHBondContact O-CB 3.41Å; K538-I542 WeakPolarHBondContact O-CD1 3.35Å; K538-I542 WeakPolarHBondContact O-CG1 3.47Å; K538-I542 PolarHBondContact O-N 2.83Å; A539-I542 PolarHBondContact O-N 3.25Å; I542-Q544 VanDerWaalsContact C-N 3.31Å; I542-Q544 PolarHBondContact O-N 3.33Å; I542-V545 PolarHBondContact O-N 2.86Å; I542-L546 PolarHBondContact O-N 3.06Å; I542-I571 HydrophobicContact CB-CD1 4.4Å; I542-I571 HydrophobicContact CG1-CD1 4.1Å; I542-I571 HydrophobicContact CG1-CG1 4.49Å; I542-I571 HydrophobicContact CG2-CD1 4.03Å; I542-I571 HydrophobicContact CG2-CG1 4.28Å; I542-I571 HydrophobicContact CG2-CG2 3.93Å
543M68.2Low67Low124 Ų12493 Ų9361%0.61150%0.498SS*.Hα-helixtrans-70.1-28.1-179.6-158.1172.370.400112.6A539 A540 L541 Q547A539-M543 WeakPolarHBondContact O-CB 3.34Å; A539-M543 PolarHBondContact O-N 2.98Å; A540-M543 PolarHBondContact O-N 3.47Å; L541-M543 VanDerWaalsContact C-N 3.35Å; L541-M543 PolarHBondContact O-N 3.46Å; M543-Q547 WeakPolarHBondContact O-CG 3.39Å; M543-Q547 PolarHBondContact O-N 3.45Å; M543-Q547 PolarHBondContact O-NE2 3.5Å
544Q66.5Low67.7Low129 Ų12990.3 Ų90.360%0.60349%0.485SS*.Hα-helixtrans-72.7-43.9172-168.5171.692.200111.4A540 L541 I542 L546 Q547 L548A540-Q544 WeakPolarHBondContact O-CB 3.44Å; A540-Q544 PolarHBondContact O-N 2.98Å; L541-Q544 PolarHBondContact O-N 3.05Å; I542-Q544 VanDerWaalsContact C-N 3.31Å; I542-Q544 PolarHBondContact O-N 3.33Å; Q544-L546 VanDerWaalsContact C-N 3.3Å; Q544-L546 PolarHBondContact O-N 3.16Å; Q544-Q547 PolarHBondContact O-N 3.47Å; Q544-L548 PolarHBondContact O-N 3.23Å
545V71Confident68.8Low17 Ų1791.2 Ų91.210%0.10349%0.491CS..Hα-helixtrans-61.3-36.5174.9167.40000112.1L541 I542 I564 L567 K568 I571L541-V545 WeakPolarHBondContact O-CG2 3.41Å; L541-V545 PolarHBondContact O-N 3.36Å; I542-V545 PolarHBondContact O-N 2.86Å; V545-I564 HydrophobicContact CG1-CD1 4.31Å; V545-I564 HydrophobicContact CG1-CG2 4.35Å; V545-I564 HydrophobicContact CG2-CD1 3.9Å; V545-L567 HydrophobicContact CG1-CB 4.49Å; V545-K568 HydrophobicContact CG1-CD 4.39Å; V545-K568 HydrophobicContact CG1-CG 3.68Å; V545-K568 WeakPolarHBondContact O-CD 3.28Å; V545-K568 PolarHBondContact O-NZ 2.84Å; V545-I571 HydrophobicContact CG1-CD1 4.38Å
546L68.9Low69.4Low96 Ų9689.9 Ų89.950%0.50348%0.484SS..Hα-helixtrans-66.3-40.1175.4-135.181.3000112.2I542 Q544 L548 K568 I571I542-L546 PolarHBondContact O-N 3.06Å; Q544-L546 VanDerWaalsContact C-N 3.3Å; Q544-L546 PolarHBondContact O-N 3.16Å; L546-L548 VanDerWaalsContact C-N 3.34Å; L546-L548 PolarHBondContact O-N 3Å; L546-K568 PolarHBondContact O-NZ 2.88Å; L546-I571 HydrophobicContact CD1-CB 4.48Å; L546-I571 HydrophobicContact CD1-CG2 3.78Å
547Q69.9Low70.2Confident139 Ų13987 Ų8765%0.6548%0.477SS*.Hα-helixtrans-73.7-15.1-179.6-79.1173.290.200114.9M543 Q544 T549M543-Q547 WeakPolarHBondContact O-CG 3.39Å; M543-Q547 PolarHBondContact O-N 3.45Å; M543-Q547 PolarHBondContact O-NE2 3.5Å; Q544-Q547 PolarHBondContact O-N 3.47Å; Q547-T549 PolarHBondContact O-N 3.42Å; Q547-T549 VanDerWaalsContact O-N 3.17Å
548L72.1Confident70.5Confident40 Ų4084.9 Ų84.921%0.20947%0.474CS..  trans-59.6119.4174.2-71.1172.9000111.1Q544 L546 Q552 I553 I564 K568Q544-L548 PolarHBondContact O-N 3.23Å; L546-L548 VanDerWaalsContact C-N 3.34Å; L546-L548 PolarHBondContact O-N 3Å; L548-Q552 HydrophobicContact CD2-CB 4.38Å; L548-I553 HydrophobicContact CB-CD1 4.11Å; L548-I553 HydrophobicContact CB-CG1 4Å; L548-I564 HydrophobicContact CD1-CG2 4.3Å; L548-K568 PolarHBondContact O-NZ 2.96Å
549T74.7Confident70.7Confident73 Ų7386 Ų8645%0.44848%0.482SS..  trans-70.6156175.858.50000111.2Q547 D551 Q552 I553Q547-T549 PolarHBondContact O-N 3.42Å; Q547-T549 VanDerWaalsContact O-N 3.17Å; T549-D551 PolarHBondContact O-N 2.9Å; T549-D551 VanDerWaalsContact O-N 3.16Å; T549-Q552 PolarHBondContact O-N 3.09Å; T549-I553 WeakPolarHBondContact O-CG1 3.48Å; T549-I553 PolarHBondContact O-N 2.9Å; T549-I553 VanDerWaalsContact O-N 3.09Å
550A67.8Low71.1Confident85 Ų8588.7 Ų88.770%0.70249%0.486SS*.Hα-helixtrans-57-31.8-179.400000113.1I553 A554A550-I553 PolarHBondContact O-N 3.35Å; A550-A554 PolarHBondContact O-N 3.46Å
551D71.6Confident71.3Confident115 Ų11590.3 Ų90.362%0.61548%0.48SS*.Hα-helixtrans-69.7-45.7178.1-161.6-104.6000112.2T549 I553 A554 M555T549-D551 PolarHBondContact O-N 2.9Å; T549-D551 VanDerWaalsContact O-N 3.16Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 3.32Å; D551-A554 WeakPolarHBondContact O-CA 3.38Å; D551-A554 WeakPolarHBondContact O-CB 3.49Å; D551-A554 PolarHBondContact O-N 2.92Å; D551-M555 PolarHBondContact O-N 2.87Å; D551-M555 VanDerWaalsContact O-N 3.12Å
552Q67.6Low71.5Confident100 Ų10092.2 Ų92.247%0.46749%0.486SS..Hα-helixtrans-62.5-35.6173.7-69.9174.934.100111.9L548 T549 A554 M555 L556L548-Q552 HydrophobicContact CD2-CB 4.38Å; T549-Q552 PolarHBondContact O-N 3.09Å; Q552-A554 VanDerWaalsContact C-N 3.27Å; Q552-A554 PolarHBondContact O-N 3.17Å; Q552-M555 PolarHBondContact O-N 3.39Å; Q552-L556 PolarHBondContact O-N 2.89Å
553I70.3Confident71.7Confident19 Ų1991.7 Ų91.710%0.09749%0.489CS..Hα-helixtrans-66.8-29.3174.1-64.9167.6000111.5L548 T549 A550 D551 R561 I564 K568L548-I553 HydrophobicContact CB-CD1 4.11Å; L548-I553 HydrophobicContact CB-CG1 4Å; T549-I553 WeakPolarHBondContact O-CG1 3.48Å; T549-I553 PolarHBondContact O-N 2.9Å; T549-I553 VanDerWaalsContact O-N 3.09Å; A550-I553 PolarHBondContact O-N 3.35Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 3.32Å; I553-R561 HydrophobicContact CG2-CG 3.8Å; I553-R561 PolarHBondContact O-NE 3.04Å; I553-I564 HydrophobicContact CD1-CG2 4.39Å; I553-I564 HydrophobicContact CG1-CG2 4.31Å; I553-K568 HydrophobicContact CD1-CD 4.02Å
554A72.1Confident72.1Confident56 Ų5687 Ų8746%0.46347%0.466SS..Hα-helixtrans-77.1-20.5174.300000113.8A550 D551 Q552 R561A550-A554 PolarHBondContact O-N 3.46Å; D551-A554 WeakPolarHBondContact O-CA 3.38Å; D551-A554 WeakPolarHBondContact O-CB 3.49Å; D551-A554 PolarHBondContact O-N 2.92Å; Q552-A554 VanDerWaalsContact C-N 3.27Å; Q552-A554 PolarHBondContact O-N 3.17Å; A554-R561 PolarHBondContact O-NH2 3.49Å
555M74.4Confident72.7Confident161 Ų16185.8 Ų85.879%0.79346%0.463SS*.Hα-helixtrans-82.5-16.9172.4-61.2-165.3112.900113.7D551 Q552D551-M555 PolarHBondContact O-N 2.87Å; D551-M555 VanDerWaalsContact O-N 3.12Å; Q552-M555 PolarHBondContact O-N 3.39Å
556L75.4Confident73.1Confident56 Ų5689.4 Ų89.429%0.29348%0.481SS..SBendtrans-73.3147.2176.4-69.8172.3000112.3Q552 Q560 R561 I564Q552-L556 PolarHBondContact O-N 2.89Å; L556-Q560 HydrophobicContact CB-CB 4.47Å; L556-R561 PolarHBondContact O-NH2 3.05Å; L556-I564 HydrophobicContact CD1-CG1 4.34Å
557P79.8Confident73.3Confident74 Ų7488.6 Ų88.648%0.48148%0.477SS..  trans-60.6152.8174.325.2-33000111.4E559 Q560 R561P557-E559 VanDerWaalsContact C-N 3.33Å; P557-E559 PolarHBondContact O-N 3.45Å; P557-Q560 HydrophobicContact CG-CB 4.03Å; P557-Q560 HydrophobicContact CG-CG 3.84Å; P557-Q560 PolarHBondContact O-N 3.35Å; P557-Q560 VanDerWaalsContact O-N 3.1Å; P557-R561 PolarHBondContact O-N 3.17Å
558P72.5Confident73.6Confident91 Ų9184.1 Ų84.159%0.59146%0.455SS*.Hα-helixtrans-59.6-37.7-164.221.3-33.2000114R561 Q562P558-R561 WeakPolarHBondContact O-CB 3.27Å; P558-R561 PolarHBondContact O-N 3.49Å; P558-Q562 PolarHBondContact O-N 3.23Å
559E69.6Low73.9Confident153 Ų15387.3 Ų87.372%0.71547%0.469SS*.Hα-helixtrans-66.8-42.6178.6-61.4-179.792.300112.2P557 Q562 S563P557-E559 VanDerWaalsContact C-N 3.33Å; P557-E559 PolarHBondContact O-N 3.45Å; E559-Q562 PolarHBondContact O-N 3.01Å; E559-S563 PolarHBondContact O-N 2.99Å; E559-S563 PolarHBondContact O-OG 2.92Å
560Q70.5Confident73.6Confident108 Ų10889.3 Ų89.351%0.50547%0.473SS..Hα-helixtrans-67.6-38.8175.3-66.6-64.3-5200110.7L556 P557 Q562 S563 I564L556-Q560 HydrophobicContact CB-CB 4.47Å; P557-Q560 HydrophobicContact CG-CB 4.03Å; P557-Q560 HydrophobicContact CG-CG 3.84Å; P557-Q560 PolarHBondContact O-N 3.35Å; P557-Q560 VanDerWaalsContact O-N 3.1Å; Q560-Q562 PolarHBondContact O-N 3.39Å; Q560-S563 PolarHBondContact O-N 3.47Å; Q560-I564 WeakPolarHBondContact O-CB 3.44Å; Q560-I564 VanDerWaalsContact O-CG1 3.28Å; Q560-I564 WeakPolarHBondContact O-CG1 3.31Å; Q560-I564 PolarHBondContact O-N 3.21Å
561R76.1Confident73.8Confident91 Ų9186.4 Ų86.434%0.34345%0.445SS..Hα-helixtrans-57.8-49.6174.4-174.5-179.5-53.2162.215.2111.6I553 A554 L556 P557 P558 I564 L565I553-R561 HydrophobicContact CG2-CG 3.8Å; I553-R561 PolarHBondContact O-NE 3.04Å; A554-R561 PolarHBondContact O-NH2 3.49Å; L556-R561 PolarHBondContact O-NH2 3.05Å; P557-R561 PolarHBondContact O-N 3.17Å; P558-R561 WeakPolarHBondContact O-CB 3.27Å; P558-R561 PolarHBondContact O-N 3.49Å; R561-I564 PolarHBondContact O-N 3.21Å; R561-L565 WeakPolarHBondContact O-CB 3.49Å; R561-L565 PolarHBondContact O-N 2.97Å
562Q73.4Confident73.6Confident137 Ų13788.1 Ų88.164%0.6445%0.45SS*.Hα-helixtrans-62.9-43.4178.4-70.2-169.3-84.700111.6P558 E559 Q560 I564 L565 I566P558-Q562 PolarHBondContact O-N 3.23Å; E559-Q562 PolarHBondContact O-N 3.01Å; Q560-Q562 PolarHBondContact O-N 3.39Å; Q562-I564 PolarHBondContact O-N 2.96Å; Q562-L565 PolarHBondContact O-N 3.4Å; Q562-I566 WeakPolarHBondContact O-CB 3.39Å; Q562-I566 WeakPolarHBondContact O-CD1 3.23Å; Q562-I566 VanDerWaalsContact O-CG1 3.23Å; Q562-I566 WeakPolarHBondContact O-CG1 3.43Å; Q562-I566 PolarHBondContact O-N 3.38Å
563S73.3Confident73.8Confident61 Ų6190.5 Ų90.543%0.42746%0.458SS..Hα-helixtrans-59.2-46177.2-57.30000112.3E559 Q560 I566 L567E559-S563 PolarHBondContact O-N 2.99Å; E559-S563 PolarHBondContact O-OG 2.92Å; Q560-S563 PolarHBondContact O-N 3.47Å; S563-I566 PolarHBondContact O-N 3.25Å; S563-L567 WeakPolarHBondContact O-CB 3.44Å; S563-L567 PolarHBondContact O-N 3.21Å
564I77.2Confident73.4Confident25 Ų2594.8 Ų94.813%0.12849%0.49CS..Hα-helixtrans-66.8-38.1177.7-69.6-69000111.9V545 L548 I553 L556 Q560 R561 Q562 L567 K568V545-I564 HydrophobicContact CG1-CD1 4.31Å; V545-I564 HydrophobicContact CG1-CG2 4.35Å; V545-I564 HydrophobicContact CG2-CD1 3.9Å; L548-I564 HydrophobicContact CD1-CG2 4.3Å; I553-I564 HydrophobicContact CD1-CG2 4.39Å; I553-I564 HydrophobicContact CG1-CG2 4.31Å; L556-I564 HydrophobicContact CD1-CG1 4.34Å; Q560-I564 WeakPolarHBondContact O-CB 3.44Å; Q560-I564 VanDerWaalsContact O-CG1 3.28Å; Q560-I564 WeakPolarHBondContact O-CG1 3.31Å; Q560-I564 PolarHBondContact O-N 3.21Å; R561-I564 PolarHBondContact O-N 3.21Å; Q562-I564 PolarHBondContact O-N 2.96Å; I564-L567 PolarHBondContact O-N 3.28Å; I564-K568 HydrophobicContact CG2-CD 4.29Å; I564-K568 WeakPolarHBondContact O-CG 3.45Å; I564-K568 PolarHBondContact O-N 2.96Å
565L77.6Confident72.9Confident104 Ų10497.3 Ų97.355%0.54550%0.5SS..Hα-helixtrans-67.7-41.8178.1-132.6140.2000111.6R561 Q562 K568 E569R561-L565 WeakPolarHBondContact O-CB 3.49Å; R561-L565 PolarHBondContact O-N 2.97Å; Q562-L565 PolarHBondContact O-N 3.4Å; L565-K568 PolarHBondContact O-N 2.7Å; L565-E569 PolarHBondContact O-N 3.24Å
566I79.7Confident71.6Confident94 Ų9492.6 Ų92.648%0.48249%0.493SS..Hα-helixtrans-65-41.3174-65.8163.3000110.6Q562 S563 E569 Q570Q562-I566 WeakPolarHBondContact O-CB 3.39Å; Q562-I566 WeakPolarHBondContact O-CD1 3.23Å; Q562-I566 VanDerWaalsContact O-CG1 3.23Å; Q562-I566 WeakPolarHBondContact O-CG1 3.43Å; Q562-I566 PolarHBondContact O-N 3.38Å; S563-I566 PolarHBondContact O-N 3.25Å; I566-E569 PolarHBondContact O-N 3.24Å; I566-Q570 WeakPolarHBondContact O-CG 3.43Å; I566-Q570 PolarHBondContact O-N 3.39Å
567L73.4Confident69.6Low79 Ų7993.9 Ų93.941%0.41451%0.512SS..Hα-helixtrans-61.6-47.9174.1-117.276.6000111.4V545 S563 I564 E569 Q570 I571V545-L567 HydrophobicContact CG1-CB 4.49Å; S563-L567 WeakPolarHBondContact O-CB 3.44Å; S563-L567 PolarHBondContact O-N 3.21Å; I564-L567 PolarHBondContact O-N 3.28Å; L567-E569 VanDerWaalsContact C-N 3.31Å; L567-E569 PolarHBondContact O-N 3.12Å; L567-Q570 PolarHBondContact O-N 2.81Å; L567-I571 HydrophobicContact CB-CD1 4.36Å; L567-I571 HydrophobicContact CG-CD1 4.47Å; L567-I571 WeakPolarHBondContact O-CB 3.18Å; L567-I571 VanDerWaalsContact O-CD1 3.31Å; L567-I571 WeakPolarHBondContact O-CD1 3.17Å; L567-I571 WeakPolarHBondContact O-CG1 3.38Å; L567-I571 PolarHBondContact O-N 3.33Å
568K75.7Confident67.7Low45 Ų45100 Ų10020%0.19655%0.551CS.*Hα-helixtrans-59.5-41.3177.3-73.3-178.382.5131.80111.3V545 L546 L548 I553 I564 L565 Q572V545-K568 HydrophobicContact CG1-CD 4.39Å; V545-K568 HydrophobicContact CG1-CG 3.68Å; V545-K568 WeakPolarHBondContact O-CD 3.28Å; V545-K568 PolarHBondContact O-NZ 2.84Å; L546-K568 PolarHBondContact O-NZ 2.88Å; L548-K568 PolarHBondContact O-NZ 2.96Å; I553-K568 HydrophobicContact CD1-CD 4.02Å; I564-K568 HydrophobicContact CG2-CD 4.29Å; I564-K568 WeakPolarHBondContact O-CG 3.45Å; I564-K568 PolarHBondContact O-N 2.96Å; L565-K568 PolarHBondContact O-N 2.7Å; K568-Q572 WeakPolarHBondContact O-CB 3.48Å; K568-Q572 PolarHBondContact O-N 2.91Å
569E79.1Confident67.5Low106 Ų106100.5 Ų100.550%0.49555%0.55SS..Hα-helixtrans-65.4-43.9175.4-165.8-169.2111.200112.4L565 I566 L567 Q572 K573L565-E569 PolarHBondContact O-N 3.24Å; I566-E569 PolarHBondContact O-N 3.24Å; L567-E569 VanDerWaalsContact C-N 3.31Å; L567-E569 PolarHBondContact O-N 3.12Å; E569-Q572 PolarHBondContact O-N 2.72Å; E569-K573 WeakPolarHBondContact O-CB 3.44Å; E569-K573 PolarHBondContact O-N 3.27Å; E569-K573 IonicContact OE1-NZ 2.72Å; E569-K573 PolarHBondContact OE1-NZ 3.13Å
570Q68.8Low67.4Low116 Ų11697.7 Ų97.754%0.54254%0.541SS..Hα-helixtrans-63.7-45.4177-75.4-175.316.300111.8I566 L567 Q572 K573 S574I566-Q570 WeakPolarHBondContact O-CG 3.43Å; I566-Q570 PolarHBondContact O-N 3.39Å; L567-Q570 PolarHBondContact O-N 2.81Å; Q570-Q572 VanDerWaalsContact C-N 3.35Å; Q570-Q572 PolarHBondContact O-N 2.88Å; Q570-K573 PolarHBondContact O-N 3.43Å; Q570-S574 WeakPolarHBondContact O-CB 3.45Å; Q570-S574 PolarHBondContact O-N 3.49Å; Q570-S574 PolarHBondContact O-OG 2.88Å
571I71.1Confident67.2Low23 Ų2397.2 Ų97.212%0.11854%0.543CS..Hα-helixtrans-61.3-45176.2-65.7157.5000109.8I542 V545 L546 L567 K573 S574 T575I542-I571 HydrophobicContact CB-CD1 4.4Å; I542-I571 HydrophobicContact CG1-CD1 4.1Å; I542-I571 HydrophobicContact CG1-CG1 4.49Å; I542-I571 HydrophobicContact CG2-CD1 4.03Å; I542-I571 HydrophobicContact CG2-CG1 4.28Å; I542-I571 HydrophobicContact CG2-CG2 3.93Å; V545-I571 HydrophobicContact CG1-CD1 4.38Å; L546-I571 HydrophobicContact CD1-CB 4.48Å; L546-I571 HydrophobicContact CD1-CG2 3.78Å; L567-I571 HydrophobicContact CB-CD1 4.36Å; L567-I571 HydrophobicContact CG-CD1 4.47Å; L567-I571 WeakPolarHBondContact O-CB 3.18Å; L567-I571 VanDerWaalsContact O-CD1 3.31Å; L567-I571 WeakPolarHBondContact O-CD1 3.17Å; L567-I571 WeakPolarHBondContact O-CG1 3.38Å; L567-I571 PolarHBondContact O-N 3.33Å; I571-K573 VanDerWaalsContact C-N 3.34Å; I571-K573 PolarHBondContact O-N 3.38Å; I571-S574 PolarHBondContact O-N 3.28Å; I571-S574 VanDerWaalsContact O-N 3.16Å; I571-T575 VanDerWaalsContact O-CB 3.3Å; I571-T575 WeakPolarHBondContact O-CB 3.3Å; I571-T575 PolarHBondContact O-N 3.16Å; I571-T575 PolarHBondContact O-OG1 2.81Å
572Q67.9Low66.7Low151 Ų15197.5 Ų97.571%0.70656%0.555SS**Hα-helixtrans-66-33.2178.4-171.4172.3-12.600112.8K568 E569 Q570K568-Q572 WeakPolarHBondContact O-CB 3.48Å; K568-Q572 PolarHBondContact O-N 2.91Å; E569-Q572 PolarHBondContact O-N 2.72Å; Q570-Q572 VanDerWaalsContact C-N 3.35Å; Q570-Q572 PolarHBondContact O-N 2.88Å
573K71.3Confident66.2Low150 Ų15095.1 Ų95.165%0.65255%0.549SS*.Hα-helixtrans-68.5-39.1169.3-89170.8173.9158.20112.8E569 Q570 I571E569-K573 WeakPolarHBondContact O-CB 3.44Å; E569-K573 PolarHBondContact O-N 3.27Å; E569-K573 IonicContact OE1-NZ 2.72Å; E569-K573 PolarHBondContact OE1-NZ 3.13Å; Q570-K573 PolarHBondContact O-N 3.43Å; I571-K573 VanDerWaalsContact C-N 3.34Å; I571-K573 PolarHBondContact O-N 3.38Å
574S62Low65.8Low110 Ų11097.3 Ų97.377%0.76956%0.557SS**Hα-helixtrans-78.8-27-179.4-69.80000114Q570 I571 G576Q570-S574 WeakPolarHBondContact O-CB 3.45Å; Q570-S574 PolarHBondContact O-N 3.49Å; Q570-S574 PolarHBondContact O-OG 2.88Å; I571-S574 PolarHBondContact O-N 3.28Å; I571-S574 VanDerWaalsContact O-N 3.16Å; S574-G576 VanDerWaalsContact C-N 3.29Å
575T62.6Low64.9Low108 Ų108102.5 Ų102.566%0.66359%0.588SS**THydrogen-bonded Turntrans-87.26.6175.6-69.30000112.6I571 A577I571-T575 VanDerWaalsContact O-CB 3.3Å; I571-T575 WeakPolarHBondContact O-CB 3.3Å; I571-T575 PolarHBondContact O-N 3.16Å; I571-T575 PolarHBondContact O-OG1 2.81Å; T575-A577 PolarHBondContact O-N 2.81Å
576G45.9Very low64Low62 Ų62102.4 Ų102.464%0.63959%0.591SS**  trans-60.489.6-177.800000114.8S574S574-G576 VanDerWaalsContact C-N 3.29Å
577A34.3Very low62.7Low84 Ų84103.1 Ų103.169%0.69460%0.6SS**  trans-83.8146.5145.200000108.7T575T575-A577 PolarHBondContact O-N 2.81Å
578P39.8Very low61.7Low203 Ų203105.3 Ų105.3100%1.31862%0.617SS**  trans-68.70-177.930.3-36.7000113.8

Retrieved 578 of 578 residues in 283.8 ms (Link to these results)

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