A0A096M2Y2_POEFO Loading...

DENN domain containing 1A

AlphaFold DB , UniProt , Accession A0A096M2Y2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 937 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
1M31.3Very low43.2Very low230 Ų230128.5 Ų128.5100%1.13370%0.698SS**  0107.10-72.5166.217500107.3
2D28.6Very low47.5Very low142 Ų142118.3 Ų118.376%0.75964%0.643SS**  cis-136.5134.14.7-65.7-46.9000112.3
3S31Very low51.4Low125 Ų125110.9 Ų110.987%0.87460%0.601SS**  trans-151.481.2168.6-165.50000107.1
4L32.7Very low54.7Low143 Ų143103 Ų10375%0.74956%0.558SS**  trans-110.2120.2179.7-81.8164.9000109.5
5T32.9Very low57.7Low123 Ų12399.7 Ų99.776%0.75554%0.536SS*.  trans50.566.2154.259.10000117
6I34.1Very low60.2Low168 Ų16894.1 Ų94.186%0.86251%0.506SS*.  trans-80.8121.5140.6-60.6178.1000106.4
7N33.1Very low62.5Low132 Ų13293.8 Ų93.871%0.70650%0.504SS*.  trans-56.6141.2179.8-77.4-40.7000111.4V9N7-V9 HydrophobicContact CB-CG2 3.94Å; N7-V9 PolarHBondContact O-N 2.74Å
8Q42.7Very low64.5Low168 Ų16892.8 Ų92.879%0.78550%0.502SS*.  trans-7354.9-179.5-63.3-175.4-3.700113G10Q8-G10 PolarHBondContact O-N 2.7Å
9V55.3Low66.2Low125 Ų12589.6 Ų89.676%0.75849%0.485SS*.  trans-76.497.8-178.1-1730000109.7N7N7-V9 HydrophobicContact CB-CG2 3.94Å; N7-V9 PolarHBondContact O-N 2.74Å
10G66.5Low67.7Low5 Ų593.3 Ų93.35%0.05250%0.502CS..PPolyproline II helixtrans-59.1135.9176.500000113Q8 N12 L31Q8-G10 PolarHBondContact O-N 2.7Å; G10-N12 PolarHBondContact O-N 2.82Å; G10-N12 PolarHBondContact O-ND2 2.92Å; G10-L31 CarbonylContact C-O 3.54Å; G10-L31 VanDerWaalsContact C-O 3.26Å; G10-L31 WeakPolarHBondContact CA-O 3.17Å
11Q86.6Confident68.9Low53 Ų5394.3 Ų94.325%0.24850%0.504CS..EExtended strand (participates in β ladder)trans-70.4129.6179.2-173.8169.453.700110.2L31 S147Q11-L31 HydrophobicContact CB-CB 4.48Å; Q11-L31 PolarHBondContact N-O 2.88Å; Q11-L31 PolarHBondContact O-N 3.41Å; Q11-S147 PolarHBondContact NE2-OG 3.4Å
12N95.3Very high71.9Confident6 Ų686.3 Ų86.33%0.03247%0.47CS..EExtended strand (participates in β ladder)trans-103.9134.9175.7-74.6-110.7000109.7G10 C29 Y52 R112 S147G10-N12 PolarHBondContact O-N 2.82Å; G10-N12 PolarHBondContact O-ND2 2.92Å; N12-C29 WeakPolarHBondContact CA-O 3.47Å; N12-Y52 HydrophobicContact CB-CD1 3.71Å; N12-Y52 HydrophobicContact CB-CE1 3.75Å; N12-Y52 HydrophobicContact CB-CG 4.25Å; N12-Y52 VanDerWaalsContact OD1-CD1 3.24Å; N12-Y52 WeakPolarHBondContact OD1-CD1 3.24Å; N12-R112 VanDerWaalsContact CB-NH1 3.28Å; N12-S147 WeakPolarHBondContact O-CA 3.47Å; N12-S147 WeakPolarHBondContact O-CB 3.3Å
13F97.7Very high75Confident22 Ų2281.4 Ų81.410%0.09644%0.442CS..EExtended strand (participates in β ladder)trans-148.8164.5176.569.4-86.7000110.3F15 C29 L31 L146 T150 V172F13-F15 HydrophobicContact CE2-CD1 4.17Å; F13-C29 HydrophobicContact CD1-CB 3.72Å; F13-C29 HydrophobicContact CD2-CB 4.1Å; F13-C29 HydrophobicContact CE1-CB 3.44Å; F13-C29 VanDerWaalsContact CE1-CB 3.44Å; F13-C29 HydrophobicContact CE2-CB 3.85Å; F13-C29 HydrophobicContact CG-CB 4.04Å; F13-C29 HydrophobicContact CZ-CB 3.51Å; F13-C29 PolarHBondContact N-O 3.16Å; F13-C29 VanDerWaalsContact N-O 3.09Å; F13-C29 WeakPolarHBondContact O-CB 3.25Å; F13-C29 PolarHBondContact O-N 3.1Å; F13-L31 HydrophobicContact CE1-CB 4.31Å; F13-L146 HydrophobicContact CB-CB 3.78Å; F13-L146 WeakPolarHBondContact CB-O 3.5Å; F13-L146 HydrophobicContact CD1-CB 3.91Å; F13-L146 HydrophobicContact CD1-CD1 3.98Å; F13-L146 HydrophobicContact CD2-CB 4.36Å; F13-L146 HydrophobicContact CE1-CD1 3.82Å; F13-L146 HydrophobicContact CE2-CD1 4.47Å; F13-L146 HydrophobicContact CG-CB 3.78Å; F13-L146 HydrophobicContact CG-CD1 4.38Å; F13-L146 HydrophobicContact CZ-CD1 4.09Å; F13-T150 HydrophobicContact CB-CG2 4.18Å; F13-T150 HydrophobicContact CD2-CG2 4.33Å; F13-V172 HydrophobicContact CD2-CG1 4.26Å; F13-V172 HydrophobicContact CE2-CG1 4.34Å
14T98.7Very high78.2Confident0 Ų077.6 Ų77.60%041%0.411CS..EExtended strand (participates in β ladder)trans-133.9109.2176.8-61.90000111.8F26 G27 F28 F48 Y52 T150 H154T14-F26 HydrophobicContact CG2-CB 3.9Å; T14-F26 HydrophobicContact CG2-CD1 4.15Å; T14-G27 WeakPolarHBondContact CA-O 3.24Å; T14-F28 HydrophobicContact CG2-CD1 3.82Å; T14-F28 HydrophobicContact CG2-CE1 3.94Å; T14-F28 HydrophobicContact CG2-CG 4.39Å; T14-F28 VanDerWaalsContact OG1-CD1 3.25Å; T14-F28 WeakPolarHBondContact OG1-CD1 3.32Å; T14-F48 HydrophobicContact CG2-CD1 4.2Å; T14-F48 HydrophobicContact CG2-CE1 3.67Å; T14-Y52 PolarHBondContact N-OH 2.7Å; T14-Y52 PolarHBondContact OG1-OH 2.72Å; T14-T150 PolarHBondContact N-OG1 3.31Å; T14-T150 WeakPolarHBondContact O-CB 3.39Å; T14-T150 WeakPolarHBondContact O-CG2 3.4Å; T14-H154 PolarHBondContact O-NE2 3.49Å
15F98.6Very high81.3Confident53 Ų5375.5 Ų75.523%0.23239%0.393CS..EExtended strand (participates in β ladder)trans-78.8166.7167.969.4-97.8000110.8F13 L17 G27 C29 L42 V172F13-F15 HydrophobicContact CE2-CD1 4.17Å; F15-L17 HydrophobicContact CD2-CD2 4.12Å; F15-L17 HydrophobicContact CD2-CG 4.09Å; F15-L17 HydrophobicContact CE2-CD1 4.07Å; F15-L17 HydrophobicContact CE2-CD2 4.02Å; F15-L17 HydrophobicContact CE2-CG 3.77Å; F15-G27 WeakPolarHBondContact CD1-O 3.25Å; F15-G27 PolarHBondContact N-O 2.87Å; F15-G27 VanDerWaalsContact N-O 3.16Å; F15-G27 PolarHBondContact O-N 3.01Å; F15-C29 VanDerWaalsContact CD1-SG 3.57Å; F15-C29 WeakPolarHBondContact CE1-SG 3.36Å; F15-L42 HydrophobicContact CE2-CD1 4.37Å; F15-V172 HydrophobicContact CB-CG1 3.65Å
16V98.8Very high84.4Confident10 Ų1070.5 Ų70.56%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-128.5137.3172.1167.20000109.7Q24 R25 F26 Y169 P171V16-Q24 HydrophobicContact CG1-CB 3.7Å; V16-Q24 HydrophobicContact CG1-CG 3.87Å; V16-R25 CarbonylContact C-O 3.52Å; V16-R25 VanDerWaalsContact CA-O 3.3Å; V16-R25 WeakPolarHBondContact CA-O 3.44Å; V16-F26 HydrophobicContact CG2-CD1 3.58Å; V16-F26 HydrophobicContact CG2-CE1 3.82Å; V16-F26 HydrophobicContact CG2-CG 4.37Å; V16-Y169 HydrophobicContact CG1-CD1 4.44Å; V16-Y169 HydrophobicContact CG2-CE1 4.25Å; V16-P171 HydrophobicContact CB-CG 4.1Å; V16-P171 HydrophobicContact CG2-CG 3.95Å
17L98.5Very high87.5Confident89 Ų8962.5 Ų62.547%0.46632%0.32SS..EExtended strand (participates in β ladder)trans-105.9123.4163.5-54.5177.1000108F15 R25 L42F15-L17 HydrophobicContact CD2-CD2 4.12Å; F15-L17 HydrophobicContact CD2-CG 4.09Å; F15-L17 HydrophobicContact CE2-CD1 4.07Å; F15-L17 HydrophobicContact CE2-CD2 4.02Å; F15-L17 HydrophobicContact CE2-CG 3.77Å; L17-R25 HydrophobicContact CB-CB 4.39Å; L17-R25 PolarHBondContact N-O 2.9Å; L17-R25 PolarHBondContact O-N 3.42Å; L17-L42 HydrophobicContact CD1-CD1 4.27Å; L17-L42 HydrophobicContact CD1-CD2 4.42Å
18T97.9Very high90.6Very high76 Ų7656.2 Ų56.247%0.46629%0.286SS..EExtended strand (participates in β ladder)trans-89.1128.8176.6-56.40000109.2K23T18-K23 WeakPolarHBondContact CA-O 3.22Å
19D97Very high93.2Very high33 Ų3348.4 Ų48.418%0.17625%0.25CC..  trans-92-177179.270.826.1000113.7E21 S22 K23 Y44D19-E21 PolarHBondContact O-N 2.91Å; D19-E21 PolarHBondContact OD1-N 2.98Å; D19-S22 WeakPolarHBondContact O-CA 3.34Å; D19-S22 PolarHBondContact O-N 3.04Å; D19-S22 PolarHBondContact OD1-N 3.33Å; D19-K23 PolarHBondContact N-O 3.25Å; D19-K23 PolarHBondContact OD1-N 3.36Å; D19-Y44 VanDerWaalsContact OD2-CE1 3.28Å; D19-Y44 WeakPolarHBondContact OD2-CE1 3.47Å; D19-Y44 PolarHBondContact OD2-OH 3.41Å
20I96.1Very high95.2Very high163 Ų16343.9 Ų43.984%0.83622%0.219SC*.THydrogen-bonded Turntrans-66.9-18.2-176.2-164.1167.1000114S22I20-S22 VanDerWaalsContact C-N 3.33Å
21E94.6Very high96.5Very high114 Ų11445.1 Ų45.153%0.53323%0.225SC..THydrogen-bonded Turntrans-93.78.5171.8-70.7-167.1-176.500112.4D19 K23D19-E21 PolarHBondContact O-N 2.91Å; D19-E21 PolarHBondContact OD1-N 2.98Å; E21-K23 HydrophobicContact CB-CD 4.35Å; E21-K23 HydrophobicContact CB-CG 3.77Å; E21-K23 PolarHBondContact O-N 3.26Å; E21-K23 WeakPolarHBondContact OE2-CE 3.37Å; E21-K23 IonicContact OE2-NZ 2.75Å
22S93Very high96.6Very high62 Ų6243.8 Ų43.843%0.43422%0.221SC..SBendtrans6021.3-170.7-540000114.3D19 I20D19-S22 WeakPolarHBondContact O-CA 3.34Å; D19-S22 PolarHBondContact O-N 3.04Å; D19-S22 PolarHBondContact OD1-N 3.33Å; I20-S22 VanDerWaalsContact C-N 3.33Å
23K94.3Very high96Very high39 Ų3947.4 Ų47.417%0.1725%0.247CC..  trans-81.6152.3174.6-43.7-66.1-178170.10109.7T18 D19 E21 Y44 Y515T18-K23 WeakPolarHBondContact CA-O 3.22Å; D19-K23 PolarHBondContact N-O 3.25Å; D19-K23 PolarHBondContact OD1-N 3.36Å; E21-K23 HydrophobicContact CB-CD 4.35Å; E21-K23 HydrophobicContact CB-CG 3.77Å; E21-K23 PolarHBondContact O-N 3.26Å; E21-K23 WeakPolarHBondContact OE2-CE 3.37Å; E21-K23 IonicContact OE2-NZ 2.75Å; K23-Y44 HydrophobicContact CB-CE1 3.99Å; K23-Y515 PolarHBondContact NZ-O 3.15Å
24Q97.4Very high95Very high46 Ų4648.7 Ų48.722%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-96.9124-175-61.6-175.7200111.3V16 F26 Y44V16-Q24 HydrophobicContact CG1-CB 3.7Å; V16-Q24 HydrophobicContact CG1-CG 3.87Å; Q24-F26 HydrophobicContact CB-CE1 4.37Å; Q24-F26 HydrophobicContact CB-CE2 3.96Å; Q24-F26 HydrophobicContact CB-CZ 3.77Å; Q24-F26 VanDerWaalsContact OE1-CZ 3.32Å; Q24-Y44 WeakPolarHBondContact O-CD1 3.37Å
25R98.2Very high94.1Very high99 Ų9950.6 Ų50.637%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-99.4115.6164.4-61.2177.6-177.5178.40.1108.6V16 L17 L42 Y44V16-R25 CarbonylContact C-O 3.52Å; V16-R25 VanDerWaalsContact CA-O 3.3Å; V16-R25 WeakPolarHBondContact CA-O 3.44Å; L17-R25 HydrophobicContact CB-CB 4.39Å; L17-R25 PolarHBondContact N-O 2.9Å; L17-R25 PolarHBondContact O-N 3.42Å; R25-L42 HydrophobicContact CB-CD1 3.88Å; R25-L42 HydrophobicContact CB-CG 4.34Å; R25-Y44 HydrophobicContact CG-CD1 3.89Å; R25-Y44 HydrophobicContact CG-CD2 4.37Å; R25-Y44 HydrophobicContact CG-CE1 3.52Å; R25-Y44 HydrophobicContact CG-CE2 4.04Å; R25-Y44 HydrophobicContact CG-CG 4.32Å; R25-Y44 PolarHBondContact NE-OH 3.19Å; R25-Y44 PolarHBondContact NH2-OH 2.83Å
26F98.6Very high93.4Very high18 Ų1854 Ų548%0.07930%0.298CS..EExtended strand (participates in β ladder)trans-84.3118.2-179.2-58.3-86.5000110T14 V16 Q24 F28 L42 S43 P46 F48T14-F26 HydrophobicContact CG2-CB 3.9Å; T14-F26 HydrophobicContact CG2-CD1 4.15Å; V16-F26 HydrophobicContact CG2-CD1 3.58Å; V16-F26 HydrophobicContact CG2-CE1 3.82Å; V16-F26 HydrophobicContact CG2-CG 4.37Å; Q24-F26 HydrophobicContact CB-CE1 4.37Å; Q24-F26 HydrophobicContact CB-CE2 3.96Å; Q24-F26 HydrophobicContact CB-CZ 3.77Å; Q24-F26 VanDerWaalsContact OE1-CZ 3.32Å; F26-F28 HydrophobicContact CB-CD2 4.16Å; F26-F28 HydrophobicContact CB-CE1 4.02Å; F26-F28 HydrophobicContact CB-CE2 3.43Å; F26-F28 VanDerWaalsContact CB-CE2 3.43Å; F26-F28 HydrophobicContact CB-CZ 3.35Å; F26-F28 HydrophobicContact CG-CE2 4.45Å; F26-F28 HydrophobicContact CG-CZ 4.01Å; F26-F28 PolarHBondContact O-N 3.4Å; F26-L42 WeakPolarHBondContact O-CA 3.38Å; F26-S43 PolarHBondContact N-O 2.96Å; F26-S43 PolarHBondContact O-N 2.94Å; F26-P46 HydrophobicContact CD2-CB 4.27Å; F26-P46 HydrophobicContact CE2-CB 3.83Å; F26-P46 HydrophobicContact CZ-CB 3.96Å; F26-F48 HydrophobicContact CD1-CE1 4.42Å; F26-F48 AromaticContact CD1-CZ 3.96Å; F26-F48 HydrophobicContact CD1-CZ 3.96Å; F26-F48 HydrophobicContact CE1-CZ 4.08Å
27G98.6Very high93Very high0 Ų056.8 Ų56.80%032%0.315CS..EExtended strand (participates in β ladder)trans-93.286.2172.500000110.1T14 F15 C29T14-G27 WeakPolarHBondContact CA-O 3.24Å; F15-G27 WeakPolarHBondContact CD1-O 3.25Å; F15-G27 PolarHBondContact N-O 2.87Å; F15-G27 VanDerWaalsContact N-O 3.16Å; F15-G27 PolarHBondContact O-N 3.01Å; G27-C29 PolarHBondContact O-N 3.28Å; G27-C29 PolarHBondContact O-SG 3.43Å; G27-C29 VanDerWaalsContact O-SG 3.39Å
28F98.5Very high92.8Very high0 Ų055.7 Ų55.70%031%0.314CS..EExtended strand (participates in β ladder)trans-71.3123.5177.6-55.3-81.7000108.9T14 F26 C40 I41 L45 F48 F51 L55T14-F28 HydrophobicContact CG2-CD1 3.82Å; T14-F28 HydrophobicContact CG2-CE1 3.94Å; T14-F28 HydrophobicContact CG2-CG 4.39Å; T14-F28 VanDerWaalsContact OG1-CD1 3.25Å; T14-F28 WeakPolarHBondContact OG1-CD1 3.32Å; F26-F28 HydrophobicContact CB-CD2 4.16Å; F26-F28 HydrophobicContact CB-CE1 4.02Å; F26-F28 HydrophobicContact CB-CE2 3.43Å; F26-F28 VanDerWaalsContact CB-CE2 3.43Å; F26-F28 HydrophobicContact CB-CZ 3.35Å; F26-F28 HydrophobicContact CG-CE2 4.45Å; F26-F28 HydrophobicContact CG-CZ 4.01Å; F26-F28 PolarHBondContact O-N 3.4Å; F28-C40 CarbonylContact O-C 3.58Å; F28-C40 VanDerWaalsContact O-CA 3.26Å; F28-C40 WeakPolarHBondContact O-CA 3.24Å; F28-I41 WeakPolarHBondContact CD2-O 3.17Å; F28-I41 PolarHBondContact N-O 2.63Å; F28-I41 PolarHBondContact O-N 2.91Å; F28-L45 WeakPolarHBondContact CE2-O 3.26Å; F28-L45 VanDerWaalsContact CZ-O 3.31Å; F28-L45 WeakPolarHBondContact CZ-O 3.42Å; F28-F48 HydrophobicContact CD1-CD1 4.12Å; F28-F48 HydrophobicContact CE1-CB 4.22Å; F28-F48 AromaticContact CE1-CD1 3.6Å; F28-F48 HydrophobicContact CE1-CD1 3.6Å; F28-F48 HydrophobicContact CE1-CD2 4.44Å; F28-F48 HydrophobicContact CE1-CE1 4.02Å; F28-F48 AromaticContact CE1-CG 3.83Å; F28-F48 HydrophobicContact CE1-CG 3.83Å; F28-F51 HydrophobicContact CB-CB 3.84Å; F28-F51 HydrophobicContact CD1-CB 4Å; F28-F51 HydrophobicContact CD1-CD2 4.44Å; F28-F51 HydrophobicContact CD2-CB 3.73Å; F28-F51 AromaticContact CD2-CD2 3.52Å; F28-F51 HydrophobicContact CD2-CD2 3.52Å; F28-F51 HydrophobicContact CD2-CE2 4.31Å; F28-F51 AromaticContact CD2-CG 3.71Å; F28-F51 HydrophobicContact CD2-CG 3.71Å; F28-F51 HydrophobicContact CE1-CD2 4.23Å; F28-F51 HydrophobicContact CE2-CB 4.29Å; F28-F51 AromaticContact CE2-CD2 3.24Å; F28-F51 HydrophobicContact CE2-CD2 3.24Å; F28-F51 AromaticContact CE2-CE2 3.76Å; F28-F51 HydrophobicContact CE2-CE2 3.76Å; F28-F51 AromaticContact CE2-CG 3.95Å; F28-F51 HydrophobicContact CE2-CG 3.95Å; F28-F51 HydrophobicContact CG-CB 3.57Å; F28-F51 HydrophobicContact CG-CD2 4.13Å; F28-F51 HydrophobicContact CG-CG 4.1Å; F28-F51 AromaticContact CZ-CD2 3.64Å; F28-F51 HydrophobicContact CZ-CD2 3.64Å; F28-F51 HydrophobicContact CZ-CE2 4.27Å; F28-L55 HydrophobicContact CB-CD1 3.83Å; F28-L55 WeakPolarHBondContact O-CD1 3.29Å
29C97.8Very high92.7Very high3 Ų354.6 Ų54.62%0.0230%0.302CS..EExtended strand (participates in β ladder)trans-123.4144.2-173.1-66.60000112.6N12 F13 F15 G27 Y39 C40N12-C29 WeakPolarHBondContact CA-O 3.47Å; F13-C29 HydrophobicContact CD1-CB 3.72Å; F13-C29 HydrophobicContact CD2-CB 4.1Å; F13-C29 HydrophobicContact CE1-CB 3.44Å; F13-C29 VanDerWaalsContact CE1-CB 3.44Å; F13-C29 HydrophobicContact CE2-CB 3.85Å; F13-C29 HydrophobicContact CG-CB 4.04Å; F13-C29 HydrophobicContact CZ-CB 3.51Å; F13-C29 PolarHBondContact N-O 3.16Å; F13-C29 VanDerWaalsContact N-O 3.09Å; F13-C29 WeakPolarHBondContact O-CB 3.25Å; F13-C29 PolarHBondContact O-N 3.1Å; F15-C29 VanDerWaalsContact CD1-SG 3.57Å; F15-C29 WeakPolarHBondContact CE1-SG 3.36Å; G27-C29 PolarHBondContact O-N 3.28Å; G27-C29 PolarHBondContact O-SG 3.43Å; G27-C29 VanDerWaalsContact O-SG 3.39Å; C29-Y39 CarbonylContact C-O 3.52Å; C29-Y39 WeakPolarHBondContact CA-O 3.42Å; C29-C40 VanDerWaalsContact SG-SG 3.68Å
30R96Very high92.7Very high31 Ų3156.2 Ų56.212%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-126.2101.7165.4179.5-169.1-172.6-90.817.7108.8Y39 L55 N56 A59R30-Y39 PolarHBondContact N-O 3.43Å; R30-Y39 PolarHBondContact O-N 2.82Å; R30-L55 HydrophobicContact CB-CB 3.93Å; R30-L55 HydrophobicContact CB-CD1 4.49Å; R30-L55 VanDerWaalsContact CD-O 3.31Å; R30-L55 WeakPolarHBondContact CD-O 3.23Å; R30-N56 WeakPolarHBondContact CD-OD1 3.47Å; R30-N56 PolarHBondContact NE-OD1 2.95Å; R30-A59 VanDerWaalsContact CZ-CB 3.46Å
31L93.8Very high92.8Very high31 Ų3149.6 Ų49.616%0.16228%0.281CS..EExtended strand (participates in β ladder)trans-79.7134.6174.3-171.466000109.7G10 Q11 F13 A35 C38 L146G10-L31 CarbonylContact C-O 3.54Å; G10-L31 VanDerWaalsContact C-O 3.26Å; G10-L31 WeakPolarHBondContact CA-O 3.17Å; Q11-L31 HydrophobicContact CB-CB 4.48Å; Q11-L31 PolarHBondContact N-O 2.88Å; Q11-L31 PolarHBondContact O-N 3.41Å; F13-L31 HydrophobicContact CE1-CB 4.31Å; L31-A35 HydrophobicContact CD1-CB 4.06Å; L31-A35 HydrophobicContact CD2-CB 3.98Å; L31-A35 HydrophobicContact CG-CB 4.12Å; L31-C38 HydrophobicContact CD1-CB 3.96Å; L31-L146 HydrophobicContact CD2-CD1 4.49Å
32S89.3Confident92.9Very high25 Ų2548.3 Ų48.318%0.17528%0.278CS..PPolyproline II helixtrans-70.8165177.2690000112.5A35 T37S32-A35 WeakPolarHBondContact O-CA 3.45Å; S32-A35 PolarHBondContact O-N 3.38Å; S32-T37 WeakPolarHBondContact CB-OG1 3.25Å; S32-T37 PolarHBondContact N-O 2.92Å; S32-T37 PolarHBondContact OG-N 3.36Å; S32-T37 VanDerWaalsContact OG-N 3.15Å; S32-T37 PolarHBondContact OG-O 3.33Å; S32-T37 PolarHBondContact OG-OG1 2.87Å; S32-T37 VanDerWaalsContact OG-OG1 3.08Å
33S81.9Confident93.2Very high82 Ų8246.6 Ų46.657%0.57327%0.265SS*.THydrogen-bonded Turntrans-55.2146.5158.6-164.50000109.7A35S33-A35 PolarHBondContact O-N 3.15Å; S33-A35 VanDerWaalsContact O-N 3.16Å
34G78.1Confident93.3Very high48 Ų4850.1 Ų50.150%0.49528%0.278SS..THydrogen-bonded Turntrans68.7-1.5-171.100000115.7H36G34-H36 PolarHBondContact O-CE1 2.94Å; G34-H36 PolarHBondContact O-N 2.94Å; G34-H36 PolarHBondContact O-ND1 2.97Å; G34-H36 PolarHBondContact O-NE2 3.3Å
35A79.3Confident93.3Very high40 Ų4050 Ų5033%0.33128%0.279SS..SBendtrans60.30.8-178.400000117.2L31 S32 S33 T37 F555L31-A35 HydrophobicContact CD1-CB 4.06Å; L31-A35 HydrophobicContact CD2-CB 3.98Å; L31-A35 HydrophobicContact CG-CB 4.12Å; S32-A35 WeakPolarHBondContact O-CA 3.45Å; S32-A35 PolarHBondContact O-N 3.38Å; S33-A35 PolarHBondContact O-N 3.15Å; S33-A35 VanDerWaalsContact O-N 3.16Å; A35-T37 VanDerWaalsContact C-N 3.27Å; A35-T37 PolarHBondContact O-N 3.07Å; A35-F555 VanDerWaalsContact O-CZ 3.28Å; A35-F555 WeakPolarHBondContact O-CZ 3.44Å
36H83.7Confident93.2Very high124 Ų12447.7 Ų47.757%0.57428%0.277SS*.  trans-62.1-24.6-174.8-56.6-53.1000115.5G34 F555G34-H36 PolarHBondContact O-CE1 2.94Å; G34-H36 PolarHBondContact O-N 2.94Å; G34-H36 PolarHBondContact O-ND1 2.97Å; G34-H36 PolarHBondContact O-NE2 3.3Å; H36-F555 AromaticContact ND1-CD1 3.87Å; H36-F555 AromaticContact ND1-CG 3.97Å
37T90.5Very high93Very high69 Ų6947.6 Ų47.642%0.42328%0.276SS..  trans-134.2145.5179.163.50000111.1S32 A35S32-T37 WeakPolarHBondContact CB-OG1 3.25Å; S32-T37 PolarHBondContact N-O 2.92Å; S32-T37 PolarHBondContact OG-N 3.36Å; S32-T37 VanDerWaalsContact OG-N 3.15Å; S32-T37 PolarHBondContact OG-O 3.33Å; S32-T37 PolarHBondContact OG-OG1 2.87Å; S32-T37 VanDerWaalsContact OG-OG1 3.08Å; A35-T37 VanDerWaalsContact C-N 3.27Å; A35-T37 PolarHBondContact O-N 3.07Å
38C94.8Very high92.9Very high66 Ų6648.3 Ų48.345%0.44628%0.279SS..EExtended strand (participates in β ladder)trans-135121.4176.2-166.20000110.3L31L31-C38 HydrophobicContact CD1-CB 3.96Å
39Y94.6Very high92.7Very high54 Ų5450.7 Ų50.721%0.21229%0.29CS..EExtended strand (participates in β ladder)trans-89.8131.1173.5-61.4-102.6000108.1C29 R30 A59 T62C29-Y39 CarbonylContact C-O 3.52Å; C29-Y39 WeakPolarHBondContact CA-O 3.42Å; R30-Y39 PolarHBondContact N-O 3.43Å; R30-Y39 PolarHBondContact O-N 2.82Å; Y39-A59 HydrophobicContact CD1-CB 4.17Å; Y39-A59 HydrophobicContact CD2-CB 3.96Å; Y39-A59 HydrophobicContact CE1-CB 3.96Å; Y39-A59 HydrophobicContact CE2-CB 3.77Å; Y39-A59 HydrophobicContact CG-CB 4.17Å; Y39-T62 HydrophobicContact CE1-CG2 4.2Å; Y39-T62 WeakPolarHBondContact OH-CG2 3.31Å
40C97.5Very high92.6Very high66 Ų6651 Ų5145%0.44629%0.292SS..EExtended strand (participates in β ladder)trans-132.6137.8-177.6-172.20000112.3F28 C29F28-C40 CarbonylContact O-C 3.58Å; F28-C40 VanDerWaalsContact O-CA 3.26Å; F28-C40 WeakPolarHBondContact O-CA 3.24Å; C29-C40 VanDerWaalsContact SG-SG 3.68Å
41I97.8Very high92.6Very high25 Ų2549.9 Ų49.913%0.12829%0.288CS..EExtended strand (participates in β ladder)trans-118.2124.2165-64.6171.2000107.5F28 F51 L54 L55 L58F28-I41 WeakPolarHBondContact CD2-O 3.17Å; F28-I41 PolarHBondContact N-O 2.63Å; F28-I41 PolarHBondContact O-N 2.91Å; I41-F51 HydrophobicContact CB-CD1 4.37Å; I41-F51 HydrophobicContact CD1-CD1 3.92Å; I41-F51 HydrophobicContact CG2-CD1 3.77Å; I41-F51 HydrophobicContact CG2-CE1 3.93Å; I41-F51 HydrophobicContact CG2-CG 4.47Å; I41-L54 HydrophobicContact CD1-CB 4.34Å; I41-L55 HydrophobicContact CD1-CD2 4.12Å; I41-L55 HydrophobicContact CD1-CG 4.04Å; I41-L55 HydrophobicContact CG1-CD2 3.92Å; I41-L55 HydrophobicContact CG1-CG 4.29Å; I41-L58 HydrophobicContact CD1-CD1 4Å
42L98.3Very high92.7Very high87 Ų8748.9 Ų48.946%0.45528%0.282SS..EExtended strand (participates in β ladder)trans-99.8121.1174.1-172.968.6000109.6F15 L17 R25 F26F15-L42 HydrophobicContact CE2-CD1 4.37Å; L17-L42 HydrophobicContact CD1-CD1 4.27Å; L17-L42 HydrophobicContact CD1-CD2 4.42Å; R25-L42 HydrophobicContact CB-CD1 3.88Å; R25-L42 HydrophobicContact CB-CG 4.34Å; F26-L42 WeakPolarHBondContact O-CA 3.38Å
43S97.7Very high92.8Very high25 Ų2554.2 Ų54.218%0.17530%0.302CS..EExtended strand (participates in β ladder)trans-147.1152.4-179.2-176.60000112.5F26 L45F26-S43 PolarHBondContact N-O 2.96Å; F26-S43 PolarHBondContact O-N 2.94Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact OG-N 3.44Å; S43-L45 VanDerWaalsContact OG-N 3.1Å
44Y97.2Very high93.4Very high114 Ų11450.6 Ų50.645%0.44728%0.276SS..SBendtrans-77.6-14.3168.3-79.1-76.7000112.9D19 K23 Q24 R25D19-Y44 VanDerWaalsContact OD2-CE1 3.28Å; D19-Y44 WeakPolarHBondContact OD2-CE1 3.47Å; D19-Y44 PolarHBondContact OD2-OH 3.41Å; K23-Y44 HydrophobicContact CB-CE1 3.99Å; Q24-Y44 WeakPolarHBondContact O-CD1 3.37Å; R25-Y44 HydrophobicContact CG-CD1 3.89Å; R25-Y44 HydrophobicContact CG-CD2 4.37Å; R25-Y44 HydrophobicContact CG-CE1 3.52Å; R25-Y44 HydrophobicContact CG-CE2 4.04Å; R25-Y44 HydrophobicContact CG-CG 4.32Å; R25-Y44 PolarHBondContact NE-OH 3.19Å; R25-Y44 PolarHBondContact NH2-OH 2.83Å
45L96.4Very high94.1Very high42 Ų4248.4 Ų48.422%0.2225%0.253CS..SBendtrans-84.9120.9-177.2-62.7169000110F28 S43 W47 F51 I82F28-L45 WeakPolarHBondContact CE2-O 3.26Å; F28-L45 VanDerWaalsContact CZ-O 3.31Å; F28-L45 WeakPolarHBondContact CZ-O 3.42Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact OG-N 3.44Å; S43-L45 VanDerWaalsContact OG-N 3.1Å; L45-W47 HydrophobicContact CB-CD2 3.96Å; L45-W47 HydrophobicContact CB-CE3 4.4Å; L45-W47 HydrophobicContact CB-CG 4.19Å; L45-W47 HydrophobicContact CB-CZ2 4.49Å; L45-W47 HydrophobicContact CD1-CD2 4.4Å; L45-W47 HydrophobicContact CD1-CE3 4.2Å; L45-W47 HydrophobicContact CD1-CH2 3.76Å; L45-W47 HydrophobicContact CD1-CZ2 3.94Å; L45-W47 HydrophobicContact CD1-CZ3 3.89Å; L45-W47 HydrophobicContact CD2-CZ2 4.06Å; L45-W47 HydrophobicContact CG-CZ2 4.39Å; L45-W47 PolarHBondContact O-N 3.34Å; L45-F51 HydrophobicContact CB-CE2 4.2Å; L45-F51 WeakPolarHBondContact O-CE2 3.35Å; L45-I82 HydrophobicContact CD2-CG2 4.13Å
46P96Very high94.7Very high51 Ų5149.4 Ų49.433%0.33125%0.253SS..  trans-79.743.9-174.134.2-37.8000113F26 F48 I102F26-P46 HydrophobicContact CD2-CB 4.27Å; F26-P46 HydrophobicContact CE2-CB 3.83Å; F26-P46 HydrophobicContact CZ-CB 3.96Å; P46-F48 HydrophobicContact CB-CE2 4.15Å; P46-F48 WeakPolarHBondContact O-CD2 3.31Å; P46-F48 PolarHBondContact O-N 2.91Å; P46-I102 HydrophobicContact CG-CG2 4.28Å
47W96.1Very high95Very high16 Ų1646.2 Ų46.26%0.06124%0.239CC..  trans-93.261.7-172.2-56-17.7000112.5L45 E49 V50 F51 P83 F97 V99 P100L45-W47 HydrophobicContact CB-CD2 3.96Å; L45-W47 HydrophobicContact CB-CE3 4.4Å; L45-W47 HydrophobicContact CB-CG 4.19Å; L45-W47 HydrophobicContact CB-CZ2 4.49Å; L45-W47 HydrophobicContact CD1-CD2 4.4Å; L45-W47 HydrophobicContact CD1-CE3 4.2Å; L45-W47 HydrophobicContact CD1-CH2 3.76Å; L45-W47 HydrophobicContact CD1-CZ2 3.94Å; L45-W47 HydrophobicContact CD1-CZ3 3.89Å; L45-W47 HydrophobicContact CD2-CZ2 4.06Å; L45-W47 HydrophobicContact CG-CZ2 4.39Å; L45-W47 PolarHBondContact O-N 3.34Å; W47-E49 VanDerWaalsContact C-N 3.34Å; W47-E49 PolarHBondContact O-N 3.12Å; W47-V50 HydrophobicContact CB-CB 3.91Å; W47-V50 HydrophobicContact CB-CG2 3.99Å; W47-V50 PolarHBondContact O-N 3.37Å; W47-F51 HydrophobicContact CB-CD2 3.92Å; W47-F51 HydrophobicContact CB-CE2 3.83Å; W47-F51 HydrophobicContact CE3-CE2 4.27Å; W47-F51 HydrophobicContact CE3-CZ 4.28Å; W47-F51 HydrophobicContact CG-CE2 4.4Å; W47-F51 WeakPolarHBondContact O-CD2 3.3Å; W47-F51 PolarHBondContact O-N 2.78Å; W47-P83 HydrophobicContact CH2-CG 3.97Å; W47-F97 HydrophobicContact CE3-CE2 4.09Å; W47-F97 AromaticContact CZ3-CE2 3.77Å; W47-F97 HydrophobicContact CZ3-CE2 3.77Å; W47-F97 HydrophobicContact CZ3-CZ 4.07Å; W47-V99 HydrophobicContact CH2-CG1 4Å; W47-V99 HydrophobicContact CH2-CG2 4.49Å; W47-V99 HydrophobicContact CZ2-CG1 3.58Å; W47-P100 HydrophobicContact CB-CG 4.38Å; W47-P100 HydrophobicContact CG-CG 4.1Å
48F96.1Very high95Very high16 Ų1643.7 Ų43.77%0.0722%0.224CC..Hα-helixtrans-46.7-52.7-176.2-60.6-93.5000113T14 F26 F28 P46 V50 F51 Y52 N113 H154T14-F48 HydrophobicContact CG2-CD1 4.2Å; T14-F48 HydrophobicContact CG2-CE1 3.67Å; F26-F48 HydrophobicContact CD1-CE1 4.42Å; F26-F48 AromaticContact CD1-CZ 3.96Å; F26-F48 HydrophobicContact CD1-CZ 3.96Å; F26-F48 HydrophobicContact CE1-CZ 4.08Å; F28-F48 HydrophobicContact CD1-CD1 4.12Å; F28-F48 HydrophobicContact CE1-CB 4.22Å; F28-F48 AromaticContact CE1-CD1 3.6Å; F28-F48 HydrophobicContact CE1-CD1 3.6Å; F28-F48 HydrophobicContact CE1-CD2 4.44Å; F28-F48 HydrophobicContact CE1-CE1 4.02Å; F28-F48 AromaticContact CE1-CG 3.83Å; F28-F48 HydrophobicContact CE1-CG 3.83Å; P46-F48 HydrophobicContact CB-CE2 4.15Å; P46-F48 WeakPolarHBondContact O-CD2 3.31Å; P46-F48 PolarHBondContact O-N 2.91Å; F48-V50 VanDerWaalsContact C-N 3.27Å; F48-V50 PolarHBondContact O-N 3.25Å; F48-F51 PolarHBondContact O-N 2.81Å; F48-Y52 HydrophobicContact CB-CD2 4.22Å; F48-Y52 HydrophobicContact CB-CE2 3.9Å; F48-Y52 HydrophobicContact CD1-CE2 4.35Å; F48-Y52 WeakPolarHBondContact O-CB 3.35Å; F48-Y52 WeakPolarHBondContact O-CD2 3.5Å; F48-Y52 PolarHBondContact O-N 2.98Å; F48-N113 VanDerWaalsContact CD1-ND2 3.26Å; F48-N113 WeakPolarHBondContact CD1-ND2 3.28Å; F48-N113 WeakPolarHBondContact CD2-ND2 3.39Å; F48-N113 WeakPolarHBondContact CE1-ND2 3.34Å; F48-N113 WeakPolarHBondContact CE2-ND2 3.48Å; F48-N113 WeakPolarHBondContact CG-ND2 3.24Å; F48-N113 WeakPolarHBondContact CZ-ND2 3.3Å; F48-H154 AromaticContact CE1-CD2 3.8Å; F48-H154 AromaticContact CE1-NE2 3.83Å; F48-H154 AromaticContact CZ-CE1 3.96Å; F48-H154 AromaticContact CZ-CG 3.97Å; F48-H154 AromaticContact CZ-ND1 3.82Å
49E94.9Very high94.8Very high49 Ų4940.6 Ų40.623%0.22920%0.203CC..Hα-helixtrans-66.1-27.8-177.2-68.563.7-139.400113.1W47 K53 E110 R112W47-E49 VanDerWaalsContact C-N 3.34Å; W47-E49 PolarHBondContact O-N 3.12Å; E49-K53 VanDerWaalsContact O-CD 3.26Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.35Å; E49-E110 VanDerWaalsContact CG-O 3.31Å; E49-E110 WeakPolarHBondContact CG-O 3.11Å; E49-R112 WeakPolarHBondContact OE1-CB 3.33Å; E49-R112 PolarHBondContact OE1-N 2.82Å
50V94.8Very high94.6Very high10 Ų1041.4 Ų41.46%0.06121%0.21CC..Hα-helixtrans-77.8-54.2176.4-1790000109.3W47 F48 Y52 K53 L54 F97 P100W47-V50 HydrophobicContact CB-CB 3.91Å; W47-V50 HydrophobicContact CB-CG2 3.99Å; W47-V50 PolarHBondContact O-N 3.37Å; F48-V50 VanDerWaalsContact C-N 3.27Å; F48-V50 PolarHBondContact O-N 3.25Å; V50-Y52 PolarHBondContact O-N 3.38Å; V50-K53 WeakPolarHBondContact O-CB 3.46Å; V50-K53 PolarHBondContact O-N 3.47Å; V50-K53 VanDerWaalsContact O-N 3.09Å; V50-L54 HydrophobicContact CG1-CD1 3.84Å; V50-L54 HydrophobicContact CG1-CG 4.36Å; V50-L54 WeakPolarHBondContact O-CG 3.33Å; V50-L54 PolarHBondContact O-N 3.06Å; V50-F97 HydrophobicContact CB-CD2 4.33Å; V50-F97 HydrophobicContact CG1-CB 4.23Å; V50-F97 HydrophobicContact CG1-CD1 3.95Å; V50-F97 HydrophobicContact CG1-CD2 3.6Å; V50-F97 HydrophobicContact CG1-CE1 4.18Å; V50-F97 HydrophobicContact CG1-CE2 3.86Å; V50-F97 HydrophobicContact CG1-CG 3.65Å; V50-F97 HydrophobicContact CG1-CZ 4.14Å; V50-F97 HydrophobicContact CG2-CB 4.3Å; V50-F97 HydrophobicContact CG2-CD2 3.69Å; V50-F97 HydrophobicContact CG2-CE2 4.33Å; V50-F97 HydrophobicContact CG2-CG 4.19Å; V50-P100 HydrophobicContact CG2-CG 4.27Å
51F95.9Very high94.1Very high8 Ų838.9 Ų38.94%0.03519%0.193CC..Hα-helixtrans-67.3-34.7-176.4-68.1-62.1000112.9F28 I41 L45 W47 F48 K53 L54 L55 L77F28-F51 HydrophobicContact CB-CB 3.84Å; F28-F51 HydrophobicContact CD1-CB 4Å; F28-F51 HydrophobicContact CD1-CD2 4.44Å; F28-F51 HydrophobicContact CD2-CB 3.73Å; F28-F51 AromaticContact CD2-CD2 3.52Å; F28-F51 HydrophobicContact CD2-CD2 3.52Å; F28-F51 HydrophobicContact CD2-CE2 4.31Å; F28-F51 AromaticContact CD2-CG 3.71Å; F28-F51 HydrophobicContact CD2-CG 3.71Å; F28-F51 HydrophobicContact CE1-CD2 4.23Å; F28-F51 HydrophobicContact CE2-CB 4.29Å; F28-F51 AromaticContact CE2-CD2 3.24Å; F28-F51 HydrophobicContact CE2-CD2 3.24Å; F28-F51 AromaticContact CE2-CE2 3.76Å; F28-F51 HydrophobicContact CE2-CE2 3.76Å; F28-F51 AromaticContact CE2-CG 3.95Å; F28-F51 HydrophobicContact CE2-CG 3.95Å; F28-F51 HydrophobicContact CG-CB 3.57Å; F28-F51 HydrophobicContact CG-CD2 4.13Å; F28-F51 HydrophobicContact CG-CG 4.1Å; F28-F51 AromaticContact CZ-CD2 3.64Å; F28-F51 HydrophobicContact CZ-CD2 3.64Å; F28-F51 HydrophobicContact CZ-CE2 4.27Å; I41-F51 HydrophobicContact CB-CD1 4.37Å; I41-F51 HydrophobicContact CD1-CD1 3.92Å; I41-F51 HydrophobicContact CG2-CD1 3.77Å; I41-F51 HydrophobicContact CG2-CE1 3.93Å; I41-F51 HydrophobicContact CG2-CG 4.47Å; L45-F51 HydrophobicContact CB-CE2 4.2Å; L45-F51 WeakPolarHBondContact O-CE2 3.35Å; W47-F51 HydrophobicContact CB-CD2 3.92Å; W47-F51 HydrophobicContact CB-CE2 3.83Å; W47-F51 HydrophobicContact CE3-CE2 4.27Å; W47-F51 HydrophobicContact CE3-CZ 4.28Å; W47-F51 HydrophobicContact CG-CE2 4.4Å; W47-F51 WeakPolarHBondContact O-CD2 3.3Å; W47-F51 PolarHBondContact O-N 2.78Å; F48-F51 PolarHBondContact O-N 2.81Å; F51-K53 VanDerWaalsContact C-N 3.33Å; F51-K53 PolarHBondContact O-N 2.96Å; F51-L54 HydrophobicContact CD1-CD1 4.01Å; F51-L54 HydrophobicContact CE1-CD1 4.32Å; F51-L54 PolarHBondContact O-N 3.42Å; F51-L55 WeakPolarHBondContact O-CB 2.81Å; F51-L55 WeakPolarHBondContact O-CD1 3.2Å; F51-L55 WeakPolarHBondContact O-CG 3.11Å; F51-L55 PolarHBondContact O-N 2.7Å; F51-L77 HydrophobicContact CE1-CD2 4.48Å
52Y95.3Very high93.7Very high10 Ų1040.6 Ų40.64%0.03921%0.205CC..Hα-helixtrans-63.7-35.5171-66.2-39.2000112.8N12 T14 F48 V50 L55 N56N12-Y52 HydrophobicContact CB-CD1 3.71Å; N12-Y52 HydrophobicContact CB-CE1 3.75Å; N12-Y52 HydrophobicContact CB-CG 4.25Å; N12-Y52 VanDerWaalsContact OD1-CD1 3.24Å; N12-Y52 WeakPolarHBondContact OD1-CD1 3.24Å; T14-Y52 PolarHBondContact N-OH 2.7Å; T14-Y52 PolarHBondContact OG1-OH 2.72Å; F48-Y52 HydrophobicContact CB-CD2 4.22Å; F48-Y52 HydrophobicContact CB-CE2 3.9Å; F48-Y52 HydrophobicContact CD1-CE2 4.35Å; F48-Y52 WeakPolarHBondContact O-CB 3.35Å; F48-Y52 WeakPolarHBondContact O-CD2 3.5Å; F48-Y52 PolarHBondContact O-N 2.98Å; V50-Y52 PolarHBondContact O-N 3.38Å; Y52-L55 HydrophobicContact CD1-CD1 4.45Å; Y52-N56 PolarHBondContact O-N 3.21Å; Y52-N56 PolarHBondContact O-ND2 3.39Å; Y52-N56 VanDerWaalsContact O-ND2 3.13Å
53K93Very high93.2Very high137 Ų13742.3 Ų42.360%0.59622%0.219SC*.Hα-helixtrans-68.2-45173.3-73.9170.6-172173.40111.3E49 V50 F51 L55 N56 I57E49-K53 VanDerWaalsContact O-CD 3.26Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.35Å; V50-K53 WeakPolarHBondContact O-CB 3.46Å; V50-K53 PolarHBondContact O-N 3.47Å; V50-K53 VanDerWaalsContact O-N 3.09Å; F51-K53 VanDerWaalsContact C-N 3.33Å; F51-K53 PolarHBondContact O-N 2.96Å; K53-L55 PolarHBondContact O-N 3.35Å; K53-N56 WeakPolarHBondContact O-CB 3.41Å; K53-N56 PolarHBondContact O-N 2.97Å; K53-I57 WeakPolarHBondContact O-CD1 3.32Å; K53-I57 WeakPolarHBondContact O-CG1 3.27Å; K53-I57 PolarHBondContact O-N 3.45Å
54L93Very high92.8Very high6 Ų646.9 Ų46.93%0.03124%0.236CC..Hα-helixtrans-62.9-41.2177.5-64.8171.5000112.1I41 V50 F51 N56 I57 L58 L73 L77 L91I41-L54 HydrophobicContact CD1-CB 4.34Å; V50-L54 HydrophobicContact CG1-CD1 3.84Å; V50-L54 HydrophobicContact CG1-CG 4.36Å; V50-L54 WeakPolarHBondContact O-CG 3.33Å; V50-L54 PolarHBondContact O-N 3.06Å; F51-L54 HydrophobicContact CD1-CD1 4.01Å; F51-L54 HydrophobicContact CE1-CD1 4.32Å; F51-L54 PolarHBondContact O-N 3.42Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.97Å; L54-I57 HydrophobicContact CD2-CD1 4.49Å; L54-I57 PolarHBondContact O-N 3.48Å; L54-L58 WeakPolarHBondContact O-CB 3.34Å; L54-L58 VanDerWaalsContact O-CG 3.26Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.15Å; L54-L73 HydrophobicContact CD2-CD2 4.39Å; L54-L77 HydrophobicContact CD1-CD1 4.34Å; L54-L77 HydrophobicContact CD1-CD2 3.9Å; L54-L91 HydrophobicContact CD1-CD1 4.47Å; L54-L91 HydrophobicContact CD2-CD1 3.72Å
55L94.1Very high92.4Very high2 Ų244.1 Ų44.11%0.0124%0.242CC..Hα-helixtrans-62.8-34.5175.2-76163.3000112.9F28 R30 I41 F51 Y52 K53 A59F28-L55 HydrophobicContact CB-CD1 3.83Å; F28-L55 WeakPolarHBondContact O-CD1 3.29Å; R30-L55 HydrophobicContact CB-CB 3.93Å; R30-L55 HydrophobicContact CB-CD1 4.49Å; R30-L55 VanDerWaalsContact CD-O 3.31Å; R30-L55 WeakPolarHBondContact CD-O 3.23Å; I41-L55 HydrophobicContact CD1-CD2 4.12Å; I41-L55 HydrophobicContact CD1-CG 4.04Å; I41-L55 HydrophobicContact CG1-CD2 3.92Å; I41-L55 HydrophobicContact CG1-CG 4.29Å; F51-L55 WeakPolarHBondContact O-CB 2.81Å; F51-L55 WeakPolarHBondContact O-CD1 3.2Å; F51-L55 WeakPolarHBondContact O-CG 3.11Å; F51-L55 PolarHBondContact O-N 2.7Å; Y52-L55 HydrophobicContact CD1-CD1 4.45Å; K53-L55 PolarHBondContact O-N 3.35Å; L55-A59 WeakPolarHBondContact O-CB 3.41Å; L55-A59 PolarHBondContact O-N 3.26Å; L55-A59 VanDerWaalsContact O-N 3.12Å
56N91.5Very high92Very high61 Ų6145.1 Ų45.133%0.32625%0.245SC..Hα-helixtrans-66.3-48.1171.2-72.7-37.3000111.1R30 Y52 K53 L54 L58 A59 D60R30-N56 WeakPolarHBondContact CD-OD1 3.47Å; R30-N56 PolarHBondContact NE-OD1 2.95Å; Y52-N56 PolarHBondContact O-N 3.21Å; Y52-N56 PolarHBondContact O-ND2 3.39Å; Y52-N56 VanDerWaalsContact O-ND2 3.13Å; K53-N56 WeakPolarHBondContact O-CB 3.41Å; K53-N56 PolarHBondContact O-N 2.97Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.97Å; N56-L58 PolarHBondContact O-N 3Å; N56-A59 PolarHBondContact O-N 3.42Å; N56-D60 WeakPolarHBondContact O-CB 3.26Å; N56-D60 PolarHBondContact O-N 3.14Å
57I90.6Very high91.6Very high56 Ų5648.3 Ų48.329%0.28726%0.256SS..Hα-helixtrans-59.6-46.3178.6-65.8157.4000111.2K53 L54 D60 C61 L73K53-I57 WeakPolarHBondContact O-CD1 3.32Å; K53-I57 WeakPolarHBondContact O-CG1 3.27Å; K53-I57 PolarHBondContact O-N 3.45Å; L54-I57 HydrophobicContact CD2-CD1 4.49Å; L54-I57 PolarHBondContact O-N 3.48Å; I57-D60 PolarHBondContact O-N 2.97Å; I57-C61 PolarHBondContact O-N 3.17Å; I57-C61 PolarHBondContact O-SG 2.85Å; I57-L73 HydrophobicContact CG2-CD1 4.06Å
58L90.6Very high91.2Very high17 Ų1751.7 Ų51.79%0.08928%0.282CS..Hα-helixtrans-59.5-50.1177.9-72.4169.2000111.4I41 L54 N56 D60 C61 T62 W70 L73 L74I41-L58 HydrophobicContact CD1-CD1 4Å; L54-L58 WeakPolarHBondContact O-CB 3.34Å; L54-L58 VanDerWaalsContact O-CG 3.26Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.15Å; N56-L58 PolarHBondContact O-N 3Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 3.34Å; L58-C61 PolarHBondContact O-N 3.43Å; L58-T62 PolarHBondContact O-N 2.93Å; L58-T62 PolarHBondContact O-OG1 3.49Å; L58-W70 HydrophobicContact CD2-CB 3.84Å; L58-L73 HydrophobicContact CD2-CD2 3.86Å; L58-L73 HydrophobicContact CG-CD2 4.3Å; L58-L74 HydrophobicContact CD1-CD2 3.92Å; L58-L74 HydrophobicContact CD2-CD1 4.41Å; L58-L74 HydrophobicContact CD2-CD2 3.95Å; L58-L74 HydrophobicContact CD2-CG 3.92Å
59A90Very high90.7Very high1 Ų155.3 Ų55.31%0.00830%0.299CS..Hα-helixtrans-64.3-37.8178.800000112.6R30 Y39 L55 N56 T62 V63R30-A59 VanDerWaalsContact CZ-CB 3.46Å; Y39-A59 HydrophobicContact CD1-CB 4.17Å; Y39-A59 HydrophobicContact CD2-CB 3.96Å; Y39-A59 HydrophobicContact CE1-CB 3.96Å; Y39-A59 HydrophobicContact CE2-CB 3.77Å; Y39-A59 HydrophobicContact CG-CB 4.17Å; L55-A59 WeakPolarHBondContact O-CB 3.41Å; L55-A59 PolarHBondContact O-N 3.26Å; L55-A59 VanDerWaalsContact O-N 3.12Å; N56-A59 PolarHBondContact O-N 3.42Å; A59-T62 PolarHBondContact O-N 3.44Å; A59-V63 WeakPolarHBondContact O-CG2 3.49Å; A59-V63 PolarHBondContact O-N 3.26Å
60D89.1Confident90.3Very high70 Ų7056.4 Ų56.437%0.37430%0.301SS..Hα-helixtrans-61.8-44.4173.4-98.151.7000112N56 I57 L58 K64N56-D60 WeakPolarHBondContact O-CB 3.26Å; N56-D60 PolarHBondContact O-N 3.14Å; I57-D60 PolarHBondContact O-N 2.97Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 3.34Å; D60-K64 WeakPolarHBondContact O-CB 3.39Å; D60-K64 VanDerWaalsContact O-CD 3.24Å; D60-K64 WeakPolarHBondContact O-CD 3.33Å; D60-K64 WeakPolarHBondContact O-CG 3.42Å; D60-K64 PolarHBondContact O-N 2.68Å; D60-K64 VanDerWaalsContact O-N 3.07Å; D60-K64 IonicContact OD2-NZ 4Å; D60-K64 PolarHBondContact OD2-NZ 2.83Å
61C88.5Confident90.1Very high13 Ų1360.2 Ų60.29%0.08832%0.318CS..Hα-helixtrans-67-36.3174.9-72.50000112.1I57 L58 K64 G65 Q66 W70I57-C61 PolarHBondContact O-N 3.17Å; I57-C61 PolarHBondContact O-SG 2.85Å; L58-C61 PolarHBondContact O-N 3.43Å; C61-K64 CarbonylContact O-C 3.55Å; C61-K64 PolarHBondContact O-N 2.67Å; C61-G65 PolarHBondContact O-N 2.68Å; C61-G65 VanDerWaalsContact O-N 3.16Å; C61-Q66 HydrophobicContact CB-CB 4.14Å; C61-Q66 PolarHBondContact O-N 2.54Å; C61-W70 HydrophobicContact CB-CB 4.08Å
62T88.3Confident89.9Confident62 Ų6265.5 Ų65.538%0.3834%0.343SS..Hα-helixtrans-63.3-48.4174.1-55.70000111.3Y39 L58 A59 K64 G65Y39-T62 HydrophobicContact CE1-CG2 4.2Å; Y39-T62 WeakPolarHBondContact OH-CG2 3.31Å; L58-T62 PolarHBondContact O-N 2.93Å; L58-T62 PolarHBondContact O-OG1 3.49Å; A59-T62 PolarHBondContact O-N 3.44Å; T62-K64 PolarHBondContact O-N 3.43Å; T62-G65 PolarHBondContact O-N 2.9Å; T62-G65 VanDerWaalsContact O-N 3.1Å
63V87.9Confident89.6Confident122 Ų12265.7 Ų65.774%0.73935%0.345SS*.Hα-helixtrans-62.9-29.9176.9171.30000112.2A59A59-V63 WeakPolarHBondContact O-CG2 3.49Å; A59-V63 PolarHBondContact O-N 3.26Å
64K89.7Confident89.5Confident122 Ų12262.2 Ų62.253%0.5333%0.332SS..THydrogen-bonded Turntrans-86.91.8177-65.9162.5-161.71610114D60 C61 T62 Q66D60-K64 WeakPolarHBondContact O-CB 3.39Å; D60-K64 VanDerWaalsContact O-CD 3.24Å; D60-K64 WeakPolarHBondContact O-CD 3.33Å; D60-K64 WeakPolarHBondContact O-CG 3.42Å; D60-K64 PolarHBondContact O-N 2.68Å; D60-K64 VanDerWaalsContact O-N 3.07Å; D60-K64 IonicContact OD2-NZ 4Å; D60-K64 PolarHBondContact OD2-NZ 2.83Å; C61-K64 CarbonylContact O-C 3.55Å; C61-K64 PolarHBondContact O-N 2.67Å; T62-K64 PolarHBondContact O-N 3.43Å; K64-Q66 HydrophobicContact CB-CG 3.82Å; K64-Q66 PolarHBondContact O-N 2.9Å
65G88.4Confident89.4Confident56 Ų5666.2 Ų66.258%0.57736%0.357SS*.THydrogen-bonded Turntrans64.621-176.900000114.7C61 T62 E67C61-G65 PolarHBondContact O-N 2.68Å; C61-G65 VanDerWaalsContact O-N 3.16Å; T62-G65 PolarHBondContact O-N 2.9Å; T62-G65 VanDerWaalsContact O-N 3.1Å; G65-E67 VanDerWaalsContact C-N 3.28Å; G65-E67 PolarHBondContact O-N 2.77Å
66Q88.4Confident89.3Confident62 Ų6268 Ų6829%0.2937%0.369SS..  trans-86.161.3-172.2-67.9178.1-39.200111.8C61 K64 S68 Q69 W70C61-Q66 HydrophobicContact CB-CB 4.14Å; C61-Q66 PolarHBondContact O-N 2.54Å; K64-Q66 HydrophobicContact CB-CG 3.82Å; K64-Q66 PolarHBondContact O-N 2.9Å; Q66-S68 PolarHBondContact O-N 2.96Å; Q66-Q69 HydrophobicContact CB-CB 4.26Å; Q66-Q69 HydrophobicContact CB-CG 4.3Å; Q66-Q69 PolarHBondContact O-N 3.49Å; Q66-Q69 VanDerWaalsContact O-N 3.15Å; Q66-W70 PolarHBondContact O-N 3.15Å
67E87.6Confident89.3Confident119 Ų11966.6 Ų66.656%0.55636%0.362SS*.Hα-helixtrans-59-46.8-169.7-64.1-162153.600114.5G65 Q69 W70 Q71G65-E67 VanDerWaalsContact C-N 3.28Å; G65-E67 PolarHBondContact O-N 2.77Å; E67-Q69 PolarHBondContact O-N 3.18Å; E67-W70 PolarHBondContact O-N 3.47Å; E67-Q71 WeakPolarHBondContact O-CB 3.33Å; E67-Q71 VanDerWaalsContact O-CG 3.22Å; E67-Q71 WeakPolarHBondContact O-CG 3.21Å; E67-Q71 PolarHBondContact O-N 3Å
68S87.6Confident89.4Confident86 Ų8671.8 Ų71.860%0.60139%0.385SS*.Hα-helixtrans-58.8-35.2178.452.70000112.8Q66 E72Q66-S68 PolarHBondContact O-N 2.96Å; S68-E72 VanDerWaalsContact O-CB 3.25Å; S68-E72 WeakPolarHBondContact O-CB 3.33Å; S68-E72 PolarHBondContact O-N 3.1Å
69Q86.1Confident89.5Confident93 Ų9375.8 Ų75.844%0.43541%0.41SS..Hα-helixtrans-73.9-42.4-177.8-59.9-176.624.500112Q66 E67 L73Q66-Q69 HydrophobicContact CB-CB 4.26Å; Q66-Q69 HydrophobicContact CB-CG 4.3Å; Q66-Q69 PolarHBondContact O-N 3.49Å; Q66-Q69 VanDerWaalsContact O-N 3.15Å; E67-Q69 PolarHBondContact O-N 3.18Å; Q69-L73 WeakPolarHBondContact O-CB 3.2Å; Q69-L73 PolarHBondContact O-N 2.88Å
70W86.8Confident89.5Confident72 Ų7278.3 Ų78.327%0.27342%0.423SS..Hα-helixtrans-71.7-33.8176.472.7-115.2000111.7L58 C61 Q66 E67 L74L58-W70 HydrophobicContact CD2-CB 3.84Å; C61-W70 HydrophobicContact CB-CB 4.08Å; Q66-W70 PolarHBondContact O-N 3.15Å; E67-W70 PolarHBondContact O-N 3.47Å; W70-L74 HydrophobicContact CE3-CD1 3.77Å; W70-L74 HydrophobicContact CZ3-CD1 4Å; W70-L74 WeakPolarHBondContact O-CB 3.36Å; W70-L74 WeakPolarHBondContact O-CG 3.29Å; W70-L74 PolarHBondContact O-N 2.84Å
71Q90.7Very high89.7Confident89 Ų8980.1 Ų80.142%0.41644%0.438SS..Hα-helixtrans-64.8-48.4173.3-71171.917.700111.8E67 L73 L74 V75E67-Q71 WeakPolarHBondContact O-CB 3.33Å; E67-Q71 VanDerWaalsContact O-CG 3.22Å; E67-Q71 WeakPolarHBondContact O-CG 3.21Å; E67-Q71 PolarHBondContact O-N 3Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.92Å; Q71-L74 PolarHBondContact O-N 3.48Å; Q71-V75 WeakPolarHBondContact O-CB 3.4Å; Q71-V75 WeakPolarHBondContact O-CG2 3.39Å; Q71-V75 PolarHBondContact O-N 3.08Å
72E90.1Very high89.9Confident120 Ų12084.5 Ų84.556%0.56146%0.46SS*.Hα-helixtrans-59-43.2176.4-174.9-176.9168.200111.5S68 S76S68-E72 VanDerWaalsContact O-CB 3.25Å; S68-E72 WeakPolarHBondContact O-CB 3.33Å; S68-E72 PolarHBondContact O-N 3.1Å; E72-S76 VanDerWaalsContact O-CB 3.24Å; E72-S76 WeakPolarHBondContact O-CB 3.38Å; E72-S76 PolarHBondContact O-N 3.31Å; E72-S76 PolarHBondContact O-OG 2.84Å
73L89.4Confident90Very high14 Ų1482.7 Ų82.77%0.07345%0.449CS..Hα-helixtrans-65.2-43.4178.2-177.5144.8000112.3L54 I57 L58 Q69 Q71 L77 L91L54-L73 HydrophobicContact CD2-CD2 4.39Å; I57-L73 HydrophobicContact CG2-CD1 4.06Å; L58-L73 HydrophobicContact CD2-CD2 3.86Å; L58-L73 HydrophobicContact CG-CD2 4.3Å; Q69-L73 WeakPolarHBondContact O-CB 3.2Å; Q69-L73 PolarHBondContact O-N 2.88Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.92Å; L73-L77 VanDerWaalsContact O-CB 3.25Å; L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 PolarHBondContact O-N 3.43Å; L73-L91 HydrophobicContact CD1-CB 4.42Å; L73-L91 HydrophobicContact CG-CB 4.43Å
74L91.6Very high90.2Very high64 Ų6482.8 Ų82.834%0.33544%0.442SS..Hα-helixtrans-67.6-42.7177.1-73.6-176.9000112.3L58 W70 Q71 L77 H78L58-L74 HydrophobicContact CD1-CD2 3.92Å; L58-L74 HydrophobicContact CD2-CD1 4.41Å; L58-L74 HydrophobicContact CD2-CD2 3.95Å; L58-L74 HydrophobicContact CD2-CG 3.92Å; W70-L74 HydrophobicContact CE3-CD1 3.77Å; W70-L74 HydrophobicContact CZ3-CD1 4Å; W70-L74 WeakPolarHBondContact O-CB 3.36Å; W70-L74 WeakPolarHBondContact O-CG 3.29Å; W70-L74 PolarHBondContact O-N 2.84Å; Q71-L74 PolarHBondContact O-N 3.48Å; L74-L77 PolarHBondContact O-N 2.94Å; L74-H78 VanDerWaalsContact O-CB 3.25Å; L74-H78 WeakPolarHBondContact O-CB 3.26Å; L74-H78 PolarHBondContact O-N 2.94Å
75V91.7Very high90.2Very high90 Ų9079.3 Ų79.355%0.54543%0.432SS..Hα-helixtrans-63.9-43176.4171.90000110.6Q71 H78 T79Q71-V75 WeakPolarHBondContact O-CB 3.4Å; Q71-V75 WeakPolarHBondContact O-CG2 3.39Å; Q71-V75 PolarHBondContact O-N 3.08Å; V75-H78 PolarHBondContact O-N 2.83Å; V75-T79 HydrophobicContact CG1-CG2 4.38Å; V75-T79 WeakPolarHBondContact O-CB 3.47Å; V75-T79 WeakPolarHBondContact O-CG2 3.49Å; V75-T79 PolarHBondContact O-N 3.5Å; V75-T79 PolarHBondContact O-OG1 3.13Å
76S90.4Very high90.3Very high39 Ų3979.2 Ų79.227%0.27343%0.43SS..Hα-helixtrans-61.7-44.9176.1-60.10000111.9E72 T79 L80E72-S76 VanDerWaalsContact O-CB 3.24Å; E72-S76 WeakPolarHBondContact O-CB 3.38Å; E72-S76 PolarHBondContact O-N 3.31Å; E72-S76 PolarHBondContact O-OG 2.84Å; S76-T79 PolarHBondContact O-OG1 3.22Å; S76-L80 WeakPolarHBondContact O-CB 3.45Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-L80 VanDerWaalsContact O-N 3.15Å
77L91.6Very high90.4Very high31 Ų3179 Ų7916%0.16243%0.433CS..Hα-helixtrans-66.4-39.5178.4177.964.4000112.6F51 L54 L73 L74 L91F51-L77 HydrophobicContact CE1-CD2 4.48Å; L54-L77 HydrophobicContact CD1-CD1 4.34Å; L54-L77 HydrophobicContact CD1-CD2 3.9Å; L73-L77 VanDerWaalsContact O-CB 3.25Å; L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 PolarHBondContact O-N 3.43Å; L74-L77 PolarHBondContact O-N 2.94Å; L77-L91 HydrophobicContact CB-CD1 4.44Å; L77-L91 HydrophobicContact CB-CD2 4.3Å; L77-L91 HydrophobicContact CD1-CD1 4.2Å
78H92.4Very high90.5Very high166 Ų16677.1 Ų77.177%0.76943%0.431SS*.Hα-helixtrans-76.4-29.2-179.2-176.4-82.3000113.3L74 V75L74-H78 VanDerWaalsContact O-CB 3.25Å; L74-H78 WeakPolarHBondContact O-CB 3.26Å; L74-H78 PolarHBondContact O-N 2.94Å; V75-H78 PolarHBondContact O-N 2.83Å
79T92.4Very high90.5Very high100 Ų10073.9 Ų73.961%0.61341%0.407SS*.Hα-helixtrans-88.7-9.1177.155.30000113.6V75 S76 P81V75-T79 HydrophobicContact CG1-CG2 4.38Å; V75-T79 WeakPolarHBondContact O-CB 3.47Å; V75-T79 WeakPolarHBondContact O-CG2 3.49Å; V75-T79 PolarHBondContact O-N 3.5Å; V75-T79 PolarHBondContact O-OG1 3.13Å; S76-T79 PolarHBondContact O-OG1 3.22Å; T79-P81 WeakPolarHBondContact O-CD 3.2Å
80L91.4Very high90.5Very high55 Ų5575.6 Ų75.629%0.28842%0.415SS..SBendtrans-65.5119.3175.3-172.773.9000110.6S76 P83 I89S76-L80 WeakPolarHBondContact O-CB 3.45Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-L80 VanDerWaalsContact O-N 3.15Å; L80-P83 HydrophobicContact CD2-CG 4.36Å; L80-I89 HydrophobicContact CD1-CG2 4.36Å; L80-I89 HydrophobicContact CD2-CD1 4.47Å; L80-I89 HydrophobicContact CD2-CG1 4.47Å; L80-I89 HydrophobicContact CD2-CG2 3.68Å
81P93.2Very high90.2Very high108 Ų10872.5 Ų72.570%0.70140%0.403SS*.  trans-64.5141.2169.329.1-34.5000109.3T79 P83T79-P81 WeakPolarHBondContact O-CD 3.2Å; P81-P83 WeakPolarHBondContact O-CD 3.44Å
82I92.3Very high89.3Confident104 Ų10470.2 Ų70.253%0.53340%0.403SS..  trans-55113.7-173.6-56.9179.2000109.8L45 W508L45-I82 HydrophobicContact CD2-CG2 4.13Å; I82-W508 HydrophobicContact CD1-CH2 4.13Å; I82-W508 HydrophobicContact CD1-CZ2 4.47Å
83P90.9Very high88.1Confident25 Ų2570.8 Ų70.816%0.16242%0.415CS..PPolyproline II helixtrans-80.8156.9-174.333.2-38.9000112.8W47 L80 P81 I89 V99W47-P83 HydrophobicContact CH2-CG 3.97Å; L80-P83 HydrophobicContact CD2-CG 4.36Å; P81-P83 WeakPolarHBondContact O-CD 3.44Å; P83-I89 HydrophobicContact CB-CD1 3.72Å; P83-I89 HydrophobicContact CB-CG1 4.27Å; P83-I89 HydrophobicContact CG-CD1 3.99Å; P83-I89 HydrophobicContact CG-CG1 4.04Å; P83-V99 HydrophobicContact CB-CG2 3.84Å; P83-V99 HydrophobicContact CG-CG1 4.41Å; P83-V99 HydrophobicContact CG-CG2 3.37Å
84E90.7Very high86.9Confident124 Ų12478.3 Ų78.358%0.57945%0.449SS*.PPolyproline II helixtrans-69151.7174.7-67.1-66.3167.300112.3V87 V99E84-V87 HydrophobicContact CB-CG2 4.11Å; E84-V87 WeakPolarHBondContact O-CB 3.48Å; E84-V87 VanDerWaalsContact O-CG2 3.29Å; E84-V87 WeakPolarHBondContact O-CG2 3.37Å; E84-V87 PolarHBondContact O-N 3.42Å; E84-V99 WeakPolarHBondContact O-CB 3.35Å
85P91.4Very high86.3Confident49 Ų4976.2 Ų76.232%0.31844%0.44SS..THydrogen-bonded Turntrans-55.4148175.1-26.435.6000114.5V87 D101P85-V87 PolarHBondContact O-N 3.33Å; P85-D101 HydrophobicContact CB-CB 3.7Å; P85-D101 HydrophobicContact CG-CB 4.45Å
86G89.4Confident85.9Confident53 Ų5378.8 Ų78.855%0.54644%0.444SS..THydrogen-bonded Turntrans75.3-7.5179.400000115.2T98 V99G86-T98 WeakPolarHBondContact O-CG2 3.25Å; G86-V99 PolarHBondContact N-O 2.88Å
87V90.4Very high85.9Confident59 Ų5977.9 Ų77.936%0.35844%0.435SS..  trans-73.2132.9176.6178.40000110.3E84 P85 I89 T98 V99E84-V87 HydrophobicContact CB-CG2 4.11Å; E84-V87 WeakPolarHBondContact O-CB 3.48Å; E84-V87 VanDerWaalsContact O-CG2 3.29Å; E84-V87 WeakPolarHBondContact O-CG2 3.37Å; E84-V87 PolarHBondContact O-N 3.42Å; P85-V87 PolarHBondContact O-N 3.33Å; V87-I89 HydrophobicContact CG1-CD1 3.89Å; V87-T98 WeakPolarHBondContact O-CA 3.17Å; V87-V99 HydrophobicContact CB-CG2 4.4Å; V87-V99 WeakPolarHBondContact O-CG2 3.47Å; V87-V99 PolarHBondContact O-N 3.45Å
88P89.1Confident85.9Confident78 Ų7880.4 Ų80.451%0.50645%0.452SS..EExtended strand (participates in β ladder)trans-79.1127.2168.431.2-32.4000110.8
89I89.2Confident85.9Confident18 Ų1872.7 Ų72.79%0.09242%0.416CS..EExtended strand (participates in β ladder)trans-111.8130.3178.8-58.9-61000109.2L80 P83 V87 L91 F96 F97 V99L80-I89 HydrophobicContact CD1-CG2 4.36Å; L80-I89 HydrophobicContact CD2-CD1 4.47Å; L80-I89 HydrophobicContact CD2-CG1 4.47Å; L80-I89 HydrophobicContact CD2-CG2 3.68Å; P83-I89 HydrophobicContact CB-CD1 3.72Å; P83-I89 HydrophobicContact CB-CG1 4.27Å; P83-I89 HydrophobicContact CG-CD1 3.99Å; P83-I89 HydrophobicContact CG-CG1 4.04Å; V87-I89 HydrophobicContact CG1-CD1 3.89Å; I89-L91 HydrophobicContact CG2-CD2 4.46Å; I89-L91 HydrophobicContact CG2-CG 4.5Å; I89-F96 CarbonylContact O-C 3.58Å; I89-F96 WeakPolarHBondContact O-CA 3.48Å; I89-F96 VanDerWaalsContact O-CB 3.3Å; I89-F96 WeakPolarHBondContact O-CB 3.47Å; I89-F97 HydrophobicContact CB-CD1 4.21Å; I89-F97 HydrophobicContact CB-CE1 3.77Å; I89-F97 HydrophobicContact CB-CE2 4.26Å; I89-F97 HydrophobicContact CB-CZ 3.8Å; I89-F97 HydrophobicContact CG1-CE2 4.29Å; I89-F97 HydrophobicContact CG1-CZ 4.1Å; I89-F97 HydrophobicContact CG2-CD1 4.41Å; I89-F97 HydrophobicContact CG2-CE1 3.63Å; I89-F97 HydrophobicContact CG2-CZ 3.84Å; I89-F97 PolarHBondContact N-O 2.8Å; I89-F97 PolarHBondContact O-N 3.23Å; I89-V99 HydrophobicContact CG1-CG2 3.79Å
90H85.7Confident85.8Confident130 Ų13070.1 Ų70.160%0.60240%0.401SS*.EExtended strand (participates in β ladder)trans-105128.6175.2-66.6-95.4000110.1
91L79.9Confident85.7Confident7 Ų769.8 Ų69.84%0.03740%0.4CS..EExtended strand (participates in β ladder)trans-114.688.4174.8-65.2175.6000108L54 L73 L77 I89 S95 F97L54-L91 HydrophobicContact CD1-CD1 4.47Å; L54-L91 HydrophobicContact CD2-CD1 3.72Å; L73-L91 HydrophobicContact CD1-CB 4.42Å; L73-L91 HydrophobicContact CG-CB 4.43Å; L77-L91 HydrophobicContact CB-CD1 4.44Å; L77-L91 HydrophobicContact CB-CD2 4.3Å; L77-L91 HydrophobicContact CD1-CD1 4.2Å; I89-L91 HydrophobicContact CG2-CD2 4.46Å; I89-L91 HydrophobicContact CG2-CG 4.5Å; L91-S95 PolarHBondContact N-O 3.45Å; L91-S95 WeakPolarHBondContact O-CB 3.49Å; L91-F97 HydrophobicContact CD1-CD1 4.37Å; L91-F97 HydrophobicContact CD1-CE1 3.9Å; L91-F97 HydrophobicContact CG-CE1 4.28Å
92G71.8Confident85.3Confident40 Ų4070.4 Ų70.441%0.41240%0.396SS..THydrogen-bonded Turntrans68.1-160.1-171.700000113.2
93V64.7Low85.1Confident133 Ų13371.6 Ų71.681%0.80640%0.397SS*.THydrogen-bonded Turntrans-75.6-31.7-167.3-175.10000113.7
94H65.3Low85.1Confident172 Ų17277.3 Ų77.380%0.79642%0.422SS*.THydrogen-bonded Turntrans-119.1-4.7-166.8-61.6111.5000115.2
95S77.7Confident85.2Confident19 Ų1972.3 Ų72.313%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-117127.3-179.9-54.40000110.7L91L91-S95 PolarHBondContact N-O 3.45Å; L91-S95 WeakPolarHBondContact O-CB 3.49Å
96F85.1Confident85.4Confident145 Ų14571.8 Ų71.864%0.63640%0.396SS*.EExtended strand (participates in β ladder)trans-145.4155.1169.372.6-85.1000111.1I89I89-F96 CarbonylContact O-C 3.58Å; I89-F96 WeakPolarHBondContact O-CA 3.48Å; I89-F96 VanDerWaalsContact O-CB 3.3Å; I89-F96 WeakPolarHBondContact O-CB 3.47Å
97F89.7Confident85.6Confident20 Ų2070.8 Ų70.89%0.08838%0.38CS..EExtended strand (participates in β ladder)trans-147.8151.5174.968.1-83.7000110.8W47 V50 I89 L91 V99W47-F97 HydrophobicContact CE3-CE2 4.09Å; W47-F97 AromaticContact CZ3-CE2 3.77Å; W47-F97 HydrophobicContact CZ3-CE2 3.77Å; W47-F97 HydrophobicContact CZ3-CZ 4.07Å; V50-F97 HydrophobicContact CB-CD2 4.33Å; V50-F97 HydrophobicContact CG1-CB 4.23Å; V50-F97 HydrophobicContact CG1-CD1 3.95Å; V50-F97 HydrophobicContact CG1-CD2 3.6Å; V50-F97 HydrophobicContact CG1-CE1 4.18Å; V50-F97 HydrophobicContact CG1-CE2 3.86Å; V50-F97 HydrophobicContact CG1-CG 3.65Å; V50-F97 HydrophobicContact CG1-CZ 4.14Å; V50-F97 HydrophobicContact CG2-CB 4.3Å; V50-F97 HydrophobicContact CG2-CD2 3.69Å; V50-F97 HydrophobicContact CG2-CE2 4.33Å; V50-F97 HydrophobicContact CG2-CG 4.19Å; I89-F97 HydrophobicContact CB-CD1 4.21Å; I89-F97 HydrophobicContact CB-CE1 3.77Å; I89-F97 HydrophobicContact CB-CE2 4.26Å; I89-F97 HydrophobicContact CB-CZ 3.8Å; I89-F97 HydrophobicContact CG1-CE2 4.29Å; I89-F97 HydrophobicContact CG1-CZ 4.1Å; I89-F97 HydrophobicContact CG2-CD1 4.41Å; I89-F97 HydrophobicContact CG2-CE1 3.63Å; I89-F97 HydrophobicContact CG2-CZ 3.84Å; I89-F97 PolarHBondContact N-O 2.8Å; I89-F97 PolarHBondContact O-N 3.23Å; L91-F97 HydrophobicContact CD1-CD1 4.37Å; L91-F97 HydrophobicContact CD1-CE1 3.9Å; L91-F97 HydrophobicContact CG-CE1 4.28Å; F97-V99 HydrophobicContact CE2-CG2 4.26Å
98T90.9Very high85.9Confident83 Ų8368.9 Ų68.951%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-88.8135.9167.8-51.20000109G86 V87 P100G86-T98 WeakPolarHBondContact O-CG2 3.25Å; V87-T98 WeakPolarHBondContact O-CA 3.17Å; T98-P100 WeakPolarHBondContact O-CD 2.91Å
99V92.5Very high86.2Confident4 Ų469.5 Ų69.52%0.02437%0.372CS..PPolyproline II helixtrans-65.7121.9176.5-178.10000110W47 P83 E84 G86 V87 I89 F97W47-V99 HydrophobicContact CH2-CG1 4Å; W47-V99 HydrophobicContact CH2-CG2 4.49Å; W47-V99 HydrophobicContact CZ2-CG1 3.58Å; P83-V99 HydrophobicContact CB-CG2 3.84Å; P83-V99 HydrophobicContact CG-CG1 4.41Å; P83-V99 HydrophobicContact CG-CG2 3.37Å; E84-V99 WeakPolarHBondContact O-CB 3.35Å; G86-V99 PolarHBondContact N-O 2.88Å; V87-V99 HydrophobicContact CB-CG2 4.4Å; V87-V99 WeakPolarHBondContact O-CG2 3.47Å; V87-V99 PolarHBondContact O-N 3.45Å; I89-V99 HydrophobicContact CG1-CG2 3.79Å; F97-V99 HydrophobicContact CE2-CG2 4.26Å
100P91.6Very high86.4Confident46 Ų4674.4 Ų74.430%0.29940%0.395SS..PPolyproline II helixtrans-65.2137178.8-20.832.8000112.5W47 V50 T98W47-P100 HydrophobicContact CB-CG 4.38Å; W47-P100 HydrophobicContact CG-CG 4.1Å; V50-P100 HydrophobicContact CG2-CG 4.27Å; T98-P100 WeakPolarHBondContact O-CD 2.91Å
101D89.3Confident86.9Confident48 Ų4869.8 Ų69.826%0.25737%0.374SS..PPolyproline II helixtrans-85.4116.8165.2-162.6-15.7000110.2P85 K103 E104P85-D101 HydrophobicContact CB-CB 3.7Å; P85-D101 HydrophobicContact CG-CB 4.45Å; D101-K103 VanDerWaalsContact CG-NZ 3.34Å; D101-K103 PolarHBondContact O-N 2.93Å; D101-K103 VanDerWaalsContact O-N 3.14Å; D101-K103 WeakPolarHBondContact OD1-CB 3.39Å; D101-K103 VanDerWaalsContact OD1-CG 3.29Å; D101-K103 WeakPolarHBondContact OD1-CG 3.19Å; D101-K103 PolarHBondContact OD1-N 2.97Å; D101-K103 IonicContact OD1-NZ 3.63Å; D101-K103 PolarHBondContact OD1-NZ 3.09Å; D101-K103 IonicContact OD2-NZ 2.68Å; D101-K103 PolarHBondContact OD2-NZ 3.2Å; D101-E104 HydrophobicContact CB-CG 4.33Å; D101-E104 PolarHBondContact O-N 2.68Å
102I84.7Confident87.6Confident122 Ų12273.6 Ų73.663%0.62639%0.388SS*.THydrogen-bonded Turntrans-68.8-4.2177.261172.5000113.6P46P46-I102 HydrophobicContact CG-CG2 4.28Å
103K86.6Confident88.9Confident128 Ų12872 Ų7256%0.55737%0.37SS*.THydrogen-bonded Turntrans-86.3-20.2174.3-60.2179.6-140.988.70113.6D101 I325D101-K103 VanDerWaalsContact CG-NZ 3.34Å; D101-K103 PolarHBondContact O-N 2.93Å; D101-K103 VanDerWaalsContact O-N 3.14Å; D101-K103 WeakPolarHBondContact OD1-CB 3.39Å; D101-K103 VanDerWaalsContact OD1-CG 3.29Å; D101-K103 WeakPolarHBondContact OD1-CG 3.19Å; D101-K103 PolarHBondContact OD1-N 2.97Å; D101-K103 IonicContact OD1-NZ 3.63Å; D101-K103 PolarHBondContact OD1-NZ 3.09Å; D101-K103 IonicContact OD2-NZ 2.68Å; D101-K103 PolarHBondContact OD2-NZ 3.2Å; K103-I325 VanDerWaalsContact O-CD1 3.22Å; K103-I325 WeakPolarHBondContact O-CD1 3.3Å
104E90.7Very high90.4Very high146 Ų14665.7 Ų65.768%0.68233%0.332SS*.SBendtrans-77.4151.8179.9-66.9-171.8157.300111.4D101D101-E104 HydrophobicContact CB-CG 4.33Å; D101-E104 PolarHBondContact O-N 2.68Å
105L94.1Very high92Very high19 Ų1958.9 Ų58.910%0.09930%0.302CS..PPolyproline II helixtrans-73.6134.5175.5-66.4179.1000110.3S107 Y161 D248 A251 R252 L255 I325L105-S107 PolarHBondContact O-N 3.07Å; L105-S107 PolarHBondContact O-OG 2.84Å; L105-Y161 HydrophobicContact CD2-CD1 4.42Å; L105-D248 HydrophobicContact CB-CB 3.96Å; L105-D248 HydrophobicContact CD1-CB 4.27Å; L105-A251 HydrophobicContact CB-CB 4.1Å; L105-R252 HydrophobicContact CD1-CB 3.93Å; L105-L255 HydrophobicContact CD1-CD2 4.16Å; L105-L255 HydrophobicContact CD2-CD2 4.44Å; L105-I325 HydrophobicContact CD1-CG2 4.24Å; L105-I325 HydrophobicContact CD2-CD1 4.49Å; L105-I325 HydrophobicContact CG-CD1 3.99Å; L105-I325 HydrophobicContact CG-CG2 4.43Å
106P94.8Very high92.9Very high37 Ų3760.6 Ų60.624%0.2431%0.308CS..PPolyproline II helixtrans-59.4128.8175.122.9-31000110.3N111 L114 M159 A251P106-N111 HydrophobicContact CB-CB 3.82Å; P106-L114 HydrophobicContact CB-CB 4.41Å; P106-L114 HydrophobicContact CB-CD2 3.96Å; P106-L114 HydrophobicContact CG-CD2 4.09Å; P106-L114 WeakPolarHBondContact O-CD2 3.42Å; P106-M159 HydrophobicContact CG-CE 4.22Å; P106-A251 HydrophobicContact CG-CB 3.99Å; P106-A251 WeakPolarHBondContact O-CB 3.15Å
107S95Very high93.5Very high33 Ų3353.7 Ų53.723%0.23128%0.278CS..  trans-110.1153.3-175.1-68.30000112L105 E110 N111 G247 D248L105-S107 PolarHBondContact O-N 3.07Å; L105-S107 PolarHBondContact O-OG 2.84Å; S107-E110 VanDerWaalsContact CB-OE2 3.3Å; S107-E110 WeakPolarHBondContact CB-OE2 3.3Å; S107-E110 PolarHBondContact O-N 2.83Å; S107-N111 WeakPolarHBondContact O-CB 3.24Å; S107-N111 PolarHBondContact O-N 2.93Å; S107-G247 CarbonylContact C-O 3.26Å; S107-G247 VanDerWaalsContact CA-O 3.32Å; S107-G247 WeakPolarHBondContact CA-O 3.42Å; S107-D248 PolarHBondContact OG-N 3.43Å
108I95.8Very high93.9Very high18 Ų1854.8 Ų54.89%0.09228%0.283CS..BIsolated β-bridgetrans-107.2125.5176.1-61.1-178.1000109E110 L114 T115 F118 G247 V250I108-E110 VanDerWaalsContact C-OE2 3.25Å; I108-L114 HydrophobicContact CD1-CD2 4.41Å; I108-L114 HydrophobicContact CD1-CG 4.08Å; I108-L114 HydrophobicContact CG1-CD2 4.03Å; I108-L114 HydrophobicContact CG1-CG 3.97Å; I108-T115 HydrophobicContact CG2-CG2 4.13Å; I108-F118 HydrophobicContact CD1-CB 3.84Å; I108-F118 HydrophobicContact CD1-CD1 4.03Å; I108-F118 HydrophobicContact CD1-CG 3.97Å; I108-G247 PolarHBondContact N-O 3.49Å; I108-G247 PolarHBondContact O-N 2.89Å; I108-V250 HydrophobicContact CD1-CB 4.16Å; I108-V250 HydrophobicContact CD1-CG2 3.6Å
109P94.5Very high94.2Very high91 Ų9156.7 Ų56.759%0.59129%0.294SS*.THydrogen-bonded Turncis-93.64.412.337.6-38.6000116.2N111 T115P109-N111 PolarHBondContact O-N 3.33Å; P109-T115 WeakPolarHBondContact CA-OG1 3.46Å; P109-T115 HydrophobicContact CB-CG2 4.39Å; P109-T115 PolarHBondContact O-OG1 2.73Å
110E93.3Very high94.4Very high122 Ų12257.6 Ų57.657%0.5730%0.302SS*.THydrogen-bonded Turntrans-63.9-43.3-166.4-65.569.9-151.900113.6E49 S107 I108E49-E110 VanDerWaalsContact CG-O 3.31Å; E49-E110 WeakPolarHBondContact CG-O 3.11Å; S107-E110 VanDerWaalsContact CB-OE2 3.3Å; S107-E110 WeakPolarHBondContact CB-OE2 3.3Å; S107-E110 PolarHBondContact O-N 2.83Å; I108-E110 VanDerWaalsContact C-OE2 3.25Å
111N96.1Very high94.7Very high32 Ų3255.6 Ų55.617%0.17129%0.289CS..SBendtrans-86.9115.1175.7-176.5-96.5000110P106 S107 P109 N113 L114 T115P106-N111 HydrophobicContact CB-CB 3.82Å; S107-N111 WeakPolarHBondContact O-CB 3.24Å; S107-N111 PolarHBondContact O-N 2.93Å; P109-N111 PolarHBondContact O-N 3.33Å; N111-N113 PolarHBondContact O-N 2.87Å; N111-N113 PolarHBondContact OD1-N 3.43Å; N111-L114 HydrophobicContact CB-CB 4.44Å; N111-L114 WeakPolarHBondContact OD1-CB 3.39Å; N111-L114 PolarHBondContact OD1-N 2.96Å; N111-T115 VanDerWaalsContact O-CB 3.27Å; N111-T115 WeakPolarHBondContact O-CB 3.11Å; N111-T115 PolarHBondContact O-N 3.32Å; N111-T115 PolarHBondContact O-OG1 3.16Å
112R96.2Very high95.1Very high87 Ų8757.6 Ų57.633%0.32830%0.299SS..Hα-helixtrans-64.8-40.1-174.7-170.7-179.6-173.3158.47.2112.3N12 E49 T115 E116N12-R112 VanDerWaalsContact CB-NH1 3.28Å; E49-R112 WeakPolarHBondContact OE1-CB 3.33Å; E49-R112 PolarHBondContact OE1-N 2.82Å; R112-T115 PolarHBondContact O-N 2.83Å; R112-E116 VanDerWaalsContact O-CB 3.26Å; R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 PolarHBondContact O-N 3.3Å
113N97.5Very high95.8Very high6 Ų652.8 Ų52.83%0.03228%0.276CS..Hα-helixtrans-65.4-49.8-175.8-64-22.1000111.2F48 N111 Y117 H154F48-N113 VanDerWaalsContact CD1-ND2 3.26Å; F48-N113 WeakPolarHBondContact CD1-ND2 3.28Å; F48-N113 WeakPolarHBondContact CD2-ND2 3.39Å; F48-N113 WeakPolarHBondContact CE1-ND2 3.34Å; F48-N113 WeakPolarHBondContact CE2-ND2 3.48Å; F48-N113 WeakPolarHBondContact CG-ND2 3.24Å; F48-N113 WeakPolarHBondContact CZ-ND2 3.3Å; N111-N113 PolarHBondContact O-N 2.87Å; N111-N113 PolarHBondContact OD1-N 3.43Å; N113-Y117 WeakPolarHBondContact O-CB 3.17Å; N113-Y117 PolarHBondContact O-N 3.25Å; N113-H154 HydrophobicContact CB-CB 4.09Å
114L97.7Very high96.3Very high1 Ų149.4 Ų49.41%0.00526%0.264CS..Hα-helixtrans-64.9-39.8176.8-179.560.5000112P106 I108 N111 Y117 F118 M159 V250 A251P106-L114 HydrophobicContact CB-CB 4.41Å; P106-L114 HydrophobicContact CB-CD2 3.96Å; P106-L114 HydrophobicContact CG-CD2 4.09Å; P106-L114 WeakPolarHBondContact O-CD2 3.42Å; I108-L114 HydrophobicContact CD1-CD2 4.41Å; I108-L114 HydrophobicContact CD1-CG 4.08Å; I108-L114 HydrophobicContact CG1-CD2 4.03Å; I108-L114 HydrophobicContact CG1-CG 3.97Å; N111-L114 HydrophobicContact CB-CB 4.44Å; N111-L114 WeakPolarHBondContact OD1-CB 3.39Å; N111-L114 PolarHBondContact OD1-N 2.96Å; L114-Y117 HydrophobicContact CD1-CD1 4.29Å; L114-F118 VanDerWaalsContact O-CB 3.28Å; L114-F118 WeakPolarHBondContact O-CB 3.39Å; L114-F118 PolarHBondContact O-N 2.71Å; L114-M159 HydrophobicContact CD1-CE 3.76Å; L114-M159 HydrophobicContact CD1-SD 3.93Å; L114-M159 HydrophobicContact CD2-CE 4.35Å; L114-V250 HydrophobicContact CD1-CG1 3.96Å; L114-V250 HydrophobicContact CD2-CB 4.45Å; L114-A251 HydrophobicContact CD2-CB 4.22Å
115T97.4Very high96.7Very high29 Ų2943.1 Ų43.118%0.17824%0.235CC..Hα-helixtrans-64.3-51.2179.8-600000111.7I108 P109 N111 R112 F118 V119I108-T115 HydrophobicContact CG2-CG2 4.13Å; P109-T115 WeakPolarHBondContact CA-OG1 3.46Å; P109-T115 HydrophobicContact CB-CG2 4.39Å; P109-T115 PolarHBondContact O-OG1 2.73Å; N111-T115 VanDerWaalsContact O-CB 3.27Å; N111-T115 WeakPolarHBondContact O-CB 3.11Å; N111-T115 PolarHBondContact O-N 3.32Å; N111-T115 PolarHBondContact O-OG1 3.16Å; R112-T115 PolarHBondContact O-N 2.83Å; T115-F118 PolarHBondContact O-N 3.41Å; T115-V119 WeakPolarHBondContact O-CB 3.22Å; T115-V119 VanDerWaalsContact O-CG2 3.27Å; T115-V119 WeakPolarHBondContact O-CG2 3.2Å; T115-V119 PolarHBondContact O-N 2.78Å
116E97.4Very high96.9Very high55 Ų5542.2 Ų42.226%0.25723%0.23SC..Hα-helixtrans-64.5-40.3178.2-178.995.3179.500111R112 V119 A120 S147 T148 A151R112-E116 VanDerWaalsContact O-CB 3.26Å; R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 PolarHBondContact O-N 3.3Å; E116-V119 PolarHBondContact O-N 2.7Å; E116-A120 WeakPolarHBondContact O-CB 3.3Å; E116-A120 PolarHBondContact O-N 2.87Å; E116-S147 PolarHBondContact OE1-OG 2.82Å; E116-T148 HydrophobicContact CG-CG2 4.21Å; E116-T148 WeakPolarHBondContact OE1-CA 3.24Å; E116-T148 WeakPolarHBondContact OE1-CB 3.17Å; E116-T148 PolarHBondContact OE1-N 2.82Å; E116-T148 PolarHBondContact OE1-OG1 3.16Å; E116-A151 HydrophobicContact CB-CB 3.7Å; E116-A151 HydrophobicContact CG-CB 3.65Å
117Y98.4Very high97Very high1 Ų140.5 Ų40.50%0.00422%0.219CC..Hα-helixtrans-60-48.4173.8172.1-135000112.5N113 L114 V119 A120 V121 M126 L129 C152 G155 M159N113-Y117 WeakPolarHBondContact O-CB 3.17Å; N113-Y117 PolarHBondContact O-N 3.25Å; L114-Y117 HydrophobicContact CD1-CD1 4.29Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 2.75Å; Y117-A120 PolarHBondContact O-N 3.48Å; Y117-V121 HydrophobicContact CD2-CB 3.87Å; Y117-V121 HydrophobicContact CD2-CG2 3.68Å; Y117-V121 HydrophobicContact CE2-CB 3.76Å; Y117-V121 HydrophobicContact CE2-CG1 3.98Å; Y117-V121 HydrophobicContact CE2-CG2 3.82Å; Y117-V121 WeakPolarHBondContact O-CB 3.28Å; Y117-V121 PolarHBondContact O-N 3.46Å; Y117-M126 HydrophobicContact CD1-CE 3.9Å; Y117-M126 HydrophobicContact CE1-CE 3.4Å; Y117-M126 VanDerWaalsContact CE1-CE 3.4Å; Y117-M126 HydrophobicContact CE2-CE 4.48Å; Y117-M126 HydrophobicContact CE2-CG 4.31Å; Y117-L129 HydrophobicContact CE2-CD1 3.99Å; Y117-C152 HydrophobicContact CD2-CB 4.13Å; Y117-G155 VanDerWaalsContact CD1-C 3.49Å; Y117-M159 HydrophobicContact CE1-CG 4.38Å
118F97.6Very high97.2Very high43 Ų4341 Ų4119%0.18922%0.218CC..Hα-helixtrans-69.3-28.9-179.6-176.2-99.4000113.2I108 L114 T115 V123 M126 T245 V250I108-F118 HydrophobicContact CD1-CB 3.84Å; I108-F118 HydrophobicContact CD1-CD1 4.03Å; I108-F118 HydrophobicContact CD1-CG 3.97Å; L114-F118 VanDerWaalsContact O-CB 3.28Å; L114-F118 WeakPolarHBondContact O-CB 3.39Å; L114-F118 PolarHBondContact O-N 2.71Å; T115-F118 PolarHBondContact O-N 3.41Å; F118-V123 HydrophobicContact CE2-CG2 4.46Å; F118-M126 HydrophobicContact CD2-CE 3.9Å; F118-M126 HydrophobicContact CD2-SD 3.78Å; F118-M126 HydrophobicContact CE2-SD 4.19Å; F118-T245 HydrophobicContact CE1-CG2 3.83Å; F118-T245 HydrophobicContact CE2-CG2 4.1Å; F118-T245 HydrophobicContact CZ-CG2 3.32Å; F118-V250 HydrophobicContact CD2-CG1 4.15Å; F118-V250 HydrophobicContact CD2-CG2 3.97Å; F118-V250 HydrophobicContact CE2-CG2 4.13Å; F118-V250 HydrophobicContact CG-CG2 4.27Å
119V96.8Very high97.3Very high122 Ų12240.2 Ų40.274%0.73921%0.213SC*.Hα-helixtrans-77.9-33.6174.7169.20000112T115 E116 Y117T115-V119 WeakPolarHBondContact O-CB 3.22Å; T115-V119 VanDerWaalsContact O-CG2 3.27Å; T115-V119 WeakPolarHBondContact O-CG2 3.2Å; T115-V119 PolarHBondContact O-N 2.78Å; E116-V119 PolarHBondContact O-N 2.7Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 2.75Å
120A97.6Very high97.5Very high23 Ų2336 Ų3619%0.1919%0.186CC..Hα-helixtrans-93.7-25.4-174.400000114.9E116 Y117 T148 V212 N215E116-A120 WeakPolarHBondContact O-CB 3.3Å; E116-A120 PolarHBondContact O-N 2.87Å; Y117-A120 PolarHBondContact O-N 3.48Å; A120-T148 HydrophobicContact CB-CG2 3.34Å; A120-V212 HydrophobicContact CB-CG1 3.85Å; A120-N215 PolarHBondContact O-ND2 3.46Å
121V98.4Very high97.8Very high4 Ų430.2 Ų30.22%0.02416%0.159CC..SBendtrans-114.1122.6-173.8-177.60000111.7Y117 N125 M126 C152 L210 V212Y117-V121 HydrophobicContact CD2-CB 3.87Å; Y117-V121 HydrophobicContact CD2-CG2 3.68Å; Y117-V121 HydrophobicContact CE2-CB 3.76Å; Y117-V121 HydrophobicContact CE2-CG1 3.98Å; Y117-V121 HydrophobicContact CE2-CG2 3.82Å; Y117-V121 WeakPolarHBondContact O-CB 3.28Å; Y117-V121 PolarHBondContact O-N 3.46Å; V121-N125 HydrophobicContact CG1-CB 3.58Å; V121-M126 HydrophobicContact CB-CG 4.29Å; V121-M126 HydrophobicContact CG1-CG 3.94Å; V121-C152 VanDerWaalsContact CG2-SG 3.55Å; V121-L210 HydrophobicContact CG1-CD2 4.01Å; V121-L210 HydrophobicContact CG2-CD2 4.25Å; V121-V212 HydrophobicContact CG2-CG1 4.03Å; V121-V212 HydrophobicContact CG2-CG2 4.19Å
122D97.6Very high97.9Very high90 Ų9028.8 Ų28.848%0.48115%0.151SC..  trans-60.5141.5-177.8-148.832.1000111.7N124 N125 M126 N215D122-N124 CarbonylContact O-C 3.59Å; D122-N124 PolarHBondContact O-N 3.3Å; D122-N125 HydrophobicContact CB-CB 4.49Å; D122-N125 WeakPolarHBondContact O-CA 3.33Å; D122-N125 WeakPolarHBondContact O-CB 3.39Å; D122-N125 PolarHBondContact O-N 2.96Å; D122-M126 PolarHBondContact O-N 3.45Å; D122-N215 HydrophobicContact CB-CB 4.41Å; D122-N215 WeakPolarHBondContact CB-OD1 3.28Å; D122-N215 PolarHBondContact N-OD1 3Å
123V97.5Very high98Very high21 Ų2124.8 Ų24.813%0.12714%0.136CC..Hα-helixtrans-55.6-27.5-174.5173.40000113.1F118 L127 K236 L239 K240F118-V123 HydrophobicContact CE2-CG2 4.46Å; V123-L127 HydrophobicContact CG1-CD1 4.5Å; V123-L127 WeakPolarHBondContact O-CD1 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.26Å; V123-L127 WeakPolarHBondContact O-CG 3.33Å; V123-L127 PolarHBondContact O-N 2.77Å; V123-K236 HydrophobicContact CG1-CG 4.48Å; V123-L239 HydrophobicContact CG1-CB 3.61Å; V123-L239 HydrophobicContact CG1-CD1 4.06Å; V123-L239 HydrophobicContact CG2-CB 4.13Å; V123-K240 HydrophobicContact CG1-CG 4.24Å
124N97.8Very high98.1Very high57 Ų5724.6 Ų24.631%0.30514%0.135SC..Hα-helixtrans-68.6-44.7172.3-62-48.2000111.9D122 L127 H128 K236D122-N124 CarbonylContact O-C 3.59Å; D122-N124 PolarHBondContact O-N 3.3Å; N124-L127 WeakPolarHBondContact O-CB 3.5Å; N124-L127 PolarHBondContact O-N 3.46Å; N124-H128 PolarHBondContact O-CD2 3.48Å; N124-H128 VanDerWaalsContact O-CD2 3.27Å; N124-H128 PolarHBondContact O-N 3.04Å; N124-K236 WeakPolarHBondContact OD1-CE 3.41Å; N124-K236 PolarHBondContact OD1-NZ 2.83Å
125N98.4Very high98.1Very high14 Ų1426.1 Ų26.18%0.07514%0.141CC..Hα-helixtrans-68.9-36.9180-67.1-20.5000111.4V121 D122 L127 H128 L129 L210 N215V121-N125 HydrophobicContact CG1-CB 3.58Å; D122-N125 HydrophobicContact CB-CB 4.49Å; D122-N125 WeakPolarHBondContact O-CA 3.33Å; D122-N125 WeakPolarHBondContact O-CB 3.39Å; D122-N125 PolarHBondContact O-N 2.96Å; N125-L127 VanDerWaalsContact C-N 3.27Å; N125-L127 PolarHBondContact O-N 3.49Å; N125-H128 PolarHBondContact O-N 2.91Å; N125-L129 PolarHBondContact O-N 3.26Å; N125-L210 HydrophobicContact CB-CD1 4.04Å; N125-N215 PolarHBondContact ND2-O 2.97Å; N125-N215 PolarHBondContact ND2-OD1 2.92Å
126M98.6Very high98.1Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-56.3-41.3170.4-60.2-175.686.400112.2Y117 F118 V121 D122 Y130 V250 F254Y117-M126 HydrophobicContact CD1-CE 3.9Å; Y117-M126 HydrophobicContact CE1-CE 3.4Å; Y117-M126 VanDerWaalsContact CE1-CE 3.4Å; Y117-M126 HydrophobicContact CE2-CE 4.48Å; Y117-M126 HydrophobicContact CE2-CG 4.31Å; F118-M126 HydrophobicContact CD2-CE 3.9Å; F118-M126 HydrophobicContact CD2-SD 3.78Å; F118-M126 HydrophobicContact CE2-SD 4.19Å; V121-M126 HydrophobicContact CB-CG 4.29Å; V121-M126 HydrophobicContact CG1-CG 3.94Å; D122-M126 PolarHBondContact O-N 3.45Å; M126-Y130 VanDerWaalsContact O-CB 3.26Å; M126-Y130 WeakPolarHBondContact O-CB 3.37Å; M126-Y130 PolarHBondContact O-N 2.94Å; M126-V250 HydrophobicContact CE-CG1 4.4Å; M126-F254 HydrophobicContact CB-CZ 4.37Å; M126-F254 HydrophobicContact CE-CE2 4.03Å; M126-F254 HydrophobicContact CE-CZ 4.28Å
127L98.5Very high98.1Very high1 Ų125.9 Ų25.91%0.00514%0.136CC..Hα-helixtrans-69.2-38.7177.3-69.3165000112V123 N124 N125 A131 L224 L235 K236V123-L127 HydrophobicContact CG1-CD1 4.5Å; V123-L127 WeakPolarHBondContact O-CD1 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.26Å; V123-L127 WeakPolarHBondContact O-CG 3.33Å; V123-L127 PolarHBondContact O-N 2.77Å; N124-L127 WeakPolarHBondContact O-CB 3.5Å; N124-L127 PolarHBondContact O-N 3.46Å; N125-L127 VanDerWaalsContact C-N 3.27Å; N125-L127 PolarHBondContact O-N 3.49Å; L127-A131 WeakPolarHBondContact O-CB 3.31Å; L127-A131 PolarHBondContact O-N 2.91Å; L127-L224 HydrophobicContact CB-CD1 3.98Å; L127-L224 HydrophobicContact CB-CD2 3.95Å; L127-L235 HydrophobicContact CD2-CB 4.26Å; L127-L235 HydrophobicContact CD2-CD2 3.44Å; L127-L235 VanDerWaalsContact CD2-CD2 3.44Å; L127-L235 HydrophobicContact CD2-CG 3.7Å; L127-K236 HydrophobicContact CD1-CB 3.83Å; L127-K236 HydrophobicContact CD1-CD 3.7Å; L127-K236 HydrophobicContact CD1-CG 3.78Å
128H98.5Very high98.1Very high44 Ų4427.7 Ų27.720%0.20414%0.143CC..Hα-helixtrans-68.2-42175.8-83.3-77.3000112.6N124 N125 A131 S132 L217N124-H128 PolarHBondContact O-CD2 3.48Å; N124-H128 VanDerWaalsContact O-CD2 3.27Å; N124-H128 PolarHBondContact O-N 3.04Å; N125-H128 PolarHBondContact O-N 2.91Å; H128-A131 PolarHBondContact O-N 3.16Å; H128-S132 WeakPolarHBondContact O-CB 3.47Å; H128-S132 PolarHBondContact O-N 2.99Å; H128-S132 PolarHBondContact O-OG 3.37Å; H128-L217 HydrophobicContact CB-CD1 3.52Å; H128-L217 HydrophobicContact CB-CD2 3.95Å; H128-L217 HydrophobicContact CB-CG 4.4Å
129L98.6Very high98.2Very high1 Ų125.7 Ų25.71%0.00513%0.134CC..Hα-helixtrans-60-49.2172-74.6-177.2000111.2Y117 N125 A131 S132 M133 I139 I141 L210Y117-L129 HydrophobicContact CE2-CD1 3.99Å; N125-L129 PolarHBondContact O-N 3.26Å; L129-A131 PolarHBondContact O-N 2.98Å; L129-S132 PolarHBondContact O-N 2.95Å; L129-M133 WeakPolarHBondContact O-CG 3.25Å; L129-M133 PolarHBondContact O-N 2.86Å; L129-I139 HydrophobicContact CD2-CG2 3.83Å; L129-I141 HydrophobicContact CD1-CD1 4.08Å; L129-I141 HydrophobicContact CD2-CD1 4.26Å; L129-I141 HydrophobicContact CD2-CG1 4.43Å; L129-L210 HydrophobicContact CD1-CD2 3.66Å; L129-L210 HydrophobicContact CD2-CB 4.32Å; L129-L210 HydrophobicContact CD2-CD2 4.15Å; L129-L210 HydrophobicContact CG-CD2 4Å
130Y98.7Very high98.2Very high4 Ų420 Ų202%0.01610%0.099CC..Hα-helixtrans-58.4-45.8178.4176.9-107.3000111.8M126 M133 L134 L160 L235 F254 Q258 L261M126-Y130 VanDerWaalsContact O-CB 3.26Å; M126-Y130 WeakPolarHBondContact O-CB 3.37Å; M126-Y130 PolarHBondContact O-N 2.94Å; Y130-M133 PolarHBondContact O-N 2.89Å; Y130-L134 HydrophobicContact CD1-CD1 4.09Å; Y130-L134 HydrophobicContact CE1-CD1 3.6Å; Y130-L134 HydrophobicContact CE2-CD1 4.21Å; Y130-L134 HydrophobicContact CE2-CG 4.47Å; Y130-L134 WeakPolarHBondContact O-CG 3.45Å; Y130-L134 PolarHBondContact O-N 2.93Å; Y130-L160 HydrophobicContact CD2-CD2 4.45Å; Y130-L235 HydrophobicContact CD1-CD2 4.16Å; Y130-L235 HydrophobicContact CE1-CD2 4.1Å; Y130-F254 HydrophobicContact CD1-CD1 4.39Å; Y130-F254 HydrophobicContact CD1-CE1 4.23Å; Y130-F254 AromaticContact CD2-CD1 3.65Å; Y130-F254 HydrophobicContact CD2-CD1 3.65Å; Y130-F254 AromaticContact CD2-CE1 3.81Å; Y130-F254 HydrophobicContact CD2-CE1 3.81Å; Y130-F254 HydrophobicContact CE1-CD1 4.49Å; Y130-F254 AromaticContact CE2-CD1 3.81Å; Y130-F254 HydrophobicContact CE2-CD1 3.81Å; Y130-F254 HydrophobicContact CE2-CE1 4.4Å; Y130-F254 AromaticContact CG-CD1 3.97Å; Y130-F254 HydrophobicContact CG-CD1 3.97Å; Y130-F254 AromaticContact CG-CE1 3.72Å; Y130-F254 HydrophobicContact CG-CE1 3.72Å; Y130-Q258 HydrophobicContact CE2-CG 4.49Å; Y130-Q258 PolarHBondContact OH-OE1 3.2Å; Y130-L261 HydrophobicContact CE1-CD1 4.33Å; Y130-L261 WeakPolarHBondContact OH-CD1 3.49Å
131A98.4Very high98.3Very high0 Ų018.9 Ų18.90%09%0.09CC..Hα-helixtrans-61-46.8173.700000112.1L127 H128 L129 M133 L134 Y135 D223 L224 L227L127-A131 WeakPolarHBondContact O-CB 3.31Å; L127-A131 PolarHBondContact O-N 2.91Å; H128-A131 PolarHBondContact O-N 3.16Å; L129-A131 PolarHBondContact O-N 2.98Å; A131-M133 VanDerWaalsContact C-N 3.28Å; A131-M133 PolarHBondContact O-N 2.88Å; A131-L134 CarbonylContact O-C 3.54Å; A131-L134 WeakPolarHBondContact O-CA 3.21Å; A131-L134 PolarHBondContact O-N 3.31Å; A131-L134 VanDerWaalsContact O-N 3.08Å; A131-Y135 WeakPolarHBondContact O-CD2 2.98Å; A131-Y135 PolarHBondContact O-N 2.68Å; A131-Y135 VanDerWaalsContact O-N 3.11Å; A131-D223 HydrophobicContact CB-CB 4.05Å; A131-L224 HydrophobicContact CB-CB 3.93Å; A131-L224 HydrophobicContact CB-CD1 4.16Å; A131-L227 HydrophobicContact CB-CD1 3.74Å; A131-L227 HydrophobicContact CB-CG 4.34Å
132S98.6Very high98.3Very high2 Ų218.8 Ų18.81%0.0149%0.09CC..Hα-helixtrans-64-32.8-179.4-54.30000112.4H128 L129 Y135 E136 R137H128-S132 WeakPolarHBondContact O-CB 3.47Å; H128-S132 PolarHBondContact O-N 2.99Å; H128-S132 PolarHBondContact O-OG 3.37Å; L129-S132 PolarHBondContact O-N 2.95Å; S132-Y135 CarbonylContact O-C 3.6Å; S132-Y135 PolarHBondContact O-N 3.31Å; S132-E136 PolarHBondContact O-N 3.15Å; S132-R137 WeakPolarHBondContact O-CB 3.24Å; S132-R137 WeakPolarHBondContact O-CG 3.29Å; S132-R137 PolarHBondContact O-N 2.88Å
133M98.6Very high98.3Very high2 Ų214.6 Ų14.61%0.017%0.067CC..Hα-helixtrans-70.3-38.8172.1-70.8-177.6-64.600112L129 Y130 A131 Y135 E136 I139 S156 L160 W165 L188L129-M133 WeakPolarHBondContact O-CG 3.25Å; L129-M133 PolarHBondContact O-N 2.86Å; Y130-M133 PolarHBondContact O-N 2.89Å; A131-M133 VanDerWaalsContact C-N 3.28Å; A131-M133 PolarHBondContact O-N 2.88Å; M133-Y135 PolarHBondContact O-N 3.31Å; M133-E136 PolarHBondContact O-N 2.87Å; M133-I139 HydrophobicContact CB-CD1 4.39Å; M133-I139 HydrophobicContact CG-CD1 3.52Å; M133-S156 WeakPolarHBondContact CE-O 3.23Å; M133-L160 HydrophobicContact CB-CD1 4.21Å; M133-L160 HydrophobicContact CB-CD2 3.89Å; M133-L160 HydrophobicContact CE-CD2 4.25Å; M133-L160 HydrophobicContact CE-CG 4.37Å; M133-L160 HydrophobicContact SD-CD1 3.98Å; M133-L160 HydrophobicContact SD-CD2 4.48Å; M133-L160 HydrophobicContact SD-CG 4.28Å; M133-W165 HydrophobicContact CB-CE3 4.44Å; M133-W165 HydrophobicContact CB-CZ3 4.12Å; M133-W165 HydrophobicContact CG-CE3 4.37Å; M133-W165 HydrophobicContact CG-CZ3 4.17Å; M133-L188 HydrophobicContact SD-CD2 4.11Å
134L98.3Very high98.2Very high2 Ų216.2 Ų16.21%0.018%0.079CC..Hα-helixtrans-69-6.9173.6-68.7-178.1000114.3Y130 A131 L160 L227 L261 F262 F295 L302Y130-L134 HydrophobicContact CD1-CD1 4.09Å; Y130-L134 HydrophobicContact CE1-CD1 3.6Å; Y130-L134 HydrophobicContact CE2-CD1 4.21Å; Y130-L134 HydrophobicContact CE2-CG 4.47Å; Y130-L134 WeakPolarHBondContact O-CG 3.45Å; Y130-L134 PolarHBondContact O-N 2.93Å; A131-L134 CarbonylContact O-C 3.54Å; A131-L134 WeakPolarHBondContact O-CA 3.21Å; A131-L134 PolarHBondContact O-N 3.31Å; A131-L134 VanDerWaalsContact O-N 3.08Å; L134-L160 HydrophobicContact CD2-CD2 4.24Å; L134-L227 HydrophobicContact CD1-CD1 4.37Å; L134-L227 HydrophobicContact CD1-CD2 4.24Å; L134-L261 HydrophobicContact CD1-CD1 3.72Å; L134-F262 HydrophobicContact CD2-CE2 3.8Å; L134-F262 HydrophobicContact CD2-CZ 3.92Å; L134-F295 HydrophobicContact CB-CE2 4.47Å; L134-F295 HydrophobicContact CD1-CE2 4.36Å; L134-F295 HydrophobicContact CD1-CZ 4.46Å; L134-L302 WeakPolarHBondContact O-CD1 3.29Å; L134-L302 WeakPolarHBondContact O-CD2 3.45Å
135Y97.8Very high98.1Very high34 Ų3418.9 Ų18.913%0.1339%0.088CC..THydrogen-bonded Turntrans-112.612.3169.6-80.8-94000112.5A131 S132 M133 R137 D223 S226 L227 N298A131-Y135 WeakPolarHBondContact O-CD2 2.98Å; A131-Y135 PolarHBondContact O-N 2.68Å; A131-Y135 VanDerWaalsContact O-N 3.11Å; S132-Y135 CarbonylContact O-C 3.6Å; S132-Y135 PolarHBondContact O-N 3.31Å; M133-Y135 PolarHBondContact O-N 3.31Å; Y135-R137 VanDerWaalsContact C-N 3.27Å; Y135-R137 PolarHBondContact O-N 2.84Å; Y135-D223 HydrophobicContact CD2-CB 3.66Å; Y135-D223 HydrophobicContact CE2-CB 4.09Å; Y135-D223 HydrophobicContact CG-CB 4.13Å; Y135-S226 WeakPolarHBondContact OH-CB 3.21Å; Y135-L227 HydrophobicContact CE2-CD2 3.98Å; Y135-N298 HydrophobicContact CE1-CB 4.41Å; Y135-N298 WeakPolarHBondContact CE1-ND2 3.18Å
136E97.9Very high98Very high22 Ų2219.7 Ų19.710%0.1039%0.092CC..THydrogen-bonded Turntrans41.851.9-176.3-70.5-174.7163.400112.8S132 M133 W165 H167 P186 L302 Q303 L304S132-E136 PolarHBondContact O-N 3.15Å; M133-E136 PolarHBondContact O-N 2.87Å; E136-W165 HydrophobicContact CB-CH2 4.34Å; E136-W165 HydrophobicContact CB-CZ3 4.48Å; E136-W165 HydrophobicContact CG-CH2 4.42Å; E136-W165 HydrophobicContact CG-CZ3 4.13Å; E136-H167 IonicContact OE1-CD2 2.82Å; E136-H167 IonicContact OE1-NE2 3.37Å; E136-H167 IonicContact OE2-CD2 3.84Å; E136-H167 IonicContact OE2-CE1 2.98Å; E136-H167 IonicContact OE2-NE2 2.85Å; E136-H167 PolarHBondContact OE2-NE2 3.43Å; E136-P186 HydrophobicContact CB-CB 4.17Å; E136-P186 HydrophobicContact CB-CG 4.01Å; E136-P186 VanDerWaalsContact O-CB 3.23Å; E136-P186 WeakPolarHBondContact O-CB 3.34Å; E136-P186 WeakPolarHBondContact O-CG 3.26Å; E136-L302 HydrophobicContact CB-CD2 4.34Å; E136-L302 HydrophobicContact CG-CB 4.46Å; E136-L302 HydrophobicContact CG-CD2 4.04Å; E136-Q303 VanDerWaalsContact CD-N 3.31Å; E136-Q303 PolarHBondContact OE1-N 3.22Å; E136-Q303 PolarHBondContact OE2-N 2.86Å; E136-L304 HydrophobicContact CG-CD2 3.78Å; E136-L304 HydrophobicContact CG-CG 4.41Å; E136-L304 WeakPolarHBondContact OE1-CB 3.17Å; E136-L304 WeakPolarHBondContact OE1-CD2 3.34Å; E136-L304 VanDerWaalsContact OE1-CG 3.27Å; E136-L304 WeakPolarHBondContact OE1-CG 3.04Å; E136-L304 PolarHBondContact OE1-N 2.91Å
137R98Very high97.9Very high57 Ų5720.5 Ų20.522%0.21510%0.098CC..  trans-71.8165.9176.4-59.9-49.2-172.6-175.5-4.5112.4S132 Y135 I139 W165 V208 Y221 D223S132-R137 WeakPolarHBondContact O-CB 3.24Å; S132-R137 WeakPolarHBondContact O-CG 3.29Å; S132-R137 PolarHBondContact O-N 2.88Å; Y135-R137 VanDerWaalsContact C-N 3.27Å; Y135-R137 PolarHBondContact O-N 2.84Å; R137-I139 HydrophobicContact CB-CG1 3.98Å; R137-W165 WeakPolarHBondContact O-CH2 3.32Å; R137-V208 HydrophobicContact CB-CG2 3.99Å; R137-V208 HydrophobicContact CG-CG2 4.17Å; R137-Y221 HydrophobicContact CB-CE2 4.44Å; R137-Y221 VanDerWaalsContact CD-CE2 3.5Å; R137-Y221 HydrophobicContact CG-CD2 3.94Å; R137-Y221 HydrophobicContact CG-CE2 4.02Å; R137-D223 VanDerWaalsContact CG-OD2 3.29Å; R137-D223 WeakPolarHBondContact CG-OD2 3.39Å; R137-D223 IonicContact CZ-OD1 3.53Å; R137-D223 IonicContact CZ-OD2 3.84Å; R137-D223 IonicContact NE-OD1 2.79Å; R137-D223 PolarHBondContact NE-OD1 3.39Å; R137-D223 IonicContact NE-OD2 3.82Å; R137-D223 PolarHBondContact NE-OD2 3.16Å; R137-D223 IonicContact NH2-OD1 2.7Å; R137-D223 PolarHBondContact NH2-OD1 3.45Å; R137-D223 IonicContact NH2-OD2 2.77Å
138R98.1Very high97.9Very high39 Ų3920.9 Ų20.915%0.14710%0.1CC..EExtended strand (participates in β ladder)trans-80.5113.8160.5-72.8179.2-70134.18.4107.9A183 M185 F187 D205 D206 V207 V208R138-A183 WeakPolarHBondContact CD-O 3.27Å; R138-M185 WeakPolarHBondContact CD-O 3.37Å; R138-M185 VanDerWaalsContact CG-O 3.28Å; R138-M185 WeakPolarHBondContact CG-O 3.38Å; R138-F187 HydrophobicContact CB-CD1 3.86Å; R138-F187 HydrophobicContact CB-CD2 4.29Å; R138-F187 HydrophobicContact CB-CE1 3.64Å; R138-F187 HydrophobicContact CB-CE2 4.08Å; R138-F187 HydrophobicContact CB-CG 4.19Å; R138-F187 HydrophobicContact CB-CZ 3.76Å; R138-F187 HydrophobicContact CG-CD1 3.55Å; R138-F187 HydrophobicContact CG-CE1 3.66Å; R138-F187 HydrophobicContact CG-CG 4.13Å; R138-F187 HydrophobicContact CG-CZ 4.31Å; R138-D205 PolarHBondContact NH1-O 2.8Å; R138-D205 PolarHBondContact NH2-O 3.41Å; R138-D206 PolarHBondContact NH2-O 3.07Å; R138-V207 HydrophobicContact CB-CG2 4.19Å; R138-V208 PolarHBondContact O-N 3.41Å
139I98.6Very high97.9Very high0 Ų018.8 Ų18.80%09%0.091CC..EExtended strand (participates in β ladder)trans-121.9121.7-170.1-55.9171.8000109.4L129 M133 R137 I141 F187 L188 I189 V208L129-I139 HydrophobicContact CD2-CG2 3.83Å; M133-I139 HydrophobicContact CB-CD1 4.39Å; M133-I139 HydrophobicContact CG-CD1 3.52Å; R137-I139 HydrophobicContact CB-CG1 3.98Å; I139-I141 HydrophobicContact CG2-CG1 4.34Å; I139-F187 PolarHBondContact N-O 3.09Å; I139-F187 WeakPolarHBondContact O-CD2 3.36Å; I139-F187 WeakPolarHBondContact O-CE2 3.36Å; I139-L188 HydrophobicContact CB-CD1 3.92Å; I139-L188 HydrophobicContact CG2-CD1 3.73Å; I139-L188 WeakPolarHBondContact O-CA 3.45Å; I139-I189 PolarHBondContact O-N 3.08Å; I139-V208 WeakPolarHBondContact CA-O 3.27Å; I139-V208 HydrophobicContact CG1-CB 4.38Å
140L98.4Very high97.9Very high2 Ų218.7 Ų18.71%0.019%0.09CC..EExtended strand (participates in β ladder)trans-115.1122.8176.6-158155.4000109.5C181 F187 I189 V191 M196 V199 L204 V207 V208 L209 L210L140-C181 HydrophobicContact CD1-CB 4.32Å; L140-F187 HydrophobicContact CB-CE2 4.33Å; L140-I189 CarbonylContact C-O 3.58Å; L140-I189 WeakPolarHBondContact CA-O 3.31Å; L140-V191 HydrophobicContact CD1-CG2 4.07Å; L140-V191 HydrophobicContact CD2-CB 3.96Å; L140-V191 HydrophobicContact CD2-CG2 3.73Å; L140-V191 HydrophobicContact CG-CG2 3.94Å; L140-M196 HydrophobicContact CD2-CE 4.12Å; L140-M196 HydrophobicContact CD2-SD 3.72Å; L140-V199 HydrophobicContact CD1-CG1 3.65Å; L140-L204 HydrophobicContact CD1-CD1 4.45Å; L140-V207 HydrophobicContact CB-CG1 4.07Å; L140-V208 PolarHBondContact N-O 3.28Å; L140-L209 HydrophobicContact CB-CD1 4.33Å; L140-L209 HydrophobicContact CD2-CD1 3.75Å; L140-L209 WeakPolarHBondContact O-CA 3.43Å; L140-L210 PolarHBondContact O-N 3.13Å
141I98.7Very high97.9Very high0 Ų018.7 Ų18.70%09%0.091CC..EExtended strand (participates in β ladder)trans-105.9130.9175.4-56.5-173.3000108.4L129 I139 L149 C152 V153 L188 I189 G190 V191 L210 V212L129-I141 HydrophobicContact CD1-CD1 4.08Å; L129-I141 HydrophobicContact CD2-CD1 4.26Å; L129-I141 HydrophobicContact CD2-CG1 4.43Å; I139-I141 HydrophobicContact CG2-CG1 4.34Å; I141-L149 HydrophobicContact CB-CD1 4.44Å; I141-L149 HydrophobicContact CG2-CD1 4.13Å; I141-L149 VanDerWaalsContact O-CD1 3.28Å; I141-L149 WeakPolarHBondContact O-CD1 3.38Å; I141-C152 HydrophobicContact CD1-CB 4.42Å; I141-C152 HydrophobicContact CG2-CB 4.18Å; I141-V153 HydrophobicContact CB-CG2 4.37Å; I141-V153 HydrophobicContact CD1-CG2 4.03Å; I141-L188 HydrophobicContact CD1-CD1 4.17Å; I141-L188 HydrophobicContact CG1-CD1 4.47Å; I141-I189 PolarHBondContact N-O 3.5Å; I141-G190 CarbonylContact O-C 3.59Å; I141-G190 WeakPolarHBondContact O-CA 3.49Å; I141-V191 PolarHBondContact O-N 2.86Å; I141-L210 CarbonylContact C-O 3.07Å; I141-L210 WeakPolarHBondContact CA-O 3.32Å; I141-V212 HydrophobicContact CG2-CG2 3.61Å
142C97.9Very high97.9Very high3 Ų318.7 Ų18.72%0.029%0.091CC..EExtended strand (participates in β ladder)trans-116135-180162.20000110.9V191 M196 L209 L210 N211 V212C142-V191 WeakPolarHBondContact CA-O 3.17Å; C142-M196 HydrophobicContact CB-CG 3.95Å; C142-M196 HydrophobicContact CB-SD 3.9Å; C142-M196 WeakPolarHBondContact SG-CG 3.4Å; C142-L209 HydrophobicContact CB-CD1 4.39Å; C142-L210 PolarHBondContact N-O 3.05Å; C142-N211 HydrophobicContact CB-CB 4.46Å; C142-V212 WeakPolarHBondContact O-CB 3.48Å; C142-V212 PolarHBondContact O-N 3.09Å
143C98.1Very high97.9Very high2 Ų218.6 Ų18.61%0.0149%0.09CC..EExtended strand (participates in β ladder)trans-158.1149.8168.9-173.70000112.5K145 L149 V191 H192 S193 V212 D213C143-K145 PolarHBondContact O-N 3.35Å; C143-K145 PolarHBondContact SG-N 2.88Å; C143-K145 VanDerWaalsContact SG-N 3.41Å; C143-L149 HydrophobicContact CB-CB 4.08Å; C143-L149 HydrophobicContact CB-CD1 4.25Å; C143-V191 PolarHBondContact N-O 2.95Å; C143-H192 WeakPolarHBondContact O-CA 3.26Å; C143-H192 PolarHBondContact O-CD2 3.31Å; C143-H192 VanDerWaalsContact O-CD2 3.28Å; C143-S193 PolarHBondContact O-N 3.47Å; C143-V212 HydrophobicContact CB-CB 4.09Å; C143-D213 WeakPolarHBondContact CA-OD2 3.48Å; C143-D213 PolarHBondContact SG-OD1 3.43Å
144S96.1Very high97.9Very high54 Ų5419.1 Ų19.138%0.3789%0.093SC..SBendtrans-71.1-3.9171.963.40000115.2H192 S193 D213S144-H192 PolarHBondContact O-NE2 3.11Å; S144-S193 VanDerWaalsContact CA-OG 3.28Å; S144-S193 WeakPolarHBondContact CA-OG 3.38Å; S144-S193 PolarHBondContact N-OG 2.81Å; S144-D213 WeakPolarHBondContact CB-OD1 3.17Å; S144-D213 WeakPolarHBondContact CB-OD2 3.43Å; S144-D213 VanDerWaalsContact N-CG 3.31Å; S144-D213 PolarHBondContact N-OD1 3.28Å; S144-D213 PolarHBondContact N-OD2 3.47Å; S144-D213 PolarHBondContact OG-OD1 3.16Å
145K96Very high97.9Very high113 Ų11319.1 Ų19.149%0.4919%0.093SC..  trans-129.7116.2-175.6-69.9172.8-174.1170.10109.8C143 S147 T148 L149C143-K145 PolarHBondContact O-N 3.35Å; C143-K145 PolarHBondContact SG-N 2.88Å; C143-K145 VanDerWaalsContact SG-N 3.41Å; K145-S147 PolarHBondContact O-N 3.09Å; K145-T148 WeakPolarHBondContact CB-OG1 3.38Å; K145-T148 PolarHBondContact O-N 3.05Å; K145-T148 VanDerWaalsContact O-N 3.16Å; K145-L149 VanDerWaalsContact O-CB 3.26Å; K145-L149 WeakPolarHBondContact O-CB 3.19Å; K145-L149 PolarHBondContact O-N 3.18Å
146L96.5Very high98Very high31 Ų3117.5 Ų17.516%0.1629%0.087CC..Hα-helixtrans-60.4-31.7178.1-57.9-179000112.8F13 L31 L149 T150 V172 H192F13-L146 HydrophobicContact CB-CB 3.78Å; F13-L146 WeakPolarHBondContact CB-O 3.5Å; F13-L146 HydrophobicContact CD1-CB 3.91Å; F13-L146 HydrophobicContact CD1-CD1 3.98Å; F13-L146 HydrophobicContact CD2-CB 4.36Å; F13-L146 HydrophobicContact CE1-CD1 3.82Å; F13-L146 HydrophobicContact CE2-CD1 4.47Å; F13-L146 HydrophobicContact CG-CB 3.78Å; F13-L146 HydrophobicContact CG-CD1 4.38Å; F13-L146 HydrophobicContact CZ-CD1 4.09Å; L31-L146 HydrophobicContact CD2-CD1 4.49Å; L146-L149 HydrophobicContact CD2-CD2 4.35Å; L146-T150 WeakPolarHBondContact O-CG2 3.26Å; L146-T150 PolarHBondContact O-N 2.78Å; L146-T150 PolarHBondContact O-OG1 3.26Å; L146-V172 HydrophobicContact CD2-CG2 4.08Å; L146-H192 HydrophobicContact CD2-CB 4.17Å
147S96.5Very high98Very high18 Ų1817 Ų1713%0.1269%0.087CC..Hα-helixtrans-59.4-55.8173.255.60000111.2Q11 N12 E116 K145 T150 A151Q11-S147 PolarHBondContact NE2-OG 3.4Å; N12-S147 WeakPolarHBondContact O-CA 3.47Å; N12-S147 WeakPolarHBondContact O-CB 3.3Å; E116-S147 PolarHBondContact OE1-OG 2.82Å; K145-S147 PolarHBondContact O-N 3.09Å; S147-T150 PolarHBondContact O-OG1 3.01Å; S147-A151 WeakPolarHBondContact O-CB 3.37Å; S147-A151 PolarHBondContact O-N 3.02Å
148T98.2Very high98Very high8 Ų816.3 Ų16.35%0.0499%0.093CC..Hα-helixtrans-67.9-41-176.9-41.70000111E116 A120 K145 C152 V212E116-T148 HydrophobicContact CG-CG2 4.21Å; E116-T148 WeakPolarHBondContact OE1-CA 3.24Å; E116-T148 WeakPolarHBondContact OE1-CB 3.17Å; E116-T148 PolarHBondContact OE1-N 2.82Å; E116-T148 PolarHBondContact OE1-OG1 3.16Å; A120-T148 HydrophobicContact CB-CG2 3.34Å; K145-T148 WeakPolarHBondContact CB-OG1 3.38Å; K145-T148 PolarHBondContact O-N 3.05Å; K145-T148 VanDerWaalsContact O-N 3.16Å; T148-C152 WeakPolarHBondContact O-CB 3.36Å; T148-C152 PolarHBondContact O-N 3.06Å; T148-C152 PolarHBondContact O-SG 3Å; T148-V212 HydrophobicContact CG2-CG1 4.09Å
149L98.6Very high97.9Very high0 Ų014.7 Ų14.70%09%0.087CC..Hα-helixtrans-56.3-59.3176-177.861.2000112.2I141 C143 K145 L146 A151 C152 V153 V172 V191I141-L149 HydrophobicContact CB-CD1 4.44Å; I141-L149 HydrophobicContact CG2-CD1 4.13Å; I141-L149 VanDerWaalsContact O-CD1 3.28Å; I141-L149 WeakPolarHBondContact O-CD1 3.38Å; C143-L149 HydrophobicContact CB-CB 4.08Å; C143-L149 HydrophobicContact CB-CD1 4.25Å; K145-L149 VanDerWaalsContact O-CB 3.26Å; K145-L149 WeakPolarHBondContact O-CB 3.19Å; K145-L149 PolarHBondContact O-N 3.18Å; L146-L149 HydrophobicContact CD2-CD2 4.35Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 3.42Å; L149-C152 PolarHBondContact O-N 2.85Å; L149-V153 PolarHBondContact O-N 2.98Å; L149-V153 VanDerWaalsContact O-N 3.16Å; L149-V172 HydrophobicContact CD2-CB 4.2Å; L149-V172 HydrophobicContact CD2-CG2 4.05Å; L149-V191 WeakPolarHBondContact CD2-O 3.45Å
150T98.6Very high97.9Very high0 Ų014.7 Ų14.70%09%0.087CC..Hα-helixtrans-66.8-38.2-177.456.20000111F13 T14 L146 S147 C152 V153 H154 P171 V172F13-T150 HydrophobicContact CB-CG2 4.18Å; F13-T150 HydrophobicContact CD2-CG2 4.33Å; T14-T150 PolarHBondContact N-OG1 3.31Å; T14-T150 WeakPolarHBondContact O-CB 3.39Å; T14-T150 WeakPolarHBondContact O-CG2 3.4Å; L146-T150 WeakPolarHBondContact O-CG2 3.26Å; L146-T150 PolarHBondContact O-N 2.78Å; L146-T150 PolarHBondContact O-OG1 3.26Å; S147-T150 PolarHBondContact O-OG1 3.01Å; T150-C152 PolarHBondContact O-N 3.19Å; T150-V153 PolarHBondContact O-N 3Å; T150-H154 PolarHBondContact O-CD2 3.05Å; T150-H154 PolarHBondContact O-N 2.96Å; T150-P171 HydrophobicContact CG2-CB 4.06Å; T150-P171 WeakPolarHBondContact CG2-O 3.41Å; T150-V172 HydrophobicContact CG2-CB 3.94Å; T150-V172 HydrophobicContact CG2-CG1 3.76Å
151A98.4Very high97.9Very high3 Ų316.7 Ų16.73%0.02510%0.095CC..Hα-helixtrans-61.9-39.2174.100000113.2E116 S147 L149 G155E116-A151 HydrophobicContact CB-CB 3.7Å; E116-A151 HydrophobicContact CG-CB 3.65Å; S147-A151 WeakPolarHBondContact O-CB 3.37Å; S147-A151 PolarHBondContact O-N 3.02Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 3.42Å; A151-G155 VanDerWaalsContact O-CA 3.32Å; A151-G155 WeakPolarHBondContact O-CA 3.38Å; A151-G155 PolarHBondContact O-N 3.47Å
152C98.7Very high97.8Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-65-40.2175.2-70.60000111.7Y117 V121 I141 T148 L149 T150 S156Y117-C152 HydrophobicContact CD2-CB 4.13Å; V121-C152 VanDerWaalsContact CG2-SG 3.55Å; I141-C152 HydrophobicContact CD1-CB 4.42Å; I141-C152 HydrophobicContact CG2-CB 4.18Å; T148-C152 WeakPolarHBondContact O-CB 3.36Å; T148-C152 PolarHBondContact O-N 3.06Å; T148-C152 PolarHBondContact O-SG 3Å; L149-C152 PolarHBondContact O-N 2.85Å; T150-C152 PolarHBondContact O-N 3.19Å; C152-S156 WeakPolarHBondContact O-CB 3.28Å; C152-S156 PolarHBondContact O-N 2.98Å; C152-S156 PolarHBondContact O-OG 3.05Å
153V98.8Very high97.8Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-66.9-51.6176.6175.30000111.3I141 L149 T150 S156 A157 Y169 P171 L188I141-V153 HydrophobicContact CB-CG2 4.37Å; I141-V153 HydrophobicContact CD1-CG2 4.03Å; L149-V153 PolarHBondContact O-N 2.98Å; L149-V153 VanDerWaalsContact O-N 3.16Å; T150-V153 PolarHBondContact O-N 3Å; V153-S156 PolarHBondContact O-OG 2.77Å; V153-A157 WeakPolarHBondContact O-CB 3.43Å; V153-A157 PolarHBondContact O-N 3.29Å; V153-A157 VanDerWaalsContact O-N 3.14Å; V153-Y169 HydrophobicContact CG1-CD2 4.29Å; V153-Y169 HydrophobicContact CG1-CE2 3.51Å; V153-P171 HydrophobicContact CB-CB 4.2Å; V153-P171 HydrophobicContact CG1-CB 4.06Å; V153-P171 HydrophobicContact CG1-CG 4.08Å; V153-L188 HydrophobicContact CG1-CD2 4.17Å; V153-L188 HydrophobicContact CG1-CG 3.99Å
154H98.6Very high97.7Very high14 Ų1421.2 Ų21.27%0.06511%0.113CC..Hα-helixtrans-64.4-43.2178.1-68.1-66.1000112.5T14 F48 N113 T150 A158 Y169T14-H154 PolarHBondContact O-NE2 3.49Å; F48-H154 AromaticContact CE1-CD2 3.8Å; F48-H154 AromaticContact CE1-NE2 3.83Å; F48-H154 AromaticContact CZ-CE1 3.96Å; F48-H154 AromaticContact CZ-CG 3.97Å; F48-H154 AromaticContact CZ-ND1 3.82Å; N113-H154 HydrophobicContact CB-CB 4.09Å; T150-H154 PolarHBondContact O-CD2 3.05Å; T150-H154 PolarHBondContact O-N 2.96Å; H154-A158 WeakPolarHBondContact O-CB 3.09Å; H154-A158 PolarHBondContact O-N 3.08Å; H154-Y169 WeakPolarHBondContact CA-OH 3.39Å; H154-Y169 AromaticContact ND1-CZ 3.95Å; H154-Y169 PolarHBondContact ND1-OH 3.19Å
155G98.1Very high97.8Very high2 Ų219.1 Ų19.12%0.02110%0.097CC..Hα-helixtrans-69.7-38.5-177.500000113.4Y117 A151 M159Y117-G155 VanDerWaalsContact CD1-C 3.49Å; A151-G155 VanDerWaalsContact O-CA 3.32Å; A151-G155 WeakPolarHBondContact O-CA 3.38Å; A151-G155 PolarHBondContact O-N 3.47Å; G155-M159 WeakPolarHBondContact O-CG 3.42Å
156S98.5Very high97.9Very high0 Ų015.6 Ų15.60%08%0.083CC..Hα-helixtrans-69.8-47.7174.460.10000111.7M133 C152 V153 A158 M159M133-S156 WeakPolarHBondContact CE-O 3.23Å; C152-S156 WeakPolarHBondContact O-CB 3.28Å; C152-S156 PolarHBondContact O-N 2.98Å; C152-S156 PolarHBondContact O-OG 3.05Å; V153-S156 PolarHBondContact O-OG 2.77Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 3.17Å; S156-M159 WeakPolarHBondContact O-CB 3.22Å; S156-M159 PolarHBondContact O-N 3.07Å
157A98.4Very high97.9Very high12 Ų1216.8 Ų16.810%0.0999%0.087CC..Hα-helixtrans-58.7-36177.300000112.9V153 M159 L160 Y169 L188V153-A157 WeakPolarHBondContact O-CB 3.43Å; V153-A157 PolarHBondContact O-N 3.29Å; V153-A157 VanDerWaalsContact O-N 3.14Å; A157-M159 PolarHBondContact O-N 3.45Å; A157-L160 WeakPolarHBondContact O-CB 3.38Å; A157-L160 PolarHBondContact O-N 2.84Å; A157-Y169 HydrophobicContact CB-CE2 3.95Å; A157-L188 HydrophobicContact CB-CD2 4.05Å
158A97.4Very high98Very high41 Ų4117.9 Ų17.934%0.3399%0.093SC..Hα-helixtrans-62.9-23.7176.100000113.9H154 S156 L160 Y161H154-A158 WeakPolarHBondContact O-CB 3.09Å; H154-A158 PolarHBondContact O-N 3.08Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 3.17Å; A158-L160 PolarHBondContact O-N 3.42Å; A158-Y161 WeakPolarHBondContact O-CB 3.33Å; A158-Y161 PolarHBondContact O-N 3.35Å
159M97.8Very high98Very high6 Ų618.2 Ų18.23%0.039%0.093CC..THydrogen-bonded Turntrans-75.4-3.1177.7-58.2-59.489.900113.7P106 L114 Y117 G155 S156 A157 V250 A251 F254P106-M159 HydrophobicContact CG-CE 4.22Å; L114-M159 HydrophobicContact CD1-CE 3.76Å; L114-M159 HydrophobicContact CD1-SD 3.93Å; L114-M159 HydrophobicContact CD2-CE 4.35Å; Y117-M159 HydrophobicContact CE1-CG 4.38Å; G155-M159 WeakPolarHBondContact O-CG 3.42Å; S156-M159 WeakPolarHBondContact O-CB 3.22Å; S156-M159 PolarHBondContact O-N 3.07Å; A157-M159 PolarHBondContact O-N 3.45Å; M159-V250 HydrophobicContact SD-CG1 4.46Å; M159-A251 HydrophobicContact CE-CB 4.11Å; M159-F254 HydrophobicContact CB-CB 4.01Å; M159-F254 HydrophobicContact CB-CD1 3.87Å; M159-F254 HydrophobicContact CB-CD2 4.07Å; M159-F254 HydrophobicContact CB-CE1 4.31Å; M159-F254 HydrophobicContact CB-CE2 4.49Å; M159-F254 HydrophobicContact CB-CG 3.73Å; M159-F254 HydrophobicContact CG-CB 4.44Å; M159-F254 HydrophobicContact CG-CD1 4.33Å; M159-F254 HydrophobicContact CG-CD2 3.7Å; M159-F254 HydrophobicContact CG-CE2 3.92Å; M159-F254 HydrophobicContact CG-CG 3.92Å; M159-F254 HydrophobicContact CG-CZ 4.34Å; M159-F254 HydrophobicContact SD-CB 4.08Å; M159-F254 HydrophobicContact SD-CD2 3.34Å; M159-F254 WeakPolarHBondContact SD-CD2 3.3Å; M159-F254 HydrophobicContact SD-CE2 3.93Å; M159-F254 HydrophobicContact SD-CG 3.87Å
160L98.3Very high98Very high0 Ų019.7 Ų19.70%010%0.101CC..THydrogen-bonded Turntrans-80.8-13.8171.9-60.8175.2000113.2Y130 M133 L134 A157 A158 M163 W165 Q258 L304Y130-L160 HydrophobicContact CD2-CD2 4.45Å; M133-L160 HydrophobicContact CB-CD1 4.21Å; M133-L160 HydrophobicContact CB-CD2 3.89Å; M133-L160 HydrophobicContact CE-CD2 4.25Å; M133-L160 HydrophobicContact CE-CG 4.37Å; M133-L160 HydrophobicContact SD-CD1 3.98Å; M133-L160 HydrophobicContact SD-CD2 4.48Å; M133-L160 HydrophobicContact SD-CG 4.28Å; L134-L160 HydrophobicContact CD2-CD2 4.24Å; A157-L160 WeakPolarHBondContact O-CB 3.38Å; A157-L160 PolarHBondContact O-N 2.84Å; A158-L160 PolarHBondContact O-N 3.42Å; L160-M163 CarbonylContact C-O 3.51Å; L160-M163 VanDerWaalsContact CB-O 3.32Å; L160-M163 WeakPolarHBondContact CB-O 3.42Å; L160-M163 WeakPolarHBondContact O-CA 3.38Å; L160-M163 WeakPolarHBondContact O-CB 3.38Å; L160-M163 PolarHBondContact O-N 3.41Å; L160-W165 HydrophobicContact CD1-CE3 4.39Å; L160-Q258 PolarHBondContact O-NE2 3.23Å; L160-L304 HydrophobicContact CD1-CD2 4.48Å
161Y97.4Very high98Very high43 Ų4319.7 Ų19.717%0.16910%0.101CC..THydrogen-bonded Turntrans-47.3130.5-177176.2-84.6000112L105 A158 M163 L255 F326L105-Y161 HydrophobicContact CD2-CD1 4.42Å; A158-Y161 WeakPolarHBondContact O-CB 3.33Å; A158-Y161 PolarHBondContact O-N 3.35Å; Y161-M163 VanDerWaalsContact C-N 3.35Å; Y161-M163 PolarHBondContact N-O 2.9Å; Y161-L255 HydrophobicContact CD1-CD1 3.59Å; Y161-L255 HydrophobicContact CE1-CD1 3.78Å; Y161-F326 HydrophobicContact CE1-CB 4.23Å
162P96.9Very high98Very high12 Ų1220.7 Ų20.78%0.07811%0.107CC..THydrogen-bonded Turncis-84.62.415.838.4-42.8000114.9Y164 F308 F326P162-Y164 WeakPolarHBondContact O-CE2 3.5Å; P162-F308 HydrophobicContact CB-CD2 4.13Å; P162-F308 HydrophobicContact CB-CE2 3.89Å; P162-F308 HydrophobicContact CG-CD2 3.79Å; P162-F308 HydrophobicContact CG-CE2 3.41Å; P162-F308 VanDerWaalsContact CG-CE2 3.41Å; P162-F308 HydrophobicContact CG-CZ 4.16Å; P162-F326 HydrophobicContact CB-CB 4.21Å; P162-F326 HydrophobicContact CB-CD1 4.41Å; P162-F326 HydrophobicContact CB-CG 4.28Å; P162-F326 HydrophobicContact CG-CB 4.01Å; P162-F326 HydrophobicContact CG-CD1 3.58Å; P162-F326 HydrophobicContact CG-CD2 3.83Å; P162-F326 HydrophobicContact CG-CE1 3.82Å; P162-F326 HydrophobicContact CG-CE2 4.06Å; P162-F326 HydrophobicContact CG-CG 3.54Å; P162-F326 HydrophobicContact CG-CZ 4.05Å
163M97.9Very high98Very high2 Ų220.7 Ų20.71%0.0111%0.107CC..SBendtrans-89.6156.1178-50.2178.4-169.900109.3L160 Y161 F262 L304 F305 F308L160-M163 CarbonylContact C-O 3.51Å; L160-M163 VanDerWaalsContact CB-O 3.32Å; L160-M163 WeakPolarHBondContact CB-O 3.42Å; L160-M163 WeakPolarHBondContact O-CA 3.38Å; L160-M163 WeakPolarHBondContact O-CB 3.38Å; L160-M163 PolarHBondContact O-N 3.41Å; Y161-M163 VanDerWaalsContact C-N 3.35Å; Y161-M163 PolarHBondContact N-O 2.9Å; M163-F262 HydrophobicContact CE-CB 3.77Å; M163-F262 HydrophobicContact CE-CD1 3.69Å; M163-F262 HydrophobicContact CE-CD2 3.73Å; M163-F262 HydrophobicContact CE-CE1 4.08Å; M163-F262 HydrophobicContact CE-CE2 4.16Å; M163-F262 HydrophobicContact CE-CG 3.47Å; M163-F262 VanDerWaalsContact CE-CG 3.47Å; M163-F262 HydrophobicContact CE-CZ 4.31Å; M163-F262 HydrophobicContact SD-CD1 4.43Å; M163-F262 HydrophobicContact SD-CD2 4.32Å; M163-F262 HydrophobicContact SD-CE1 4.23Å; M163-F262 HydrophobicContact SD-CE2 4.16Å; M163-F262 HydrophobicContact SD-CG 4.45Å; M163-F262 HydrophobicContact SD-CZ 4.09Å; M163-L304 HydrophobicContact CB-CD1 3.97Å; M163-L304 HydrophobicContact CG-CD1 4.36Å; M163-L304 HydrophobicContact SD-CD1 3.59Å; M163-L304 VanDerWaalsContact SD-CD1 3.59Å; M163-F305 HydrophobicContact CE-CD2 3.7Å; M163-F305 HydrophobicContact CE-CE2 4.23Å; M163-F305 HydrophobicContact SD-CB 4.5Å; M163-F305 HydrophobicContact SD-CD2 4.18Å; M163-F308 HydrophobicContact CE-CD1 3.91Å; M163-F308 HydrophobicContact CE-CE1 4.3Å; M163-F308 HydrophobicContact CE-CG 4.15Å; M163-F308 HydrophobicContact CG-CB 3.94Å; M163-F308 HydrophobicContact CG-CD2 4.35Å; M163-F308 HydrophobicContact CG-CG 4.1Å
164Y96.9Very high97.9Very high87 Ų8723.2 Ų23.234%0.34112%0.123SC..  trans-132.7151.7178.9-55.7-85.3000109.6P162 Q166 L304 Y515P162-Y164 WeakPolarHBondContact O-CE2 3.5Å; Y164-Q166 WeakPolarHBondContact O-CG 3.4Å; Y164-Q166 PolarHBondContact O-N 3.04Å; Y164-Q166 PolarHBondContact O-NE2 2.82Å; Y164-L304 WeakPolarHBondContact O-CB 3.19Å; Y164-Y515 WeakPolarHBondContact CB-OH 3.43Å
165W98.2Very high97.8Very high10 Ų1027.9 Ų27.94%0.03815%0.145CC..  trans-63.2128.8175.2-170.4-100.7000111.1M133 E136 R137 L160 H167 V168 P186 L188 L304 Y515M133-W165 HydrophobicContact CB-CE3 4.44Å; M133-W165 HydrophobicContact CB-CZ3 4.12Å; M133-W165 HydrophobicContact CG-CE3 4.37Å; M133-W165 HydrophobicContact CG-CZ3 4.17Å; E136-W165 HydrophobicContact CB-CH2 4.34Å; E136-W165 HydrophobicContact CB-CZ3 4.48Å; E136-W165 HydrophobicContact CG-CH2 4.42Å; E136-W165 HydrophobicContact CG-CZ3 4.13Å; R137-W165 WeakPolarHBondContact O-CH2 3.32Å; L160-W165 HydrophobicContact CD1-CE3 4.39Å; W165-H167 HydrophobicContact CZ2-CB 4.34Å; W165-V168 PolarHBondContact NE1-O 3.07Å; W165-P186 HydrophobicContact CH2-CB 4.06Å; W165-P186 HydrophobicContact CZ2-CB 3.86Å; W165-L188 HydrophobicContact CD2-CB 4.33Å; W165-L188 HydrophobicContact CZ2-CB 4.26Å; W165-L304 HydrophobicContact CE3-CD2 4.4Å; W165-Y515 PolarHBondContact O-OH 3.26Å
166Q96.9Very high97.7Very high39 Ų3935.1 Ų35.118%0.18218%0.178CC..  trans-106.2-14.8-172-60.6-58.2-49.900114.5Y164 Q303 L304 Q307 Y515Y164-Q166 WeakPolarHBondContact O-CG 3.4Å; Y164-Q166 PolarHBondContact O-N 3.04Å; Y164-Q166 PolarHBondContact O-NE2 2.82Å; Q166-Q303 HydrophobicContact CB-CB 4.18Å; Q166-Q303 HydrophobicContact CB-CG 3.63Å; Q166-Q303 HydrophobicContact CG-CG 4.06Å; Q166-L304 HydrophobicContact CG-CB 4.19Å; Q166-Q307 HydrophobicContact CG-CB 4.26Å; Q166-Q307 HydrophobicContact CG-CG 4.07Å; Q166-Y515 VanDerWaalsContact OE1-CE1 3.28Å
167H96.6Very high97.6Very high55 Ų5537.8 Ų37.826%0.25519%0.192SC..SBendtrans-98.4-160.7-175.9-55.6-78.6000111.1E136 W165 Y169 P186 Q303E136-H167 IonicContact OE1-CD2 2.82Å; E136-H167 IonicContact OE1-NE2 3.37Å; E136-H167 IonicContact OE2-CD2 3.84Å; E136-H167 IonicContact OE2-CE1 2.98Å; E136-H167 IonicContact OE2-NE2 2.85Å; E136-H167 PolarHBondContact OE2-NE2 3.43Å; W165-H167 HydrophobicContact CZ2-CB 4.34Å; H167-Y169 PolarHBondContact O-N 3.26Å; H167-P186 HydrophobicContact CB-CB 3.94Å; H167-P186 WeakPolarHBondContact CB-O 3.37Å; H167-Q303 WeakPolarHBondContact NE2-CB 3.47Å
168V98.1Very high97.5Very high42 Ų4237.6 Ų37.626%0.25519%0.189SC..EExtended strand (participates in β ladder)trans-57127.2-178.3175.20000110.3W165 I170 M185 P186 F187 L188 I189W165-V168 PolarHBondContact NE1-O 3.07Å; V168-I170 HydrophobicContact CG1-CD1 3.8Å; V168-I170 HydrophobicContact CG1-CG1 3.93Å; V168-M185 HydrophobicContact CB-CE 4.37Å; V168-M185 HydrophobicContact CG2-CE 3.6Å; V168-M185 HydrophobicContact CG2-SD 4.22Å; V168-P186 PolarHBondContact N-O 2.77Å; V168-F187 HydrophobicContact CB-CB 3.75Å; V168-F187 HydrophobicContact CG1-CB 4.02Å; V168-F187 CarbonylContact O-C 3.57Å; V168-F187 WeakPolarHBondContact O-CA 3.34Å; V168-L188 PolarHBondContact O-N 3.45Å; V168-I189 HydrophobicContact CG1-CD1 4.31Å; V168-I189 HydrophobicContact CG1-CG1 4.45Å
169Y98.6Very high97.4Very high14 Ų1441.2 Ų41.26%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-135109.3-175.7-176.1-105.5000109.6V16 V153 H154 A157 H167 P171 L188V16-Y169 HydrophobicContact CG1-CD1 4.44Å; V16-Y169 HydrophobicContact CG2-CE1 4.25Å; V153-Y169 HydrophobicContact CG1-CD2 4.29Å; V153-Y169 HydrophobicContact CG1-CE2 3.51Å; H154-Y169 WeakPolarHBondContact CA-OH 3.39Å; H154-Y169 AromaticContact ND1-CZ 3.95Å; H154-Y169 PolarHBondContact ND1-OH 3.19Å; A157-Y169 HydrophobicContact CB-CE2 3.95Å; H167-Y169 PolarHBondContact O-N 3.26Å; Y169-P171 HydrophobicContact CD1-CG 4.18Å; Y169-P171 HydrophobicContact CE1-CG 3.58Å; Y169-L188 WeakPolarHBondContact CA-O 3.48Å; Y169-L188 HydrophobicContact CD2-CB 4.32Å; Y169-L188 HydrophobicContact CD2-CD2 4.14Å; Y169-L188 HydrophobicContact CD2-CG 4.39Å; Y169-L188 HydrophobicContact CE2-CD2 3.95Å; Y169-L188 HydrophobicContact CE2-CG 4.46Å
170I98.7Very high97.3Very high31 Ų3147.2 Ų47.216%0.15923%0.226CC..EExtended strand (participates in β ladder)trans-138.291.9-175-50.1177.2000109.1V168 V172 L173 L188 I189 G190V168-I170 HydrophobicContact CG1-CD1 3.8Å; V168-I170 HydrophobicContact CG1-CG1 3.93Å; I170-V172 WeakPolarHBondContact CG2-O 3.32Å; I170-V172 PolarHBondContact O-N 3.24Å; I170-V172 VanDerWaalsContact O-N 3.11Å; I170-L173 HydrophobicContact CD1-CD1 3.75Å; I170-L173 HydrophobicContact CG2-CB 4.17Å; I170-L173 HydrophobicContact CG2-CD1 3.93Å; I170-L188 PolarHBondContact N-O 3Å; I170-I189 HydrophobicContact CB-CG1 4.27Å; I170-I189 HydrophobicContact CD1-CD1 4.43Å; I170-I189 HydrophobicContact CD1-CG1 4.5Å; I170-I189 HydrophobicContact CG1-CG1 4.5Å; I170-I189 CarbonylContact O-C 3.59Å; I170-I189 WeakPolarHBondContact O-CA 3.27Å; I170-G190 PolarHBondContact O-N 2.97Å
171P98.6Very high97.2Very high0 Ų047.2 Ų47.20%023%0.226CC..SBendtrans-59.3-24.1-175.8-27.836.3000115.7V16 T150 V153 Y169V16-P171 HydrophobicContact CB-CG 4.1Å; V16-P171 HydrophobicContact CG2-CG 3.95Å; T150-P171 HydrophobicContact CG2-CB 4.06Å; T150-P171 WeakPolarHBondContact CG2-O 3.41Å; V153-P171 HydrophobicContact CB-CB 4.2Å; V153-P171 HydrophobicContact CG1-CB 4.06Å; V153-P171 HydrophobicContact CG1-CG 4.08Å; Y169-P171 HydrophobicContact CD1-CG 4.18Å; Y169-P171 HydrophobicContact CE1-CG 3.58Å
172V98.4Very high97.1Very high24 Ų2448 Ų4815%0.14524%0.238CC..SBendtrans-151.1121.9166.252.30000109.3F13 F15 L146 L149 T150 I170 G190F13-V172 HydrophobicContact CD2-CG1 4.26Å; F13-V172 HydrophobicContact CE2-CG1 4.34Å; F15-V172 HydrophobicContact CB-CG1 3.65Å; L146-V172 HydrophobicContact CD2-CG2 4.08Å; L149-V172 HydrophobicContact CD2-CB 4.2Å; L149-V172 HydrophobicContact CD2-CG2 4.05Å; T150-V172 HydrophobicContact CG2-CB 3.94Å; T150-V172 HydrophobicContact CG2-CG1 3.76Å; I170-V172 WeakPolarHBondContact CG2-O 3.32Å; I170-V172 PolarHBondContact O-N 3.24Å; I170-V172 VanDerWaalsContact O-N 3.11Å; V172-G190 CarbonylContact C-O 3.59Å; V172-G190 WeakPolarHBondContact CA-O 3.32Å
173L98.2Very high97Very high1 Ų148.5 Ų48.51%0.00524%0.242CC..  trans-92.7121.4179.7-170.868.9000110.1I170 L177 L178 C181 I189 G190 V191I170-L173 HydrophobicContact CD1-CD1 3.75Å; I170-L173 HydrophobicContact CG2-CB 4.17Å; I170-L173 HydrophobicContact CG2-CD1 3.93Å; L173-L177 HydrophobicContact CD1-CB 3.63Å; L173-L177 HydrophobicContact CG-CB 4.24Å; L173-L178 HydrophobicContact CD2-CD2 4.1Å; L173-C181 VanDerWaalsContact CD2-SG 3.52Å; L173-I189 HydrophobicContact CB-CG2 3.9Å; L173-I189 HydrophobicContact CD2-CG2 3.88Å; L173-I189 HydrophobicContact CG-CG2 4.44Å; L173-G190 PolarHBondContact N-O 3.25Å; L173-V191 HydrophobicContact CB-CG2 4.43Å
174P96.8Very high96.8Very high53 Ų5353.7 Ų53.734%0.34428%0.276SS..  trans-74.5156.2176.731.7-35.8000111.7H176 L177P174-H176 PolarHBondContact O-N 3.4Å; P174-L177 HydrophobicContact CG-CB 4.32Å; P174-L177 HydrophobicContact CG-CD1 3.81Å; P174-L177 HydrophobicContact CG-CG 4.02Å; P174-L177 PolarHBondContact O-N 3.43Å
175Q96.1Very high96.7Very high112 Ų11253.1 Ų53.152%0.52328%0.277SS..G310 helixtrans-53.1-34.7-174.5-176.4177.2-77.100114.4L177 L178 L195 K198Q175-L177 PolarHBondContact O-N 2.99Å; Q175-L178 HydrophobicContact CG-CD1 4.16Å; Q175-L178 WeakPolarHBondContact O-CG 3.43Å; Q175-L178 PolarHBondContact O-N 3.07Å; Q175-L195 HydrophobicContact CB-CD1 4.19Å; Q175-L195 HydrophobicContact CB-CD2 3.98Å; Q175-L195 HydrophobicContact CG-CD2 3.96Å; Q175-K198 VanDerWaalsContact CD-NZ 3.33Å
176H96.6Very high96.7Very high153 Ų15353.9 Ų53.971%0.70828%0.284SS*.G310 helixtrans-77.6-0.2-177.968.4-96.5000114.1P174P174-H176 PolarHBondContact O-N 3.4Å
177L97.2Very high96.7Very high57 Ų5752 Ų5230%0.29828%0.275SS..G310 helixtrans-120.512.8176.4-59.2179.9000112.7L173 P174 Q175 D179 Y180L173-L177 HydrophobicContact CD1-CB 3.63Å; L173-L177 HydrophobicContact CG-CB 4.24Å; P174-L177 HydrophobicContact CG-CB 4.32Å; P174-L177 HydrophobicContact CG-CD1 3.81Å; P174-L177 HydrophobicContact CG-CG 4.02Å; P174-L177 PolarHBondContact O-N 3.43Å; Q175-L177 PolarHBondContact O-N 2.99Å; L177-D179 PolarHBondContact O-N 2.84Å; L177-D179 VanDerWaalsContact O-N 3.08Å; L177-Y180 HydrophobicContact CB-CD2 4.04Å; L177-Y180 HydrophobicContact CB-CE2 4.49Å; L177-Y180 HydrophobicContact CD2-CD2 4.34Å; L177-Y180 HydrophobicContact CD2-CE2 3.94Å; L177-Y180 WeakPolarHBondContact O-CB 3.21Å; L177-Y180 WeakPolarHBondContact O-CD2 3.38Å; L177-Y180 PolarHBondContact O-N 3.02Å
178L96.1Very high96.8Very high7 Ų749.4 Ų49.44%0.03726%0.263CS..G310 helixtrans-57.9-26.8-176.1-71.5176.7000113.8L173 Q175 Y180 C181 V191 L195 K198 V199 M202L173-L178 HydrophobicContact CD2-CD2 4.1Å; Q175-L178 HydrophobicContact CG-CD1 4.16Å; Q175-L178 WeakPolarHBondContact O-CG 3.43Å; Q175-L178 PolarHBondContact O-N 3.07Å; L178-Y180 PolarHBondContact O-N 2.88Å; L178-Y180 VanDerWaalsContact O-N 3.09Å; L178-C181 VanDerWaalsContact O-CB 3.24Å; L178-C181 WeakPolarHBondContact O-CB 3.28Å; L178-C181 PolarHBondContact O-N 3.26Å; L178-C181 PolarHBondContact O-SG 3.14Å; L178-V191 HydrophobicContact CD2-CG1 4.21Å; L178-L195 HydrophobicContact CD1-CB 4.18Å; L178-L195 HydrophobicContact CD1-CD1 4.44Å; L178-L195 HydrophobicContact CD1-CD2 4.43Å; L178-L195 HydrophobicContact CD2-CB 4.29Å; L178-L195 HydrophobicContact CD2-CD1 4.12Å; L178-K198 HydrophobicContact CD1-CB 4.14Å; L178-K198 HydrophobicContact CD1-CD 4.32Å; L178-V199 HydrophobicContact CD1-CG2 4.41Å; L178-V199 HydrophobicContact CD2-CG2 3.76Å; L178-M202 HydrophobicContact CB-CE 3.78Å
179D95.3Very high96.9Very high118 Ų11847.4 Ų47.463%0.63125%0.251SS*.G310 helixtrans-60.5-19.6176.5-55.3-29.7000113.1L177 C181 C182 M202L177-D179 PolarHBondContact O-N 2.84Å; L177-D179 VanDerWaalsContact O-N 3.08Å; D179-C181 PolarHBondContact O-N 3.31Å; D179-C182 WeakPolarHBondContact O-CB 3.49Å; D179-C182 PolarHBondContact O-N 2.78Å; D179-M202 WeakPolarHBondContact OD1-CE 3.45Å
180Y96.2Very high96.9Very high132 Ų13246.8 Ų46.852%0.51825%0.248SC..G310 helixtrans-66.7-16.7172.1-77.4-104.1000113.2L177 L178 C182 A183L177-Y180 HydrophobicContact CB-CD2 4.04Å; L177-Y180 HydrophobicContact CB-CE2 4.49Å; L177-Y180 HydrophobicContact CD2-CD2 4.34Å; L177-Y180 HydrophobicContact CD2-CE2 3.94Å; L177-Y180 WeakPolarHBondContact O-CB 3.21Å; L177-Y180 WeakPolarHBondContact O-CD2 3.38Å; L177-Y180 PolarHBondContact O-N 3.02Å; L178-Y180 PolarHBondContact O-N 2.88Å; L178-Y180 VanDerWaalsContact O-N 3.09Å; Y180-C182 PolarHBondContact O-N 2.82Å; Y180-A183 VanDerWaalsContact O-CB 3.26Å; Y180-A183 WeakPolarHBondContact O-CB 3.47Å; Y180-A183 PolarHBondContact O-N 3.46Å
181C96.3Very high96.8Very high0 Ų045.3 Ų45.30%024%0.241CC..G310 helixtrans-65.2-26.5169-66.40000112.4L140 L173 L178 D179 A183 F187 L204L140-C181 HydrophobicContact CD1-CB 4.32Å; L173-C181 VanDerWaalsContact CD2-SG 3.52Å; L178-C181 VanDerWaalsContact O-CB 3.24Å; L178-C181 WeakPolarHBondContact O-CB 3.28Å; L178-C181 PolarHBondContact O-N 3.26Å; L178-C181 PolarHBondContact O-SG 3.14Å; D179-C181 PolarHBondContact O-N 3.31Å; C181-A183 PolarHBondContact O-N 3.21Å; C181-F187 WeakPolarHBondContact O-CE1 3.12Å; C181-F187 WeakPolarHBondContact O-CZ 3.46Å; C181-L204 HydrophobicContact CB-CD1 4.48Å; C181-L204 HydrophobicContact CB-CD2 3.99Å; C181-L204 VanDerWaalsContact O-CD2 3.3Å; C181-L204 WeakPolarHBondContact O-CD2 3.5Å
182C94.3Very high96.8Very high60 Ų6047.7 Ų47.741%0.40525%0.252SS..G310 helixtrans-79.4-2.7177.6-57.70000113.2D179 Y180D179-C182 WeakPolarHBondContact O-CB 3.49Å; D179-C182 PolarHBondContact O-N 2.78Å; Y180-C182 PolarHBondContact O-N 2.82Å
183A94.1Very high96.7Very high21 Ų2148.3 Ų48.317%0.17426%0.257CS..  trans-71.8138.7-172.100000111.9R138 Y180 C181 M185R138-A183 WeakPolarHBondContact CD-O 3.27Å; Y180-A183 VanDerWaalsContact O-CB 3.26Å; Y180-A183 WeakPolarHBondContact O-CB 3.47Å; Y180-A183 PolarHBondContact O-N 3.46Å; C181-A183 PolarHBondContact O-N 3.21Å; A183-M185 HydrophobicContact CB-CE 3.33Å; A183-M185 HydrophobicContact CB-SD 4.26Å
184P94.2Very high96.6Very high112 Ų11252.1 Ų52.173%0.72728%0.284SS*.SBendtrans-86.6-23.8-16332.1-37.1000115.3
185M95.2Very high96.6Very high74 Ų7450.3 Ų50.337%0.36527%0.271SS..SBendtrans-76.9166.6175.179.6-69.4100.100111.1R138 V168 A183R138-M185 WeakPolarHBondContact CD-O 3.37Å; R138-M185 VanDerWaalsContact CG-O 3.28Å; R138-M185 WeakPolarHBondContact CG-O 3.38Å; V168-M185 HydrophobicContact CB-CE 4.37Å; V168-M185 HydrophobicContact CG2-CE 3.6Å; V168-M185 HydrophobicContact CG2-SD 4.22Å; A183-M185 HydrophobicContact CB-CE 3.33Å; A183-M185 HydrophobicContact CB-SD 4.26Å
186P97.8Very high96.5Very high26 Ų2646 Ų4617%0.16925%0.251CS..  trans-56.8145.6-177.8-25.736000112.7E136 W165 H167 V168E136-P186 HydrophobicContact CB-CB 4.17Å; E136-P186 HydrophobicContact CB-CG 4.01Å; E136-P186 VanDerWaalsContact O-CB 3.23Å; E136-P186 WeakPolarHBondContact O-CB 3.34Å; E136-P186 WeakPolarHBondContact O-CG 3.26Å; W165-P186 HydrophobicContact CH2-CB 4.06Å; W165-P186 HydrophobicContact CZ2-CB 3.86Å; H167-P186 HydrophobicContact CB-CB 3.94Å; H167-P186 WeakPolarHBondContact CB-O 3.37Å; V168-P186 PolarHBondContact N-O 2.77Å
187F98.3Very high96.3Very high0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-147.1153.4175.165.8-118.6000112R138 I139 L140 V168 C181 I189 V207R138-F187 HydrophobicContact CB-CD1 3.86Å; R138-F187 HydrophobicContact CB-CD2 4.29Å; R138-F187 HydrophobicContact CB-CE1 3.64Å; R138-F187 HydrophobicContact CB-CE2 4.08Å; R138-F187 HydrophobicContact CB-CG 4.19Å; R138-F187 HydrophobicContact CB-CZ 3.76Å; R138-F187 HydrophobicContact CG-CD1 3.55Å; R138-F187 HydrophobicContact CG-CE1 3.66Å; R138-F187 HydrophobicContact CG-CG 4.13Å; R138-F187 HydrophobicContact CG-CZ 4.31Å; I139-F187 PolarHBondContact N-O 3.09Å; I139-F187 WeakPolarHBondContact O-CD2 3.36Å; I139-F187 WeakPolarHBondContact O-CE2 3.36Å; L140-F187 HydrophobicContact CB-CE2 4.33Å; V168-F187 HydrophobicContact CB-CB 3.75Å; V168-F187 HydrophobicContact CG1-CB 4.02Å; V168-F187 CarbonylContact O-C 3.57Å; V168-F187 WeakPolarHBondContact O-CA 3.34Å; C181-F187 WeakPolarHBondContact O-CE1 3.12Å; C181-F187 WeakPolarHBondContact O-CZ 3.46Å; F187-I189 HydrophobicContact CB-CD1 3.92Å; F187-I189 HydrophobicContact CB-CG1 3.98Å; F187-I189 HydrophobicContact CD1-CD1 4.16Å; F187-I189 HydrophobicContact CD2-CB 3.93Å; F187-I189 HydrophobicContact CD2-CD1 3.55Å; F187-I189 HydrophobicContact CD2-CG1 3.55Å; F187-I189 HydrophobicContact CE2-CB 4.25Å; F187-I189 HydrophobicContact CE2-CD1 4Å; F187-I189 HydrophobicContact CE2-CG1 4.23Å; F187-I189 HydrophobicContact CG-CD1 3.65Å; F187-I189 HydrophobicContact CG-CG1 3.95Å; F187-I189 HydrophobicContact CZ-CD1 4.47Å; F187-V207 HydrophobicContact CE2-CG1 4.45Å; F187-V207 HydrophobicContact CZ-CG1 4.24Å; F187-V207 HydrophobicContact CZ-CG2 4.19Å
188L98.8Very high96.1Very high1 Ų148.9 Ų48.91%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-126104.2166.5177.557.9000107.8M133 I139 I141 V153 A157 W165 V168 Y169 I170M133-L188 HydrophobicContact SD-CD2 4.11Å; I139-L188 HydrophobicContact CB-CD1 3.92Å; I139-L188 HydrophobicContact CG2-CD1 3.73Å; I139-L188 WeakPolarHBondContact O-CA 3.45Å; I141-L188 HydrophobicContact CD1-CD1 4.17Å; I141-L188 HydrophobicContact CG1-CD1 4.47Å; V153-L188 HydrophobicContact CG1-CD2 4.17Å; V153-L188 HydrophobicContact CG1-CG 3.99Å; A157-L188 HydrophobicContact CB-CD2 4.05Å; W165-L188 HydrophobicContact CD2-CB 4.33Å; W165-L188 HydrophobicContact CZ2-CB 4.26Å; V168-L188 PolarHBondContact O-N 3.45Å; Y169-L188 WeakPolarHBondContact CA-O 3.48Å; Y169-L188 HydrophobicContact CD2-CB 4.32Å; Y169-L188 HydrophobicContact CD2-CD2 4.14Å; Y169-L188 HydrophobicContact CD2-CG 4.39Å; Y169-L188 HydrophobicContact CE2-CD2 3.95Å; Y169-L188 HydrophobicContact CE2-CG 4.46Å; I170-L188 PolarHBondContact N-O 3Å
189I98.7Very high95.9Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-124.9131.4-169.2-65.7-180000109.9I139 L140 I141 V168 I170 L173 F187 V191I139-I189 PolarHBondContact O-N 3.08Å; L140-I189 CarbonylContact C-O 3.58Å; L140-I189 WeakPolarHBondContact CA-O 3.31Å; I141-I189 PolarHBondContact N-O 3.5Å; V168-I189 HydrophobicContact CG1-CD1 4.31Å; V168-I189 HydrophobicContact CG1-CG1 4.45Å; I170-I189 HydrophobicContact CB-CG1 4.27Å; I170-I189 HydrophobicContact CD1-CD1 4.43Å; I170-I189 HydrophobicContact CD1-CG1 4.5Å; I170-I189 HydrophobicContact CG1-CG1 4.5Å; I170-I189 CarbonylContact O-C 3.59Å; I170-I189 WeakPolarHBondContact O-CA 3.27Å; L173-I189 HydrophobicContact CB-CG2 3.9Å; L173-I189 HydrophobicContact CD2-CG2 3.88Å; L173-I189 HydrophobicContact CG-CG2 4.44Å; F187-I189 HydrophobicContact CB-CD1 3.92Å; F187-I189 HydrophobicContact CB-CG1 3.98Å; F187-I189 HydrophobicContact CD1-CD1 4.16Å; F187-I189 HydrophobicContact CD2-CB 3.93Å; F187-I189 HydrophobicContact CD2-CD1 3.55Å; F187-I189 HydrophobicContact CD2-CG1 3.55Å; F187-I189 HydrophobicContact CE2-CB 4.25Å; F187-I189 HydrophobicContact CE2-CD1 4Å; F187-I189 HydrophobicContact CE2-CG1 4.23Å; F187-I189 HydrophobicContact CG-CD1 3.65Å; F187-I189 HydrophobicContact CG-CG1 3.95Å; F187-I189 HydrophobicContact CZ-CD1 4.47Å; I189-V191 HydrophobicContact CG2-CG2 3.93Å
190G98.6Very high95.6Very high0 Ų049.2 Ų49.20%026%0.26CS..EExtended strand (participates in β ladder)trans-95134.3166.200000111.3I141 I170 V172 L173I141-G190 CarbonylContact O-C 3.59Å; I141-G190 WeakPolarHBondContact O-CA 3.49Å; I170-G190 PolarHBondContact O-N 2.97Å; V172-G190 CarbonylContact C-O 3.59Å; V172-G190 WeakPolarHBondContact CA-O 3.32Å; L173-G190 PolarHBondContact N-O 3.25Å
191V98.2Very high95.2Very high0 Ų046.3 Ų46.30%027%0.27CS..EExtended strand (participates in β ladder)trans-126138.6174.1-176.50000109.7L140 I141 C142 C143 L149 L173 L178 I189 L195 M196 V199L140-V191 HydrophobicContact CD1-CG2 4.07Å; L140-V191 HydrophobicContact CD2-CB 3.96Å; L140-V191 HydrophobicContact CD2-CG2 3.73Å; L140-V191 HydrophobicContact CG-CG2 3.94Å; I141-V191 PolarHBondContact O-N 2.86Å; C142-V191 WeakPolarHBondContact CA-O 3.17Å; C143-V191 PolarHBondContact N-O 2.95Å; L149-V191 WeakPolarHBondContact CD2-O 3.45Å; L173-V191 HydrophobicContact CB-CG2 4.43Å; L178-V191 HydrophobicContact CD2-CG1 4.21Å; I189-V191 HydrophobicContact CG2-CG2 3.93Å; V191-L195 HydrophobicContact CG1-CB 3.75Å; V191-L195 HydrophobicContact CG1-CD1 4.44Å; V191-M196 HydrophobicContact CB-SD 4.16Å; V191-M196 HydrophobicContact CG1-SD 4.09Å; V191-V199 HydrophobicContact CG1-CG2 4.2Å
192H97.6Very high94.9Very high51 Ų5148.4 Ų48.424%0.23628%0.28CS..EExtended strand (participates in β ladder)trans-72138.7173.6-175.1-107.3000110.7C143 S144 L146 S194 L195C143-H192 WeakPolarHBondContact O-CA 3.26Å; C143-H192 PolarHBondContact O-CD2 3.31Å; C143-H192 VanDerWaalsContact O-CD2 3.28Å; S144-H192 PolarHBondContact O-NE2 3.11Å; L146-H192 HydrophobicContact CD2-CB 4.17Å; H192-S194 PolarHBondContact ND1-OG 2.85Å; H192-S194 PolarHBondContact O-N 2.98Å; H192-L195 WeakPolarHBondContact O-CB 3.4Å; H192-L195 PolarHBondContact O-N 2.84Å
193S96.3Very high94.4Very high37 Ų3749.7 Ų49.726%0.25930%0.295SS..G310 helixtrans-58-30.1-170.762.20000114.3C143 S144 L195 M196C143-S193 PolarHBondContact O-N 3.47Å; S144-S193 VanDerWaalsContact CA-OG 3.28Å; S144-S193 WeakPolarHBondContact CA-OG 3.38Å; S144-S193 PolarHBondContact N-OG 2.81Å; S193-L195 PolarHBondContact O-N 2.9Å; S193-M196 WeakPolarHBondContact O-CB 3.39Å; S193-M196 PolarHBondContact O-N 2.87Å
194S95.8Very high94Very high80 Ų8050.8 Ų50.856%0.55930%0.298SS*.G310 helixtrans-65.2-5.1174.175.70000115.4H192H192-S194 PolarHBondContact ND1-OG 2.85Å; H192-S194 PolarHBondContact O-N 2.98Å
195L96.3Very high93.4Very high16 Ų1651.5 Ų51.58%0.08430%0.295CS..G310 helixtrans-107.1-7.7175-57.8179.3000112.2Q175 L178 V191 H192 S193 E197 K198 V199Q175-L195 HydrophobicContact CB-CD1 4.19Å; Q175-L195 HydrophobicContact CB-CD2 3.98Å; Q175-L195 HydrophobicContact CG-CD2 3.96Å; L178-L195 HydrophobicContact CD1-CB 4.18Å; L178-L195 HydrophobicContact CD1-CD1 4.44Å; L178-L195 HydrophobicContact CD1-CD2 4.43Å; L178-L195 HydrophobicContact CD2-CB 4.29Å; L178-L195 HydrophobicContact CD2-CD1 4.12Å; V191-L195 HydrophobicContact CG1-CB 3.75Å; V191-L195 HydrophobicContact CG1-CD1 4.44Å; H192-L195 WeakPolarHBondContact O-CB 3.4Å; H192-L195 PolarHBondContact O-N 2.84Å; S193-L195 PolarHBondContact O-N 2.9Å; L195-E197 VanDerWaalsContact C-N 3.33Å; L195-E197 PolarHBondContact O-N 3.37Å; L195-K198 WeakPolarHBondContact O-CB 3.33Å; L195-K198 PolarHBondContact O-N 2.81Å; L195-K198 VanDerWaalsContact O-N 3.11Å; L195-V199 WeakPolarHBondContact O-CG2 3.28Å; L195-V199 PolarHBondContact O-N 3.36Å; L195-V199 VanDerWaalsContact O-N 3.16Å
196M94.4Very high93.2Very high20 Ų2051.9 Ų51.910%0.09930%0.299CS..Hα-helixtrans-65.3-31.5-173.5-76.1-55.3-54.900113.9L140 C142 V191 S193 K198 V199 Q200 L209L140-M196 HydrophobicContact CD2-CE 4.12Å; L140-M196 HydrophobicContact CD2-SD 3.72Å; C142-M196 HydrophobicContact CB-CG 3.95Å; C142-M196 HydrophobicContact CB-SD 3.9Å; C142-M196 WeakPolarHBondContact SG-CG 3.4Å; V191-M196 HydrophobicContact CB-SD 4.16Å; V191-M196 HydrophobicContact CG1-SD 4.09Å; S193-M196 WeakPolarHBondContact O-CB 3.39Å; S193-M196 PolarHBondContact O-N 2.87Å; M196-K198 VanDerWaalsContact C-N 3.26Å; M196-K198 PolarHBondContact O-N 2.99Å; M196-V199 HydrophobicContact CE-CB 4.32Å; M196-V199 HydrophobicContact CE-CG1 3.92Å; M196-V199 CarbonylContact O-C 3.56Å; M196-V199 PolarHBondContact O-N 3.34Å; M196-V199 HydrophobicContact SD-CB 4.32Å; M196-V199 HydrophobicContact SD-CG1 4.18Å; M196-Q200 HydrophobicContact CE-CG 4.38Å; M196-Q200 WeakPolarHBondContact O-CB 3.24Å; M196-Q200 WeakPolarHBondContact O-CG 3.27Å; M196-Q200 PolarHBondContact O-N 3.42Å; M196-L209 HydrophobicContact CE-CD1 3.73Å; M196-L209 HydrophobicContact CE-CD2 4.09Å
197E92.3Very high93.1Very high167 Ų16751.6 Ų51.678%0.7830%0.296SS*.Hα-helixtrans-60.6-37.8174.8-61.8179.3165.700111.7L195 G201L195-E197 VanDerWaalsContact C-N 3.33Å; L195-E197 PolarHBondContact O-N 3.37Å; E197-G201 PolarHBondContact O-N 3.05Å; E197-G201 VanDerWaalsContact O-N 3.16Å
198K93.8Very high93.1Very high104 Ų10451.6 Ų51.645%0.45230%0.296SS..Hα-helixtrans-71.1-39.9176.5-59.7177.9-175.4178.20111.1Q175 L178 L195 M196 G201 M202Q175-K198 VanDerWaalsContact CD-NZ 3.33Å; L178-K198 HydrophobicContact CD1-CB 4.14Å; L178-K198 HydrophobicContact CD1-CD 4.32Å; L195-K198 WeakPolarHBondContact O-CB 3.33Å; L195-K198 PolarHBondContact O-N 2.81Å; L195-K198 VanDerWaalsContact O-N 3.11Å; M196-K198 VanDerWaalsContact C-N 3.26Å; M196-K198 PolarHBondContact O-N 2.99Å; K198-G201 PolarHBondContact O-N 2.95Å; K198-M202 PolarHBondContact O-N 2.93Å
199V92.6Very high93.1Very high1 Ų152.8 Ų52.81%0.00630%0.303CS..Hα-helixtrans-68.9-36.8178.2170.50000111.9L140 L178 V191 L195 M196 G201 M202 L204L140-V199 HydrophobicContact CD1-CG1 3.65Å; L178-V199 HydrophobicContact CD1-CG2 4.41Å; L178-V199 HydrophobicContact CD2-CG2 3.76Å; V191-V199 HydrophobicContact CG1-CG2 4.2Å; L195-V199 WeakPolarHBondContact O-CG2 3.28Å; L195-V199 PolarHBondContact O-N 3.36Å; L195-V199 VanDerWaalsContact O-N 3.16Å; M196-V199 HydrophobicContact CE-CB 4.32Å; M196-V199 HydrophobicContact CE-CG1 3.92Å; M196-V199 CarbonylContact O-C 3.56Å; M196-V199 PolarHBondContact O-N 3.34Å; M196-V199 HydrophobicContact SD-CB 4.32Å; M196-V199 HydrophobicContact SD-CG1 4.18Å; V199-G201 VanDerWaalsContact C-N 3.29Å; V199-M202 WeakPolarHBondContact O-CB 3.48Å; V199-M202 PolarHBondContact O-N 3.29Å; V199-L204 HydrophobicContact CG1-CD1 3.45Å; V199-L204 VanDerWaalsContact CG1-CD1 3.45Å; V199-L204 VanDerWaalsContact O-CD1 3.28Å; V199-L204 WeakPolarHBondContact O-CD1 3.19Å
200Q88.3Confident93.1Very high131 Ų13152.8 Ų52.861%0.61230%0.303SS*.Hα-helixtrans-72.7-21.4172.7-73.6177.2-25.100112.9M196M196-Q200 HydrophobicContact CE-CG 4.38Å; M196-Q200 WeakPolarHBondContact O-CB 3.24Å; M196-Q200 WeakPolarHBondContact O-CG 3.27Å; M196-Q200 PolarHBondContact O-N 3.42Å
201G87.1Confident93Very high71 Ų7154.7 Ų54.773%0.73231%0.313SS*.THydrogen-bonded Turntrans-76-7.3168.700000114.5E197 K198 V199E197-G201 PolarHBondContact O-N 3.05Å; E197-G201 VanDerWaalsContact O-N 3.16Å; K198-G201 PolarHBondContact O-N 2.95Å; V199-G201 VanDerWaalsContact C-N 3.29Å
202M91.2Very high93Very high45 Ų4555 Ų5522%0.22232%0.315CS..SBendtrans-91.4154.6175.8-65.2171167.900111.2L178 D179 K198 V199 L204L178-M202 HydrophobicContact CB-CE 3.78Å; D179-M202 WeakPolarHBondContact OD1-CE 3.45Å; K198-M202 PolarHBondContact O-N 2.93Å; V199-M202 WeakPolarHBondContact O-CB 3.48Å; V199-M202 PolarHBondContact O-N 3.29Å; M202-L204 HydrophobicContact CB-CD2 4.14Å; M202-L204 HydrophobicContact CB-CG 4.09Å; M202-L204 PolarHBondContact O-N 3.49Å
203A82.6Confident93Very high86 Ų8655.9 Ų55.971%0.71132%0.322SS*.  trans-76.170.6177.700000111.7D205A203-D205 VanDerWaalsContact C-N 3.28Å; A203-D205 PolarHBondContact O-N 2.87Å; A203-D205 VanDerWaalsContact O-N 3.11Å
204L85.6Confident93.1Very high45 Ų4558.1 Ų58.124%0.23633%0.333CS..  trans-86.663.1-179-58.9-172.5000112.2L140 C181 V199 M202 V207L140-L204 HydrophobicContact CD1-CD1 4.45Å; C181-L204 HydrophobicContact CB-CD1 4.48Å; C181-L204 HydrophobicContact CB-CD2 3.99Å; C181-L204 VanDerWaalsContact O-CD2 3.3Å; C181-L204 WeakPolarHBondContact O-CD2 3.5Å; V199-L204 HydrophobicContact CG1-CD1 3.45Å; V199-L204 VanDerWaalsContact CG1-CD1 3.45Å; V199-L204 VanDerWaalsContact O-CD1 3.28Å; V199-L204 WeakPolarHBondContact O-CD1 3.19Å; M202-L204 HydrophobicContact CB-CD2 4.14Å; M202-L204 HydrophobicContact CB-CG 4.09Å; M202-L204 PolarHBondContact O-N 3.49Å; L204-V207 HydrophobicContact CB-CG2 4.1Å
205D82.9Confident93.2Very high126 Ų12656.6 Ų56.667%0.67432%0.319SS*.THydrogen-bonded Turntrans-58139167.8-67.1-38.2000110.1R138 A203 V207R138-D205 PolarHBondContact NH1-O 2.8Å; R138-D205 PolarHBondContact NH2-O 3.41Å; A203-D205 VanDerWaalsContact C-N 3.28Å; A203-D205 PolarHBondContact O-N 2.87Å; A203-D205 VanDerWaalsContact O-N 3.11Å; D205-V207 PolarHBondContact O-N 3.35Å
206D90.1Very high93.3Very high83 Ų8359.1 Ų59.144%0.44434%0.335SS..THydrogen-bonded Turntrans58.841.1165.4-105.436000115.9R138 Y221R138-D206 PolarHBondContact NH2-O 3.07Å; D206-Y221 WeakPolarHBondContact CB-OH 3.41Å; D206-Y221 PolarHBondContact O-OH 3.38Å; D206-Y221 WeakPolarHBondContact OD2-CE1 3.42Å; D206-Y221 PolarHBondContact OD2-OH 3.46Å
207V96.3Very high93.4Very high19 Ų1959.9 Ų59.912%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-107.8145.8175.21790000111.5R138 L140 F187 L204 D205 P220R138-V207 HydrophobicContact CB-CG2 4.19Å; L140-V207 HydrophobicContact CB-CG1 4.07Å; F187-V207 HydrophobicContact CE2-CG1 4.45Å; F187-V207 HydrophobicContact CZ-CG1 4.24Å; F187-V207 HydrophobicContact CZ-CG2 4.19Å; L204-V207 HydrophobicContact CB-CG2 4.1Å; D205-V207 PolarHBondContact O-N 3.35Å; V207-P220 WeakPolarHBondContact O-CD 3.37Å
208V98.1Very high93.6Very high0 Ų057.4 Ų57.40%033%0.328CS..EExtended strand (participates in β ladder)trans-94.1120.3168179.50000109.1R137 R138 I139 L140 Y221R137-V208 HydrophobicContact CB-CG2 3.99Å; R137-V208 HydrophobicContact CG-CG2 4.17Å; R138-V208 PolarHBondContact O-N 3.41Å; I139-V208 WeakPolarHBondContact CA-O 3.27Å; I139-V208 HydrophobicContact CG1-CB 4.38Å; L140-V208 PolarHBondContact N-O 3.28Å; V208-Y221 HydrophobicContact CG2-CD2 3.75Å; V208-Y221 HydrophobicContact CG2-CE2 4.09Å
209L97.8Very high93.7Very high26 Ų2654.6 Ų54.614%0.13632%0.32CS..EExtended strand (participates in β ladder)trans-111.8124.9-179.2173.662.6000110.5L140 C142 M196 L217 E218L140-L209 HydrophobicContact CB-CD1 4.33Å; L140-L209 HydrophobicContact CD2-CD1 3.75Å; L140-L209 WeakPolarHBondContact O-CA 3.43Å; C142-L209 HydrophobicContact CB-CD1 4.39Å; M196-L209 HydrophobicContact CE-CD1 3.73Å; M196-L209 HydrophobicContact CE-CD2 4.09Å; L209-L217 CarbonylContact O-C 3.57Å; L209-L217 WeakPolarHBondContact O-CA 3.12Å; L209-E218 HydrophobicContact CB-CB 4.34Å; L209-E218 PolarHBondContact N-O 3.22Å; L209-E218 PolarHBondContact O-N 3.16Å
210L98.5Very high93.8Very high0 Ų057.9 Ų57.90%034%0.341CS..EExtended strand (participates in β ladder)trans-112.7116.1165.9173.863.9000109.8V121 N125 L129 L140 I141 C142 V212 L217V121-L210 HydrophobicContact CG1-CD2 4.01Å; V121-L210 HydrophobicContact CG2-CD2 4.25Å; N125-L210 HydrophobicContact CB-CD1 4.04Å; L129-L210 HydrophobicContact CD1-CD2 3.66Å; L129-L210 HydrophobicContact CD2-CB 4.32Å; L129-L210 HydrophobicContact CD2-CD2 4.15Å; L129-L210 HydrophobicContact CG-CD2 4Å; L140-L210 PolarHBondContact O-N 3.13Å; I141-L210 CarbonylContact C-O 3.07Å; I141-L210 WeakPolarHBondContact CA-O 3.32Å; C142-L210 PolarHBondContact N-O 3.05Å; L210-V212 HydrophobicContact CD2-CG2 4.04Å; L210-V212 HydrophobicContact CG-CG2 4.09Å; L210-L217 HydrophobicContact CB-CD1 4.31Å; L210-L217 HydrophobicContact CD1-CB 4.06Å; L210-L217 HydrophobicContact CD1-CD1 4.25Å
211N98.1Very high94.2Very high40 Ų4053.4 Ų53.421%0.21432%0.319CS..EExtended strand (participates in β ladder)trans-89.5111.6162.9-174-8.4000109.3C142 D213 T214 N215 T216C142-N211 HydrophobicContact CB-CB 4.46Å; N211-D213 WeakPolarHBondContact OD1-CB 3.33Å; N211-D213 PolarHBondContact OD1-N 2.93Å; N211-D213 VanDerWaalsContact OD1-N 3.07Å; N211-T214 WeakPolarHBondContact CB-OG1 3.32Å; N211-T214 PolarHBondContact ND2-OG1 3.28Å; N211-N215 CarbonylContact O-C 3.51Å; N211-N215 WeakPolarHBondContact O-CA 3.26Å; N211-N215 PolarHBondContact O-N 3.25Å; N211-T216 PolarHBondContact N-O 2.91Å; N211-T216 PolarHBondContact O-N 3.05Å; N211-T216 VanDerWaalsContact O-N 3.16Å
212V98.4Very high94.5Very high8 Ų856.3 Ų56.35%0.04831%0.313CS..THydrogen-bonded Turntrans-74.3-31.5-178.3-177.50000111.4A120 V121 I141 C142 C143 T148 L210 T214 N215A120-V212 HydrophobicContact CB-CG1 3.85Å; V121-V212 HydrophobicContact CG2-CG1 4.03Å; V121-V212 HydrophobicContact CG2-CG2 4.19Å; I141-V212 HydrophobicContact CG2-CG2 3.61Å; C142-V212 WeakPolarHBondContact O-CB 3.48Å; C142-V212 PolarHBondContact O-N 3.09Å; C143-V212 HydrophobicContact CB-CB 4.09Å; T148-V212 HydrophobicContact CG2-CG1 4.09Å; L210-V212 HydrophobicContact CD2-CG2 4.04Å; L210-V212 HydrophobicContact CG-CG2 4.09Å; V212-T214 PolarHBondContact O-N 3.22Å; V212-N215 PolarHBondContact O-N 2.87Å; V212-N215 PolarHBondContact O-ND2 3.14Å; V212-N215 VanDerWaalsContact O-ND2 3.16Å
213D97.1Very high94.8Very high69 Ų6954.5 Ų54.537%0.36930%0.304SS..THydrogen-bonded Turntrans-63.2-31.6-179-59.8-44.1000112C143 S144 N211C143-D213 WeakPolarHBondContact CA-OD2 3.48Å; C143-D213 PolarHBondContact SG-OD1 3.43Å; S144-D213 WeakPolarHBondContact CB-OD1 3.17Å; S144-D213 WeakPolarHBondContact CB-OD2 3.43Å; S144-D213 VanDerWaalsContact N-CG 3.31Å; S144-D213 PolarHBondContact N-OD1 3.28Å; S144-D213 PolarHBondContact N-OD2 3.47Å; S144-D213 PolarHBondContact OG-OD1 3.16Å; N211-D213 WeakPolarHBondContact OD1-CB 3.33Å; N211-D213 PolarHBondContact OD1-N 2.93Å; N211-D213 VanDerWaalsContact OD1-N 3.07Å
214T97.6Very high95.4Very high83 Ų8351.3 Ų51.351%0.50928%0.275SS..THydrogen-bonded Turntrans-109.7-7.9179.451.30000113.7N211 V212 T216N211-T214 WeakPolarHBondContact CB-OG1 3.32Å; N211-T214 PolarHBondContact ND2-OG1 3.28Å; V212-T214 PolarHBondContact O-N 3.22Å; T214-T216 PolarHBondContact O-N 2.83Å; T214-T216 PolarHBondContact OG1-OG1 3.07Å
215N98.3Very high95.8Very high49 Ų4954.6 Ų54.626%0.26229%0.289SS..THydrogen-bonded Turntrans49.832.2-166.7-94.7-86.3000114.5A120 D122 N125 N211 V212A120-N215 PolarHBondContact O-ND2 3.46Å; D122-N215 HydrophobicContact CB-CB 4.41Å; D122-N215 WeakPolarHBondContact CB-OD1 3.28Å; D122-N215 PolarHBondContact N-OD1 3Å; N125-N215 PolarHBondContact ND2-O 2.97Å; N125-N215 PolarHBondContact ND2-OD1 2.92Å; N211-N215 CarbonylContact O-C 3.51Å; N211-N215 WeakPolarHBondContact O-CA 3.26Å; N211-N215 PolarHBondContact O-N 3.25Å; V212-N215 PolarHBondContact O-N 2.87Å; V212-N215 PolarHBondContact O-ND2 3.14Å; V212-N215 VanDerWaalsContact O-ND2 3.16Å
216T97.8Very high96.3Very high69 Ų6951.2 Ų51.242%0.42328%0.276SS..EExtended strand (participates in β ladder)trans-91.7125.4173.752.40000110.2N211 T214N211-T216 PolarHBondContact N-O 2.91Å; N211-T216 PolarHBondContact O-N 3.05Å; N211-T216 VanDerWaalsContact O-N 3.16Å; T214-T216 PolarHBondContact O-N 2.83Å; T214-T216 PolarHBondContact OG1-OG1 3.07Å
217L97.8Very high96.6Very high36 Ų3647.4 Ų47.419%0.18826%0.255CS..EExtended strand (participates in β ladder)trans-114.1125.5176-173.7144.1000110.4H128 L209 L210 T219H128-L217 HydrophobicContact CB-CD1 3.52Å; H128-L217 HydrophobicContact CB-CD2 3.95Å; H128-L217 HydrophobicContact CB-CG 4.4Å; L209-L217 CarbonylContact O-C 3.57Å; L209-L217 WeakPolarHBondContact O-CA 3.12Å; L210-L217 HydrophobicContact CB-CD1 4.31Å; L210-L217 HydrophobicContact CD1-CB 4.06Å; L210-L217 HydrophobicContact CD1-CD1 4.25Å; L217-T219 HydrophobicContact CD2-CG2 3.72Å
218E95.8Very high96.6Very high114 Ų11446.6 Ų46.653%0.53325%0.251SS..EExtended strand (participates in β ladder)trans-111130176.9-67170.1-162.500108.4L209L209-E218 HydrophobicContact CB-CB 4.34Å; L209-E218 PolarHBondContact N-O 3.22Å; L209-E218 PolarHBondContact O-N 3.16Å
219T96.3Very high96.4Very high46 Ų4652 Ų5228%0.28228%0.279SS..  trans-152.1134.5178.1178.90000110.4L217 Y221L217-T219 HydrophobicContact CD2-CG2 3.72Å; T219-Y221 PolarHBondContact O-N 3.45Å; T219-Y221 PolarHBondContact OG1-N 3.41Å; T219-Y221 VanDerWaalsContact OG1-N 3.1Å
220P94.7Very high96.3Very high70 Ų7055.2 Ų55.246%0.45530%0.297SS..SBendtrans-77.6-7.7170.131.8-32.7000112.2V207V207-P220 WeakPolarHBondContact O-CD 3.37Å
221Y95.6Very high96.1Very high36 Ų3655.6 Ų55.614%0.14130%0.299CS..  trans-101165-171.5-52.2-61.1000113.8R137 D206 V208 T219R137-Y221 HydrophobicContact CB-CE2 4.44Å; R137-Y221 VanDerWaalsContact CD-CE2 3.5Å; R137-Y221 HydrophobicContact CG-CD2 3.94Å; R137-Y221 HydrophobicContact CG-CE2 4.02Å; D206-Y221 WeakPolarHBondContact CB-OH 3.41Å; D206-Y221 PolarHBondContact O-OH 3.38Å; D206-Y221 WeakPolarHBondContact OD2-CE1 3.42Å; D206-Y221 PolarHBondContact OD2-OH 3.46Å; V208-Y221 HydrophobicContact CG2-CD2 3.75Å; V208-Y221 HydrophobicContact CG2-CE2 4.09Å; T219-Y221 PolarHBondContact O-N 3.45Å; T219-Y221 PolarHBondContact OG1-N 3.41Å; T219-Y221 VanDerWaalsContact OG1-N 3.1Å
222H94.4Very high96.1Very high132 Ų13254.6 Ų54.661%0.61129%0.294SS*.  trans-121.438.3177.1-63.6-11.8000111.2L224 Q225 S226H222-L224 PolarHBondContact O-N 2.79Å; H222-Q225 VanDerWaalsContact C-OE1 3.23Å; H222-Q225 VanDerWaalsContact CA-OE1 3.28Å; H222-Q225 HydrophobicContact CB-CB 4.44Å; H222-Q225 PolarHBondContact O-N 2.72Å; H222-Q225 PolarHBondContact O-OE1 3.13Å; H222-S226 PolarHBondContact O-N 2.72Å; H222-S226 VanDerWaalsContact O-N 3.07Å; H222-S226 PolarHBondContact O-OG 2.75Å
223D96.1Very high96Very high7 Ų757.5 Ų57.54%0.03732%0.315CS..Hα-helixtrans-60.2-44.1-173.8-62.7-17.5000111.9A131 Y135 R137 Q225 S226 L227A131-D223 HydrophobicContact CB-CB 4.05Å; Y135-D223 HydrophobicContact CD2-CB 3.66Å; Y135-D223 HydrophobicContact CE2-CB 4.09Å; Y135-D223 HydrophobicContact CG-CB 4.13Å; R137-D223 VanDerWaalsContact CG-OD2 3.29Å; R137-D223 WeakPolarHBondContact CG-OD2 3.39Å; R137-D223 IonicContact CZ-OD1 3.53Å; R137-D223 IonicContact CZ-OD2 3.84Å; R137-D223 IonicContact NE-OD1 2.79Å; R137-D223 PolarHBondContact NE-OD1 3.39Å; R137-D223 IonicContact NE-OD2 3.82Å; R137-D223 PolarHBondContact NE-OD2 3.16Å; R137-D223 IonicContact NH2-OD1 2.7Å; R137-D223 PolarHBondContact NH2-OD1 3.45Å; R137-D223 IonicContact NH2-OD2 2.77Å; D223-Q225 VanDerWaalsContact C-N 3.3Å; D223-Q225 PolarHBondContact O-N 2.94Å; D223-S226 WeakPolarHBondContact O-CB 3.3Å; D223-S226 PolarHBondContact O-N 2.99Å; D223-L227 PolarHBondContact O-N 2.6Å
224L96.3Very high96Very high20 Ų2056.8 Ų56.811%0.10532%0.315CS..Hα-helixtrans-66.7-31.7-179.9-177.259.4000112.5L127 A131 H222 S226 L227 V232L127-L224 HydrophobicContact CB-CD1 3.98Å; L127-L224 HydrophobicContact CB-CD2 3.95Å; A131-L224 HydrophobicContact CB-CB 3.93Å; A131-L224 HydrophobicContact CB-CD1 4.16Å; H222-L224 PolarHBondContact O-N 2.79Å; L224-S226 VanDerWaalsContact C-N 3.3Å; L224-L227 HydrophobicContact CD1-CD1 4.31Å; L224-V232 HydrophobicContact CD1-CG1 3.78Å; L224-V232 HydrophobicContact CD1-CG2 3.93Å
225Q94.1Very high96Very high113 Ų11353 Ų5353%0.52829%0.292SS..Hα-helixtrans-76-21.9174.8-62.284.9-18.900112.2H222 D223H222-Q225 VanDerWaalsContact C-OE1 3.23Å; H222-Q225 VanDerWaalsContact CA-OE1 3.28Å; H222-Q225 HydrophobicContact CB-CB 4.44Å; H222-Q225 PolarHBondContact O-N 2.72Å; H222-Q225 PolarHBondContact O-OE1 3.13Å; D223-Q225 VanDerWaalsContact C-N 3.3Å; D223-Q225 PolarHBondContact O-N 2.94Å
226S94.1Very high95.9Very high55 Ų5554 Ų5439%0.38529%0.294SS..Hα-helixtrans-86.1-16178.9-58.20000113Y135 H222 D223 L224Y135-S226 WeakPolarHBondContact OH-CB 3.21Å; H222-S226 PolarHBondContact O-N 2.72Å; H222-S226 VanDerWaalsContact O-N 3.07Å; H222-S226 PolarHBondContact O-OG 2.75Å; D223-S226 WeakPolarHBondContact O-CB 3.3Å; D223-S226 PolarHBondContact O-N 2.99Å; L224-S226 VanDerWaalsContact C-N 3.3Å
227L95.6Very high95.9Very high4 Ų453.3 Ų53.32%0.02129%0.292CS..SBendtrans-72.2151.8171-66.4-175.1000112.4A131 L134 Y135 D223 L224 N229 V232 F295A131-L227 HydrophobicContact CB-CD1 3.74Å; A131-L227 HydrophobicContact CB-CG 4.34Å; L134-L227 HydrophobicContact CD1-CD1 4.37Å; L134-L227 HydrophobicContact CD1-CD2 4.24Å; Y135-L227 HydrophobicContact CE2-CD2 3.98Å; D223-L227 PolarHBondContact O-N 2.6Å; L224-L227 HydrophobicContact CD1-CD1 4.31Å; L227-N229 PolarHBondContact O-N 3.48Å; L227-N229 VanDerWaalsContact O-N 3.15Å; L227-V232 HydrophobicContact CB-CG2 3.62Å; L227-V232 HydrophobicContact CD1-CG2 4.09Å; L227-F295 HydrophobicContact CD2-CD2 3.53Å; L227-F295 HydrophobicContact CD2-CE2 3.49Å; L227-F295 VanDerWaalsContact CD2-CE2 3.49Å
228P95.6Very high95.8Very high2 Ų253.5 Ų53.51%0.01329%0.29CS..  trans-54116.9171.2-26.735.4000112.9D230 V231 V232 L261 M292P228-D230 WeakPolarHBondContact CB-OD1 3.24Å; P228-D230 PolarHBondContact O-N 2.8Å; P228-V231 HydrophobicContact CB-CB 4.4Å; P228-V231 HydrophobicContact CB-CG2 4.06Å; P228-V231 PolarHBondContact O-N 3.09Å; P228-V232 PolarHBondContact O-N 2.96Å; P228-L261 HydrophobicContact CG-CD2 3.94Å; P228-M292 HydrophobicContact CB-CE 4.32Å; P228-M292 HydrophobicContact CG-CB 4.25Å; P228-M292 HydrophobicContact CG-CE 3.8Å; P228-M292 HydrophobicContact CG-SD 3.8Å
229N95.3Very high95.8Very high113 Ų11348.2 Ų48.260%0.60427%0.266SS*.Hα-helixtrans-64.3-28.3-172.6-82.6-89.1000113.2L227 S233L227-N229 PolarHBondContact O-N 3.48Å; L227-N229 VanDerWaalsContact O-N 3.15Å; N229-S233 WeakPolarHBondContact O-CB 3.49Å; N229-S233 PolarHBondContact O-N 2.93Å; N229-S233 PolarHBondContact O-OG 3.39Å
230D94.3Very high95.7Very high94 Ų9452.7 Ų52.750%0.50328%0.281SS..Hα-helixtrans-61.4-49.3170.352-64.7000111.5P228 S233 S234P228-D230 WeakPolarHBondContact CB-OD1 3.24Å; P228-D230 PolarHBondContact O-N 2.8Å; D230-S233 PolarHBondContact O-OG 2.63Å; D230-S234 WeakPolarHBondContact O-CB 3.42Å; D230-S234 PolarHBondContact O-N 2.77Å
231V95.6Very high95.5Very high7 Ų754.2 Ų54.24%0.04228%0.281CS..Hα-helixtrans-63.5-48.3175-178.30000111P228 S233 S234 L235 L261P228-V231 HydrophobicContact CB-CB 4.4Å; P228-V231 HydrophobicContact CB-CG2 4.06Å; P228-V231 PolarHBondContact O-N 3.09Å; V231-S233 PolarHBondContact O-N 3.32Å; V231-S234 PolarHBondContact O-N 3.15Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 PolarHBondContact O-N 3.02Å; V231-L261 HydrophobicContact CB-CD2 4.43Å; V231-L261 HydrophobicContact CG1-CD1 4.32Å; V231-L261 HydrophobicContact CG1-CD2 4.31Å; V231-L261 HydrophobicContact CG1-CG 4.07Å; V231-L261 HydrophobicContact CG2-CD2 4.18Å; V231-L261 HydrophobicContact CG2-CG 4.45Å
232V97.3Very high94.9Very high19 Ų1958.1 Ų58.112%0.11531%0.308CS..Hα-helixtrans-61.2-45.9-178.5173.90000111.6L224 L227 P228 L235 K236L224-V232 HydrophobicContact CD1-CG1 3.78Å; L224-V232 HydrophobicContact CD1-CG2 3.93Å; L227-V232 HydrophobicContact CB-CG2 3.62Å; L227-V232 HydrophobicContact CD1-CG2 4.09Å; P228-V232 PolarHBondContact O-N 2.96Å; V232-L235 PolarHBondContact O-N 2.97Å; V232-K236 WeakPolarHBondContact O-CB 3.49Å; V232-K236 PolarHBondContact O-N 3.06Å
233S97Very high94.3Very high70 Ų7056.7 Ų56.749%0.4931%0.313SS..Hα-helixtrans-69.1-36.7178.261.10000112.5N229 D230 V231 K236 S237N229-S233 WeakPolarHBondContact O-CB 3.49Å; N229-S233 PolarHBondContact O-N 2.93Å; N229-S233 PolarHBondContact O-OG 3.39Å; D230-S233 PolarHBondContact O-OG 2.63Å; V231-S233 PolarHBondContact O-N 3.32Å; S233-K236 PolarHBondContact O-N 3.44Å; S233-S237 VanDerWaalsContact O-CB 3.26Å; S233-S237 WeakPolarHBondContact O-CB 3.47Å; S233-S237 PolarHBondContact O-N 2.9Å
234S96.3Very high93.5Very high54 Ų5458.4 Ų58.438%0.37832%0.323SS..Hα-helixtrans-62.9-44.9174.5-171.60000111.7D230 V231 S237 R238D230-S234 WeakPolarHBondContact O-CB 3.42Å; D230-S234 PolarHBondContact O-N 2.77Å; V231-S234 PolarHBondContact O-N 3.15Å; S234-S237 PolarHBondContact O-N 3.32Å; S234-R238 PolarHBondContact O-N 3.31Å; S234-R238 PolarHBondContact O-NH1 3.27Å; S234-R238 PolarHBondContact OG-NH1 3.13Å
235L97.4Very high92.9Very high2 Ų258.4 Ų58.41%0.0132%0.324CS..Hα-helixtrans-63-51.8173.2179.954.1000111.7L127 Y130 V231 V232 S237 R238 L239 A253 F254 S257L127-L235 HydrophobicContact CD2-CB 4.26Å; L127-L235 HydrophobicContact CD2-CD2 3.44Å; L127-L235 VanDerWaalsContact CD2-CD2 3.44Å; L127-L235 HydrophobicContact CD2-CG 3.7Å; Y130-L235 HydrophobicContact CD1-CD2 4.16Å; Y130-L235 HydrophobicContact CE1-CD2 4.1Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 PolarHBondContact O-N 3.02Å; V232-L235 PolarHBondContact O-N 2.97Å; L235-S237 PolarHBondContact O-N 3.13Å; L235-R238 PolarHBondContact O-N 2.73Å; L235-L239 HydrophobicContact CD1-CD1 3.86Å; L235-L239 HydrophobicContact CD1-CD2 4.44Å; L235-L239 HydrophobicContact CD1-CG 3.96Å; L235-L239 HydrophobicContact CG-CD1 3.96Å; L235-L239 HydrophobicContact CG-CG 4.44Å; L235-L239 WeakPolarHBondContact O-CG 3.48Å; L235-L239 PolarHBondContact O-N 3.37Å; L235-A253 HydrophobicContact CD1-CB 4.07Å; L235-A253 WeakPolarHBondContact CD1-O 3.44Å; L235-F254 HydrophobicContact CD1-CD1 4.08Å; L235-F254 HydrophobicContact CD1-CD2 4.3Å; L235-F254 HydrophobicContact CD1-CE1 4.27Å; L235-F254 HydrophobicContact CD1-CE2 4.49Å; L235-F254 HydrophobicContact CD1-CG 4.1Å; L235-F254 HydrophobicContact CD1-CZ 4.47Å; L235-F254 HydrophobicContact CD2-CD1 3.84Å; L235-F254 HydrophobicContact CD2-CE1 3.73Å; L235-F254 HydrophobicContact CD2-CZ 4.46Å; L235-F254 HydrophobicContact CG-CE1 4.48Å; L235-S257 WeakPolarHBondContact CB-OG 3.37Å
236K97.4Very high92.7Very high71 Ų7157.3 Ų57.331%0.30933%0.326SS..Hα-helixtrans-58.1-33.1177.9-166.6166.4-168.3158.10112.6V123 N124 L127 V232 S233 K240V123-K236 HydrophobicContact CG1-CG 4.48Å; N124-K236 WeakPolarHBondContact OD1-CE 3.41Å; N124-K236 PolarHBondContact OD1-NZ 2.83Å; L127-K236 HydrophobicContact CD1-CB 3.83Å; L127-K236 HydrophobicContact CD1-CD 3.7Å; L127-K236 HydrophobicContact CD1-CG 3.78Å; V232-K236 WeakPolarHBondContact O-CB 3.49Å; V232-K236 PolarHBondContact O-N 3.06Å; S233-K236 PolarHBondContact O-N 3.44Å; K236-K240 WeakPolarHBondContact O-CB 3.27Å; K236-K240 WeakPolarHBondContact O-CG 3.44Å; K236-K240 PolarHBondContact O-N 2.92Å
237S96.5Very high92.7Very high55 Ų5556 Ų5639%0.38532%0.321SS..Hα-helixtrans-70.9-33.7174.5-1700000113S233 S234 L235 K241S233-S237 VanDerWaalsContact O-CB 3.26Å; S233-S237 WeakPolarHBondContact O-CB 3.47Å; S233-S237 PolarHBondContact O-N 2.9Å; S234-S237 PolarHBondContact O-N 3.32Å; L235-S237 PolarHBondContact O-N 3.13Å; S237-K241 WeakPolarHBondContact O-CD 3.41Å; S237-K241 WeakPolarHBondContact O-CE 3.49Å; S237-K241 VanDerWaalsContact O-CG 3.27Å; S237-K241 WeakPolarHBondContact O-CG 3.4Å; S237-K241 PolarHBondContact OG-NZ 2.77Å; S237-K241 VanDerWaalsContact OG-NZ 3.1Å
238R95.5Very high92.7Very high39 Ų3958.2 Ų58.215%0.14733%0.333CS..Hα-helixtrans-72.7-50.6174.3-71-173.9-70.1-83.68.6111.5S234 L235 K240 K241 T244 A253 S257S234-R238 PolarHBondContact O-N 3.31Å; S234-R238 PolarHBondContact O-NH1 3.27Å; S234-R238 PolarHBondContact OG-NH1 3.13Å; L235-R238 PolarHBondContact O-N 2.73Å; R238-K240 PolarHBondContact O-N 2.7Å; R238-K240 VanDerWaalsContact O-N 3.15Å; R238-K241 PolarHBondContact O-N 3.37Å; R238-T244 PolarHBondContact O-OG1 3.27Å; R238-A253 HydrophobicContact CB-CB 3.62Å; R238-A253 HydrophobicContact CG-CB 4.3Å; R238-A253 VanDerWaalsContact NE-CA 3.35Å; R238-A253 PolarHBondContact NE-O 2.95Å; R238-A253 PolarHBondContact NH2-O 2.83Å; R238-S257 PolarHBondContact NH2-OG 2.86Å; R238-S257 VanDerWaalsContact NH2-OG 3.09Å
239L95.7Very high92.7Very high3 Ų358.6 Ų58.62%0.01634%0.337CS..Hα-helixtrans-62.4-23.8-177.2-63.5176.8000113.7V123 L235 T245 V250 A253 F254V123-L239 HydrophobicContact CG1-CB 3.61Å; V123-L239 HydrophobicContact CG1-CD1 4.06Å; V123-L239 HydrophobicContact CG2-CB 4.13Å; L235-L239 HydrophobicContact CD1-CD1 3.86Å; L235-L239 HydrophobicContact CD1-CD2 4.44Å; L235-L239 HydrophobicContact CD1-CG 3.96Å; L235-L239 HydrophobicContact CG-CD1 3.96Å; L235-L239 HydrophobicContact CG-CG 4.44Å; L235-L239 WeakPolarHBondContact O-CG 3.48Å; L235-L239 PolarHBondContact O-N 3.37Å; L239-T245 WeakPolarHBondContact O-CG2 3.43Å; L239-V250 HydrophobicContact CD2-CG1 3.86Å; L239-A253 HydrophobicContact CD2-CB 4.19Å; L239-F254 HydrophobicContact CD1-CE2 3.86Å; L239-F254 HydrophobicContact CD1-CZ 3.77Å; L239-F254 HydrophobicContact CD2-CD2 4.28Å; L239-F254 HydrophobicContact CD2-CE2 3.76Å; L239-F254 HydrophobicContact CG-CE2 4.42Å
240K94.4Very high92.8Very high140 Ų14053.2 Ų53.261%0.60931%0.308SS*.THydrogen-bonded Turntrans-87.7-3.4174.4-72.6-164.2171.3-152.20115.4V123 K236 R238V123-K240 HydrophobicContact CG1-CG 4.24Å; K236-K240 WeakPolarHBondContact O-CB 3.27Å; K236-K240 WeakPolarHBondContact O-CG 3.44Å; K236-K240 PolarHBondContact O-N 2.92Å; R238-K240 PolarHBondContact O-N 2.7Å; R238-K240 VanDerWaalsContact O-N 3.15Å
241K91.8Very high92.9Very high103 Ų10349 Ų4945%0.44829%0.286SS..  trans-100.4114.1-179.6-76.2166.3-172.8162.90110.1S237 R238 S243 T244 T245S237-K241 WeakPolarHBondContact O-CD 3.41Å; S237-K241 WeakPolarHBondContact O-CE 3.49Å; S237-K241 VanDerWaalsContact O-CG 3.27Å; S237-K241 WeakPolarHBondContact O-CG 3.4Å; S237-K241 PolarHBondContact OG-NZ 2.77Å; S237-K241 VanDerWaalsContact OG-NZ 3.1Å; R238-K241 PolarHBondContact O-N 3.37Å; K241-S243 PolarHBondContact O-N 2.92Å; K241-S243 VanDerWaalsContact O-N 3.08Å; K241-T244 WeakPolarHBondContact CB-OG1 3.47Å; K241-T244 CarbonylContact O-C 3.57Å; K241-T244 WeakPolarHBondContact O-CA 3.35Å; K241-T244 PolarHBondContact O-N 2.83Å; K241-T244 PolarHBondContact O-OG1 3.27Å; K241-T245 WeakPolarHBondContact O-CG2 3.46Å; K241-T245 PolarHBondContact O-N 3.42Å
242V82.8Confident93Very high118 Ų11852 Ų5272%0.71530%0.297SS*.G310 helixtrans-53.6-32.5179.6-174.60000112.7T244 T245V242-T244 PolarHBondContact O-N 3.4Å; V242-T244 VanDerWaalsContact O-N 3.13Å; V242-T245 WeakPolarHBondContact CA-OG1 3.35Å; V242-T245 PolarHBondContact O-N 3.06Å; V242-T245 PolarHBondContact O-OG1 3.29Å; V242-T245 VanDerWaalsContact O-OG1 3.11Å
243S80.4Confident93Very high101 Ų10151.2 Ų51.271%0.70629%0.292SS*.G310 helixtrans-66-8174.859.60000115.2K241K241-S243 PolarHBondContact O-N 2.92Å; K241-S243 VanDerWaalsContact O-N 3.08Å
244T81.1Confident93Very high43 Ų4347.9 Ų47.926%0.26427%0.269SS..G310 helixtrans-129.520.2177.943.60000112R238 K241 V242 G249 V250R238-T244 PolarHBondContact O-OG1 3.27Å; K241-T244 WeakPolarHBondContact CB-OG1 3.47Å; K241-T244 CarbonylContact O-C 3.57Å; K241-T244 WeakPolarHBondContact O-CA 3.35Å; K241-T244 PolarHBondContact O-N 2.83Å; K241-T244 PolarHBondContact O-OG1 3.27Å; V242-T244 PolarHBondContact O-N 3.4Å; V242-T244 VanDerWaalsContact O-N 3.13Å; T244-G249 CarbonylContact O-C 3.59Å; T244-G249 WeakPolarHBondContact O-CA 3.48Å; T244-V250 PolarHBondContact O-N 3.11Å
245T83.2Confident93.1Very high20 Ų2045.5 Ų45.512%0.12325%0.252CS..SBendtrans-112.89.8173.662.10000113F118 L239 K241 V242 V250F118-T245 HydrophobicContact CE1-CG2 3.83Å; F118-T245 HydrophobicContact CE2-CG2 4.1Å; F118-T245 HydrophobicContact CZ-CG2 3.32Å; L239-T245 WeakPolarHBondContact O-CG2 3.43Å; K241-T245 WeakPolarHBondContact O-CG2 3.46Å; K241-T245 PolarHBondContact O-N 3.42Å; V242-T245 WeakPolarHBondContact CA-OG1 3.35Å; V242-T245 PolarHBondContact O-N 3.06Å; V242-T245 PolarHBondContact O-OG1 3.29Å; V242-T245 VanDerWaalsContact O-OG1 3.11Å; T245-V250 HydrophobicContact CG2-CG2 4.47Å
246T90.1Very high93Very high91 Ų9148.5 Ų48.556%0.55826%0.264SS*.SBendtrans-120.8155.7173.153.70000110G249T246-G249 PolarHBondContact O-N 3.2Å
247G94.1Very high93Very high28 Ų2845.1 Ų45.129%0.28925%0.25SC..BIsolated β-bridgetrans58.5-145.4-170.200000111.3S107 I108 G249S107-G247 CarbonylContact C-O 3.26Å; S107-G247 VanDerWaalsContact CA-O 3.32Å; S107-G247 WeakPolarHBondContact CA-O 3.42Å; I108-G247 PolarHBondContact N-O 3.49Å; I108-G247 PolarHBondContact O-N 2.89Å; G247-G249 PolarHBondContact O-N 3.26Å; G247-G249 VanDerWaalsContact O-N 3.13Å
248D94.6Very high93.1Very high50 Ų5042.5 Ų42.527%0.26723%0.231SC..THydrogen-bonded Turntrans-70.8-2179.877.9-2.3000114.7L105 S107 V250 A251 R252L105-D248 HydrophobicContact CB-CB 3.96Å; L105-D248 HydrophobicContact CD1-CB 4.27Å; S107-D248 PolarHBondContact OG-N 3.43Å; D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 PolarHBondContact O-N 3.45Å; D248-V250 VanDerWaalsContact O-N 3.1Å; D248-A251 PolarHBondContact O-N 3.36Å; D248-A251 VanDerWaalsContact O-N 3.09Å; D248-R252 VanDerWaalsContact O-CB 3.32Å; D248-R252 WeakPolarHBondContact O-CB 3.33Å; D248-R252 PolarHBondContact O-N 3.02Å; D248-R252 IonicContact OD1-NE 2.7Å; D248-R252 PolarHBondContact OD1-NE 2.79Å; D248-R252 IonicContact OD2-CZ 3.46Å; D248-R252 IonicContact OD2-NE 2.62Å; D248-R252 PolarHBondContact OD2-NE 2.94Å; D248-R252 IonicContact OD2-NH2 3.7Å; D248-R252 PolarHBondContact OD2-NH2 3.16Å
249G96.1Very high93.1Very high9 Ų941 Ų419%0.09323%0.227CC..Hα-helixtrans-57.4-34.5-163.700000115.1T244 T246 G247 A253T244-G249 CarbonylContact O-C 3.59Å; T244-G249 WeakPolarHBondContact O-CA 3.48Å; T246-G249 PolarHBondContact O-N 3.2Å; G247-G249 PolarHBondContact O-N 3.26Å; G247-G249 VanDerWaalsContact O-N 3.13Å; G249-A253 VanDerWaalsContact O-CB 3.23Å; G249-A253 WeakPolarHBondContact O-CB 3.4Å; G249-A253 PolarHBondContact O-N 2.81Å
250V97Very high93Very high0 Ų043.1 Ų43.10%024%0.242CC..Hα-helixtrans-71.1-53.3175.7179.40000110.7I108 L114 F118 M126 M159 L239 T244 T245 D248 R252 A253 F254I108-V250 HydrophobicContact CD1-CB 4.16Å; I108-V250 HydrophobicContact CD1-CG2 3.6Å; L114-V250 HydrophobicContact CD1-CG1 3.96Å; L114-V250 HydrophobicContact CD2-CB 4.45Å; F118-V250 HydrophobicContact CD2-CG1 4.15Å; F118-V250 HydrophobicContact CD2-CG2 3.97Å; F118-V250 HydrophobicContact CE2-CG2 4.13Å; F118-V250 HydrophobicContact CG-CG2 4.27Å; M126-V250 HydrophobicContact CE-CG1 4.4Å; M159-V250 HydrophobicContact SD-CG1 4.46Å; L239-V250 HydrophobicContact CD2-CG1 3.86Å; T244-V250 PolarHBondContact O-N 3.11Å; T245-V250 HydrophobicContact CG2-CG2 4.47Å; D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 PolarHBondContact O-N 3.45Å; D248-V250 VanDerWaalsContact O-N 3.1Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.8Å; V250-A253 WeakPolarHBondContact O-CA 3.48Å; V250-A253 WeakPolarHBondContact O-CB 3.43Å; V250-A253 PolarHBondContact O-N 3.33Å; V250-F254 HydrophobicContact CG1-CD2 4.29Å; V250-F254 HydrophobicContact CG1-CE2 4.17Å; V250-F254 WeakPolarHBondContact O-CD2 3.28Å; V250-F254 PolarHBondContact O-N 3.06Å
251A97.5Very high93.1Very high5 Ų536.4 Ų36.44%0.04121%0.213CC..Hα-helixtrans-59.4-44178.300000111.5L105 P106 L114 M159 D248 A253 F254 L255L105-A251 HydrophobicContact CB-CB 4.1Å; P106-A251 HydrophobicContact CG-CB 3.99Å; P106-A251 WeakPolarHBondContact O-CB 3.15Å; L114-A251 HydrophobicContact CD2-CB 4.22Å; M159-A251 HydrophobicContact CE-CB 4.11Å; D248-A251 PolarHBondContact O-N 3.36Å; D248-A251 VanDerWaalsContact O-N 3.09Å; A251-A253 VanDerWaalsContact C-N 3.28Å; A251-A253 PolarHBondContact O-N 3.47Å; A251-F254 PolarHBondContact O-N 2.96Å; A251-L255 WeakPolarHBondContact O-CB 3.34Å; A251-L255 PolarHBondContact O-N 3.43Å
252R96.4Very high93.3Very high72 Ų7231.5 Ų31.527%0.27219%0.192SC..Hα-helixtrans-64-30.2174.3-173171.5-65.3-76.80.4112.6L105 D248 V250 K256 E329L105-R252 HydrophobicContact CD1-CB 3.93Å; D248-R252 VanDerWaalsContact O-CB 3.32Å; D248-R252 WeakPolarHBondContact O-CB 3.33Å; D248-R252 PolarHBondContact O-N 3.02Å; D248-R252 IonicContact OD1-NE 2.7Å; D248-R252 PolarHBondContact OD1-NE 2.79Å; D248-R252 IonicContact OD2-CZ 3.46Å; D248-R252 IonicContact OD2-NE 2.62Å; D248-R252 PolarHBondContact OD2-NE 2.94Å; D248-R252 IonicContact OD2-NH2 3.7Å; D248-R252 PolarHBondContact OD2-NH2 3.16Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.8Å; R252-K256 WeakPolarHBondContact O-CG 3.37Å; R252-K256 PolarHBondContact O-N 3.03Å; R252-K256 VanDerWaalsContact O-N 3.08Å; R252-E329 IonicContact NH1-OE2 3.15Å
253A97.1Very high93.8Very high1 Ų125.9 Ų25.91%0.00816%0.158CC..Hα-helixtrans-67.2-39.4174.700000112.3L235 R238 L239 G249 V250 A251 S257L235-A253 HydrophobicContact CD1-CB 4.07Å; L235-A253 WeakPolarHBondContact CD1-O 3.44Å; R238-A253 HydrophobicContact CB-CB 3.62Å; R238-A253 HydrophobicContact CG-CB 4.3Å; R238-A253 VanDerWaalsContact NE-CA 3.35Å; R238-A253 PolarHBondContact NE-O 2.95Å; R238-A253 PolarHBondContact NH2-O 2.83Å; L239-A253 HydrophobicContact CD2-CB 4.19Å; G249-A253 VanDerWaalsContact O-CB 3.23Å; G249-A253 WeakPolarHBondContact O-CB 3.4Å; G249-A253 PolarHBondContact O-N 2.81Å; V250-A253 WeakPolarHBondContact O-CA 3.48Å; V250-A253 WeakPolarHBondContact O-CB 3.43Å; V250-A253 PolarHBondContact O-N 3.33Å; A251-A253 VanDerWaalsContact C-N 3.28Å; A251-A253 PolarHBondContact O-N 3.47Å; A253-S257 PolarHBondContact O-OG 2.89Å
254F98.1Very high94.4Very high1 Ų121.6 Ų21.60%0.00413%0.128CC..Hα-helixtrans-73.4-40.9173-77.9-84000112.4M126 Y130 M159 L235 L239 V250 A251 K256 S257 Q258M126-F254 HydrophobicContact CB-CZ 4.37Å; M126-F254 HydrophobicContact CE-CE2 4.03Å; M126-F254 HydrophobicContact CE-CZ 4.28Å; Y130-F254 HydrophobicContact CD1-CD1 4.39Å; Y130-F254 HydrophobicContact CD1-CE1 4.23Å; Y130-F254 AromaticContact CD2-CD1 3.65Å; Y130-F254 HydrophobicContact CD2-CD1 3.65Å; Y130-F254 AromaticContact CD2-CE1 3.81Å; Y130-F254 HydrophobicContact CD2-CE1 3.81Å; Y130-F254 HydrophobicContact CE1-CD1 4.49Å; Y130-F254 AromaticContact CE2-CD1 3.81Å; Y130-F254 HydrophobicContact CE2-CD1 3.81Å; Y130-F254 HydrophobicContact CE2-CE1 4.4Å; Y130-F254 AromaticContact CG-CD1 3.97Å; Y130-F254 HydrophobicContact CG-CD1 3.97Å; Y130-F254 AromaticContact CG-CE1 3.72Å; Y130-F254 HydrophobicContact CG-CE1 3.72Å; M159-F254 HydrophobicContact CB-CB 4.01Å; M159-F254 HydrophobicContact CB-CD1 3.87Å; M159-F254 HydrophobicContact CB-CD2 4.07Å; M159-F254 HydrophobicContact CB-CE1 4.31Å; M159-F254 HydrophobicContact CB-CE2 4.49Å; M159-F254 HydrophobicContact CB-CG 3.73Å; M159-F254 HydrophobicContact CG-CB 4.44Å; M159-F254 HydrophobicContact CG-CD1 4.33Å; M159-F254 HydrophobicContact CG-CD2 3.7Å; M159-F254 HydrophobicContact CG-CE2 3.92Å; M159-F254 HydrophobicContact CG-CG 3.92Å; M159-F254 HydrophobicContact CG-CZ 4.34Å; M159-F254 HydrophobicContact SD-CB 4.08Å; M159-F254 HydrophobicContact SD-CD2 3.34Å; M159-F254 WeakPolarHBondContact SD-CD2 3.3Å; M159-F254 HydrophobicContact SD-CE2 3.93Å; M159-F254 HydrophobicContact SD-CG 3.87Å; L235-F254 HydrophobicContact CD1-CD1 4.08Å; L235-F254 HydrophobicContact CD1-CD2 4.3Å; L235-F254 HydrophobicContact CD1-CE1 4.27Å; L235-F254 HydrophobicContact CD1-CE2 4.49Å; L235-F254 HydrophobicContact CD1-CG 4.1Å; L235-F254 HydrophobicContact CD1-CZ 4.47Å; L235-F254 HydrophobicContact CD2-CD1 3.84Å; L235-F254 HydrophobicContact CD2-CE1 3.73Å; L235-F254 HydrophobicContact CD2-CZ 4.46Å; L235-F254 HydrophobicContact CG-CE1 4.48Å; L239-F254 HydrophobicContact CD1-CE2 3.86Å; L239-F254 HydrophobicContact CD1-CZ 3.77Å; L239-F254 HydrophobicContact CD2-CD2 4.28Å; L239-F254 HydrophobicContact CD2-CE2 3.76Å; L239-F254 HydrophobicContact CG-CE2 4.42Å; V250-F254 HydrophobicContact CG1-CD2 4.29Å; V250-F254 HydrophobicContact CG1-CE2 4.17Å; V250-F254 WeakPolarHBondContact O-CD2 3.28Å; V250-F254 PolarHBondContact O-N 3.06Å; A251-F254 PolarHBondContact O-N 2.96Å; F254-K256 VanDerWaalsContact C-N 3.3Å; F254-K256 PolarHBondContact O-N 3.05Å; F254-S257 CarbonylContact O-C 3.57Å; F254-S257 WeakPolarHBondContact O-CA 3.47Å; F254-S257 VanDerWaalsContact O-CB 3.27Å; F254-S257 WeakPolarHBondContact O-CB 3.32Å; F254-S257 PolarHBondContact O-N 3.39Å; F254-Q258 PolarHBondContact O-N 3.12Å
255L97.4Very high95Very high4 Ų419.6 Ų19.62%0.02112%0.115CC..Hα-helixtrans-53.2-46.8174.1-174.178.4000111.9L105 Y161 A251 S257 Q258 A259 I325 F326 E329L105-L255 HydrophobicContact CD1-CD2 4.16Å; L105-L255 HydrophobicContact CD2-CD2 4.44Å; Y161-L255 HydrophobicContact CD1-CD1 3.59Å; Y161-L255 HydrophobicContact CE1-CD1 3.78Å; A251-L255 WeakPolarHBondContact O-CB 3.34Å; A251-L255 PolarHBondContact O-N 3.43Å; L255-S257 PolarHBondContact O-N 2.89Å; L255-Q258 PolarHBondContact O-N 3.16Å; L255-A259 WeakPolarHBondContact O-CB 3.44Å; L255-A259 PolarHBondContact O-N 3.43Å; L255-I325 HydrophobicContact CD2-CB 4.39Å; L255-I325 HydrophobicContact CD2-CG2 3.75Å; L255-F326 HydrophobicContact CD1-CB 3.92Å; L255-F326 HydrophobicContact CD1-CD2 4.16Å; L255-E329 HydrophobicContact CD2-CB 3.94Å; L255-E329 HydrophobicContact CD2-CG 4.13Å; L255-E329 HydrophobicContact CG-CB 4.26Å; L255-E329 HydrophobicContact CG-CG 4.25Å
256K96.4Very high95.3Very high64 Ų6419 Ų1928%0.27811%0.111SC..Hα-helixtrans-58-36.4174.4-77.1176.3-172-58.70112.4R252 F254 S260 E329R252-K256 WeakPolarHBondContact O-CG 3.37Å; R252-K256 PolarHBondContact O-N 3.03Å; R252-K256 VanDerWaalsContact O-N 3.08Å; F254-K256 VanDerWaalsContact C-N 3.3Å; F254-K256 PolarHBondContact O-N 3.05Å; K256-S260 PolarHBondContact O-N 2.85Å; K256-S260 PolarHBondContact O-OG 2.79Å; K256-E329 WeakPolarHBondContact CE-OE2 3.32Å; K256-E329 HydrophobicContact CG-CG 3.77Å; K256-E329 WeakPolarHBondContact CG-OE1 3.27Å; K256-E329 WeakPolarHBondContact CG-OE2 3.36Å; K256-E329 IonicContact NZ-OE1 2.7Å; K256-E329 PolarHBondContact NZ-OE1 2.9Å; K256-E329 IonicContact NZ-OE2 3.72Å; K256-E329 PolarHBondContact NZ-OE2 3.08Å
257S97.2Very high95.3Very high0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-71.6-43.7176.7-53.70000111.9L235 R238 A253 F254 L255 A259 S260 L261L235-S257 WeakPolarHBondContact CB-OG 3.37Å; R238-S257 PolarHBondContact NH2-OG 2.86Å; R238-S257 VanDerWaalsContact NH2-OG 3.09Å; A253-S257 PolarHBondContact O-OG 2.89Å; F254-S257 CarbonylContact O-C 3.57Å; F254-S257 WeakPolarHBondContact O-CA 3.47Å; F254-S257 VanDerWaalsContact O-CB 3.27Å; F254-S257 WeakPolarHBondContact O-CB 3.32Å; F254-S257 PolarHBondContact O-N 3.39Å; L255-S257 PolarHBondContact O-N 2.89Å; S257-A259 VanDerWaalsContact C-N 3.29Å; S257-A259 PolarHBondContact O-N 3.47Å; S257-S260 PolarHBondContact O-N 2.83Å; S257-L261 WeakPolarHBondContact O-CB 3.39Å; S257-L261 VanDerWaalsContact O-CG 3.26Å; S257-L261 WeakPolarHBondContact O-CG 3.43Å; S257-L261 PolarHBondContact O-N 3.39Å
258Q97.4Very high95.2Very high0 Ų016.3 Ų16.30%09%0.087CC..Hα-helixtrans-57.5-43.6172-70-67.780.500110.8Y130 L160 F254 L255 L261 F262 F326Y130-Q258 HydrophobicContact CE2-CG 4.49Å; Y130-Q258 PolarHBondContact OH-OE1 3.2Å; L160-Q258 PolarHBondContact O-NE2 3.23Å; F254-Q258 PolarHBondContact O-N 3.12Å; L255-Q258 PolarHBondContact O-N 3.16Å; Q258-L261 PolarHBondContact O-N 2.93Å; Q258-F262 WeakPolarHBondContact O-CB 3.42Å; Q258-F262 PolarHBondContact O-N 3.37Å; Q258-F326 HydrophobicContact CB-CD2 4.33Å; Q258-F326 HydrophobicContact CB-CE2 3.86Å
259A95.9Very high95.1Very high7 Ų714.4 Ų14.46%0.0588%0.077CC..Hα-helixtrans-65.5-37.6177.700000112.6L255 S257 G263 F326 E329 I330L255-A259 WeakPolarHBondContact O-CB 3.44Å; L255-A259 PolarHBondContact O-N 3.43Å; S257-A259 VanDerWaalsContact C-N 3.29Å; S257-A259 PolarHBondContact O-N 3.47Å; A259-G263 VanDerWaalsContact O-CA 3.22Å; A259-G263 WeakPolarHBondContact O-CA 3.19Å; A259-G263 PolarHBondContact O-N 3.46Å; A259-F326 HydrophobicContact CB-CD2 4.4Å; A259-F326 HydrophobicContact CB-CE2 4.2Å; A259-E329 HydrophobicContact CB-CB 4.3Å; A259-E329 HydrophobicContact CB-CG 4.01Å; A259-I330 HydrophobicContact CB-CG1 4Å
260S94.9Very high94.7Very high48 Ų4817.1 Ų17.134%0.3369%0.087SC..Hα-helixtrans-67-40.8172.7-65.80000113.3K256 S257 Y335K256-S260 PolarHBondContact O-N 2.85Å; K256-S260 PolarHBondContact O-OG 2.79Å; S257-S260 PolarHBondContact O-N 2.83Å; S260-Y335 PolarHBondContact O-OH 2.62Å
261L95.9Very high94.2Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-74.8-44.2-176.9-71.2169.2000112.9Y130 L134 P228 V231 S257 Q258 M292 F295Y130-L261 HydrophobicContact CE1-CD1 4.33Å; Y130-L261 WeakPolarHBondContact OH-CD1 3.49Å; L134-L261 HydrophobicContact CD1-CD1 3.72Å; P228-L261 HydrophobicContact CG-CD2 3.94Å; V231-L261 HydrophobicContact CB-CD2 4.43Å; V231-L261 HydrophobicContact CG1-CD1 4.32Å; V231-L261 HydrophobicContact CG1-CD2 4.31Å; V231-L261 HydrophobicContact CG1-CG 4.07Å; V231-L261 HydrophobicContact CG2-CD2 4.18Å; V231-L261 HydrophobicContact CG2-CG 4.45Å; S257-L261 WeakPolarHBondContact O-CB 3.39Å; S257-L261 VanDerWaalsContact O-CG 3.26Å; S257-L261 WeakPolarHBondContact O-CG 3.43Å; S257-L261 PolarHBondContact O-N 3.39Å; Q258-L261 PolarHBondContact O-N 2.93Å; L261-M292 HydrophobicContact CD2-CE 4.3Å; L261-M292 HydrophobicContact CD2-SD 4.4Å; L261-F295 HydrophobicContact CB-CE1 3.77Å; L261-F295 HydrophobicContact CB-CZ 4.08Å; L261-F295 HydrophobicContact CD1-CZ 4.2Å; L261-F295 HydrophobicContact CD2-CD1 4.06Å; L261-F295 HydrophobicContact CD2-CE1 3.79Å; L261-F295 HydrophobicContact CD2-CE2 4.44Å; L261-F295 HydrophobicContact CD2-CZ 3.98Å; L261-F295 HydrophobicContact CG-CE1 4.24Å; L261-F295 HydrophobicContact CG-CZ 4.3Å
262F96.2Very high93.5Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-115.2-10.5-169.5-63.4-85.1000114.3L134 M163 Q258 S264 Y265 F284 F295 A299 F305 F326L134-F262 HydrophobicContact CD2-CE2 3.8Å; L134-F262 HydrophobicContact CD2-CZ 3.92Å; M163-F262 HydrophobicContact CE-CB 3.77Å; M163-F262 HydrophobicContact CE-CD1 3.69Å; M163-F262 HydrophobicContact CE-CD2 3.73Å; M163-F262 HydrophobicContact CE-CE1 4.08Å; M163-F262 HydrophobicContact CE-CE2 4.16Å; M163-F262 HydrophobicContact CE-CG 3.47Å; M163-F262 VanDerWaalsContact CE-CG 3.47Å; M163-F262 HydrophobicContact CE-CZ 4.31Å; M163-F262 HydrophobicContact SD-CD1 4.43Å; M163-F262 HydrophobicContact SD-CD2 4.32Å; M163-F262 HydrophobicContact SD-CE1 4.23Å; M163-F262 HydrophobicContact SD-CE2 4.16Å; M163-F262 HydrophobicContact SD-CG 4.45Å; M163-F262 HydrophobicContact SD-CZ 4.09Å; Q258-F262 WeakPolarHBondContact O-CB 3.42Å; Q258-F262 PolarHBondContact O-N 3.37Å; F262-S264 PolarHBondContact O-N 2.86Å; F262-Y265 WeakPolarHBondContact O-CB 3.4Å; F262-Y265 WeakPolarHBondContact O-CD1 3.39Å; F262-Y265 PolarHBondContact O-N 3.26Å; F262-F284 HydrophobicContact CD1-CZ 4.36Å; F262-F295 HydrophobicContact CE1-CE1 4.26Å; F262-F295 HydrophobicContact CE1-CZ 4.17Å; F262-F295 HydrophobicContact CE2-CE1 4.36Å; F262-F295 AromaticContact CE2-CZ 3.91Å; F262-F295 HydrophobicContact CE2-CZ 3.91Å; F262-F295 HydrophobicContact CZ-CE1 4.1Å; F262-F295 AromaticContact CZ-CZ 3.61Å; F262-F295 HydrophobicContact CZ-CZ 3.61Å; F262-A299 HydrophobicContact CE1-CB 3.89Å; F262-F305 AromaticContact CD1-CD2 3.49Å; F262-F305 HydrophobicContact CD1-CD2 3.49Å; F262-F305 VanDerWaalsContact CD1-CD2 3.49Å; F262-F305 AromaticContact CD1-CE2 3.59Å; F262-F305 HydrophobicContact CD1-CE2 3.59Å; F262-F305 HydrophobicContact CD1-CG 4.29Å; F262-F305 HydrophobicContact CD1-CZ 4.45Å; F262-F305 HydrophobicContact CE1-CB 4.35Å; F262-F305 AromaticContact CE1-CD2 3.67Å; F262-F305 HydrophobicContact CE1-CD2 3.67Å; F262-F305 HydrophobicContact CE1-CE2 4.2Å; F262-F305 HydrophobicContact CE1-CG 4.07Å; F262-F305 HydrophobicContact CG-CD2 4.48Å; F262-F305 HydrophobicContact CG-CE2 4.48Å; F262-F326 HydrophobicContact CB-CZ 4.47Å
263G93.8Very high92.6Very high0 Ų027.7 Ų27.70%016%0.158CC..G310 helixtrans-61.3-16.1-175.300000115.4A259 Y265 Y335A259-G263 VanDerWaalsContact O-CA 3.22Å; A259-G263 WeakPolarHBondContact O-CA 3.19Å; A259-G263 PolarHBondContact O-N 3.46Å; G263-Y265 PolarHBondContact O-N 2.91Å; G263-Y335 VanDerWaalsContact C-CD2 3.49Å
264S92.3Very high91.6Very high11 Ų1131.3 Ų31.38%0.07720%0.195CC..G310 helixtrans-60.7-19.1169.151.90000113.6F262 R266 N267 F284F262-S264 PolarHBondContact O-N 2.86Å; S264-R266 PolarHBondContact O-N 3.25Å; S264-R266 VanDerWaalsContact O-N 3.16Å; S264-N267 WeakPolarHBondContact O-CB 3.47Å; S264-N267 PolarHBondContact O-N 2.66Å; S264-F284 VanDerWaalsContact OG-CE2 3.31Å; S264-F284 WeakPolarHBondContact OG-CE2 3.34Å
265Y93.8Very high91Very high0 Ų038.1 Ų38.10%023%0.227CC..G310 helixtrans-55.4-35.5-174.792-84.6000113.5F262 G263 N267 A268 L269 F308 I309 R312 F322 F326 E327 I330F262-Y265 WeakPolarHBondContact O-CB 3.4Å; F262-Y265 WeakPolarHBondContact O-CD1 3.39Å; F262-Y265 PolarHBondContact O-N 3.26Å; G263-Y265 PolarHBondContact O-N 2.91Å; Y265-N267 PolarHBondContact O-N 2.82Å; Y265-A268 PolarHBondContact O-N 3.18Å; Y265-L269 HydrophobicContact CE2-CD1 4.37Å; Y265-F308 HydrophobicContact CD1-CE1 4.11Å; Y265-F308 HydrophobicContact CD1-CZ 4.4Å; Y265-F308 HydrophobicContact CD2-CE1 4.15Å; Y265-F308 HydrophobicContact CE1-CE1 4.03Å; Y265-F308 AromaticContact CE1-CZ 3.88Å; Y265-F308 HydrophobicContact CE1-CZ 3.88Å; Y265-F308 HydrophobicContact CE2-CE1 4.07Å; Y265-F308 HydrophobicContact CE2-CZ 4.27Å; Y265-F308 HydrophobicContact CG-CE1 4.16Å; Y265-F308 AromaticContact CZ-CE1 3.99Å; Y265-F308 AromaticContact CZ-CZ 3.79Å; Y265-I309 HydrophobicContact CD2-CD1 3.55Å; Y265-I309 HydrophobicContact CE2-CD1 4.36Å; Y265-I309 HydrophobicContact CG-CD1 4.02Å; Y265-R312 HydrophobicContact CE2-CB 4.43Å; Y265-R312 HydrophobicContact CE2-CG 4.11Å; Y265-R312 PolarHBondContact OH-NE 2.86Å; Y265-F322 WeakPolarHBondContact OH-CE2 3.37Å; Y265-F322 VanDerWaalsContact OH-CZ 3.31Å; Y265-F322 WeakPolarHBondContact OH-CZ 3.49Å; Y265-F326 AromaticContact CE1-CE1 3.94Å; Y265-F326 HydrophobicContact CE1-CE1 3.94Å; Y265-E327 VanDerWaalsContact OH-CD 3.26Å; Y265-E327 PolarHBondContact OH-OE1 2.89Å; Y265-E327 PolarHBondContact OH-OE2 2.88Å; Y265-I330 HydrophobicContact CD1-CD1 4.38Å; Y265-I330 HydrophobicContact CE1-CD1 3.89Å
266R90.1Very high90.6Very high8 Ų841.7 Ų41.73%0.0325%0.25CS..G310 helixtrans-59.6-33.4177.2-67.1-159-161.4151.410.9113.1S264 A268 L269 E327 N331 D339S264-R266 PolarHBondContact O-N 3.25Å; S264-R266 VanDerWaalsContact O-N 3.16Å; R266-A268 PolarHBondContact O-N 2.79Å; R266-L269 PolarHBondContact O-N 2.64Å; R266-E327 IonicContact CZ-OE2 3.95Å; R266-E327 IonicContact NE-OE2 2.71Å; R266-E327 PolarHBondContact NE-OE2 2.8Å; R266-E327 PolarHBondContact NH2-O 2.7Å; R266-E327 IonicContact NH2-OE2 3Å; R266-E327 PolarHBondContact NH2-OE2 2.94Å; R266-N331 PolarHBondContact NH1-OD1 3.17Å; R266-N331 PolarHBondContact NH2-OD1 2.86Å; R266-N331 VanDerWaalsContact NH2-OD1 3.16Å; R266-D339 WeakPolarHBondContact CD-OD2 3.44Å; R266-D339 IonicContact CZ-OD2 3.13Å; R266-D339 IonicContact NE-OD2 2.77Å; R266-D339 IonicContact NH1-OD2 2.72Å; R266-D339 PolarHBondContact NH1-OD2 3.02Å
267N89Confident90.4Very high61 Ų6139.3 Ų39.333%0.32624%0.241SC..G310 helixtrans-74.2-13.4-179.8-59.1-43.1000112.4S264 Y265 S338S264-N267 WeakPolarHBondContact O-CB 3.47Å; S264-N267 PolarHBondContact O-N 2.66Å; Y265-N267 PolarHBondContact O-N 2.82Å; N267-S338 PolarHBondContact ND2-OG 2.97Å; N267-S338 WeakPolarHBondContact OD1-CB 3.32Å; N267-S338 PolarHBondContact OD1-OG 3.12Å
268A92.4Very high90.2Very high2 Ų242.3 Ų42.32%0.01726%0.259CS..G310 helixtrans-98.81.2175.500000113.4Y265 R266 F279 N280 T283 F284Y265-A268 PolarHBondContact O-N 3.18Å; R266-A268 PolarHBondContact O-N 2.79Å; A268-F279 HydrophobicContact CB-CD2 3.98Å; A268-F279 HydrophobicContact CB-CE2 3.69Å; A268-F279 HydrophobicContact CB-CZ 4.37Å; A268-N280 WeakPolarHBondContact CB-O 3.45Å; A268-N280 WeakPolarHBondContact O-CB 3.34Å; A268-N280 PolarHBondContact O-N 2.77Å; A268-T283 HydrophobicContact CB-CG2 4.29Å; A268-F284 HydrophobicContact CB-CB 3.73Å
269L91.4Very high90.1Very high10 Ų1044 Ų445%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-75.8122.5172.9-64.3174.9000110.2Y265 R266 F271 T278 F279 L313 L316 Y342Y265-L269 HydrophobicContact CE2-CD1 4.37Å; R266-L269 PolarHBondContact O-N 2.64Å; L269-F271 HydrophobicContact CB-CD2 4.4Å; L269-F271 HydrophobicContact CB-CE2 3.55Å; L269-F271 HydrophobicContact CB-CZ 3.88Å; L269-F271 HydrophobicContact CD1-CZ 4.21Å; L269-F271 WeakPolarHBondContact O-CD2 3.31Å; L269-F271 WeakPolarHBondContact O-CE2 3.17Å; L269-T278 WeakPolarHBondContact CA-O 3.34Å; L269-F279 HydrophobicContact CD2-CD2 4.37Å; L269-L313 HydrophobicContact CD2-CD2 3.71Å; L269-L316 HydrophobicContact CD1-CD1 4.01Å; L269-Y342 HydrophobicContact CD1-CD2 4.43Å
270Q89.4Confident90.1Very high66 Ų6645.2 Ų45.231%0.30827%0.272SS..EExtended strand (participates in β ladder)trans-94.5131.1177.7-59.1-173.7-99.600110.5I277 T278 N280Q270-I277 WeakPolarHBondContact O-CA 3.34Å; Q270-T278 PolarHBondContact N-O 2.7Å; Q270-T278 PolarHBondContact O-N 3.38Å; Q270-N280 HydrophobicContact CG-CB 3.97Å; Q270-N280 PolarHBondContact OE1-ND2 3.01Å
271F85.5Confident90.2Very high61 Ų6147.9 Ų47.927%0.26828%0.279SS..  trans-120.477.1-176-64.6-89.9000110.4L269 I277 Y342 W345L269-F271 HydrophobicContact CB-CD2 4.4Å; L269-F271 HydrophobicContact CB-CE2 3.55Å; L269-F271 HydrophobicContact CB-CZ 3.88Å; L269-F271 HydrophobicContact CD1-CZ 4.21Å; L269-F271 WeakPolarHBondContact O-CD2 3.31Å; L269-F271 WeakPolarHBondContact O-CE2 3.17Å; F271-I277 HydrophobicContact CD1-CD1 3.93Å; F271-I277 HydrophobicContact CD1-CG1 3.81Å; F271-I277 HydrophobicContact CD1-CG2 4.3Å; F271-I277 HydrophobicContact CE1-CD1 3.79Å; F271-I277 HydrophobicContact CE1-CG1 4.04Å; F271-I277 HydrophobicContact CE1-CG2 4.05Å; F271-I277 HydrophobicContact CZ-CG2 4.4Å; F271-Y342 HydrophobicContact CZ-CD2 4.16Å; F271-W345 HydrophobicContact CD1-CB 4.05Å; F271-W345 AromaticContact CD1-CD1 3.56Å; F271-W345 HydrophobicContact CD1-CD2 4.43Å; F271-W345 AromaticContact CD1-CG 3.76Å; F271-W345 HydrophobicContact CD1-CG 3.76Å; F271-W345 HydrophobicContact CE1-CB 3.95Å; F271-W345 AromaticContact CE1-CD1 3.85Å; F271-W345 AromaticContact CE1-CD2 3.94Å; F271-W345 HydrophobicContact CE1-CD2 3.94Å; F271-W345 AromaticContact CE1-CG 3.64Å; F271-W345 HydrophobicContact CE1-CG 3.64Å
272E82.8Confident90.1Very high121 Ų12155.5 Ų55.557%0.56532%0.315SS*.  trans-90.8142.5-179-60.3-155.1-160.700112.6G274 E275E272-G274 PolarHBondContact O-N 2.85Å; E272-E275 HydrophobicContact CB-CB 4.29Å; E272-E275 HydrophobicContact CB-CG 4.48Å; E272-E275 PolarHBondContact O-N 3.32Å
273A76.7Confident89.9Confident116 Ų11659 Ų5996%0.95934%0.336SS*.THydrogen-bonded Turntrans-80.581.2-161.600000113.3
274G76.4Confident90Very high77 Ų7759.2 Ų59.279%0.79434%0.337SS*.THydrogen-bonded Turntrans126-7.4179.100000113.9E272E272-G274 PolarHBondContact O-N 2.85Å
275E87.1Confident90.1Very high144 Ų14460.2 Ų60.267%0.67334%0.341SS*.SBendtrans-97163175.3-58.4-129.9155.700110.2E272E272-E275 HydrophobicContact CB-CB 4.29Å; E272-E275 HydrophobicContact CB-CG 4.48Å; E272-E275 PolarHBondContact O-N 3.32Å
276P88.6Confident90Very high80 Ų8066.2 Ų66.252%0.51937%0.373SS..PPolyproline II helixtrans-63.4153.1166.828.9-35.9000111.2N317P276-N317 VanDerWaalsContact CA-OD1 3.27Å; P276-N317 WeakPolarHBondContact CA-OD1 3.22Å; P276-N317 WeakPolarHBondContact CB-OD1 3.49Å
277I90.8Very high90Very high14 Ų1467.4 Ų67.47%0.07238%0.379CS..PPolyproline II helixtrans-70.1132.6171-61.9158.9000108Q270 F271 L313 L316 N317 W345Q270-I277 WeakPolarHBondContact O-CA 3.34Å; F271-I277 HydrophobicContact CD1-CD1 3.93Å; F271-I277 HydrophobicContact CD1-CG1 3.81Å; F271-I277 HydrophobicContact CD1-CG2 4.3Å; F271-I277 HydrophobicContact CE1-CD1 3.79Å; F271-I277 HydrophobicContact CE1-CG1 4.04Å; F271-I277 HydrophobicContact CE1-CG2 4.05Å; F271-I277 HydrophobicContact CZ-CG2 4.4Å; I277-L313 HydrophobicContact CG2-CD2 4.04Å; I277-L316 HydrophobicContact CD1-CB 3.73Å; I277-L316 HydrophobicContact CG2-CD1 4.27Å; I277-N317 PolarHBondContact N-OD1 3.44Å; I277-N317 PolarHBondContact O-ND2 3.26Å; I277-W345 HydrophobicContact CD1-CZ2 3.69Å
278T94.3Very high89.9Confident62 Ų6273.8 Ų73.838%0.3840%0.399SS..EExtended strand (participates in β ladder)trans-126.6171.2-178.257.90000111.3L269 Q270L269-T278 WeakPolarHBondContact CA-O 3.34Å; Q270-T278 PolarHBondContact N-O 2.7Å; Q270-T278 PolarHBondContact O-N 3.38Å
279F95.8Very high89.9Confident35 Ų3575.9 Ų75.915%0.15441%0.413CS..EExtended strand (participates in β ladder)trans-116.5134.3177.8176.9-102000110.5A268 L269 E281 F284 F305 I309 L313A268-F279 HydrophobicContact CB-CD2 3.98Å; A268-F279 HydrophobicContact CB-CE2 3.69Å; A268-F279 HydrophobicContact CB-CZ 4.37Å; L269-F279 HydrophobicContact CD2-CD2 4.37Å; F279-E281 HydrophobicContact CD1-CG 4.2Å; F279-E281 HydrophobicContact CE1-CG 4.04Å; F279-F284 HydrophobicContact CE1-CB 4.31Å; F279-F284 HydrophobicContact CE1-CD1 4.43Å; F279-F284 HydrophobicContact CE1-CG 4.41Å; F279-F284 HydrophobicContact CE2-CB 4.18Å; F279-F284 HydrophobicContact CE2-CD2 4.18Å; F279-F284 HydrophobicContact CE2-CG 4.18Å; F279-F284 HydrophobicContact CZ-CB 3.62Å; F279-F284 AromaticContact CZ-CD1 3.79Å; F279-F284 HydrophobicContact CZ-CD1 3.79Å; F279-F284 AromaticContact CZ-CD2 3.88Å; F279-F284 HydrophobicContact CZ-CD2 3.88Å; F279-F284 HydrophobicContact CZ-CE1 4.36Å; F279-F284 HydrophobicContact CZ-CE2 4.44Å; F279-F284 AromaticContact CZ-CG 3.5Å; F279-F284 HydrophobicContact CZ-CG 3.5Å; F279-F305 HydrophobicContact CE1-CE1 4.22Å; F279-F305 HydrophobicContact CE2-CZ 4.49Å; F279-F305 AromaticContact CZ-CE1 3.97Å; F279-F305 HydrophobicContact CZ-CE1 3.97Å; F279-F305 AromaticContact CZ-CZ 3.85Å; F279-F305 HydrophobicContact CZ-CZ 3.85Å; F279-I309 HydrophobicContact CB-CG2 3.74Å; F279-I309 HydrophobicContact CD1-CG2 3.96Å; F279-I309 HydrophobicContact CD2-CD1 4.05Å; F279-I309 HydrophobicContact CD2-CG2 4.1Å; F279-I309 HydrophobicContact CE2-CD1 3.82Å; F279-I309 HydrophobicContact CE2-CG1 4.43Å; F279-I309 HydrophobicContact CG-CG2 3.68Å; F279-I309 HydrophobicContact CZ-CD1 4.19Å; F279-I309 HydrophobicContact CZ-CG1 4.38Å; F279-L313 HydrophobicContact CB-CD1 4.04Å; F279-L313 HydrophobicContact CB-CD2 4.48Å
280N95.3Very high89.8Confident34 Ų3479.4 Ų79.418%0.18244%0.439CS..  trans-108.4100.4-175.4-168.8-81.2000111.7A268 Q270 E282 T283 F284A268-N280 WeakPolarHBondContact CB-O 3.45Å; A268-N280 WeakPolarHBondContact O-CB 3.34Å; A268-N280 PolarHBondContact O-N 2.77Å; Q270-N280 HydrophobicContact CG-CB 3.97Å; Q270-N280 PolarHBondContact OE1-ND2 3.01Å; N280-E282 VanDerWaalsContact C-N 3.33Å; N280-E282 PolarHBondContact O-N 3.35Å; N280-T283 PolarHBondContact O-N 2.91Å; N280-T283 VanDerWaalsContact OD1-CB 3.26Å; N280-T283 WeakPolarHBondContact OD1-CB 3.18Å; N280-T283 PolarHBondContact OD1-N 3.36Å; N280-T283 PolarHBondContact OD1-OG1 2.93Å; N280-F284 PolarHBondContact O-N 3.42Å
281E96.2Very high89.9Confident103 Ų10377.9 Ų77.948%0.48144%0.437SS..Hα-helixtrans-58.2-39.9-177-66.5177.8-159.600113.1F279 T283 F284 I285 I300F279-E281 HydrophobicContact CD1-CG 4.2Å; F279-E281 HydrophobicContact CE1-CG 4.04Å; E281-T283 PolarHBondContact O-N 3.46Å; E281-F284 PolarHBondContact O-N 3.28Å; E281-I285 WeakPolarHBondContact O-CB 3.45Å; E281-I285 VanDerWaalsContact O-CG1 3.27Å; E281-I285 WeakPolarHBondContact O-CG1 3.11Å; E281-I285 PolarHBondContact O-N 2.59Å; E281-I300 HydrophobicContact CB-CG2 4.35Å; E281-I300 HydrophobicContact CG-CG2 4.13Å; E281-I300 WeakPolarHBondContact OE2-CD1 3.43Å
282E94.2Very high90.3Very high160 Ų16075.4 Ų75.475%0.74843%0.427SS*.Hα-helixtrans-61.6-43.8178.6-59.4-173.2165.900111.8N280 N286N280-E282 VanDerWaalsContact C-N 3.33Å; N280-E282 PolarHBondContact O-N 3.35Å; E282-N286 VanDerWaalsContact O-CB 3.31Å; E282-N286 WeakPolarHBondContact O-CB 3.25Å; E282-N286 PolarHBondContact O-N 3.28Å; E282-N286 VanDerWaalsContact O-N 3.1Å
283T93.1Very high90.9Very high74 Ų7474.7 Ų74.745%0.45442%0.419SS..Hα-helixtrans-67.5-37177.2-59.20000111.5A268 N280 E281A268-T283 HydrophobicContact CB-CG2 4.29Å; N280-T283 PolarHBondContact O-N 2.91Å; N280-T283 VanDerWaalsContact OD1-CB 3.26Å; N280-T283 WeakPolarHBondContact OD1-CB 3.18Å; N280-T283 PolarHBondContact OD1-N 3.36Å; N280-T283 PolarHBondContact OD1-OG1 2.93Å; E281-T283 PolarHBondContact O-N 3.46Å
284F94.7Very high91.7Very high4 Ų475.2 Ų75.22%0.01840%0.401CS..Hα-helixtrans-65.6-45.8176179.4-117.2000112.2F262 S264 A268 F279 N280 E281 N286 L296 A299 I300 F305F262-F284 HydrophobicContact CD1-CZ 4.36Å; S264-F284 VanDerWaalsContact OG-CE2 3.31Å; S264-F284 WeakPolarHBondContact OG-CE2 3.34Å; A268-F284 HydrophobicContact CB-CB 3.73Å; F279-F284 HydrophobicContact CE1-CB 4.31Å; F279-F284 HydrophobicContact CE1-CD1 4.43Å; F279-F284 HydrophobicContact CE1-CG 4.41Å; F279-F284 HydrophobicContact CE2-CB 4.18Å; F279-F284 HydrophobicContact CE2-CD2 4.18Å; F279-F284 HydrophobicContact CE2-CG 4.18Å; F279-F284 HydrophobicContact CZ-CB 3.62Å; F279-F284 AromaticContact CZ-CD1 3.79Å; F279-F284 HydrophobicContact CZ-CD1 3.79Å; F279-F284 AromaticContact CZ-CD2 3.88Å; F279-F284 HydrophobicContact CZ-CD2 3.88Å; F279-F284 HydrophobicContact CZ-CE1 4.36Å; F279-F284 HydrophobicContact CZ-CE2 4.44Å; F279-F284 AromaticContact CZ-CG 3.5Å; F279-F284 HydrophobicContact CZ-CG 3.5Å; N280-F284 PolarHBondContact O-N 3.42Å; E281-F284 PolarHBondContact O-N 3.28Å; F284-N286 VanDerWaalsContact C-N 3.3Å; F284-N286 PolarHBondContact O-N 2.97Å; F284-L296 HydrophobicContact CD1-CD2 4.34Å; F284-L296 HydrophobicContact CD2-CD2 4.44Å; F284-L296 HydrophobicContact CE1-CB 4.31Å; F284-L296 HydrophobicContact CE1-CD2 3.64Å; F284-L296 HydrophobicContact CE2-CD2 3.76Å; F284-L296 HydrophobicContact CZ-CD2 3.31Å; F284-A299 HydrophobicContact CE1-CB 4.23Å; F284-I300 HydrophobicContact CD1-CG2 3.78Å; F284-I300 HydrophobicContact CE1-CG2 4.1Å; F284-F305 HydrophobicContact CD1-CE1 4.17Å; F284-F305 HydrophobicContact CD1-CZ 4.26Å; F284-F305 HydrophobicContact CE1-CD1 4.45Å; F284-F305 AromaticContact CE1-CE1 3.48Å; F284-F305 HydrophobicContact CE1-CE1 3.48Å; F284-F305 VanDerWaalsContact CE1-CE1 3.48Å; F284-F305 HydrophobicContact CE1-CE2 4.45Å; F284-F305 AromaticContact CE1-CZ 3.48Å; F284-F305 HydrophobicContact CE1-CZ 3.48Å; F284-F305 VanDerWaalsContact CE1-CZ 3.48Å; F284-F305 HydrophobicContact CE2-CE2 4.49Å; F284-F305 AromaticContact CE2-CZ 3.85Å; F284-F305 HydrophobicContact CE2-CZ 3.85Å; F284-F305 AromaticContact CZ-CE1 3.76Å; F284-F305 HydrophobicContact CZ-CE1 3.76Å; F284-F305 AromaticContact CZ-CE2 3.88Å; F284-F305 HydrophobicContact CZ-CE2 3.88Å; F284-F305 AromaticContact CZ-CZ 3.22Å; F284-F305 HydrophobicContact CZ-CZ 3.22Å
285I94.6Very high92.7Very high33 Ų3371.6 Ų71.617%0.16936%0.364CS..Hα-helixtrans-68.9-28.3-179.5-66.2165.4000111.7E281 H287 R293 Q297 I300E281-I285 WeakPolarHBondContact O-CB 3.45Å; E281-I285 VanDerWaalsContact O-CG1 3.27Å; E281-I285 WeakPolarHBondContact O-CG1 3.11Å; E281-I285 PolarHBondContact O-N 2.59Å; I285-H287 PolarHBondContact O-N 2.82Å; I285-R293 HydrophobicContact CG2-CG 4Å; I285-R293 WeakPolarHBondContact O-CG 3.28Å; I285-Q297 HydrophobicContact CG2-CB 4.22Å; I285-I300 HydrophobicContact CD1-CD1 3.79Å; I285-I300 HydrophobicContact CD1-CG1 4.16Å; I285-I300 HydrophobicContact CD1-CG2 4.33Å; I285-I300 HydrophobicContact CG1-CG2 4.38Å
286N91.6Very high93.1Very high126 Ų12664.8 Ų64.867%0.67433%0.332SS*.  trans-71.368.2-174.9-171.215.9000114.4E282 F284E282-N286 VanDerWaalsContact O-CB 3.31Å; E282-N286 WeakPolarHBondContact O-CB 3.25Å; E282-N286 PolarHBondContact O-N 3.28Å; E282-N286 VanDerWaalsContact O-N 3.1Å; F284-N286 VanDerWaalsContact C-N 3.3Å; F284-N286 PolarHBondContact O-N 2.97Å
287H90.4Very high93.5Very high32 Ų3266.3 Ų66.315%0.14833%0.332CS..  trans-102.2152.2178.2-174.1-104.6000113.2I285 S289 M292 R293 L296I285-H287 PolarHBondContact O-N 2.82Å; H287-S289 PolarHBondContact ND1-N 3.36Å; H287-S289 VanDerWaalsContact ND1-N 3.14Å; H287-M292 HydrophobicContact CB-CG 4.4Å; H287-M292 VanDerWaalsContact ND1-CB 3.34Å; H287-M292 WeakPolarHBondContact ND1-CB 3.14Å; H287-M292 VanDerWaalsContact ND1-CG 3.33Å; H287-M292 WeakPolarHBondContact ND1-CG 3.46Å; H287-R293 PolarHBondContact O-NE 2.77Å; H287-R293 PolarHBondContact O-NH2 2.9Å; H287-L296 HydrophobicContact CB-CD1 3.74Å
288R87.6Confident93.7Very high195 Ų19568.9 Ų68.974%0.73635%0.346SS*.SBendtrans-63.4-37.7-178.256.8178.6175.1168.22.5114.6E334R288-E334 IonicContact CZ-OE2 3.96Å; R288-E334 IonicContact NH2-OE2 3.36Å; R288-E334 PolarHBondContact NH2-OE2 3.12Å
289S90.6Very high93.7Very high47 Ų4766 Ų6633%0.32933%0.328SS..SBendtrans-87.7131.6178.2170.70000110.5H287 M292 R293H287-S289 PolarHBondContact ND1-N 3.36Å; H287-S289 VanDerWaalsContact ND1-N 3.14Å; S289-M292 PolarHBondContact O-N 2.91Å; S289-R293 WeakPolarHBondContact O-CB 3.37Å; S289-R293 PolarHBondContact O-N 3.39Å
290S90.7Very high93.7Very high84 Ų8465.8 Ų65.859%0.58733%0.329SS*.Hα-helixtrans-65.2-42.9179.848.30000113.2M292 R293 Q294S290-M292 PolarHBondContact O-N 3.14Å; S290-R293 WeakPolarHBondContact O-CB 3.45Å; S290-R293 PolarHBondContact O-N 3.16Å; S290-Q294 WeakPolarHBondContact O-CG 3.27Å; S290-Q294 PolarHBondContact O-N 2.99Å
291A90.9Very high93.8Very high33 Ų3371.2 Ų71.227%0.27335%0.353SS..Hα-helixtrans-62.6-43.6177.300000111.4Q294 F295A291-Q294 PolarHBondContact O-N 3.18Å; A291-F295 PolarHBondContact O-N 2.75Å
292M94.4Very high93.8Very high10 Ų1066.8 Ų66.85%0.04933%0.333CS..Hα-helixtrans-66.7-37.2174.3-177.668.688.400111.7P228 L261 H287 S289 S290 Q294 F295 L296P228-M292 HydrophobicContact CB-CE 4.32Å; P228-M292 HydrophobicContact CG-CB 4.25Å; P228-M292 HydrophobicContact CG-CE 3.8Å; P228-M292 HydrophobicContact CG-SD 3.8Å; L261-M292 HydrophobicContact CD2-CE 4.3Å; L261-M292 HydrophobicContact CD2-SD 4.4Å; H287-M292 HydrophobicContact CB-CG 4.4Å; H287-M292 VanDerWaalsContact ND1-CB 3.34Å; H287-M292 WeakPolarHBondContact ND1-CB 3.14Å; H287-M292 VanDerWaalsContact ND1-CG 3.33Å; H287-M292 WeakPolarHBondContact ND1-CG 3.46Å; S289-M292 PolarHBondContact O-N 2.91Å; S290-M292 PolarHBondContact O-N 3.14Å; M292-Q294 VanDerWaalsContact C-N 3.35Å; M292-Q294 PolarHBondContact O-N 3.46Å; M292-F295 PolarHBondContact O-N 3.49Å; M292-F295 HydrophobicContact SD-CD1 3.88Å; M292-L296 HydrophobicContact CG-CD1 3.7Å; M292-L296 HydrophobicContact CG-CG 4.15Å; M292-L296 WeakPolarHBondContact O-CB 3.46Å; M292-L296 WeakPolarHBondContact O-CD1 3.36Å; M292-L296 WeakPolarHBondContact O-CG 3.32Å; M292-L296 PolarHBondContact O-N 2.99Å; M292-L296 HydrophobicContact SD-CD1 4.31Å; M292-L296 HydrophobicContact SD-CG 4.21Å
293R94.8Very high94Very high106 Ų10662.3 Ų62.340%0.431%0.312SS..Hα-helixtrans-60.5-42.8173.6-178.1-178.4-51.6160.96.1112.1I285 H287 S289 S290 L296 Q297I285-R293 HydrophobicContact CG2-CG 4Å; I285-R293 WeakPolarHBondContact O-CG 3.28Å; H287-R293 PolarHBondContact O-NE 2.77Å; H287-R293 PolarHBondContact O-NH2 2.9Å; S289-R293 WeakPolarHBondContact O-CB 3.37Å; S289-R293 PolarHBondContact O-N 3.39Å; S290-R293 WeakPolarHBondContact O-CB 3.45Å; S290-R293 PolarHBondContact O-N 3.16Å; R293-L296 PolarHBondContact O-N 2.8Å; R293-Q297 WeakPolarHBondContact O-CB 3.39Å; R293-Q297 PolarHBondContact O-N 2.84Å
294Q94.4Very high94.2Very high126 Ų12658.9 Ų58.959%0.58929%0.29SS*.Hα-helixtrans-64.2-43.7174.9-71.8172.7-45.200111.3S290 A291 M292 Q297 N298S290-Q294 WeakPolarHBondContact O-CG 3.27Å; S290-Q294 PolarHBondContact O-N 2.99Å; A291-Q294 PolarHBondContact O-N 3.18Å; M292-Q294 VanDerWaalsContact C-N 3.35Å; M292-Q294 PolarHBondContact O-N 3.46Å; Q294-Q297 PolarHBondContact O-N 3.21Å; Q294-N298 VanDerWaalsContact O-CG 3.3Å; Q294-N298 PolarHBondContact O-N 3.37Å; Q294-N298 VanDerWaalsContact O-N 3.14Å; Q294-N298 PolarHBondContact O-ND2 2.9Å
295F96.4Very high94.4Very high2 Ų258.9 Ų58.91%0.00929%0.29CS..Hα-helixtrans-58.7-48.8173.1173-98.2000112.2L134 L227 L261 F262 A291 M292 Q297 N298 A299L134-F295 HydrophobicContact CB-CE2 4.47Å; L134-F295 HydrophobicContact CD1-CE2 4.36Å; L134-F295 HydrophobicContact CD1-CZ 4.46Å; L227-F295 HydrophobicContact CD2-CD2 3.53Å; L227-F295 HydrophobicContact CD2-CE2 3.49Å; L227-F295 VanDerWaalsContact CD2-CE2 3.49Å; L261-F295 HydrophobicContact CB-CE1 3.77Å; L261-F295 HydrophobicContact CB-CZ 4.08Å; L261-F295 HydrophobicContact CD1-CZ 4.2Å; L261-F295 HydrophobicContact CD2-CD1 4.06Å; L261-F295 HydrophobicContact CD2-CE1 3.79Å; L261-F295 HydrophobicContact CD2-CE2 4.44Å; L261-F295 HydrophobicContact CD2-CZ 3.98Å; L261-F295 HydrophobicContact CG-CE1 4.24Å; L261-F295 HydrophobicContact CG-CZ 4.3Å; F262-F295 HydrophobicContact CE1-CE1 4.26Å; F262-F295 HydrophobicContact CE1-CZ 4.17Å; F262-F295 HydrophobicContact CE2-CE1 4.36Å; F262-F295 AromaticContact CE2-CZ 3.91Å; F262-F295 HydrophobicContact CE2-CZ 3.91Å; F262-F295 HydrophobicContact CZ-CE1 4.1Å; F262-F295 AromaticContact CZ-CZ 3.61Å; F262-F295 HydrophobicContact CZ-CZ 3.61Å; A291-F295 PolarHBondContact O-N 2.75Å; M292-F295 PolarHBondContact O-N 3.49Å; M292-F295 HydrophobicContact SD-CD1 3.88Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; F295-Q297 PolarHBondContact O-N 2.92Å; F295-N298 CarbonylContact O-C 3.6Å; F295-N298 WeakPolarHBondContact O-CB 3.43Å; F295-N298 PolarHBondContact O-N 3.25Å; F295-N298 VanDerWaalsContact O-N 3.11Å; F295-A299 WeakPolarHBondContact O-CB 3.28Å; F295-A299 PolarHBondContact O-N 3.38Å
296L96.2Very high94.5Very high0 Ų062 Ų620%030%0.303CS..Hα-helixtrans-66.5-32.2-179.3-66.6166000112.7F284 H287 M292 R293 N298 A299 I300F284-L296 HydrophobicContact CD1-CD2 4.34Å; F284-L296 HydrophobicContact CD2-CD2 4.44Å; F284-L296 HydrophobicContact CE1-CB 4.31Å; F284-L296 HydrophobicContact CE1-CD2 3.64Å; F284-L296 HydrophobicContact CE2-CD2 3.76Å; F284-L296 HydrophobicContact CZ-CD2 3.31Å; H287-L296 HydrophobicContact CB-CD1 3.74Å; M292-L296 HydrophobicContact CG-CD1 3.7Å; M292-L296 HydrophobicContact CG-CG 4.15Å; M292-L296 WeakPolarHBondContact O-CB 3.46Å; M292-L296 WeakPolarHBondContact O-CD1 3.36Å; M292-L296 WeakPolarHBondContact O-CG 3.32Å; M292-L296 PolarHBondContact O-N 2.99Å; M292-L296 HydrophobicContact SD-CD1 4.31Å; M292-L296 HydrophobicContact SD-CG 4.21Å; R293-L296 PolarHBondContact O-N 2.8Å; L296-N298 VanDerWaalsContact C-N 3.34Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.4Å; L296-I300 PolarHBondContact O-N 2.99Å
297Q96Very high94.8Very high113 Ų11357.1 Ų57.153%0.52828%0.276SS..Hα-helixtrans-67.5-32.9172.4-175.41760.700112.4I285 R293 Q294 F295 I300I285-Q297 HydrophobicContact CG2-CB 4.22Å; R293-Q297 WeakPolarHBondContact O-CB 3.39Å; R293-Q297 PolarHBondContact O-N 2.84Å; Q294-Q297 PolarHBondContact O-N 3.21Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; F295-Q297 PolarHBondContact O-N 2.92Å; Q297-I300 VanDerWaalsContact O-CG1 3.24Å; Q297-I300 WeakPolarHBondContact O-CG1 3.23Å
298N95.1Very high95.2Very high68 Ų6856.4 Ų56.436%0.36427%0.273SS..Hα-helixtrans-75.5-37.5170.2-59.4-30.6000111Y135 Q294 F295 L296 I300 Q301Y135-N298 HydrophobicContact CE1-CB 4.41Å; Y135-N298 WeakPolarHBondContact CE1-ND2 3.18Å; Q294-N298 VanDerWaalsContact O-CG 3.3Å; Q294-N298 PolarHBondContact O-N 3.37Å; Q294-N298 VanDerWaalsContact O-N 3.14Å; Q294-N298 PolarHBondContact O-ND2 2.9Å; F295-N298 CarbonylContact O-C 3.6Å; F295-N298 WeakPolarHBondContact O-CB 3.43Å; F295-N298 PolarHBondContact O-N 3.25Å; F295-N298 VanDerWaalsContact O-N 3.11Å; L296-N298 VanDerWaalsContact C-N 3.34Å; N298-I300 VanDerWaalsContact C-N 3.31Å; N298-I300 PolarHBondContact O-N 3.09Å; N298-Q301 WeakPolarHBondContact O-CB 3.37Å; N298-Q301 PolarHBondContact O-N 3.21Å
299A95.6Very high95.6Very high1 Ų147.5 Ų47.51%0.00824%0.239CC..Hα-helixtrans-57.1-38.8-176.100000113.6F262 F284 F295 L296 Q301 L302 F305F262-A299 HydrophobicContact CE1-CB 3.89Å; F284-A299 HydrophobicContact CE1-CB 4.23Å; F295-A299 WeakPolarHBondContact O-CB 3.28Å; F295-A299 PolarHBondContact O-N 3.38Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.4Å; A299-Q301 PolarHBondContact O-N 3.23Å; A299-L302 HydrophobicContact CB-CD1 4.46Å; A299-L302 WeakPolarHBondContact O-CB 3.39Å; A299-L302 WeakPolarHBondContact O-CG 3.49Å; A299-L302 PolarHBondContact O-N 3.44Å; A299-L302 VanDerWaalsContact O-N 3.11Å; A299-F305 WeakPolarHBondContact O-CB 3.5Å; A299-F305 VanDerWaalsContact O-CD1 3.29Å; A299-F305 WeakPolarHBondContact O-CD1 3.4Å
300I95.8Very high95.9Very high30 Ų3048 Ų4815%0.15424%0.239CC..THydrogen-bonded Turntrans-64.3-17.4176.758.6149.1000113.9E281 F284 I285 L296 Q297 N298 F305E281-I300 HydrophobicContact CB-CG2 4.35Å; E281-I300 HydrophobicContact CG-CG2 4.13Å; E281-I300 WeakPolarHBondContact OE2-CD1 3.43Å; F284-I300 HydrophobicContact CD1-CG2 3.78Å; F284-I300 HydrophobicContact CE1-CG2 4.1Å; I285-I300 HydrophobicContact CD1-CD1 3.79Å; I285-I300 HydrophobicContact CD1-CG1 4.16Å; I285-I300 HydrophobicContact CD1-CG2 4.33Å; I285-I300 HydrophobicContact CG1-CG2 4.38Å; L296-I300 PolarHBondContact O-N 2.99Å; Q297-I300 VanDerWaalsContact O-CG1 3.24Å; Q297-I300 WeakPolarHBondContact O-CG1 3.23Å; N298-I300 VanDerWaalsContact C-N 3.31Å; N298-I300 PolarHBondContact O-N 3.09Å; I300-F305 HydrophobicContact CG2-CE1 4.41Å
301Q96.1Very high96.1Very high148 Ų14845.7 Ų45.769%0.69223%0.227SC*.THydrogen-bonded Turntrans-88.9-10.4176.7-54.5-59.2-59.500113N298 A299N298-Q301 WeakPolarHBondContact O-CB 3.37Å; N298-Q301 PolarHBondContact O-N 3.21Å; A299-Q301 PolarHBondContact O-N 3.23Å
302L97.6Very high96.3Very high11 Ų1145.1 Ų45.16%0.05822%0.218CC..  trans-80.5128.5-176.3-50.4173.9000110.8L134 E136 A299 L304 F305 K306L134-L302 WeakPolarHBondContact O-CD1 3.29Å; L134-L302 WeakPolarHBondContact O-CD2 3.45Å; E136-L302 HydrophobicContact CB-CD2 4.34Å; E136-L302 HydrophobicContact CG-CB 4.46Å; E136-L302 HydrophobicContact CG-CD2 4.04Å; A299-L302 HydrophobicContact CB-CD1 4.46Å; A299-L302 WeakPolarHBondContact O-CB 3.39Å; A299-L302 WeakPolarHBondContact O-CG 3.49Å; A299-L302 PolarHBondContact O-N 3.44Å; A299-L302 VanDerWaalsContact O-N 3.11Å; L302-L304 VanDerWaalsContact C-N 3.29Å; L302-L304 HydrophobicContact CB-CG 4.19Å; L302-L304 HydrophobicContact CD1-CD1 4.44Å; L302-L304 PolarHBondContact O-N 3.1Å; L302-F305 HydrophobicContact CB-CB 4.1Å; L302-F305 PolarHBondContact O-N 3.34Å; L302-F305 VanDerWaalsContact O-N 3.16Å; L302-K306 PolarHBondContact O-N 3.37Å
303Q97.9Very high96.3Very high66 Ų6645.8 Ų45.831%0.30822%0.222SC..Hα-helixtrans-64.7-34.4178-173.561.815.500111.8E136 Q166 H167 F305 K306 Q307E136-Q303 VanDerWaalsContact CD-N 3.31Å; E136-Q303 PolarHBondContact OE1-N 3.22Å; E136-Q303 PolarHBondContact OE2-N 2.86Å; Q166-Q303 HydrophobicContact CB-CB 4.18Å; Q166-Q303 HydrophobicContact CB-CG 3.63Å; Q166-Q303 HydrophobicContact CG-CG 4.06Å; H167-Q303 WeakPolarHBondContact NE2-CB 3.47Å; Q303-F305 VanDerWaalsContact C-N 3.33Å; Q303-F305 PolarHBondContact O-N 3.11Å; Q303-K306 PolarHBondContact O-N 3.19Å; Q303-Q307 WeakPolarHBondContact O-CB 3.46Å; Q303-Q307 WeakPolarHBondContact O-CG 3.46Å; Q303-Q307 PolarHBondContact O-N 3.16Å
304L97.2Very high96.2Very high1 Ų145.9 Ų45.91%0.00523%0.23CC..Hα-helixtrans-64.3-32.7174.566.887.4000113.5E136 L160 M163 Y164 W165 Q166 L302 F308E136-L304 HydrophobicContact CG-CD2 3.78Å; E136-L304 HydrophobicContact CG-CG 4.41Å; E136-L304 WeakPolarHBondContact OE1-CB 3.17Å; E136-L304 WeakPolarHBondContact OE1-CD2 3.34Å; E136-L304 VanDerWaalsContact OE1-CG 3.27Å; E136-L304 WeakPolarHBondContact OE1-CG 3.04Å; E136-L304 PolarHBondContact OE1-N 2.91Å; L160-L304 HydrophobicContact CD1-CD2 4.48Å; M163-L304 HydrophobicContact CB-CD1 3.97Å; M163-L304 HydrophobicContact CG-CD1 4.36Å; M163-L304 HydrophobicContact SD-CD1 3.59Å; M163-L304 VanDerWaalsContact SD-CD1 3.59Å; Y164-L304 WeakPolarHBondContact O-CB 3.19Å; W165-L304 HydrophobicContact CE3-CD2 4.4Å; Q166-L304 HydrophobicContact CG-CB 4.19Å; L302-L304 VanDerWaalsContact C-N 3.29Å; L302-L304 HydrophobicContact CB-CG 4.19Å; L302-L304 HydrophobicContact CD1-CD1 4.44Å; L302-L304 PolarHBondContact O-N 3.1Å; L304-F308 PolarHBondContact O-N 2.78Å
305F98.3Very high96Very high4 Ų442.6 Ų42.62%0.01822%0.216CC..Hα-helixtrans-79.5-42.6175.7179.9-115.8000110.7M163 F262 F279 F284 A299 I300 L302 Q303 Q307 F308 I309M163-F305 HydrophobicContact CE-CD2 3.7Å; M163-F305 HydrophobicContact CE-CE2 4.23Å; M163-F305 HydrophobicContact SD-CB 4.5Å; M163-F305 HydrophobicContact SD-CD2 4.18Å; F262-F305 AromaticContact CD1-CD2 3.49Å; F262-F305 HydrophobicContact CD1-CD2 3.49Å; F262-F305 VanDerWaalsContact CD1-CD2 3.49Å; F262-F305 AromaticContact CD1-CE2 3.59Å; F262-F305 HydrophobicContact CD1-CE2 3.59Å; F262-F305 HydrophobicContact CD1-CG 4.29Å; F262-F305 HydrophobicContact CD1-CZ 4.45Å; F262-F305 HydrophobicContact CE1-CB 4.35Å; F262-F305 AromaticContact CE1-CD2 3.67Å; F262-F305 HydrophobicContact CE1-CD2 3.67Å; F262-F305 HydrophobicContact CE1-CE2 4.2Å; F262-F305 HydrophobicContact CE1-CG 4.07Å; F262-F305 HydrophobicContact CG-CD2 4.48Å; F262-F305 HydrophobicContact CG-CE2 4.48Å; F279-F305 HydrophobicContact CE1-CE1 4.22Å; F279-F305 HydrophobicContact CE2-CZ 4.49Å; F279-F305 AromaticContact CZ-CE1 3.97Å; F279-F305 HydrophobicContact CZ-CE1 3.97Å; F279-F305 AromaticContact CZ-CZ 3.85Å; F279-F305 HydrophobicContact CZ-CZ 3.85Å; F284-F305 HydrophobicContact CD1-CE1 4.17Å; F284-F305 HydrophobicContact CD1-CZ 4.26Å; F284-F305 HydrophobicContact CE1-CD1 4.45Å; F284-F305 AromaticContact CE1-CE1 3.48Å; F284-F305 HydrophobicContact CE1-CE1 3.48Å; F284-F305 VanDerWaalsContact CE1-CE1 3.48Å; F284-F305 HydrophobicContact CE1-CE2 4.45Å; F284-F305 AromaticContact CE1-CZ 3.48Å; F284-F305 HydrophobicContact CE1-CZ 3.48Å; F284-F305 VanDerWaalsContact CE1-CZ 3.48Å; F284-F305 HydrophobicContact CE2-CE2 4.49Å; F284-F305 AromaticContact CE2-CZ 3.85Å; F284-F305 HydrophobicContact CE2-CZ 3.85Å; F284-F305 AromaticContact CZ-CE1 3.76Å; F284-F305 HydrophobicContact CZ-CE1 3.76Å; F284-F305 AromaticContact CZ-CE2 3.88Å; F284-F305 HydrophobicContact CZ-CE2 3.88Å; F284-F305 AromaticContact CZ-CZ 3.22Å; F284-F305 HydrophobicContact CZ-CZ 3.22Å; A299-F305 WeakPolarHBondContact O-CB 3.5Å; A299-F305 VanDerWaalsContact O-CD1 3.29Å; A299-F305 WeakPolarHBondContact O-CD1 3.4Å; I300-F305 HydrophobicContact CG2-CE1 4.41Å; L302-F305 HydrophobicContact CB-CB 4.1Å; L302-F305 PolarHBondContact O-N 3.34Å; L302-F305 VanDerWaalsContact O-N 3.16Å; Q303-F305 VanDerWaalsContact C-N 3.33Å; Q303-F305 PolarHBondContact O-N 3.11Å; F305-Q307 PolarHBondContact O-N 2.92Å; F305-F308 HydrophobicContact CD2-CD1 4.31Å; F305-F308 HydrophobicContact CE2-CD1 4.26Å; F305-F308 WeakPolarHBondContact O-CB 3.44Å; F305-F308 PolarHBondContact O-N 2.94Å; F305-I309 HydrophobicContact CD1-CG1 4.29Å; F305-I309 HydrophobicContact CD2-CG1 4.22Å; F305-I309 HydrophobicContact CE1-CD1 4.4Å; F305-I309 HydrophobicContact CE1-CG1 3.8Å; F305-I309 HydrophobicContact CE2-CD1 3.78Å; F305-I309 HydrophobicContact CE2-CG1 3.73Å; F305-I309 HydrophobicContact CG-CG1 4.49Å; F305-I309 HydrophobicContact CZ-CD1 3.63Å; F305-I309 HydrophobicContact CZ-CG1 3.5Å; F305-I309 VanDerWaalsContact CZ-CG1 3.5Å; F305-I309 WeakPolarHBondContact O-CG1 3.43Å; F305-I309 PolarHBondContact O-N 3.37Å
306K97.6Very high95.7Very high99 Ų9942.5 Ų42.543%0.4322%0.216SC..Hα-helixtrans-56.2-50.2175.9-179.9166.8-176.2168.40112.4L302 Q303 F308 I309 D310L302-K306 PolarHBondContact O-N 3.37Å; Q303-K306 PolarHBondContact O-N 3.19Å; K306-F308 VanDerWaalsContact C-N 3.29Å; K306-F308 PolarHBondContact O-N 3.16Å; K306-I309 PolarHBondContact O-N 2.97Å; K306-I309 VanDerWaalsContact O-N 3.16Å; K306-D310 WeakPolarHBondContact CG-OD2 3.35Å; K306-D310 WeakPolarHBondContact O-CB 3.44Å; K306-D310 VanDerWaalsContact O-CG 3.28Å; K306-D310 PolarHBondContact O-N 3.28Å
307Q97.4Very high95.4Very high23 Ų2345.5 Ų45.511%0.10723%0.232CC..Hα-helixtrans-64.6-32.3178.7-72.1-73.2-84.500113Q166 Q303 F305 G311 R516Q166-Q307 HydrophobicContact CG-CB 4.26Å; Q166-Q307 HydrophobicContact CG-CG 4.07Å; Q303-Q307 WeakPolarHBondContact O-CB 3.46Å; Q303-Q307 WeakPolarHBondContact O-CG 3.46Å; Q303-Q307 PolarHBondContact O-N 3.16Å; F305-Q307 PolarHBondContact O-N 2.92Å; Q307-G311 PolarHBondContact O-N 3.22Å; Q307-R516 PolarHBondContact OE1-O 3.06Å
308F97.8Very high95.1Very high18 Ų1842.2 Ų42.28%0.07922%0.224CC..Hα-helixtrans-64-49.2170.2167.9-96.5000111.7P162 M163 Y265 L304 F305 K306 G311 R312 F326P162-F308 HydrophobicContact CB-CD2 4.13Å; P162-F308 HydrophobicContact CB-CE2 3.89Å; P162-F308 HydrophobicContact CG-CD2 3.79Å; P162-F308 HydrophobicContact CG-CE2 3.41Å; P162-F308 VanDerWaalsContact CG-CE2 3.41Å; P162-F308 HydrophobicContact CG-CZ 4.16Å; M163-F308 HydrophobicContact CE-CD1 3.91Å; M163-F308 HydrophobicContact CE-CE1 4.3Å; M163-F308 HydrophobicContact CE-CG 4.15Å; M163-F308 HydrophobicContact CG-CB 3.94Å; M163-F308 HydrophobicContact CG-CD2 4.35Å; M163-F308 HydrophobicContact CG-CG 4.1Å; Y265-F308 HydrophobicContact CD1-CE1 4.11Å; Y265-F308 HydrophobicContact CD1-CZ 4.4Å; Y265-F308 HydrophobicContact CD2-CE1 4.15Å; Y265-F308 HydrophobicContact CE1-CE1 4.03Å; Y265-F308 AromaticContact CE1-CZ 3.88Å; Y265-F308 HydrophobicContact CE1-CZ 3.88Å; Y265-F308 HydrophobicContact CE2-CE1 4.07Å; Y265-F308 HydrophobicContact CE2-CZ 4.27Å; Y265-F308 HydrophobicContact CG-CE1 4.16Å; Y265-F308 AromaticContact CZ-CE1 3.99Å; Y265-F308 AromaticContact CZ-CZ 3.79Å; L304-F308 PolarHBondContact O-N 2.78Å; F305-F308 HydrophobicContact CD2-CD1 4.31Å; F305-F308 HydrophobicContact CE2-CD1 4.26Å; F305-F308 WeakPolarHBondContact O-CB 3.44Å; F305-F308 PolarHBondContact O-N 2.94Å; K306-F308 VanDerWaalsContact C-N 3.29Å; K306-F308 PolarHBondContact O-N 3.16Å; F308-G311 PolarHBondContact O-N 2.83Å; F308-R312 HydrophobicContact CD2-CG 4.33Å; F308-R312 HydrophobicContact CE1-CG 4.08Å; F308-R312 HydrophobicContact CE2-CG 3.86Å; F308-R312 HydrophobicContact CZ-CG 3.72Å; F308-R312 WeakPolarHBondContact O-CG 3.49Å; F308-R312 PolarHBondContact O-N 3.03Å; F308-F326 HydrophobicContact CE2-CD1 4.49Å; F308-F326 HydrophobicContact CE2-CE1 4.23Å; F308-F326 HydrophobicContact CZ-CD1 4.3Å; F308-F326 AromaticContact CZ-CE1 3.69Å; F308-F326 HydrophobicContact CZ-CE1 3.69Å; F308-F326 HydrophobicContact CZ-CZ 4.47Å
309I97.6Very high94.5Very high8 Ų840.1 Ų40.14%0.04122%0.219CC..Hα-helixtrans-63.6-49.7179-66.1-61.5000111.5Y265 F279 F305 K306 G311 R312 L313Y265-I309 HydrophobicContact CD2-CD1 3.55Å; Y265-I309 HydrophobicContact CE2-CD1 4.36Å; Y265-I309 HydrophobicContact CG-CD1 4.02Å; F279-I309 HydrophobicContact CB-CG2 3.74Å; F279-I309 HydrophobicContact CD1-CG2 3.96Å; F279-I309 HydrophobicContact CD2-CD1 4.05Å; F279-I309 HydrophobicContact CD2-CG2 4.1Å; F279-I309 HydrophobicContact CE2-CD1 3.82Å; F279-I309 HydrophobicContact CE2-CG1 4.43Å; F279-I309 HydrophobicContact CG-CG2 3.68Å; F279-I309 HydrophobicContact CZ-CD1 4.19Å; F279-I309 HydrophobicContact CZ-CG1 4.38Å; F305-I309 HydrophobicContact CD1-CG1 4.29Å; F305-I309 HydrophobicContact CD2-CG1 4.22Å; F305-I309 HydrophobicContact CE1-CD1 4.4Å; F305-I309 HydrophobicContact CE1-CG1 3.8Å; F305-I309 HydrophobicContact CE2-CD1 3.78Å; F305-I309 HydrophobicContact CE2-CG1 3.73Å; F305-I309 HydrophobicContact CG-CG1 4.49Å; F305-I309 HydrophobicContact CZ-CD1 3.63Å; F305-I309 HydrophobicContact CZ-CG1 3.5Å; F305-I309 VanDerWaalsContact CZ-CG1 3.5Å; F305-I309 WeakPolarHBondContact O-CG1 3.43Å; F305-I309 PolarHBondContact O-N 3.37Å; K306-I309 PolarHBondContact O-N 2.97Å; K306-I309 VanDerWaalsContact O-N 3.16Å; I309-G311 VanDerWaalsContact C-N 3.29Å; I309-G311 PolarHBondContact O-N 2.84Å; I309-R312 PolarHBondContact O-N 3.11Å; I309-R312 VanDerWaalsContact O-N 3.12Å; I309-L313 HydrophobicContact CG2-CD1 3.99Å; I309-L313 HydrophobicContact CG2-CG 4.25Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.01Å
310D96.6Very high93.7Very high58 Ų5847 Ų4731%0.3125%0.251SS..Hα-helixtrans-54.9-46.3177.3-69-25.3000110.6K306 L313 D314K306-D310 WeakPolarHBondContact CG-OD2 3.35Å; K306-D310 WeakPolarHBondContact O-CB 3.44Å; K306-D310 VanDerWaalsContact O-CG 3.28Å; K306-D310 PolarHBondContact O-N 3.28Å; D310-L313 PolarHBondContact O-N 2.98Å; D310-D314 PolarHBondContact O-N 3.33Å
311G95.5Very high92.9Very high34 Ų3446.1 Ų46.135%0.35125%0.249SC..Hα-helixtrans-64.9-38.2176.600000114.2Q307 F308 I309 L315Q307-G311 PolarHBondContact O-N 3.22Å; F308-G311 PolarHBondContact O-N 2.83Å; I309-G311 VanDerWaalsContact C-N 3.29Å; I309-G311 PolarHBondContact O-N 2.84Å; G311-L315 WeakPolarHBondContact O-CG 3.26Å; G311-L315 PolarHBondContact O-N 3.07Å
312R94.6Very high92.3Very high21 Ų2140.1 Ų40.18%0.07922%0.221CC..Hα-helixtrans-65.3-42.3172.3-70.8-44-150.1-157.9-1.4111.4Y265 F308 I309 L315 L316 F322 D324 E327Y265-R312 HydrophobicContact CE2-CB 4.43Å; Y265-R312 HydrophobicContact CE2-CG 4.11Å; Y265-R312 PolarHBondContact OH-NE 2.86Å; F308-R312 HydrophobicContact CD2-CG 4.33Å; F308-R312 HydrophobicContact CE1-CG 4.08Å; F308-R312 HydrophobicContact CE2-CG 3.86Å; F308-R312 HydrophobicContact CZ-CG 3.72Å; F308-R312 WeakPolarHBondContact O-CG 3.49Å; F308-R312 PolarHBondContact O-N 3.03Å; I309-R312 PolarHBondContact O-N 3.11Å; I309-R312 VanDerWaalsContact O-N 3.12Å; R312-L315 PolarHBondContact O-N 2.91Å; R312-L316 VanDerWaalsContact O-CG 3.27Å; R312-L316 WeakPolarHBondContact O-CG 3.11Å; R312-L316 PolarHBondContact O-N 3.03Å; R312-L316 VanDerWaalsContact O-N 3.13Å; R312-F322 HydrophobicContact CB-CE1 3.81Å; R312-F322 HydrophobicContact CB-CZ 4.25Å; R312-F322 HydrophobicContact CG-CE1 4.02Å; R312-F322 HydrophobicContact CG-CZ 4.18Å; R312-D324 IonicContact CZ-OD2 3.72Å; R312-D324 IonicContact NH1-OD2 2.8Å; R312-D324 PolarHBondContact NH1-OD2 2.94Å; R312-D324 IonicContact NH2-OD1 2.84Å; R312-D324 PolarHBondContact NH2-OD1 3.02Å; R312-D324 VanDerWaalsContact NH2-OD1 3.13Å; R312-D324 IonicContact NH2-OD2 3.44Å; R312-D324 PolarHBondContact NH2-OD2 2.96Å; R312-E327 IonicContact CZ-OE1 3.19Å; R312-E327 IonicContact NE-OE1 2.68Å; R312-E327 PolarHBondContact NE-OE1 3.08Å; R312-E327 IonicContact NH2-OE1 3.99Å; R312-E327 PolarHBondContact NH2-OE1 3.21Å
313L93.8Very high91.6Very high25 Ų2544.3 Ų44.313%0.13124%0.243CC..Hα-helixtrans-64.6-41.6178.5-68.1178.1000111.8L269 I277 F279 I309 D310 L316 N317L269-L313 HydrophobicContact CD2-CD2 3.71Å; I277-L313 HydrophobicContact CG2-CD2 4.04Å; F279-L313 HydrophobicContact CB-CD1 4.04Å; F279-L313 HydrophobicContact CB-CD2 4.48Å; I309-L313 HydrophobicContact CG2-CD1 3.99Å; I309-L313 HydrophobicContact CG2-CG 4.25Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.01Å; D310-L313 PolarHBondContact O-N 2.98Å; L313-L316 PolarHBondContact O-N 3.38Å; L313-N317 VanDerWaalsContact O-CB 3.32Å; L313-N317 WeakPolarHBondContact O-CB 3.43Å; L313-N317 PolarHBondContact O-N 2.88Å; L313-N317 PolarHBondContact O-ND2 3.02Å
314D93.3Very high91.3Very high108 Ų10842.9 Ų42.958%0.57824%0.238SC*.Hα-helixtrans-60.1-46.1175.7-101.1-0.1000111.6D310 L316 N317 A318D310-D314 PolarHBondContact O-N 3.33Å; D314-L316 VanDerWaalsContact C-N 3.35Å; D314-L316 PolarHBondContact O-N 3.38Å; D314-N317 PolarHBondContact O-N 2.92Å; D314-A318 VanDerWaalsContact O-CB 3.3Å; D314-A318 WeakPolarHBondContact O-CB 3.33Å; D314-A318 PolarHBondContact O-N 3.35Å
315L90.7Very high91.1Very high56 Ų5644.5 Ų44.529%0.29325%0.246SC..Hα-helixtrans-62.9-36.5178.1-72.1168.4000113.3G311 R312 G319 E320 G321 F322G311-L315 WeakPolarHBondContact O-CG 3.26Å; G311-L315 PolarHBondContact O-N 3.07Å; R312-L315 PolarHBondContact O-N 2.91Å; L315-G319 PolarHBondContact O-N 2.92Å; L315-E320 PolarHBondContact O-N 3.31Å; L315-G321 PolarHBondContact O-N 3.31Å; L315-G321 VanDerWaalsContact O-N 3.08Å; L315-F322 HydrophobicContact CB-CD1 4.17Å; L315-F322 HydrophobicContact CD1-CB 4.46Å; L315-F322 HydrophobicContact CD1-CD1 4.29Å
316L89.6Confident90.9Very high1 Ų144.3 Ų44.31%0.00525%0.245CC..Hα-helixtrans-73.3-42.2176.9-63.8170000111.7L269 I277 R312 L313 D314 A318 G319 F322 Y342 W345L269-L316 HydrophobicContact CD1-CD1 4.01Å; I277-L316 HydrophobicContact CD1-CB 3.73Å; I277-L316 HydrophobicContact CG2-CD1 4.27Å; R312-L316 VanDerWaalsContact O-CG 3.27Å; R312-L316 WeakPolarHBondContact O-CG 3.11Å; R312-L316 PolarHBondContact O-N 3.03Å; R312-L316 VanDerWaalsContact O-N 3.13Å; L313-L316 PolarHBondContact O-N 3.38Å; D314-L316 VanDerWaalsContact C-N 3.35Å; D314-L316 PolarHBondContact O-N 3.38Å; L316-A318 VanDerWaalsContact C-N 3.34Å; L316-G319 PolarHBondContact O-N 3.16Å; L316-F322 HydrophobicContact CD1-CE1 3.82Å; L316-F322 HydrophobicContact CD1-CZ 4.2Å; L316-F322 HydrophobicContact CD2-CD1 4.15Å; L316-F322 HydrophobicContact CD2-CE1 3.66Å; L316-F322 HydrophobicContact CD2-CZ 4.22Å; L316-F322 HydrophobicContact CG-CD1 4.29Å; L316-F322 HydrophobicContact CG-CE1 3.61Å; L316-F322 HydrophobicContact CG-CZ 4.37Å; L316-Y342 HydrophobicContact CD2-CD2 4.34Å; L316-Y342 HydrophobicContact CD2-CE2 3.78Å; L316-W345 HydrophobicContact CB-CH2 4.16Å; L316-W345 HydrophobicContact CB-CZ2 4.37Å; L316-W345 HydrophobicContact CD2-CE3 4.23Å; L316-W345 HydrophobicContact CD2-CH2 3.47Å; L316-W345 VanDerWaalsContact CD2-CH2 3.47Å; L316-W345 HydrophobicContact CD2-CZ2 4.33Å; L316-W345 HydrophobicContact CD2-CZ3 3.4Å; L316-W345 HydrophobicContact CG-CH2 4.42Å; L316-W345 WeakPolarHBondContact O-CZ2 3.19Å
317N90.1Very high90.7Very high63 Ų6339.7 Ų39.734%0.33723%0.225SC..Hα-helixtrans-72.9-24.5178.5-75-57.9000113.1P276 I277 L313 D314P276-N317 VanDerWaalsContact CA-OD1 3.27Å; P276-N317 WeakPolarHBondContact CA-OD1 3.22Å; P276-N317 WeakPolarHBondContact CB-OD1 3.49Å; I277-N317 PolarHBondContact N-OD1 3.44Å; I277-N317 PolarHBondContact O-ND2 3.26Å; L313-N317 VanDerWaalsContact O-CB 3.32Å; L313-N317 WeakPolarHBondContact O-CB 3.43Å; L313-N317 PolarHBondContact O-N 2.88Å; L313-N317 PolarHBondContact O-ND2 3.02Å; D314-N317 PolarHBondContact O-N 2.92Å
318A89.4Confident90.4Very high43 Ų4342.8 Ų42.836%0.35524%0.24SC..Hα-helixtrans-65.8-28.916600000112.5D314 L316 E320D314-A318 VanDerWaalsContact O-CB 3.3Å; D314-A318 WeakPolarHBondContact O-CB 3.33Å; D314-A318 PolarHBondContact O-N 3.35Å; L316-A318 VanDerWaalsContact C-N 3.34Å; A318-E320 HydrophobicContact CB-CG 4.08Å
319G82Confident90.2Very high25 Ų2542.4 Ų42.426%0.25824%0.238SC..THydrogen-bonded Turntrans87.610.8-173.800000114L315 L316L315-G319 PolarHBondContact O-N 2.92Å; L316-G319 PolarHBondContact O-N 3.16Å
320E79.9Confident89.9Confident146 Ų14642.2 Ų42.268%0.68224%0.237SC*.  trans-80.2-40.3178.7-66.1172.8-155.700110.6L315 A318L315-E320 PolarHBondContact O-N 3.31Å; A318-E320 HydrophobicContact CB-CG 4.08Å
321G77.6Confident89.4Confident11 Ų1142.4 Ų42.411%0.11324%0.238CC..  trans67.4-168.7-173.300000112.2L315L315-G321 PolarHBondContact O-N 3.31Å; L315-G321 VanDerWaalsContact O-N 3.08Å
322F84.6Confident88.8Confident22 Ų2247 Ų4710%0.09625%0.252CS..  trans-153153.5-179.348.2-106000111.7Y265 R312 L315 L316 E327 Y342Y265-F322 WeakPolarHBondContact OH-CE2 3.37Å; Y265-F322 VanDerWaalsContact OH-CZ 3.31Å; Y265-F322 WeakPolarHBondContact OH-CZ 3.49Å; R312-F322 HydrophobicContact CB-CE1 3.81Å; R312-F322 HydrophobicContact CB-CZ 4.25Å; R312-F322 HydrophobicContact CG-CE1 4.02Å; R312-F322 HydrophobicContact CG-CZ 4.18Å; L315-F322 HydrophobicContact CB-CD1 4.17Å; L315-F322 HydrophobicContact CD1-CB 4.46Å; L315-F322 HydrophobicContact CD1-CD1 4.29Å; L316-F322 HydrophobicContact CD1-CE1 3.82Å; L316-F322 HydrophobicContact CD1-CZ 4.2Å; L316-F322 HydrophobicContact CD2-CD1 4.15Å; L316-F322 HydrophobicContact CD2-CE1 3.66Å; L316-F322 HydrophobicContact CD2-CZ 4.22Å; L316-F322 HydrophobicContact CG-CD1 4.29Å; L316-F322 HydrophobicContact CG-CE1 3.61Å; L316-F322 HydrophobicContact CG-CZ 4.37Å; F322-E327 HydrophobicContact CD2-CG 3.74Å; F322-E327 HydrophobicContact CE2-CG 3.9Å; F322-Y342 WeakPolarHBondContact CD2-OH 3.46Å; F322-Y342 AromaticContact CE2-CE2 3.96Å; F322-Y342 HydrophobicContact CE2-CE2 3.96Å; F322-Y342 AromaticContact CE2-CZ 3.91Å; F322-Y342 WeakPolarHBondContact CE2-OH 3.37Å; F322-Y342 AromaticContact CZ-CE2 3.89Å; F322-Y342 HydrophobicContact CZ-CE2 3.89Å; F322-Y342 PolarHBondContact O-OH 3.08Å
323N82.1Confident88Confident99 Ų9947.5 Ų47.553%0.52926%0.264SS..  trans-157.998.2169.8-177.7104.5000107.5E328N323-E328 PolarHBondContact ND2-OE1 3.27Å
324D90.8Very high86.9Confident36 Ų3653.2 Ų53.219%0.19329%0.29CS..  trans-126.4176.3176.455.749.9000110.2R312 F326 E327 E328R312-D324 IonicContact CZ-OD2 3.72Å; R312-D324 IonicContact NH1-OD2 2.8Å; R312-D324 PolarHBondContact NH1-OD2 2.94Å; R312-D324 IonicContact NH2-OD1 2.84Å; R312-D324 PolarHBondContact NH2-OD1 3.02Å; R312-D324 VanDerWaalsContact NH2-OD1 3.13Å; R312-D324 IonicContact NH2-OD2 3.44Å; R312-D324 PolarHBondContact NH2-OD2 2.96Å; D324-F326 PolarHBondContact O-N 3.16Å; D324-F326 VanDerWaalsContact O-N 3.13Å; D324-F326 WeakPolarHBondContact OD1-CB 3.4Å; D324-F326 PolarHBondContact OD1-N 3.16Å; D324-E327 PolarHBondContact O-N 3.16Å; D324-E327 PolarHBondContact OD1-N 3.22Å; D324-E328 PolarHBondContact O-N 2.96Å
325I93.4Very high85.7Confident34 Ų3449.6 Ų49.617%0.17427%0.268CS..Hα-helixtrans-62.2-27.4-169.5-44.6-179.1000111.4K103 L105 L255 E329K103-I325 VanDerWaalsContact O-CD1 3.22Å; K103-I325 WeakPolarHBondContact O-CD1 3.3Å; L105-I325 HydrophobicContact CD1-CG2 4.24Å; L105-I325 HydrophobicContact CD2-CD1 4.49Å; L105-I325 HydrophobicContact CG-CD1 3.99Å; L105-I325 HydrophobicContact CG-CG2 4.43Å; L255-I325 HydrophobicContact CD2-CB 4.39Å; L255-I325 HydrophobicContact CD2-CG2 3.75Å; I325-E329 WeakPolarHBondContact O-CB 3.33Å; I325-E329 PolarHBondContact O-N 3.01Å
326F95.1Very high84.3Confident0 Ų049.6 Ų49.60%028%0.276CS..Hα-helixtrans-69.2-42.5173.6173.6-104.3000112.2Y161 P162 L255 Q258 A259 F262 Y265 F308 D324 E328 E329 I330Y161-F326 HydrophobicContact CE1-CB 4.23Å; P162-F326 HydrophobicContact CB-CB 4.21Å; P162-F326 HydrophobicContact CB-CD1 4.41Å; P162-F326 HydrophobicContact CB-CG 4.28Å; P162-F326 HydrophobicContact CG-CB 4.01Å; P162-F326 HydrophobicContact CG-CD1 3.58Å; P162-F326 HydrophobicContact CG-CD2 3.83Å; P162-F326 HydrophobicContact CG-CE1 3.82Å; P162-F326 HydrophobicContact CG-CE2 4.06Å; P162-F326 HydrophobicContact CG-CG 3.54Å; P162-F326 HydrophobicContact CG-CZ 4.05Å; L255-F326 HydrophobicContact CD1-CB 3.92Å; L255-F326 HydrophobicContact CD1-CD2 4.16Å; Q258-F326 HydrophobicContact CB-CD2 4.33Å; Q258-F326 HydrophobicContact CB-CE2 3.86Å; A259-F326 HydrophobicContact CB-CD2 4.4Å; A259-F326 HydrophobicContact CB-CE2 4.2Å; F262-F326 HydrophobicContact CB-CZ 4.47Å; Y265-F326 AromaticContact CE1-CE1 3.94Å; Y265-F326 HydrophobicContact CE1-CE1 3.94Å; F308-F326 HydrophobicContact CE2-CD1 4.49Å; F308-F326 HydrophobicContact CE2-CE1 4.23Å; F308-F326 HydrophobicContact CZ-CD1 4.3Å; F308-F326 AromaticContact CZ-CE1 3.69Å; F308-F326 HydrophobicContact CZ-CE1 3.69Å; F308-F326 HydrophobicContact CZ-CZ 4.47Å; D324-F326 PolarHBondContact O-N 3.16Å; D324-F326 VanDerWaalsContact O-N 3.13Å; D324-F326 WeakPolarHBondContact OD1-CB 3.4Å; D324-F326 PolarHBondContact OD1-N 3.16Å; F326-E328 VanDerWaalsContact C-N 3.32Å; F326-E328 PolarHBondContact O-N 3.08Å; F326-E329 PolarHBondContact O-N 3.41Å; F326-I330 HydrophobicContact CD1-CD1 3.8Å; F326-I330 HydrophobicContact CE1-CD1 3.36Å; F326-I330 HydrophobicContact CE1-CG1 4.4Å; F326-I330 HydrophobicContact CE2-CD1 4.37Å; F326-I330 HydrophobicContact CG-CD1 4.5Å; F326-I330 HydrophobicContact CZ-CD1 3.7Å; F326-I330 HydrophobicContact CZ-CG1 4.44Å; F326-I330 WeakPolarHBondContact O-CG1 3.49Å; F326-I330 PolarHBondContact O-N 2.87Å
327E92Very high82.7Confident2 Ų252.5 Ų52.51%0.00931%0.307CS..Hα-helixtrans-68.5-32.7176.3-59-56151.500112.7Y265 R266 R312 F322 D324 I330 N331Y265-E327 VanDerWaalsContact OH-CD 3.26Å; Y265-E327 PolarHBondContact OH-OE1 2.89Å; Y265-E327 PolarHBondContact OH-OE2 2.88Å; R266-E327 IonicContact CZ-OE2 3.95Å; R266-E327 IonicContact NE-OE2 2.71Å; R266-E327 PolarHBondContact NE-OE2 2.8Å; R266-E327 PolarHBondContact NH2-O 2.7Å; R266-E327 IonicContact NH2-OE2 3Å; R266-E327 PolarHBondContact NH2-OE2 2.94Å; R312-E327 IonicContact CZ-OE1 3.19Å; R312-E327 IonicContact NE-OE1 2.68Å; R312-E327 PolarHBondContact NE-OE1 3.08Å; R312-E327 IonicContact NH2-OE1 3.99Å; R312-E327 PolarHBondContact NH2-OE1 3.21Å; F322-E327 HydrophobicContact CD2-CG 3.74Å; F322-E327 HydrophobicContact CE2-CG 3.9Å; D324-E327 PolarHBondContact O-N 3.16Å; D324-E327 PolarHBondContact OD1-N 3.22Å; E327-I330 PolarHBondContact O-N 3.34Å; E327-N331 PolarHBondContact O-N 2.87Å; E327-N331 PolarHBondContact O-ND2 3.24Å; E327-N331 PolarHBondContact O-OD1 3.19Å
328E91.5Very high81.2Confident89 Ų8952.4 Ų52.442%0.41631%0.31SS..Hα-helixtrans-66.7-38.7171.5-68.4176.7179.100111.7N323 D324 F326 N331 M332N323-E328 PolarHBondContact ND2-OE1 3.27Å; D324-E328 PolarHBondContact O-N 2.96Å; F326-E328 VanDerWaalsContact C-N 3.32Å; F326-E328 PolarHBondContact O-N 3.08Å; E328-N331 WeakPolarHBondContact O-CB 3.49Å; E328-N331 PolarHBondContact O-N 3.2Å; E328-M332 PolarHBondContact O-N 3.32Å
329E93.6Very high79.8Confident9 Ų950.8 Ų50.84%0.04230%0.296CS..Hα-helixtrans-68.9-35.9174.6-164.561.3-105.100112.1R252 L255 K256 A259 I325 F326 N331 M332 G333R252-E329 IonicContact NH1-OE2 3.15Å; L255-E329 HydrophobicContact CD2-CB 3.94Å; L255-E329 HydrophobicContact CD2-CG 4.13Å; L255-E329 HydrophobicContact CG-CB 4.26Å; L255-E329 HydrophobicContact CG-CG 4.25Å; K256-E329 WeakPolarHBondContact CE-OE2 3.32Å; K256-E329 HydrophobicContact CG-CG 3.77Å; K256-E329 WeakPolarHBondContact CG-OE1 3.27Å; K256-E329 WeakPolarHBondContact CG-OE2 3.36Å; K256-E329 IonicContact NZ-OE1 2.7Å; K256-E329 PolarHBondContact NZ-OE1 2.9Å; K256-E329 IonicContact NZ-OE2 3.72Å; K256-E329 PolarHBondContact NZ-OE2 3.08Å; A259-E329 HydrophobicContact CB-CB 4.3Å; A259-E329 HydrophobicContact CB-CG 4.01Å; I325-E329 WeakPolarHBondContact O-CB 3.33Å; I325-E329 PolarHBondContact O-N 3.01Å; F326-E329 PolarHBondContact O-N 3.41Å; E329-N331 VanDerWaalsContact C-N 3.34Å; E329-M332 PolarHBondContact O-N 3.02Å; E329-G333 PolarHBondContact O-N 3.07Å
330I91.1Very high78.8Confident4 Ų459.7 Ų59.72%0.02132%0.322CS..Hα-helixtrans-61.3-42.3168.4-71.3169.7000111.1A259 Y265 F326 E327 M332 G333A259-I330 HydrophobicContact CB-CG1 4Å; Y265-I330 HydrophobicContact CD1-CD1 4.38Å; Y265-I330 HydrophobicContact CE1-CD1 3.89Å; F326-I330 HydrophobicContact CD1-CD1 3.8Å; F326-I330 HydrophobicContact CE1-CD1 3.36Å; F326-I330 HydrophobicContact CE1-CG1 4.4Å; F326-I330 HydrophobicContact CE2-CD1 4.37Å; F326-I330 HydrophobicContact CG-CD1 4.5Å; F326-I330 HydrophobicContact CZ-CD1 3.7Å; F326-I330 HydrophobicContact CZ-CG1 4.44Å; F326-I330 WeakPolarHBondContact O-CG1 3.49Å; F326-I330 PolarHBondContact O-N 2.87Å; E327-I330 PolarHBondContact O-N 3.34Å; I330-M332 PolarHBondContact O-N 3.32Å; I330-G333 PolarHBondContact O-N 3.18Å; I330-G333 VanDerWaalsContact O-N 3.08Å
331N87.4Confident78.1Confident63 Ų6356.8 Ų56.834%0.33731%0.314SS..Hα-helixtrans-65.6-16.7178.5-67.2-22.2000113.4R266 E327 E328 E329 A336R266-N331 PolarHBondContact NH1-OD1 3.17Å; R266-N331 PolarHBondContact NH2-OD1 2.86Å; R266-N331 VanDerWaalsContact NH2-OD1 3.16Å; E327-N331 PolarHBondContact O-N 2.87Å; E327-N331 PolarHBondContact O-ND2 3.24Å; E327-N331 PolarHBondContact O-OD1 3.19Å; E328-N331 WeakPolarHBondContact O-CB 3.49Å; E328-N331 PolarHBondContact O-N 3.2Å; E329-N331 VanDerWaalsContact C-N 3.34Å; N331-A336 VanDerWaalsContact O-CB 3.27Å; N331-A336 WeakPolarHBondContact O-CB 3.34Å
332M82.9Confident77.6Confident129 Ų12956.7 Ų56.764%0.63531%0.31SS*.Hα-helixtrans-101.1-10.1173.1-65.1-171.1-65.600114E328 E329 I330E328-M332 PolarHBondContact O-N 3.32Å; E329-M332 PolarHBondContact O-N 3.02Å; I330-M332 PolarHBondContact O-N 3.32Å
333G77.6Confident76.8Confident32 Ų3259.1 Ų59.133%0.3332%0.322SS..SBendtrans-91.1-167.7-173.100000114.9E329 I330 Y335 A336E329-G333 PolarHBondContact O-N 3.07Å; I330-G333 PolarHBondContact O-N 3.18Å; I330-G333 VanDerWaalsContact O-N 3.08Å; G333-Y335 PolarHBondContact O-N 3.23Å; G333-Y335 VanDerWaalsContact O-N 3.11Å; G333-A336 WeakPolarHBondContact O-CB 3.23Å; G333-A336 PolarHBondContact O-N 2.96Å
334E69.9Low76Confident145 Ų14560 Ų6068%0.67832%0.323SS*.THydrogen-bonded Turntrans-61.8-19.3179.5-68.3-163.5-156.400114.3R288R288-E334 IonicContact CZ-OE2 3.96Å; R288-E334 IonicContact NH2-OE2 3.36Å; R288-E334 PolarHBondContact NH2-OE2 3.12Å
335Y68.6Low75Confident33 Ų3360 Ų6013%0.12932%0.32CS..THydrogen-bonded Turntrans-901178.1-53.9-66.8000113.2S260 G263 G333 G337 S338S260-Y335 PolarHBondContact O-OH 2.62Å; G263-Y335 VanDerWaalsContact C-CD2 3.49Å; G333-Y335 PolarHBondContact O-N 3.23Å; G333-Y335 VanDerWaalsContact O-N 3.11Å; Y335-G337 PolarHBondContact O-N 2.8Å; Y335-S338 PolarHBondContact O-N 3.11Å; Y335-S338 PolarHBondContact O-OG 3.04Å
336A60.8Low73.8Confident56 Ų5659.9 Ų59.946%0.46332%0.32SS..THydrogen-bonded Turntrans-56.5110.117700000111.4N331 G333N331-A336 VanDerWaalsContact O-CB 3.27Å; N331-A336 WeakPolarHBondContact O-CB 3.34Å; G333-A336 WeakPolarHBondContact O-CB 3.23Å; G333-A336 PolarHBondContact O-N 2.96Å
337G56.1Low72.3Confident62 Ų6264.3 Ų64.364%0.63934%0.343SS*.THydrogen-bonded Turntrans87.10.2177.300000116.8Y335Y335-G337 PolarHBondContact O-N 2.8Å
338S58Low71.1Confident60 Ų6067.8 Ų67.842%0.4236%0.364SS..THydrogen-bonded Turntrans-65.4-32.2161.9690000110.6N267 Y335 R340N267-S338 PolarHBondContact ND2-OG 2.97Å; N267-S338 WeakPolarHBondContact OD1-CB 3.32Å; N267-S338 PolarHBondContact OD1-OG 3.12Å; Y335-S338 PolarHBondContact O-N 3.11Å; Y335-S338 PolarHBondContact O-OG 3.04Å; S338-R340 VanDerWaalsContact C-N 3.31Å; S338-R340 PolarHBondContact O-N 3.13Å
339D60.1Low69.7Low9 Ų964.7 Ų64.75%0.04835%0.351CS..  trans-71.574.2175-175.1-16.2000112.3R266 Y342 H343R266-D339 WeakPolarHBondContact CD-OD2 3.44Å; R266-D339 IonicContact CZ-OD2 3.13Å; R266-D339 IonicContact NE-OD2 2.77Å; R266-D339 IonicContact NH1-OD2 2.72Å; R266-D339 PolarHBondContact NH1-OD2 3.02Å; D339-Y342 WeakPolarHBondContact OD1-CA 3.43Å; D339-Y342 WeakPolarHBondContact OD1-CB 3.48Å; D339-Y342 PolarHBondContact OD1-N 3.46Å; D339-Y342 VanDerWaalsContact OD1-N 3.16Å; D339-Y342 WeakPolarHBondContact OD2-CD1 3.48Å; D339-H343 PolarHBondContact O-ND1 3.04Å; D339-H343 VanDerWaalsContact O-ND1 3.14Å; D339-H343 IonicContact OD1-CE1 3.21Å; D339-H343 IonicContact OD1-CG 3.42Å; D339-H343 PolarHBondContact OD1-N 3.44Å; D339-H343 IonicContact OD1-ND1 2.72Å; D339-H343 PolarHBondContact OD1-ND1 3.2Å; D339-H343 IonicContact OD2-CE1 3.38Å; D339-H343 PolarHBondContact OD2-CE1 3.04Å; D339-H343 IonicContact OD2-ND1 2.79Å; D339-H343 PolarHBondContact OD2-ND1 2.69Å; D339-H343 VanDerWaalsContact OD2-ND1 3.12Å
340R62.7Low68.1Low213 Ų21371.3 Ų71.380%0.80438%0.38SS*.SBendtrans-84.9-32.3161-82.5-173170.7-171.7-2.1112.2S338 Q344S338-R340 VanDerWaalsContact C-N 3.31Å; S338-R340 PolarHBondContact O-N 3.13Å; R340-Q344 WeakPolarHBondContact O-CB 3.2Å; R340-Q344 PolarHBondContact O-N 3.37Å
341T63.6Low66.5Low85 Ų8579.8 Ų79.852%0.52142%0.417SS..Hα-helixtrans-75.4-51.3-173.738.40000112.8Q344 W345T341-Q344 PolarHBondContact O-N 2.83Å; T341-W345 WeakPolarHBondContact O-CB 3.36Å; T341-W345 PolarHBondContact O-N 3.26Å
342Y67.8Low64.8Low8 Ų877.5 Ų77.53%0.03141%0.408CS..Hα-helixtrans-68.8-37177.4161.7-78000111.2L269 F271 L316 F322 D339 W345 L346L269-Y342 HydrophobicContact CD1-CD2 4.43Å; F271-Y342 HydrophobicContact CZ-CD2 4.16Å; L316-Y342 HydrophobicContact CD2-CD2 4.34Å; L316-Y342 HydrophobicContact CD2-CE2 3.78Å; F322-Y342 WeakPolarHBondContact CD2-OH 3.46Å; F322-Y342 AromaticContact CE2-CE2 3.96Å; F322-Y342 HydrophobicContact CE2-CE2 3.96Å; F322-Y342 AromaticContact CE2-CZ 3.91Å; F322-Y342 WeakPolarHBondContact CE2-OH 3.37Å; F322-Y342 AromaticContact CZ-CE2 3.89Å; F322-Y342 HydrophobicContact CZ-CE2 3.89Å; F322-Y342 PolarHBondContact O-OH 3.08Å; D339-Y342 WeakPolarHBondContact OD1-CA 3.43Å; D339-Y342 WeakPolarHBondContact OD1-CB 3.48Å; D339-Y342 PolarHBondContact OD1-N 3.46Å; D339-Y342 VanDerWaalsContact OD1-N 3.16Å; D339-Y342 WeakPolarHBondContact OD2-CD1 3.48Å; Y342-W345 HydrophobicContact CD2-CE3 4.49Å; Y342-W345 WeakPolarHBondContact O-CB 3.24Å; Y342-W345 PolarHBondContact O-N 3Å; Y342-L346 VanDerWaalsContact O-CB 3.27Å; Y342-L346 WeakPolarHBondContact O-CB 3.39Å; Y342-L346 PolarHBondContact O-N 2.71Å
343H67.9Low63.1Low73 Ų7374.5 Ų74.534%0.33841%0.41SS..Hα-helixtrans-63.8-41.2170.7-78.372.1000113D339 W345 L346 L347D339-H343 PolarHBondContact O-ND1 3.04Å; D339-H343 VanDerWaalsContact O-ND1 3.14Å; D339-H343 IonicContact OD1-CE1 3.21Å; D339-H343 IonicContact OD1-CG 3.42Å; D339-H343 PolarHBondContact OD1-N 3.44Å; D339-H343 IonicContact OD1-ND1 2.72Å; D339-H343 PolarHBondContact OD1-ND1 3.2Å; D339-H343 IonicContact OD2-CE1 3.38Å; D339-H343 PolarHBondContact OD2-CE1 3.04Å; D339-H343 IonicContact OD2-ND1 2.79Å; D339-H343 PolarHBondContact OD2-ND1 2.69Å; D339-H343 VanDerWaalsContact OD2-ND1 3.12Å; H343-W345 VanDerWaalsContact C-N 3.34Å; H343-L346 PolarHBondContact O-N 3.19Å; H343-L347 WeakPolarHBondContact O-CB 3.4Å; H343-L347 VanDerWaalsContact O-CG 3.25Å; H343-L347 WeakPolarHBondContact O-CG 3.5Å; H343-L347 PolarHBondContact O-N 2.96Å
344Q65.9Low61.7Low119 Ų11975.1 Ų75.156%0.55642%0.416SS*.Hα-helixtrans-64.2-40173.9178.958.757.200111.2R340 T341 T348R340-Q344 WeakPolarHBondContact O-CB 3.2Å; R340-Q344 PolarHBondContact O-N 3.37Å; T341-Q344 PolarHBondContact O-N 2.83Å; Q344-T348 PolarHBondContact NE2-OG1 3.01Å; Q344-T348 VanDerWaalsContact NE2-OG1 3.09Å; Q344-T348 WeakPolarHBondContact O-CB 3.41Å; Q344-T348 PolarHBondContact O-N 3.37Å; Q344-T348 PolarHBondContact O-OG1 2.9Å
345W69.4Low60.4Low36 Ų3671.5 Ų71.514%0.13641%0.411CS..Hα-helixtrans-61.1-51.3172.5177.689.5000111.2F271 I277 L316 T341 Y342 H343 L347 T348 V349F271-W345 HydrophobicContact CD1-CB 4.05Å; F271-W345 AromaticContact CD1-CD1 3.56Å; F271-W345 HydrophobicContact CD1-CD2 4.43Å; F271-W345 AromaticContact CD1-CG 3.76Å; F271-W345 HydrophobicContact CD1-CG 3.76Å; F271-W345 HydrophobicContact CE1-CB 3.95Å; F271-W345 AromaticContact CE1-CD1 3.85Å; F271-W345 AromaticContact CE1-CD2 3.94Å; F271-W345 HydrophobicContact CE1-CD2 3.94Å; F271-W345 AromaticContact CE1-CG 3.64Å; F271-W345 HydrophobicContact CE1-CG 3.64Å; I277-W345 HydrophobicContact CD1-CZ2 3.69Å; L316-W345 HydrophobicContact CB-CH2 4.16Å; L316-W345 HydrophobicContact CB-CZ2 4.37Å; L316-W345 HydrophobicContact CD2-CE3 4.23Å; L316-W345 HydrophobicContact CD2-CH2 3.47Å; L316-W345 VanDerWaalsContact CD2-CH2 3.47Å; L316-W345 HydrophobicContact CD2-CZ2 4.33Å; L316-W345 HydrophobicContact CD2-CZ3 3.4Å; L316-W345 HydrophobicContact CG-CH2 4.42Å; L316-W345 WeakPolarHBondContact O-CZ2 3.19Å; T341-W345 WeakPolarHBondContact O-CB 3.36Å; T341-W345 PolarHBondContact O-N 3.26Å; Y342-W345 HydrophobicContact CD2-CE3 4.49Å; Y342-W345 WeakPolarHBondContact O-CB 3.24Å; Y342-W345 PolarHBondContact O-N 3Å; H343-W345 VanDerWaalsContact C-N 3.34Å; W345-L347 VanDerWaalsContact C-N 3.31Å; W345-L347 PolarHBondContact O-N 3.27Å; W345-T348 CarbonylContact O-C 3.09Å; W345-T348 WeakPolarHBondContact O-CA 3.48Å; W345-T348 WeakPolarHBondContact O-CB 3.26Å; W345-T348 PolarHBondContact O-N 2.82Å; W345-V349 HydrophobicContact CD2-CG2 3.87Å; W345-V349 HydrophobicContact CE3-CG2 4.32Å; W345-V349 HydrophobicContact CG-CG2 4.39Å; W345-V349 HydrophobicContact CH2-CG2 4.11Å; W345-V349 HydrophobicContact CZ2-CG2 3.67Å; W345-V349 HydrophobicContact CZ3-CG2 4.41Å; W345-V349 WeakPolarHBondContact O-CG2 3.47Å; W345-V349 PolarHBondContact O-N 3.24Å
346L68.9Low59.4Low30 Ų3074.9 Ų74.916%0.15743%0.43CS..Hα-helixtrans-59.2-41.1-179.3-162.381.4000111.5Y342 H343 K350Y342-L346 VanDerWaalsContact O-CB 3.27Å; Y342-L346 WeakPolarHBondContact O-CB 3.39Å; Y342-L346 PolarHBondContact O-N 2.71Å; H343-L346 PolarHBondContact O-N 3.19Å; L346-K350 HydrophobicContact CD2-CD 4.49Å; L346-K350 HydrophobicContact CG-CD 4.14Å; L346-K350 VanDerWaalsContact O-CB 3.23Å; L346-K350 WeakPolarHBondContact O-CB 3.49Å; L346-K350 VanDerWaalsContact O-CG 3.28Å; L346-K350 WeakPolarHBondContact O-CG 3.27Å; L346-K350 PolarHBondContact O-N 2.72Å
347L63.2Low58.7Low93 Ų9376.4 Ų76.449%0.48743%0.427SS..Hα-helixtrans-66.5-35.5172.9-73.9169.3000112.4H343 W345 K351H343-L347 WeakPolarHBondContact O-CB 3.4Å; H343-L347 VanDerWaalsContact O-CG 3.25Å; H343-L347 WeakPolarHBondContact O-CG 3.5Å; H343-L347 PolarHBondContact O-N 2.96Å; W345-L347 VanDerWaalsContact C-N 3.31Å; W345-L347 PolarHBondContact O-N 3.27Å; L347-K351 VanDerWaalsContact O-CB 3.24Å; L347-K351 WeakPolarHBondContact O-CB 3.29Å; L347-K351 VanDerWaalsContact O-CG 3.28Å; L347-K351 WeakPolarHBondContact O-CG 3.35Å; L347-K351 PolarHBondContact O-N 2.89Å
348T66.3Low58.1Low75 Ų7579.9 Ų79.946%0.4643%0.427SS..Hα-helixtrans-72.4-40178.1-55.20000111.3Q344 W345 G352Q344-T348 PolarHBondContact NE2-OG1 3.01Å; Q344-T348 VanDerWaalsContact NE2-OG1 3.09Å; Q344-T348 WeakPolarHBondContact O-CB 3.41Å; Q344-T348 PolarHBondContact O-N 3.37Å; Q344-T348 PolarHBondContact O-OG1 2.9Å; W345-T348 CarbonylContact O-C 3.09Å; W345-T348 WeakPolarHBondContact O-CA 3.48Å; W345-T348 WeakPolarHBondContact O-CB 3.26Å; W345-T348 PolarHBondContact O-N 2.82Å; T348-G352 WeakPolarHBondContact O-CA 3.5Å; T348-G352 PolarHBondContact O-N 3.45Å
349V62.7Low57.2Low24 Ų2480.2 Ų80.215%0.14543%0.426CS..Hα-helixtrans-69.3-49.7174.5176.70000110.8W345 K351 G352 G353 F357W345-V349 HydrophobicContact CD2-CG2 3.87Å; W345-V349 HydrophobicContact CE3-CG2 4.32Å; W345-V349 HydrophobicContact CG-CG2 4.39Å; W345-V349 HydrophobicContact CH2-CG2 4.11Å; W345-V349 HydrophobicContact CZ2-CG2 3.67Å; W345-V349 HydrophobicContact CZ3-CG2 4.41Å; W345-V349 WeakPolarHBondContact O-CG2 3.47Å; W345-V349 PolarHBondContact O-N 3.24Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.21Å; V349-G352 CarbonylContact O-C 3.58Å; V349-G352 PolarHBondContact O-N 3.33Å; V349-G352 VanDerWaalsContact O-N 3.07Å; V349-G353 PolarHBondContact O-N 2.92Å; V349-F357 HydrophobicContact CG2-CE2 3.99Å; V349-F357 HydrophobicContact CG2-CZ 4.38Å
350K60.3Low56.4Low149 Ų14984 Ų8465%0.64845%0.449SS*.Hα-helixtrans-64.3-29.7179.4-71.2179.4178.3179.90113.1L346L346-K350 HydrophobicContact CD2-CD 4.49Å; L346-K350 HydrophobicContact CG-CD 4.14Å; L346-K350 VanDerWaalsContact O-CB 3.23Å; L346-K350 WeakPolarHBondContact O-CB 3.49Å; L346-K350 VanDerWaalsContact O-CG 3.28Å; L346-K350 WeakPolarHBondContact O-CG 3.27Å; L346-K350 PolarHBondContact O-N 2.72Å
351K56.5Low55.7Low182 Ų18280.5 Ų80.579%0.79144%0.44SS*.Hα-helixtrans-85.2-23.3170.6-70178.7177.3178.80114.1L347 V349L347-K351 VanDerWaalsContact O-CB 3.24Å; L347-K351 WeakPolarHBondContact O-CB 3.29Å; L347-K351 VanDerWaalsContact O-CG 3.28Å; L347-K351 WeakPolarHBondContact O-CG 3.35Å; L347-K351 PolarHBondContact O-N 2.89Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.21Å
352G51.7Low54.9Low14 Ų1481.2 Ų81.214%0.14444%0.444CS..Hα-helixtrans-92.93.1-179.800000114.9T348 V349 G354T348-G352 WeakPolarHBondContact O-CA 3.5Å; T348-G352 PolarHBondContact O-N 3.45Å; V349-G352 CarbonylContact O-C 3.58Å; V349-G352 PolarHBondContact O-N 3.33Å; V349-G352 VanDerWaalsContact O-N 3.07Å; G352-G354 PolarHBondContact O-N 3.35Å
353G46.4Very low53.8Low67 Ų6788.9 Ų88.969%0.69148%0.478SS*.THydrogen-bonded Turntrans-51.9114.9-174.500000113.1V349V349-G353 PolarHBondContact O-N 2.92Å
354G48Very low52.8Low44 Ų4487.6 Ų87.645%0.45448%0.48SS..THydrogen-bonded Turntrans109.4-78.1-17700000113.1G352 Q358G352-G354 PolarHBondContact O-N 3.35Å; G354-Q358 WeakPolarHBondContact O-CB 3.45Å; G354-Q358 VanDerWaalsContact O-CG 3.31Å; G354-Q358 WeakPolarHBondContact O-CG 3.45Å; G354-Q358 PolarHBondContact O-N 2.82Å
355A43.3Very low51.9Low69 Ų6986.5 Ų86.557%0.5748%0.478SS*.Hα-helixtrans-72.8-43.9-161.600000115.3T359A355-T359 PolarHBondContact O-N 3.11Å; A355-T359 VanDerWaalsContact O-N 3.09Å; A355-T359 PolarHBondContact O-OG1 2.89Å
356I48.3Very low51.1Low104 Ų10489.1 Ų89.153%0.53350%0.5SS..Hα-helixtrans-77.9-45.1-170.2-58.3178.4000110.8Q358 T359 V360I356-Q358 PolarHBondContact O-N 3.11Å; I356-T359 WeakPolarHBondContact O-CA 3.47Å; I356-T359 WeakPolarHBondContact O-CB 3.38Å; I356-T359 PolarHBondContact O-N 2.76Å; I356-V360 PolarHBondContact O-N 3.18Å; I356-V360 VanDerWaalsContact O-N 3.07Å
357F45.7Very low49.9Very low89 Ų8990 Ų9039%0.3951%0.511SS..Hα-helixtrans-66.9-34.2176.3-93-98.7000112.8V349 T359 V360 K361V349-F357 HydrophobicContact CG2-CE2 3.99Å; V349-F357 HydrophobicContact CG2-CZ 4.38Å; F357-T359 VanDerWaalsContact C-N 3.33Å; F357-V360 PolarHBondContact O-N 3.29Å; F357-K361 WeakPolarHBondContact O-CB 3.37Å; F357-K361 PolarHBondContact O-N 2.82Å
358Q42.8Very low49.2Very low135 Ų13592.4 Ų92.463%0.63152%0.522SS*.Hα-helixtrans-61.3-42.4167.4-79.1-170.87.600111.5G354 I356 V360 K361 T362G354-Q358 WeakPolarHBondContact O-CB 3.45Å; G354-Q358 VanDerWaalsContact O-CG 3.31Å; G354-Q358 WeakPolarHBondContact O-CG 3.45Å; G354-Q358 PolarHBondContact O-N 2.82Å; I356-Q358 PolarHBondContact O-N 3.11Å; Q358-V360 VanDerWaalsContact C-N 3.33Å; Q358-V360 PolarHBondContact O-N 3.41Å; Q358-K361 PolarHBondContact O-N 2.76Å; Q358-T362 WeakPolarHBondContact O-CB 3.35Å; Q358-T362 VanDerWaalsContact O-CG2 3.32Å; Q358-T362 WeakPolarHBondContact O-CG2 3.31Å; Q358-T362 PolarHBondContact O-N 3.36Å; Q358-T362 PolarHBondContact O-OG1 2.92Å
359T38.8Very low48.6Very low67 Ų6794.7 Ų94.741%0.41153%0.525SS..Hα-helixtrans-59.1-40.8178.7-58.90000112.1A355 I356 F357 T362 K363A355-T359 PolarHBondContact O-N 3.11Å; A355-T359 VanDerWaalsContact O-N 3.09Å; A355-T359 PolarHBondContact O-OG1 2.89Å; I356-T359 WeakPolarHBondContact O-CA 3.47Å; I356-T359 WeakPolarHBondContact O-CB 3.38Å; I356-T359 PolarHBondContact O-N 2.76Å; F357-T359 VanDerWaalsContact C-N 3.33Å; T359-T362 PolarHBondContact O-OG1 2.86Å; T359-K363 HydrophobicContact CG2-CD 4.02Å; T359-K363 HydrophobicContact CG2-CG 4.44Å; T359-K363 VanDerWaalsContact O-CB 3.22Å; T359-K363 WeakPolarHBondContact O-CB 3.36Å; T359-K363 WeakPolarHBondContact O-CG 3.43Å; T359-K363 PolarHBondContact O-N 3.18Å
360V44.1Very low48.4Very low88 Ų8897.2 Ų97.253%0.53354%0.541SS..Hα-helixtrans-71.1-46.4174.1-176.20000111.2I356 F357 Q358 T362 K363 A364I356-V360 PolarHBondContact O-N 3.18Å; I356-V360 VanDerWaalsContact O-N 3.07Å; F357-V360 PolarHBondContact O-N 3.29Å; Q358-V360 VanDerWaalsContact C-N 3.33Å; Q358-V360 PolarHBondContact O-N 3.41Å; V360-T362 PolarHBondContact O-N 3.47Å; V360-T362 VanDerWaalsContact O-N 3.15Å; V360-K363 PolarHBondContact O-N 3.05Å; V360-A364 WeakPolarHBondContact O-CB 3.49Å; V360-A364 PolarHBondContact O-N 2.91Å
361K47.3Very low48Very low140 Ų14094.6 Ų94.661%0.60954%0.537SS*.Hα-helixtrans-67.2-15.7-177.4-150.7162-170.5166.20113.6F357 Q358 K369F357-K361 WeakPolarHBondContact O-CB 3.37Å; F357-K361 PolarHBondContact O-N 2.82Å; Q358-K361 PolarHBondContact O-N 2.76Å; K361-K369 PolarHBondContact O-NZ 3.21Å; K361-K369 VanDerWaalsContact O-NZ 3.16Å
362T47.7Very low47.7Very low99 Ų9993.4 Ų93.461%0.60753%0.529SS*.Hα-helixtrans-105.1-27.7173.857.70000115Q358 T359 V360Q358-T362 WeakPolarHBondContact O-CB 3.35Å; Q358-T362 VanDerWaalsContact O-CG2 3.32Å; Q358-T362 WeakPolarHBondContact O-CG2 3.31Å; Q358-T362 PolarHBondContact O-N 3.36Å; Q358-T362 PolarHBondContact O-OG1 2.92Å; T359-T362 PolarHBondContact O-OG1 2.86Å; V360-T362 PolarHBondContact O-N 3.47Å; V360-T362 VanDerWaalsContact O-N 3.15Å
363K44.7Very low48.4Very low169 Ų16999 Ų9974%0.73555%0.549SS*.Hα-helixtrans-87.2-16.5172.7-72.2-171.5175.3-177.60114.1T359 V360 N365T359-K363 HydrophobicContact CG2-CD 4.02Å; T359-K363 HydrophobicContact CG2-CG 4.44Å; T359-K363 VanDerWaalsContact O-CB 3.22Å; T359-K363 WeakPolarHBondContact O-CB 3.36Å; T359-K363 WeakPolarHBondContact O-CG 3.43Å; T359-K363 PolarHBondContact O-N 3.18Å; V360-K363 PolarHBondContact O-N 3.05Å; K363-N365 PolarHBondContact O-N 3.35Å
364A46.8Very low48.9Very low47 Ų47103 Ų10339%0.38855%0.547SS..SBendtrans-57.3103.3161.200000108.3V360V360-A364 WeakPolarHBondContact O-CB 3.49Å; V360-A364 PolarHBondContact O-N 2.91Å
365N46.3Very low49.5Very low95 Ų95103.7 Ų103.751%0.50855%0.549SS..  trans-45.6129.4-165.2-176.7-12.3000111.5K363 A367 M368 K369K363-N365 PolarHBondContact O-N 3.35Å; N365-A367 PolarHBondContact O-N 2.75Å; N365-A367 VanDerWaalsContact OD1-CB 3.28Å; N365-A367 WeakPolarHBondContact OD1-CB 3.4Å; N365-A367 PolarHBondContact OD1-N 2.81Å; N365-M368 HydrophobicContact CB-CB 4.49Å; N365-M368 PolarHBondContact O-N 3.44Å; N365-K369 PolarHBondContact O-N 3.22Å
366P52.3Low50.6Low92 Ų92105.4 Ų105.460%0.59754%0.544SS*.Hα-helixtrans-50.7-31.4173.9-28.935.7000113.1M368 T370P366-M368 VanDerWaalsContact C-N 3.34Å; P366-M368 PolarHBondContact O-N 2.91Å; P366-T370 WeakPolarHBondContact O-CB 3.41Å; P366-T370 PolarHBondContact O-N 3.23Å; P366-T370 PolarHBondContact O-OG1 2.95Å
367A44.8Very low51.3Low48 Ų48103.3 Ų103.340%0.39753%0.534SS..Hα-helixtrans-62.7-33.2172.600000113.2N365 T370 V371N365-A367 PolarHBondContact O-N 2.75Å; N365-A367 VanDerWaalsContact OD1-CB 3.28Å; N365-A367 WeakPolarHBondContact OD1-CB 3.4Å; N365-A367 PolarHBondContact OD1-N 2.81Å; A367-T370 CarbonylContact O-C 3.55Å; A367-T370 PolarHBondContact O-N 3.18Å; A367-V371 WeakPolarHBondContact O-CB 3.27Å; A367-V371 WeakPolarHBondContact O-CG2 3.26Å; A367-V371 PolarHBondContact O-N 2.79Å
368M47.5Very low51.8Low144 Ų144103.8 Ų103.871%0.70954%0.537SS*.Hα-helixtrans-77.2-39.6-178.3-163.1171.5-17200112.4N365 P366 T370 V371 Y372N365-M368 HydrophobicContact CB-CB 4.49Å; N365-M368 PolarHBondContact O-N 3.44Å; P366-M368 VanDerWaalsContact C-N 3.34Å; P366-M368 PolarHBondContact O-N 2.91Å; M368-T370 VanDerWaalsContact C-N 3.34Å; M368-V371 PolarHBondContact O-N 2.96Å; M368-Y372 WeakPolarHBondContact O-CB 3.26Å; M368-Y372 PolarHBondContact O-N 3.01Å
369K53.7Low52.6Low122 Ų12299.6 Ų99.653%0.5353%0.525SS..Hα-helixtrans-64.4-40.8167.4-81175.6179.51630111.3K361 N365 K373K361-K369 PolarHBondContact O-NZ 3.21Å; K361-K369 VanDerWaalsContact O-NZ 3.16Å; N365-K369 PolarHBondContact O-N 3.22Å; K369-K373 VanDerWaalsContact O-CB 3.27Å; K369-K373 WeakPolarHBondContact O-CB 3.42Å; K369-K373 PolarHBondContact O-N 3.11Å
370T59.6Low53.7Low78 Ų78101.6 Ų101.648%0.47953%0.528SS..Hα-helixtrans-63.7-43.2175.8-58.70000111.5P366 A367 M368 K373 F374P366-T370 WeakPolarHBondContact O-CB 3.41Å; P366-T370 PolarHBondContact O-N 3.23Å; P366-T370 PolarHBondContact O-OG1 2.95Å; A367-T370 CarbonylContact O-C 3.55Å; A367-T370 PolarHBondContact O-N 3.18Å; M368-T370 VanDerWaalsContact C-N 3.34Å; T370-K373 CarbonylContact O-C 3.57Å; T370-K373 PolarHBondContact O-N 3.37Å; T370-F374 HydrophobicContact CG2-CD2 4.31Å; T370-F374 VanDerWaalsContact O-CB 3.3Å; T370-F374 WeakPolarHBondContact O-CB 3.41Å; T370-F374 PolarHBondContact O-N 3.14Å
371V52.1Low54.7Low94 Ų94103.1 Ų103.157%0.5753%0.531SS*.Hα-helixtrans-72.4-39.7179.7164.50000111.9A367 M368 K373 F374 A375A367-V371 WeakPolarHBondContact O-CB 3.27Å; A367-V371 WeakPolarHBondContact O-CG2 3.26Å; A367-V371 PolarHBondContact O-N 2.79Å; M368-V371 PolarHBondContact O-N 2.96Å; V371-K373 VanDerWaalsContact C-N 3.32Å; V371-K373 PolarHBondContact O-N 3.15Å; V371-F374 PolarHBondContact O-N 3Å; V371-A375 VanDerWaalsContact O-CB 3.24Å; V371-A375 WeakPolarHBondContact O-CB 3.38Å; V371-A375 PolarHBondContact O-N 3.17Å
372Y50.9Low54.8Low156 Ų156104.3 Ų104.361%0.61253%0.531SS*.Hα-helixtrans-62.4-42.4171.9-179.1-93.9000110.8M368 K376M368-Y372 WeakPolarHBondContact O-CB 3.26Å; M368-Y372 PolarHBondContact O-N 3.01Å; Y372-K376 HydrophobicContact CE1-CD 4.05Å; Y372-K376 VanDerWaalsContact O-CB 3.24Å; Y372-K376 WeakPolarHBondContact O-CB 3.37Å; Y372-K376 PolarHBondContact O-N 2.87Å
373K64.6Low55.6Low133 Ų133105 Ų10558%0.57853%0.53SS*.Hα-helixtrans-64.3-44.7172.8-174.7175.3178.8-175.80112K369 T370 V371 A375 K376 D377K369-K373 VanDerWaalsContact O-CB 3.27Å; K369-K373 WeakPolarHBondContact O-CB 3.42Å; K369-K373 PolarHBondContact O-N 3.11Å; T370-K373 CarbonylContact O-C 3.57Å; T370-K373 PolarHBondContact O-N 3.37Å; V371-K373 VanDerWaalsContact C-N 3.32Å; V371-K373 PolarHBondContact O-N 3.15Å; K373-A375 PolarHBondContact O-N 3.09Å; K373-K376 PolarHBondContact O-N 3.5Å; K373-D377 WeakPolarHBondContact CE-OD2 3.2Å; K373-D377 VanDerWaalsContact CG-OD2 3.23Å; K373-D377 WeakPolarHBondContact CG-OD2 3.33Å; K373-D377 VanDerWaalsContact O-CB 3.29Å; K373-D377 WeakPolarHBondContact O-CB 3.17Å; K373-D377 PolarHBondContact O-N 3.48Å
374F58.1Low56.6Low149 Ų149103.7 Ų103.765%0.65453%0.525SS*.Hα-helixtrans-64.8-39.5178.5-123.9-91.6000111.4T370 V371 H378T370-F374 HydrophobicContact CG2-CD2 4.31Å; T370-F374 VanDerWaalsContact O-CB 3.3Å; T370-F374 WeakPolarHBondContact O-CB 3.41Å; T370-F374 PolarHBondContact O-N 3.14Å; V371-F374 PolarHBondContact O-N 3Å; F374-H378 WeakPolarHBondContact O-CA 3.27Å; F374-H378 WeakPolarHBondContact O-CB 3.42Å; F374-H378 PolarHBondContact O-N 2.97Å
375A60.7Low57.3Low59 Ų59105.8 Ų105.849%0.48853%0.526SS..Hα-helixtrans-65.4-45.2174.900000110.9V371 K373 A379V371-A375 VanDerWaalsContact O-CB 3.24Å; V371-A375 WeakPolarHBondContact O-CB 3.38Å; V371-A375 PolarHBondContact O-N 3.17Å; K373-A375 PolarHBondContact O-N 3.09Å; A375-A379 WeakPolarHBondContact O-CB 3.46Å; A375-A379 PolarHBondContact O-N 3.23Å
376K66.2Low57.8Low106 Ų106106 Ų10646%0.46153%0.531SS..Hα-helixtrans-64.4-41177.3-169.4163.1-169.2158.30112.7Y372 K373 K380Y372-K376 HydrophobicContact CE1-CD 4.05Å; Y372-K376 VanDerWaalsContact O-CB 3.24Å; Y372-K376 WeakPolarHBondContact O-CB 3.37Å; Y372-K376 PolarHBondContact O-N 2.87Å; K373-K376 PolarHBondContact O-N 3.5Å; K376-K380 VanDerWaalsContact O-CG 3.3Å; K376-K380 WeakPolarHBondContact O-CG 3.47Å; K376-K380 PolarHBondContact O-N 3.45Å; K376-K380 VanDerWaalsContact O-N 3.16Å
377D63.1Low58Low60 Ų60104.3 Ų104.332%0.32151%0.514SS..Hα-helixtrans-82.5-31.2-179.6-66.6-22.6000111.9K373 K380 M381K373-D377 WeakPolarHBondContact CE-OD2 3.2Å; K373-D377 VanDerWaalsContact CG-OD2 3.23Å; K373-D377 WeakPolarHBondContact CG-OD2 3.33Å; K373-D377 VanDerWaalsContact O-CB 3.29Å; K373-D377 WeakPolarHBondContact O-CB 3.17Å; K373-D377 PolarHBondContact O-N 3.48Å; D377-K380 PolarHBondContact O-N 2.9Å; D377-K380 IonicContact OD1-NZ 2.63Å; D377-M381 WeakPolarHBondContact O-CB 3.19Å; D377-M381 VanDerWaalsContact O-CG 3.24Å; D377-M381 WeakPolarHBondContact O-CG 3.44Å; D377-M381 PolarHBondContact O-N 3.22Å
378H56.8Low58.5Low99 Ų99105.1 Ų105.146%0.45852%0.517SS..Hα-helixtrans-71.3-34.9170.4179.4-100.7000112F374 M381 R382F374-H378 WeakPolarHBondContact O-CA 3.27Å; F374-H378 WeakPolarHBondContact O-CB 3.42Å; F374-H378 PolarHBondContact O-N 2.97Å; H378-M381 PolarHBondContact O-N 2.98Å; H378-R382 WeakPolarHBondContact O-CB 3.49Å; H378-R382 PolarHBondContact O-N 3.03Å
379A59.2Low59Low46 Ų46105.8 Ų105.838%0.3851%0.511SS..Hα-helixtrans-60.6-50.7168.600000110.3A375 M381 R382 I383A375-A379 WeakPolarHBondContact O-CB 3.46Å; A375-A379 PolarHBondContact O-N 3.23Å; A379-M381 VanDerWaalsContact C-N 3.29Å; A379-M381 PolarHBondContact O-N 2.79Å; A379-R382 PolarHBondContact O-N 2.99Å; A379-I383 WeakPolarHBondContact O-CB 3.38Å; A379-I383 WeakPolarHBondContact O-CD1 3.35Å; A379-I383 VanDerWaalsContact O-CG1 3.25Å; A379-I383 WeakPolarHBondContact O-CG1 3.31Å; A379-I383 PolarHBondContact O-N 3.33Å
380K62Low58.9Low110 Ų110104.3 Ų104.348%0.47851%0.509SS..Hα-helixtrans-57.2-38.7173.1-72.4169.7-179.8176.80113.2K376 D377 K384K376-K380 VanDerWaalsContact O-CG 3.3Å; K376-K380 WeakPolarHBondContact O-CG 3.47Å; K376-K380 PolarHBondContact O-N 3.45Å; K376-K380 VanDerWaalsContact O-N 3.16Å; D377-K380 PolarHBondContact O-N 2.9Å; D377-K380 IonicContact OD1-NZ 2.63Å; K380-K384 WeakPolarHBondContact O-CB 3.5Å; K380-K384 WeakPolarHBondContact O-CG 3.17Å; K380-K384 PolarHBondContact O-N 3.21Å
381M64.9Low58.6Low120 Ų120103 Ų10359%0.59150%0.497SS*.Hα-helixtrans-70.9-41.1177.6-74.6-64.9-69.200112.4D377 H378 A379 K384 E385D377-M381 WeakPolarHBondContact O-CB 3.19Å; D377-M381 VanDerWaalsContact O-CG 3.24Å; D377-M381 WeakPolarHBondContact O-CG 3.44Å; D377-M381 PolarHBondContact O-N 3.22Å; H378-M381 PolarHBondContact O-N 2.98Å; A379-M381 VanDerWaalsContact C-N 3.29Å; A379-M381 PolarHBondContact O-N 2.79Å; M381-K384 PolarHBondContact O-N 2.93Å; M381-K384 HydrophobicContact SD-CD 4.49Å; M381-E385 PolarHBondContact O-N 3Å
382R48Very low58.5Low164 Ų164105.9 Ų105.962%0.61950%0.504SS*.Hα-helixtrans-61.8-43.3171.2-88.5-167.2170.2-164-2.4111.9H378 A379 K384 E385 V386H378-R382 WeakPolarHBondContact O-CB 3.49Å; H378-R382 PolarHBondContact O-N 3.03Å; A379-R382 PolarHBondContact O-N 2.99Å; R382-K384 VanDerWaalsContact C-N 3.3Å; R382-K384 PolarHBondContact O-N 3.15Å; R382-E385 PolarHBondContact O-N 3Å; R382-V386 WeakPolarHBondContact O-CB 3.39Å; R382-V386 WeakPolarHBondContact O-CG2 3.33Å; R382-V386 PolarHBondContact O-N 3.02Å
383I65.6Low58.3Low113 Ų113104.5 Ų104.558%0.57950%0.501SS*.Hα-helixtrans-59.9-42.9175.3-68.6163.1000109.9A379 K387A379-I383 WeakPolarHBondContact O-CB 3.38Å; A379-I383 WeakPolarHBondContact O-CD1 3.35Å; A379-I383 VanDerWaalsContact O-CG1 3.25Å; A379-I383 WeakPolarHBondContact O-CG1 3.31Å; A379-I383 PolarHBondContact O-N 3.33Å; I383-K387 WeakPolarHBondContact O-CB 3.34Å; I383-K387 PolarHBondContact O-N 3.2Å
384K64.9Low57.4Low143 Ų143103.4 Ų103.462%0.62250%0.498SS*.Hα-helixtrans-64-38.4173.2-76.7-179.4175.7-170.20113.9K380 M381 R382 K387 S388K380-K384 WeakPolarHBondContact O-CB 3.5Å; K380-K384 WeakPolarHBondContact O-CG 3.17Å; K380-K384 PolarHBondContact O-N 3.21Å; M381-K384 PolarHBondContact O-N 2.93Å; M381-K384 HydrophobicContact SD-CD 4.49Å; R382-K384 VanDerWaalsContact C-N 3.3Å; R382-K384 PolarHBondContact O-N 3.15Å; K384-K387 PolarHBondContact O-N 3.42Å; K384-S388 PolarHBondContact O-N 3.49Å
385E62Low56.6Low91 Ų91103.6 Ų103.643%0.42550%0.501SS..Hα-helixtrans-72.1-40.5178.6-162.9-161.7148.500112.2M381 R382 K387 S388 R389M381-E385 PolarHBondContact O-N 3Å; R382-E385 PolarHBondContact O-N 3Å; E385-K387 VanDerWaalsContact C-N 3.32Å; E385-S388 PolarHBondContact O-N 3.46Å; E385-S388 PolarHBondContact O-OG 3.34Å; E385-R389 WeakPolarHBondContact O-CB 3.15Å; E385-R389 WeakPolarHBondContact O-CG 3.04Å; E385-R389 PolarHBondContact O-N 3.42Å; E385-R389 IonicContact OE1-CZ 2.78Å; E385-R389 IonicContact OE1-NE 2.7Å; E385-R389 PolarHBondContact OE1-NE 2.82Å; E385-R389 IonicContact OE1-NH2 3.53Å; E385-R389 PolarHBondContact OE1-NH2 3.2Å
386V56.3Low55.8Low99 Ų99104.1 Ų104.160%0.651%0.512SS*.Hα-helixtrans-62.7-43.3172.21720000109.7R382 S388 R389 L390R382-V386 WeakPolarHBondContact O-CB 3.39Å; R382-V386 WeakPolarHBondContact O-CG2 3.33Å; R382-V386 PolarHBondContact O-N 3.02Å; V386-S388 PolarHBondContact O-N 3.1Å; V386-R389 PolarHBondContact O-N 3.43Å; V386-L390 WeakPolarHBondContact O-CB 3.21Å; V386-L390 PolarHBondContact O-N 2.95Å
387K57.9Low54.6Low56 Ų56105.1 Ų105.124%0.24352%0.518CS..Hα-helixtrans-62.3-37.2176.1-164.9175.8-164.8-176.70113.1I383 K384 E385 K391 D525 D526I383-K387 WeakPolarHBondContact O-CB 3.34Å; I383-K387 PolarHBondContact O-N 3.2Å; K384-K387 PolarHBondContact O-N 3.42Å; E385-K387 VanDerWaalsContact C-N 3.32Å; K387-K391 PolarHBondContact O-N 3.28Å; K387-K391 VanDerWaalsContact O-N 3.14Å; K387-D525 WeakPolarHBondContact CE-O 3.33Å; K387-D525 PolarHBondContact NZ-O 2.71Å; K387-D526 WeakPolarHBondContact CE-OD1 3.45Å; K387-D526 VanDerWaalsContact NZ-CG 3.26Å; K387-D526 IonicContact NZ-OD1 3.8Å; K387-D526 PolarHBondContact NZ-OD1 2.74Å
388S54.9Low53.3Low65 Ų65110.1 Ų110.146%0.45555%0.545SS..Hα-helixtrans-72.7-41175.868.60000112.5K384 E385 V386 L390 K391 Q392K384-S388 PolarHBondContact O-N 3.49Å; E385-S388 PolarHBondContact O-N 3.46Å; E385-S388 PolarHBondContact O-OG 3.34Å; V386-S388 PolarHBondContact O-N 3.1Å; S388-L390 VanDerWaalsContact C-N 3.31Å; S388-L390 PolarHBondContact O-N 3.1Å; S388-K391 PolarHBondContact O-N 3.14Å; S388-Q392 WeakPolarHBondContact O-CB 3.26Å; S388-Q392 PolarHBondContact O-N 2.94Å
389R57.2Low52.2Low158 Ų158108.5 Ų108.560%0.59656%0.555SS**Hα-helixtrans-63.3-35.5173.7-70.4174.3-176.6-94.35.7112.2E385 V386 Q392 K393E385-R389 WeakPolarHBondContact O-CB 3.15Å; E385-R389 WeakPolarHBondContact O-CG 3.04Å; E385-R389 PolarHBondContact O-N 3.42Å; E385-R389 IonicContact OE1-CZ 2.78Å; E385-R389 IonicContact OE1-NE 2.7Å; E385-R389 PolarHBondContact OE1-NE 2.82Å; E385-R389 IonicContact OE1-NH2 3.53Å; E385-R389 PolarHBondContact OE1-NH2 3.2Å; V386-R389 PolarHBondContact O-N 3.43Å; R389-Q392 PolarHBondContact O-N 3.23Å; R389-K393 PolarHBondContact O-N 2.88Å; R389-K393 VanDerWaalsContact O-N 3.15Å
390L52.1Low50.8Low91 Ų91115.1 Ų115.148%0.47658%0.576SS.*Hα-helixtrans-66.8-49.6176-167.166.7000111.4V386 S388 Q392 K393 E394V386-L390 WeakPolarHBondContact O-CB 3.21Å; V386-L390 PolarHBondContact O-N 2.95Å; S388-L390 VanDerWaalsContact C-N 3.31Å; S388-L390 PolarHBondContact O-N 3.1Å; L390-Q392 PolarHBondContact O-N 3.44Å; L390-K393 WeakPolarHBondContact O-CB 3.45Å; L390-K393 PolarHBondContact O-N 3.07Å; L390-E394 PolarHBondContact O-N 3.43Å; L390-E394 VanDerWaalsContact O-N 3.07Å
391K53Low49.1Very low51 Ų51116.6 Ų116.622%0.22259%0.594CS.*Hα-helixtrans-54.2-39.1172.1-105.6176.7162.6178.90113K387 S388 K393 Q395 D526K387-K391 PolarHBondContact O-N 3.28Å; K387-K391 VanDerWaalsContact O-N 3.14Å; S388-K391 PolarHBondContact O-N 3.14Å; K391-K393 VanDerWaalsContact C-N 3.31Å; K391-K393 PolarHBondContact O-N 2.75Å; K391-Q395 PolarHBondContact O-N 3.15Å; K391-D526 VanDerWaalsContact CE-OD2 3.3Å; K391-D526 WeakPolarHBondContact CE-OD2 3.21Å; K391-D526 IonicContact NZ-OD2 3.4Å; K391-D526 PolarHBondContact NZ-OD2 3.3Å
392Q49.2Very low47.6Very low155 Ų155116.6 Ų116.672%0.72460%0.601SS**Hα-helixtrans-70-25.3177.8-165.7174.117.400112.9S388 R389 L390S388-Q392 WeakPolarHBondContact O-CB 3.26Å; S388-Q392 PolarHBondContact O-N 2.94Å; R389-Q392 PolarHBondContact O-N 3.23Å; L390-Q392 PolarHBondContact O-N 3.44Å
393K48.3Very low46.6Very low126 Ų126114.2 Ų114.255%0.54861%0.607SS.*Hα-helixtrans-77.2-46.3172.8-166.4179.2-174.1-76.90111.8R389 L390 K391 Q395 G396 E397R389-K393 PolarHBondContact O-N 2.88Å; R389-K393 VanDerWaalsContact O-N 3.15Å; L390-K393 WeakPolarHBondContact O-CB 3.45Å; L390-K393 PolarHBondContact O-N 3.07Å; K391-K393 VanDerWaalsContact C-N 3.31Å; K391-K393 PolarHBondContact O-N 2.75Å; K393-Q395 PolarHBondContact O-N 3.18Å; K393-G396 PolarHBondContact O-N 3.07Å; K393-E397 IonicContact NZ-OE1 3.73Å; K393-E397 IonicContact NZ-OE2 3.61Å; K393-E397 PolarHBondContact NZ-OE2 3.14Å
394E45.3Very low44.7Very low110 Ų110120.2 Ų120.251%0.51462%0.622SS.*Hα-helixtrans-56.6-36.2180-69.3-173.1122.500113.2L390 G396 E397L390-E394 PolarHBondContact O-N 3.43Å; L390-E394 VanDerWaalsContact O-N 3.07Å; E394-G396 VanDerWaalsContact C-N 3.25Å; E394-G396 PolarHBondContact O-N 3.37Å; E394-E397 PolarHBondContact O-N 3.27Å
395Q41.8Very low42.9Very low153 Ų153118.7 Ų118.772%0.71563%0.629SS**THydrogen-bonded Turntrans-80.8-0.3179.6-64.1-170.9-73.400114.2K391 K393K391-Q395 PolarHBondContact O-N 3.15Å; K393-Q395 PolarHBondContact O-N 3.18Å
396G42.7Very low41.3Very low70 Ų70118.4 Ų118.472%0.72264%0.642SS**THydrogen-bonded Turntrans-98.1-11.916900000114.5K393 E394K393-G396 PolarHBondContact O-N 3.07Å; E394-G396 VanDerWaalsContact C-N 3.25Å; E394-G396 PolarHBondContact O-N 3.37Å
397E42.1Very low40.1Very low128 Ų128119.4 Ų119.460%0.59865%0.649SS**SBendtrans-127.632.7-159.2-154.3166.3-17800113.2K393 E394K393-E397 IonicContact NZ-OE1 3.73Å; K393-E397 IonicContact NZ-OE2 3.61Å; K393-E397 PolarHBondContact NZ-OE2 3.14Å; E394-E397 PolarHBondContact O-N 3.27Å
398N36Very low38.9Very low165 Ų165123.9 Ų123.988%0.88268%0.675SS**SBendtrans-142.445.9174.8-112.3-47000113.1
399G32.6Very low37.8Very low65 Ų65127.9 Ų127.967%0.6769%0.691SS**  trans-148.274.7179.100000112.6
400F29.7Very low36.5Very low185 Ų185126.6 Ų126.681%0.81170%0.696SS**  trans172130.2137.1-113.4-96.7000110.6
401T26.9Very low35.6Very low140 Ų140126 Ų12686%0.85970%0.7SS**  trans-128.8145.3150.949.40000108.8
402T32.3Very low34.5Very low121 Ų121130.1 Ų130.174%0.74273%0.73SS**  trans-107.7157.4-147.4-25.50000113.8
403P28.6Very low33.5Very low114 Ų114127 Ų12774%0.7473%0.731SS**  trans-107.8101.9148.133.8-25.9000112
404R25.4Very low32.4Very low239 Ų239128.3 Ų128.390%0.90274%0.739SS**  trans35.2116.2132.3-179.2-175-174.4155.72.3118.8
405S27.2Very low31.6Very low110 Ų110131.7 Ų131.777%0.76975%0.752SS**  177.1109115.3-176.80000116.1
406A28.2Very low30.9Very low85 Ų85127.5 Ų127.570%0.70274%0.744SS**  trans64.4161.5136.300000123.7
407V31.8Very low30.2Very low121 Ų121133.8 Ų133.873%0.73375%0.751SS**  trans83.5114.6160.2-165.40000117.8
408D30.7Very low29.6Very low150 Ų150131.7 Ų131.780%0.80275%0.751SS**  trans54.5158.8145.9-57.10.6000121.5
409D33.3Very low29.3Very low148 Ų148130 Ų13079%0.79175%0.747SS**  cis-165.5161.7-29.5-172.926.5000109.7
410D30.4Very low29Very low131 Ų131132 Ų13270%0.70176%0.757SS**  trans59152.7154.6-152.633.1000125.8
411S31.7Very low28.9Very low80 Ų80127.8 Ų127.856%0.55976%0.756SS**  trans50.3105.1148.954.30000126.6
412T29.4Very low29.1Very low136 Ų136129.5 Ų129.583%0.83476%0.758SS**  45.8144.8114-13.50000124.9
413A29.3Very low28.8Very low90 Ų90131.4 Ų131.474%0.74476%0.761SS**  trans86.6162.8144.800000119.9
414E25.8Very low28.7Very low154 Ų154136.4 Ų136.472%0.7277%0.765SS**  cis-174.2158.6-42.1-160.7175.7-163.200107.6
415F27.7Very low28.6Very low180 Ų180133.9 Ų133.979%0.78976%0.763SS**  trans61.8171.9173.8-63.5-81.9000118.4
416A27.6Very low28.7Very low66 Ų66136.9 Ų136.955%0.54577%0.765SS.*  -173.3161-58.100000111
417F27.9Very low29Very low201 Ų201138.7 Ų138.788%0.88277%0.77SS**  trans64.8159.7156.6-80.7-59.2000118.1
418S30.1Very low28.7Very low84 Ų84140.8 Ų140.859%0.58777%0.771SS**  cis-157.9160-14.7-165.50000112.3
419T29Very low28.6Very low130 Ų130145.8 Ų145.880%0.79878%0.779SS**  trans22.5134.5147.453.30000123.2
420A25.7Very low28.3Very low108 Ų108144.3 Ų144.389%0.89378%0.775SS**  trans-152.8158.1132.400000111.4
421A28.7Very low28.2Very low95 Ų95150.5 Ų150.579%0.78579%0.789SS**  trans-152162.9175.100000110
422I29.5Very low28.1Very low177 Ų177153.1 Ų153.191%0.90880%0.797SS**  trans178.8174.5149.6-96.2155.6000111.3
423M26.4Very low28Very low160 Ų160150.2 Ų150.279%0.78879%0.794SS**  trans-97.9168.5-156.9-59.3-173.1175.900117.3
424R27.3Very low28.2Very low220 Ų220152.1 Ų152.183%0.8379%0.787SS**  trans43.9128.8140-77.1-178.9175.6-157.90.7119.9
425E23.5Very low28.6Very low186 Ų186154.2 Ų154.287%0.86979%0.788SS**  -170174.490.8-122.5170.9-168.800112.4
426E28.3Very low29.6Very low173 Ų173150.6 Ų150.681%0.80878%0.783SS**  trans-128.4147.9171.4-169.7-173.8-126.400107.5
427P34.8Very low29.6Very low122 Ų122154.2 Ų154.279%0.79280%0.798SS**  -148.9158.3121.236.6-20.2000117.3
428E25Very low29.7Very low165 Ų165150.5 Ų150.577%0.77179%0.792SS**  trans-16.2151.5164.8-51.4-175140.500121.5
429R29.3Very low29.7Very low255 Ų255152.3 Ų152.396%0.96280%0.799SS**  trans-149.3138.4135.4-110.1174.5-166.1-175.74.9112.1
430T27.7Very low29.8Very low117 Ų117154.5 Ų154.572%0.71880%0.8SS**  trans-109.8156.2-177.848.20000112.5
431W27Very low29.9Very low262 Ų262159 Ų15999%0.99280%0.8SS**  trans-155.9149.1148.4-93.7106.2000109.7
432D30Very low29.7Very low135 Ų135158.2 Ų158.272%0.72280%0.801SS**  trans-116158.5-169.2-160.9-31.8000111.6H434D432-H434 IonicContact OD1-CE1 2.7Å; D432-H434 IonicContact OD1-ND1 3.77Å
433G27.4Very low29.7Very low74 Ų74158.8 Ų158.876%0.76380%0.8SS**  trans-159.553.9-161.400000116.7
434H32.7Very low29.7Very low130 Ų130156 Ų15660%0.60280%0.802SS**  trans-24.7153.3164.5-79.219.8000119.9D432D432-H434 IonicContact OD1-CE1 2.7Å; D432-H434 IonicContact OD1-ND1 3.77Å
435R34.3Very low29.7Very low199 Ų199157 Ų15775%0.75181%0.806SS**  cis-163.6-142.1-11.5-152.2-166.1-85.7-136.30.7110.9
436P49.6Very low30.6Very low104 Ų104153.1 Ų153.168%0.67580%0.797SS**  trans-125.5-167.5-140.546.1-26.6000116
437V27.7Very low30.7Very low142 Ų142151.3 Ų151.386%0.86180%0.799SS**  trans-160.9152.1136.8129.20000111.7
438T29.8Very low30.2Very low122 Ų122151.1 Ų151.175%0.74880%0.797SS**  trans-107.2167.7179.549.20000112
439V31Very low30.3Very low123 Ų123151 Ų15175%0.74580%0.8SS**  trans-176.1124.5132.7141.40000114.2
440H29.3Very low30.1Very low176 Ų176146.1 Ų146.182%0.81579%0.793SS**  trans35.8151.7152.7-56.7-55.6000127.6
441F28Very low29.9Very low202 Ų202149.5 Ų149.589%0.88680%0.797SS**  trans-72.6159.9167.9-87.5-122.5000113.5
442G26.2Very low29.9Very low78 Ų78148.4 Ų148.480%0.80479%0.793SS**  trans-139.9124.1155.400000111.2
443Q28.3Very low30Very low190 Ų190147.2 Ų147.289%0.88879%0.792SS**  trans-96.3141.9175-73.1-179.1-42.400111.3
444A26.5Very low30Very low101 Ų101148.9 Ų148.984%0.83579%0.792SS**  trans-146134.5159.600000111.3
445R26.5Very low29.7Very low242 Ų242147.7 Ų147.791%0.91380%0.799SS**  trans-138.4171.6162.7-67.9-176.8165.1-175.4-2.6106.9
446P42.6Very low29.3Very low104 Ų104145.5 Ų145.568%0.67580%0.802SS**  -116.1-165.5-83.237-19.7000109.9
447P30.6Very low28.3Very low134 Ų134144.3 Ų144.387%0.8780%0.801SS**  trans-123.3133.713734.3-28.1000112.2
448T25.6Very low28.1Very low119 Ų119142.7 Ų142.773%0.7380%0.796SS**  trans-105.6142.4169.249.10000110.2
449L25.4Very low27.9Very low163 Ų163143 Ų14385%0.85379%0.793SS**  trans155.4137.7160.3-85158.5000105.4
450L26.3Very low27.4Very low152 Ų152145.1 Ų145.180%0.79679%0.794SS**  cis-139.6-172.111.5-109.5163.8000112.6
451K23.9Very low27.1Very low188 Ų188141.8 Ų141.882%0.81779%0.79SS**  trans-101.7141.1-164.2-55.9169.8177.6173.70115.1
452R26.2Very low26.8Very low238 Ų238137.3 Ų137.390%0.89878%0.784SS**  trans60171.4140.4-91.8-175.1178.3176.1-0.5119.2
453P32.9Very low26.6Very low110 Ų110138.7 Ų138.771%0.71478%0.781SS**  cis-128.9-172.3-13.330-7.7000115
454S27Very low26.4Very low109 Ų109136.2 Ų136.276%0.76277%0.773SS**  trans-54.1174.9158.853.80000114.1
455S26.1Very low26.3Very low106 Ų106138.6 Ų138.674%0.74177%0.767SS**  cis-165.8178.539.261.90000117.4
456N26.4Very low26.1Very low152 Ų152132.4 Ų132.481%0.81376%0.761SS**  trans-63.6-177.2156.6-41.2-37.9000110.9
457A27.4Very low25.3Very low79 Ų79133.4 Ų133.465%0.65377%0.765SS**  cis-163167.78.300000111.8
458S23.7Very low25.1Very low108 Ų108137.5 Ų137.576%0.75576%0.763SS**  trans62.5169.6147680000118.1
459L25.4Very low25.2Very low130 Ų130137.8 Ų137.868%0.68177%0.767SS**  cis-157.9152.59-164.470.9000109.7
460E21.3Very low25.1Very low167 Ų167134.6 Ų134.678%0.7875%0.754SS**  trans58.8158.9151.4-87.7156.4-144.500120.9
461S22Very low25.1Very low105 Ų105137.1 Ų137.173%0.73475%0.753SS**  cis-158.5159.8-5.2550000113.8
462S21.8Very low25.2Very low108 Ų108136.3 Ų136.376%0.75575%0.752SS**  trans73.3147.6139.1-133.60000125.8
463C22.8Very low25.2Very low108 Ų108133.9 Ų133.973%0.7374%0.744SS**  trans70.785.6150-71.30000123.4
464D23.2Very low25Very low137 Ų137134.8 Ų134.873%0.73375%0.748SS**  72.7156.8105.2-117.2-43.7000125.7
465H24.9Very low24.9Very low151 Ų151134.7 Ų134.770%0.69974%0.742SS**  trans77.5102155.3-66.63.2000122.2
466S23.5Very low24.9Very low112 Ų112139.1 Ų139.178%0.78375%0.748SS**  trans73.1159.7133.873.60000118.4
467V25.3Very low25Very low125 Ų125139.2 Ų139.276%0.75875%0.748SS**  cis-145.7153.129.3167.10000111.7
468R25.8Very low25Very low221 Ų221141.1 Ų141.183%0.83476%0.756SS**  trans-90.4148.5163.7-84.2-178.5172.4165-2.7111.8
469P28.1Very low25.2Very low125 Ų125144.9 Ų144.981%0.81276%0.762SS**  trans-117.6167.1134.2-5.325.9000113.6
470T23.3Very low25.2Very low95 Ų95146.9 Ų146.958%0.58377%0.773SS**  trans-146.2138.9-174.343.40000113.4
471R27.1Very low25.6Very low206 Ų206144.2 Ų144.278%0.77777%0.774SS**  trans68.5152.8155.9-66.3176.1176.6-166-3.2114.9
472H25.9Very low25.9Very low171 Ų171145.1 Ų145.179%0.79278%0.78SS**  -157.8176.367.6-86.283000115.5
473Y25.8Very low26.1Very low186 Ų186143.6 Ų143.673%0.72978%0.781SS**  trans-83.8163.8-176.7-76.2-108.8000113.6
474T27.2Very low26.4Very low130 Ų130146.5 Ų146.580%0.79879%0.789SS**  trans-138.7150.7141.5-46.20000109.4
475V26.5Very low26.6Very low106 Ų106148.3 Ų148.364%0.64279%0.793SS**  trans-138142.1177.3173.80000108.2
476F25.4Very low26.6Very low200 Ų200148.4 Ų148.488%0.87780%0.798SS**  trans-147.2159.1158.6-95.4-72.9000111
477L28.3Very low26.7Very low153 Ų153150.4 Ų150.480%0.80180%0.795SS**  trans-118.5158-176.5-65.7165000109.8
478S26.6Very low26.7Very low119 Ų119154 Ų15483%0.83280%0.797SS**  167.4162.3116.1-84.70000112.3
479E29.4Very low26.7Very low187 Ų187150.2 Ų150.287%0.87479%0.792SS**  trans-87.5164.7-178.8-58.3155117.700111.9
480D25.8Very low26.6Very low172 Ų172151 Ų15192%0.9279%0.79SS**  trans-161.2168.7133-125.9-32.1000112.3
481S28.3Very low26.7Very low112 Ų112154.6 Ų154.678%0.78380%0.8SS**  trans-132.4144.1-165.5-1780000114.9
482S28Very low26.7Very low124 Ų124149 Ų14987%0.86779%0.792SS**  trans-160.9157.2157.162.70000111.6
483G26.7Very low26.7Very low76 Ų76148.2 Ų148.278%0.78479%0.793SS**  trans-159.1162.6174.700000110.9
484D28.3Very low26.7Very low168 Ų168145.3 Ų145.390%0.89880%0.799SS**  trans-154.6157176.2-144.3-13000109.6
485E27.6Very low26.6Very low175 Ų175142.7 Ų142.782%0.81880%0.799SS**  trans-103.8172.2-177.3-65-169.4127.800112.8
486L26.7Very low26.5Very low153 Ų153146.6 Ų146.680%0.80181%0.807SS**  164.3118.9125.8-84.3174.8000113.9
487H25.2Very low26.9Very low155 Ų155142.6 Ų142.672%0.71880%0.802SS**  trans49.9106.3141-78.4-102.8000124.6
488Y25.8Very low26.6Very low201 Ų201141.2 Ų141.279%0.78880%0.795SS**  67.6151.1109.1-91.8-78.8000125.6
489D25.1Very low26.6Very low140 Ų140139.9 Ų139.975%0.74979%0.786SS**  trans71.5151.8160.9-53.5-33.1000120.7
490D24.9Very low26.4Very low143 Ų143140.5 Ų140.577%0.76579%0.786SS**  cis-163.9178.6-48.9-163.79.8000108.4
491E26.6Very low26.3Very low169 Ų169139.9 Ų139.979%0.7978%0.781SS**  trans68.7157.4166.7-63.4-164.9153.600119.5
492S26.9Very low26.1Very low88 Ų88143.6 Ų143.662%0.61578%0.784SS**  cis-162.7147.6-40.262.80000112.3
493I25.8Very low25.9Very low156 Ų156143.1 Ų143.180%0.878%0.78SS**  trans46.5111141.8-62.5165.4000120.4
494S24.9Very low25.7Very low124 Ų124145.5 Ų145.587%0.86778%0.78SS**  148.2150.9114.657.80000116.1
495G25.1Very low25.5Very low76 Ų76143.3 Ų143.378%0.78478%0.775SS**  trans115.562.5147.300000121.2
496F25.7Very low25.4Very low187 Ų187145 Ų14582%0.8278%0.78SS**  trans-69.4149.2151.5-80.9-87000109.9
497P32.9Very low25.2Very low117 Ų117145.1 Ų145.176%0.7678%0.781SS**  -125.4142.366.29.414.7000113.5
498D23.6Very low25.4Very low123 Ų123146.5 Ų146.566%0.65878%0.781SS**  77.5110.172.5-80-40.4000117.2
499S25.6Very low25.4Very low92 Ų92142.2 Ų142.264%0.64378%0.78SS**  trans50.5119.4142.969.90000121.5
500F25.3Very low26.1Very low200 Ų200140.3 Ų140.388%0.87778%0.775SS**  trans-134117.3136.7-86.3-78.5000110.2
501L23.2Very low26.3Very low158 Ų158140 Ų14083%0.82777%0.773SS**  trans-95134.3175.9-69.6169.2000110.3
502F24.9Very low26.7Very low191 Ų191137.4 Ų137.484%0.83877%0.77SS**  trans-133.1114.8162.5-83.8-79.1000109.8
503S22.9Very low26.9Very low113 Ų113138.4 Ų138.479%0.7977%0.765SS**  trans-120.5125.2173.1-61.90000109.3
504T23.2Very low27.2Very low127 Ų127135.4 Ų135.478%0.77976%0.756SS**  trans-127.4126.7170.447.90000109.2
505P24Very low27.6Very low121 Ų121131.8 Ų131.879%0.78672%0.723SS**  trans-83.1141.7-178.332.7-33.9000111.5
506F24.6Very low27.9Very low211 Ų211137.4 Ų137.493%0.92572%0.721SS**  trans-138.9150.2160.6-99.9-84.8000109.6
507D24Very low28.1Very low155 Ų155132.1 Ų132.183%0.82971%0.707SS**  trans-116.6166.9-151.6-149.9-11000114.5
508W29.4Very low27.9Very low185 Ų185133.2 Ų133.270%0.70171%0.706SS**  trans-91.4167.4-153.3-92.786.5000117.8I82I82-W508 HydrophobicContact CD1-CH2 4.13Å; I82-W508 HydrophobicContact CD1-CZ2 4.47Å
509S25.7Very low28.2Very low110 Ų110136.3 Ų136.377%0.76971%0.714SS**  trans-149.8147.8143.7-78.60000111.1
510P39.8Very low28.3Very low100 Ų100141 Ų14165%0.64973%0.726SS**  trans-125.8168-140.940.5-26.7000117.4
511L28.7Very low28.4Very low138 Ų138138.5 Ų138.572%0.72373%0.726SS**SBendtrans-102.4168.9163.3-95.9135000110.2
512P33.8Very low28.6Very low113 Ų113139 Ų13973%0.73472%0.724SS**  trans-69143.5-160.726.7-35000114.3
513Q32.3Very low28.6Very low109 Ų109138.4 Ų138.451%0.50973%0.729SS.*  trans-114.8135.6-175-61.3-172.4-2.200112.2Y515Q513-Y515 VanDerWaalsContact C-N 3.35Å; Q513-Y515 PolarHBondContact O-N 3.01Å
514P32.7Very low28.7Very low93 Ų93138.4 Ų138.460%0.60472%0.719SS**SBendtrans-89.515.8175.834.5-33.5000114.7
515Y31.7Very low29.2Very low48 Ų48138.7 Ų138.719%0.18872%0.716CS.*  trans-140.9121.6-179.8-77.7-91.7000112.1K23 Y164 W165 Q166 Q513K23-Y515 PolarHBondContact NZ-O 3.15Å; Y164-Y515 WeakPolarHBondContact CB-OH 3.43Å; W165-Y515 PolarHBondContact O-OH 3.26Å; Q166-Y515 VanDerWaalsContact OE1-CE1 3.28Å; Q513-Y515 VanDerWaalsContact C-N 3.35Å; Q513-Y515 PolarHBondContact O-N 3.01Å
516R32.7Very low29.4Very low194 Ų194136.4 Ų136.473%0.73270%0.697SS**  trans-141.5101.9164.1-81.4-169.3165.9-154.3-4.6110.1Q307Q307-R516 PolarHBondContact OE1-O 3.06Å
517S28.2Very low29.5Very low76 Ų76134.7 Ų134.753%0.53168%0.684SS.*  trans-71.6142.4175.750.90000112
518L29.1Very low29.6Very low141 Ų141129.7 Ų129.774%0.73867%0.669SS**  trans-82.5130.2162.7-86.6164.6000109.3
519K30Very low29.6Very low188 Ų188130 Ų13082%0.81768%0.683SS**  trans-124.4101.9164-107.7-171.1176.2-179.40109.2
520E27.9Very low29.6Very low190 Ų190128.4 Ų128.489%0.88869%0.685SS**  trans-141.893.4155.7-83.2-167.4167.600109.1
521V28.7Very low29Very low148 Ų148128.4 Ų128.490%0.89769%0.693SS**  trans-139.6144.6130.5179.80000105.9
522E26.6Very low28.8Very low168 Ų168131 Ų13179%0.78570%0.702SS**  trans-73.6136.2-176.9-61.2167.1113.200112.2
523L24.5Very low28.4Very low178 Ų178130.3 Ų130.393%0.93270%0.7SS**  trans-147.4143.4134.9-106.8171.3000107.8
524I26Very low28.1Very low113 Ų113132.6 Ų132.658%0.57972%0.715SS**  trans-103.8112.1-156.2-66.2174.3000111.1
525D33.2Very low27.7Very low133 Ų133134.9 Ų134.971%0.71173%0.727SS**  trans-49.4147.3158.3-82.5-50.9000111K387K387-D525 WeakPolarHBondContact CE-O 3.33Å; K387-D525 PolarHBondContact NZ-O 2.71Å
526D28.8Very low27.3Very low73 Ų73136.7 Ų136.739%0.3975%0.752SS.*  -172.5129.8114.6-129.640.6000114.5K387 K391K387-D526 WeakPolarHBondContact CE-OD1 3.45Å; K387-D526 VanDerWaalsContact NZ-CG 3.26Å; K387-D526 IonicContact NZ-OD1 3.8Å; K387-D526 PolarHBondContact NZ-OD1 2.74Å; K391-D526 VanDerWaalsContact CE-OD2 3.3Å; K391-D526 WeakPolarHBondContact CE-OD2 3.21Å; K391-D526 IonicContact NZ-OD2 3.4Å; K391-D526 PolarHBondContact NZ-OD2 3.3Å
527R24.9Very low27.1Very low176 Ų176133.2 Ų133.266%0.66475%0.754SS**  -150.584.6110.6-133.1170.6-69.6-113.7-5.5112.1
528G26.7Very low27.2Very low50 Ų50135.2 Ų135.252%0.51577%0.766SS.*  trans-67.8158.8164.900000113
529L30.6Very low26.9Very low190 Ų190134.2 Ų134.2100%0.99577%0.77SS**  trans-64.5159.6-177.1-68.3130.7000114.5
530G24.3Very low27.3Very low78 Ų78130.5 Ų130.580%0.80477%0.765SS**  trans-161.1131.6159.600000109.5
531A27.3Very low27.2Very low99 Ų99127.7 Ų127.782%0.81876%0.761SS**  trans-137.1138.1-177.900000110.3
532E25.4Very low27.1Very low193 Ų193126.6 Ų126.690%0.90276%0.755SS**  trans-166.2144.8146.7-119.9173.7-149.900113.5
533S24.6Very low27.2Very low99 Ų99127.3 Ų127.369%0.69276%0.758SS**  trans74.6122.4153.2-120.90000122.8
534L25.8Very low27.3Very low157 Ų157128.9 Ų128.982%0.82276%0.757SS**  trans65.897.1145.7-63.3164.4000120.5
535T24.9Very low27.3Very low140 Ų140133.1 Ų133.186%0.85977%0.772SS**  162.3146.4104.9-61.20000110.8
536A24.1Very low27.1Very low86 Ų86131.9 Ų131.971%0.71177%0.774SS**  trans-93.4169178.800000112.2
537P27.9Very low26.9Very low121 Ų121135.4 Ų135.479%0.78679%0.793SS**  cis-127.2171.84.642.3-28.1000115.4
538P29.1Very low27.1Very low119 Ų119132.4 Ų132.477%0.77379%0.793SS**  trans-107.6137179.137.2-29.9000115.1
539S24.1Very low27.1Very low119 Ų119136.9 Ų136.983%0.83281%0.806SS**  trans173156.9156.1-83.20000111.1
540P38Very low27.3Very low110 Ų110135.2 Ų135.271%0.71480%0.797SS**  cis-140.3124-48.435.7-17000113.7
541V25.8Very low27.9Very low132 Ų132138.9 Ų138.980%0.880%0.797SS**  trans-146.9105.6168.8-175.80000106.5
542T27.6Very low28.1Very low124 Ų124137.2 Ų137.276%0.76179%0.79SS**  60.976.267.872.90000115.8
543E26.8Very low28.3Very low183 Ų183135.9 Ų135.986%0.85579%0.789SS**  trans-122.8160.5150.3-72.4-157.4131.900110.7
544K27.8Very low29.1Very low211 Ų211136.7 Ų136.792%0.91778%0.784SS**  trans-106.6125.8-159.6-60.2171-176.4172.80111.4
545F25.8Very low29.4Very low203 Ų203135.3 Ų135.389%0.8977%0.772SS**  trans-81.9126.3166-75.7-85.6000110.7
546S28.3Very low29.5Very low107 Ų107132.3 Ų132.375%0.74877%0.769SS**  trans-83.3107.1167.7520000109.8V548S546-V548 PolarHBondContact O-N 2.7Å
547N25.2Very low29.7Very low147 Ų147134.6 Ų134.679%0.78678%0.778SS**  trans-64.6128.8168.9-76.5-24.9000109.9
548V28.6Very low29.7Very low112 Ų112138 Ų13868%0.67978%0.783SS**  trans-109.596.4172.3-179.60000108S546 L550S546-V548 PolarHBondContact O-N 2.7Å; V548-L550 VanDerWaalsContact C-N 3.28Å; V548-L550 HydrophobicContact CG1-CD1 4.17Å; V548-L550 HydrophobicContact CG1-CG 4.15Å; V548-L550 PolarHBondContact O-N 2.96Å
549N27.3Very low29.7Very low145 Ų145139.8 Ų139.878%0.77579%0.787SS**  trans-76.778.4177.6-75.36.5000110.6L551N549-L551 VanDerWaalsContact C-N 3.27Å; N549-L551 PolarHBondContact O-N 3.3Å
550L33.8Very low29.8Very low155 Ų155141.5 Ų141.581%0.81278%0.782SS**THydrogen-bonded Turntrans-74.576.6171.7-99.7161.6000110.9V548V548-L550 VanDerWaalsContact C-N 3.28Å; V548-L550 HydrophobicContact CG1-CD1 4.17Å; V548-L550 HydrophobicContact CG1-CG 4.15Å; V548-L550 PolarHBondContact O-N 2.96Å
551L37.9Very low29.6Very low154 Ų154141.9 Ų141.981%0.80678%0.784SS**THydrogen-bonded Turntrans-178.434.3156.7-101.5162.7000112.5N549 I554N549-L551 VanDerWaalsContact C-N 3.27Å; N549-L551 PolarHBondContact O-N 3.3Å; L551-I554 HydrophobicContact CD2-CD1 3.97Å
552G30.7Very low29.5Very low64 Ų64143.5 Ų143.566%0.6678%0.783SS**  trans-82.9-44.3-175.900000115.7
553D29.6Very low29.3Very low166 Ų166144 Ų14489%0.88879%0.79SS**  trans-114.290.4-166-61-65.6000112.5
554I41.1Very low29.2Very low116 Ų116144.1 Ų144.160%0.59579%0.79SS**  trans-135.2131165.2-47.8-178.6000108.2L551L551-I554 HydrophobicContact CD2-CD1 3.97Å
555F33.3Very low29.7Very low127 Ų127139.1 Ų139.156%0.55778%0.779SS**  trans75.683.9-175-51.6-69.4000116.5A35 H36A35-F555 VanDerWaalsContact O-CZ 3.28Å; A35-F555 WeakPolarHBondContact O-CZ 3.44Å; H36-F555 AromaticContact ND1-CD1 3.87Å; H36-F555 AromaticContact ND1-CG 3.97Å
556G26.3Very low29.7Very low78 Ų78137.2 Ų137.280%0.80478%0.777SS**  trans-156.7100.4161.400000111
557C27.8Very low29.5Very low134 Ų134137.6 Ų137.691%0.90578%0.775SS**  trans-106.1121168.5-67.30000109.2
558Q28.7Very low29.7Very low191 Ų191138.4 Ų138.489%0.89378%0.778SS**  trans-143.3162.6155.9-79.7-155.4-21.300109.4
559D28.3Very low29.7Very low157 Ų157137.2 Ų137.284%0.8478%0.78SS**  trans-84.8156.2-153.8-52.4-91.4000115.9
560E27.7Very low29.8Very low156 Ų156140.4 Ų140.473%0.72979%0.787SS**  trans-57.9150161.6-94.3-79.9140.500111.4E562E560-E562 PolarHBondContact OE2-N 3.47Å
561P32.2Very low29.4Very low118 Ų118138.4 Ų138.477%0.76679%0.786SS**  -147.6130.89035.8-17.8000117.5
562E24.6Very low28.9Very low165 Ų165137.4 Ų137.477%0.77178%0.781SS**  trans31.3116.6138.1-64-166.513100119.2E560E560-E562 PolarHBondContact OE2-N 3.47Å
563C24.5Very low28.9Very low134 Ų134142 Ų14291%0.90579%0.785SS**  -167.8135.2117.4-100.20000113.8
564Q23.3Very low28.9Very low186 Ų186140.4 Ų140.487%0.86978%0.777SS**  trans-115.4175.7158.7-64.6-169.17.200108.5
565P38.4Very low28.2Very low106 Ų106140.3 Ų140.369%0.68878%0.777SS**  cis-126-179.1-9.237.9-22.4000112.9
566I25.6Very low27.9Very low164 Ų164144.8 Ų144.884%0.84179%0.79SS**  179160128.8-93.5159.6000111.9
567T24.2Very low28.2Very low115 Ų115147.3 Ų147.371%0.70679%0.79SS**  trans-89.4163.8-162.442.60000117.5
568L30Very low28.4Very low163 Ų163146.1 Ų146.185%0.85378%0.78SS**  trans85.1118144.7-80.2158.2000123.1
569A28.7Very low28.3Very low87 Ų87145.2 Ų145.272%0.71977%0.774SS**  78.2116.3128.100000124.3
570K28.6Very low28.1Very low212 Ų212142.4 Ų142.492%0.92276%0.758SS**  trans22.7117.9137.9-62-177.5176.9-176.80122.1
571S26.6Very low28Very low113 Ų113144.8 Ų144.879%0.7977%0.767SS**  -178.5125.5129.2-164.80000106.6
572L27.2Very low27.7Very low133 Ų133142.3 Ų142.370%0.69676%0.763SS**  70.6122.257.2-163.178000114
573E30.1Very low27.8Very low162 Ų162143.6 Ų143.676%0.75777%0.769SS**  trans69.4144.7163.3-86.2152.2-141.600117.8
574D29.3Very low27.8Very low132 Ų132145.8 Ų145.871%0.70677%0.771SS**  cis-162.1-1791.9-155.9-4.4000113.1
575L26.5Very low27.8Very low113 Ų113145.5 Ų145.559%0.59277%0.77SS**  trans70.999.8145.5-80.6167.6000122.2
576R27.4Very low27Very low221 Ų221144 Ų14483%0.83477%0.766SS**  157.2141.6101.2-89.5156-169.5160.67.3116
577T32.1Very low26.8Very low131 Ų131144.4 Ų144.480%0.80476%0.762SS**  trans-91.6162.7153.356.90000110
578P32.6Very low26.7Very low109 Ų109147.6 Ų147.671%0.70877%0.766SS**  -153158.998.841.2-24.5000116.9
579K26.5Very low26.5Very low173 Ų173146 Ų14675%0.75276%0.763SS**  36.5154.9129.2-59.6-176.2153.8-82.30121.9
580D24.6Very low26.2Very low97 Ų97151.6 Ų151.652%0.51977%0.771SS.*  cis-172.4168.3-15.7-92.9-20.1000107.3
581F25.7Very low26Very low206 Ų206150.4 Ų150.490%0.90477%0.769SS**  trans68.8146.3164.2-60.4-69.7000118.2
582G25.1Very low25.8Very low67 Ų67153.9 Ų153.969%0.69177%0.765SS**  cis-169.8167.1-1.900000114.3
583E26.9Very low25.6Very low192 Ų192155.2 Ų155.290%0.89777%0.772SS**  trans-69.5149.8175.2-58.9172.2101.400111.8
584L25Very low25.3Very low180 Ų180152.4 Ų152.494%0.94276%0.762SS**  trans-150.4157.3137-114.7171.4000110.7
585Q22.2Very low25.2Very low180 Ų180154.4 Ų154.484%0.84177%0.772SS**  trans-121.2151-154.3-167.9-171.860.900111.6
586A22.8Very low25.1Very low73 Ų73154.1 Ų154.160%0.60378%0.779SS**  trans122.7124.4133.700000119.4
587K21.5Very low25Very low174 Ų174151.8 Ų151.876%0.75778%0.782SS**  91.2138.3127.1-84.1172.1-180174.90121.9
588F21.2Very low24.8Very low182 Ų182150.9 Ų150.980%0.79878%0.781SS**  trans67.9145.4167.4-53.2-62.6000115.5
589T24.9Very low24.5Very low128 Ų128155.1 Ų155.179%0.78579%0.791SS**  cis-142.8141.73.6-280000110.4
590F23Very low24.6Very low206 Ų206154.3 Ų154.390%0.90480%0.795SS**  trans-95.4125.5164.2-104.8-85.1000109.4
591Q23.7Very low24.8Very low187 Ų187154.5 Ų154.587%0.87480%0.804SS**  trans-114.8123.1160.7-169.9167.53.900108.2
592R23.6Very low25.1Very low186 Ų186156.4 Ų156.470%0.70281%0.805SS**  trans-120.8136.7-172.2175.1177.5174.6146.54.9108.4D594R592-D594 IonicContact CZ-OD2 3.12Å; R592-D594 IonicContact NE-OD1 2.74Å; R592-D594 IonicContact NE-OD2 2.91Å; R592-D594 PolarHBondContact NE-OD2 3.16Å; R592-D594 IonicContact NH2-OD1 3.14Å; R592-D594 PolarHBondContact NH2-OD1 2.89Å; R592-D594 IonicContact NH2-OD2 3.92Å; R592-D594 PolarHBondContact NH2-OD2 2.87Å
593L22.9Very low25.2Very low160 Ų160159.2 Ų159.284%0.83881%0.809SS**  trans-131.699.1169.3-138.792.1000108.6
594D24.3Very low25.5Very low104 Ų104157.6 Ų157.656%0.55681%0.805SS**  trans-85149.9163.5-66.9-57.4000109.1R592R592-D594 IonicContact CZ-OD2 3.12Å; R592-D594 IonicContact NE-OD1 2.74Å; R592-D594 IonicContact NE-OD2 2.91Å; R592-D594 PolarHBondContact NE-OD2 3.16Å; R592-D594 IonicContact NH2-OD1 3.14Å; R592-D594 PolarHBondContact NH2-OD1 2.89Å; R592-D594 IonicContact NH2-OD2 3.92Å; R592-D594 PolarHBondContact NH2-OD2 2.87Å
595L27Very low25.8Very low174 Ų174155.2 Ų155.291%0.91180%0.8SS**  trans-130.1118.3149-79.2179.1000109.3
596S24.9Very low26Very low106 Ų106149.3 Ų149.374%0.74179%0.788SS**  trans-96.5145.8-179.853.50000111.5
597I25.1Very low26.2Very low173 Ų173153.8 Ų153.889%0.88780%0.801SS**  trans-133.1116.1161.3-60.1-178.2000109.4
598S26.5Very low26.3Very low112 Ų112155.3 Ų155.378%0.78381%0.808SS**  trans-156.3114.7159.855.30000109.9
599E26.4Very low26.7Very low197 Ų197154.5 Ų154.592%0.92181%0.811SS**  trans-139.8152168.4-76.6-155.9133.100109.8
600N28.5Very low26.7Very low156 Ų156153.3 Ų153.383%0.83481%0.808SS**  trans-152.4139.8179.2-157.3-6.7000112.2
601S29.9Very low27.1Very low101 Ų101150.4 Ų150.471%0.70680%0.802SS**  trans67.7115.3169.775.80000120.2
602R30.8Very low27.9Very low247 Ų247146.3 Ų146.393%0.93279%0.791SS**  -167.2170.2122.6-101.1166.1-166.8-148.22.1110.4
603T27.5Very low27.9Very low125 Ų125147.1 Ų147.177%0.76780%0.796SS**  trans-125.4131.5-147.850.70000116.8
604L32.7Very low28.2Very low159 Ų159145.2 Ų145.283%0.83279%0.786SS**  trans60.6156.5149.4-72.4170.1000117.7
605P32Very low28.5Very low129 Ų129148.6 Ų148.684%0.83880%0.796SS**  cis-105.7-175.424.642-35.8000114.3
606G26.3Very low28.6Very low57 Ų57148.2 Ų148.259%0.58879%0.794SS**  cis146.9121.1-11.100000114.2
607L26.9Very low28.7Very low167 Ų167146.6 Ų146.687%0.87480%0.795SS**  trans59.7118.2164.5-62.6172.6000120.4
608K23.2Very low28.9Very low205 Ų205144 Ų14489%0.89179%0.792SS**  -151.7121.3110.5-120179.1-177-178.60113
609L31.2Very low28.9Very low166 Ų166146.9 Ų146.987%0.86980%0.797SS**  trans-124.3135.7167.6-89.2168.8000108.5
610S25.1Very low28.8Very low102 Ų102140.7 Ų140.771%0.71379%0.786SS**  trans-168.7117.4174.549.70000107.5
611N29.9Very low28.8Very low146 Ų146142.7 Ų142.778%0.78179%0.791SS**  cis64140.617-13114.2000113
612P41Very low28.7Very low101 Ų101145.8 Ų145.866%0.65679%0.794SS**  cis-136.1-169.2643-24.1000115.8
613Y23.4Very low29Very low203 Ų203139.1 Ų139.180%0.79678%0.783SS**  trans2148.3147.4-75.9-79.6000119.3
614N29.6Very low29Very low119 Ų119137.2 Ų137.264%0.63677%0.774SS**  cis-172.9152.337.1-135.1-31.1000114.7
615K30.3Very low28.7Very low176 Ų176136.4 Ų136.477%0.76577%0.77SS**  trans47.8123.7137.9-90.9177.2-178.1-177.80125.2
616L29.9Very low28.5Very low165 Ų165137.4 Ų137.486%0.86477%0.767SS**  92.9105.4113.2-159.784.8000122.1
617G25.9Very low29.2Very low73 Ų73139.9 Ų139.975%0.75377%0.773SS**  trans80.5166.5146.600000118.4
618S29.3Very low29.1Very low118 Ų118138.2 Ų138.283%0.82577%0.769SS**  cis-168.7155.7-18.9-151.90000112.3
619L26.5Very low29.1Very low172 Ų172133.6 Ų133.690%0.90176%0.762SS**  trans68.1131146.3-167.766.1000122.2
620G26.1Very low28.7Very low67 Ų67132.5 Ų132.569%0.69176%0.761SS**  trans106.5141.9158.300000115.5
621Q27.3Very low30Very low199 Ų199133.2 Ų133.293%0.9376%0.763SS**  cis-159.4151.6-11.5-144167.819.100108.9
622E27.7Very low30.6Very low166 Ų166131.7 Ų131.778%0.77676%0.761SS**  trans-84.1166.8177.7-148.4-157.4-95.400111.7S624E622-S624 PolarHBondContact OE2-N 3.1Å
623P37.1Very low29.9Very low106 Ų106131 Ų13169%0.68876%0.764SS**  -158.6142.993.640.1-19.7000119.3
624S27.9Very low30Very low85 Ų85127 Ų12759%0.59477%0.765SS**  73160.4126.583.40000121.9E622E622-S624 PolarHBondContact OE2-N 3.1Å
625I25.5Very low29.8Very low143 Ų143127 Ų12773%0.73377%0.765SS**  cis-166.9134-16.2-111172.2000111.9
626L28.2Very low29.6Very low150 Ų150128.4 Ų128.479%0.78577%0.765SS**  trans52.2175.2144.1-59.6-178.5000123
627P41.9Very low30.4Very low108 Ų108125.3 Ų125.370%0.70176%0.755SS**  cis-139.2-162.4-49.638.4-19.7000114.7
628V24.2Very low31Very low133 Ų133128.2 Ų128.281%0.80676%0.761SS**  trans127.9149.2149.7-179.20000114.5
629C22.9Very low30.8Very low108 Ų108127.9 Ų127.973%0.7376%0.758SS**  trans-136.9169.8-162.6-53.10000114.7
630V23Very low30.8Very low142 Ų142125.7 Ų125.786%0.86175%0.752SS**  trans74.8159.5161.4-94.40000119.6
631P52.7Low30.8Very low117 Ų117130.4 Ų130.476%0.7676%0.756SS**  trans-123.6-138.4-140.432.7-4.8000111.8
632P42.4Very low30.7Very low114 Ų114127.7 Ų127.774%0.7475%0.747SS**  cis-147.8-176.6-1.946.7-26.1000120.2
633A26.7Very low30.9Very low87 Ų87125.2 Ų125.272%0.71975%0.745SS**  trans82.1161.3143.300000123.8
634C25.6Very low30.4Very low120 Ų120125.3 Ų125.381%0.81174%0.744SS**  trans74.1162.7157-77.50000119.5
635D24.7Very low30.2Very low117 Ų117130 Ų13063%0.62676%0.756SS**  cis-176171.5-31-130.721.5000108.3
636R26Very low30.1Very low207 Ų207130.3 Ų130.378%0.78176%0.756SS**  cis-150.4-127.1-7.4-146.4-175.5-175.684.70.6112.3
637P46.1Very low29.9Very low99 Ų99130.9 Ų130.964%0.64376%0.755SS**  trans-112.8-169.5-167.446.9-31.8000115.5
638P39.6Very low29Very low134 Ų134130.2 Ų130.287%0.8775%0.753SS**  -141.8-175.888.940-23.4000116.4
639S25.6Very low28.9Very low111 Ų111129.3 Ų129.378%0.77675%0.752SS**  trans-134.4160.2-162.9-38.70000114.6
640V26.8Very low29Very low127 Ų127129.2 Ų129.277%0.7775%0.752SS**  trans-176.3117.2155.9137.50000107.7
641Q25.1Very low29.9Very low165 Ų165127.8 Ų127.877%0.77175%0.745SS**  61.6109.688.2-68.4-173.5-19.800115.2
642L24.6Very low28.6Very low142 Ų142130.1 Ų130.174%0.74375%0.751SS**  86.5139.877.5-90.3165.3000113.9V644L642-V644 HydrophobicContact CD2-CG2 4.01Å
643P32.6Very low27.8Very low114 Ų114129.7 Ų129.774%0.7475%0.749SS**  -126.1162.261.338.8-25.4000116
644V26.2Very low27.7Very low109 Ų109133.9 Ų133.966%0.66175%0.754SS**  54.513170-140.20000112.9L642L642-V644 HydrophobicContact CD2-CG2 4.01Å
645Q24.2Very low27.8Very low182 Ų182133.1 Ų133.185%0.8575%0.75SS**  cis-128.7163.620.9-73.1167.5-65.400111.5
646M23.9Very low27.9Very low150 Ų150134 Ų13474%0.73977%0.765SS**  cis101.7138.422.4-172.4161.9172.500115
647E23.9Very low27.8Very low162 Ų162127.2 Ų127.276%0.75776%0.76SS**  trans68.6172.7175.6-73.8161.4-158.300118.7
648S22.6Very low26.9Very low94 Ų94130.8 Ų130.866%0.65777%0.772SS**  -170.5156.1-79.653.60000112.2
649C22Very low26.3Very low115 Ų115128.5 Ų128.578%0.77776%0.764SS**  trans63.7113.2161.4-61.30000120.2
650S23.9Very low26.5Very low106 Ų106128.9 Ų128.974%0.74176%0.761SS**  28.3166.4116.174.30000122.2
651P42.8Very low26.4Very low111 Ų111129.7 Ų129.772%0.72176%0.761SS**  cis-143-163.24.932.4-6.8000115.8
652L24.7Very low26.5Very low166 Ų166127.6 Ų127.687%0.86977%0.765SS**  trans103.2165.1134.4-132.964.8000121.1
653C25.5Very low26.6Very low105 Ų105128 Ų12871%0.70977%0.767SS**  trans-111.4175.7-157.3-64.40000115
654E24.5Very low26.3Very low176 Ų176129.2 Ų129.282%0.82277%0.767SS**  trans75.699.6145.4-82.2170.416300121.2
655S28.2Very low27.3Very low103 Ų103129.1 Ų129.172%0.7277%0.769SS**  44.8120.3125.7630000121.8
656S26.6Very low27.7Very low135 Ų135124.9 Ų124.994%0.94476%0.759SS**  trans-161166133.7-830000110
657G24.5Very low28.2Very low65 Ų65122.3 Ų122.367%0.6775%0.752SS**  trans-136.3-155.2178.500000112.5
658I27.5Very low28.6Very low175 Ų175124.1 Ų124.190%0.89776%0.758SS**  trans77.7137.4178.6-55.5172.6000113.6
659A26.5Very low29.2Very low85 Ų85122.7 Ų122.770%0.70276%0.758SS**  cis-172.6-156.8-21.800000109.4
660V29.5Very low29.8Very low119 Ų119124.3 Ų124.372%0.72176%0.759SS**  trans107.197.9152.3-170.40000118.6
661D25.8Very low30.5Very low144 Ų144126.6 Ų126.677%0.7776%0.761SS**  38.1143126-44.8-20.4000124.4
662S26.4Very low29.8Very low121 Ų121127.6 Ų127.685%0.84677%0.766SS**  trans-149.4158.6130.660.70000110.3
663L27.8Very low30.4Very low150 Ų150127.1 Ų127.179%0.78576%0.763SS**  trans-142.6143.3-163.5-97.4166.9000113.6
664D24.6Very low31.8Very low140 Ų140126.9 Ų126.975%0.74976%0.759SS**  trans65.3177.3149.4-110-15.7000118S666D664-S666 PolarHBondContact OD1-N 3.41Å
665P47.5Very low32.2Very low108 Ų108127.9 Ų127.970%0.70176%0.756SS**  cis-130.514214.438.1-19000120.8
666S33Very low33.4Very low92 Ų92128.1 Ų128.164%0.64376%0.755SS**  trans68.7176.3139.174.10000118.2D664D664-S666 PolarHBondContact OD1-N 3.41Å
667T34.8Very low33.7Very low96 Ų96129.2 Ų129.259%0.58975%0.745SS**  cis-159.2157.523.8-310000113.6
668F32.7Very low34.1Very low200 Ų200129.4 Ų129.488%0.87775%0.746SS**  trans71.9157.4170-54.7-67000117.7
669G33.7Very low34.5Very low65 Ų65132.9 Ų132.967%0.6775%0.748SS**  cis172.8-178.7-8.700000116.1
670N35.2Very low34.7Very low148 Ų148137 Ų13779%0.79175%0.751SS**  trans51.564.7160.8-632.4000122
671I39.8Very low34.9Very low154 Ų154136.9 Ų136.979%0.7975%0.75SS**  53.3124.8115.6-57.4163.9000120.7
672T27.4Very low35.9Very low132 Ų132135.1 Ų135.181%0.8175%0.747SS**  -177143.6120.3-70.60000112.1
673I37.2Very low36.1Very low157 Ų157137.9 Ų137.981%0.80575%0.746SS**  trans-161.4162-166.4-96.2169.9000107.5
674P55.7Low36.2Very low99 Ų99139 Ų13964%0.64375%0.752SS**  cis-140.3-179.711.541.6-22.4000119.3
675R31.4Very low36.2Very low197 Ų197135 Ų13574%0.74374%0.743SS**  trans73.8167.9141.1-87.8174.9-160.8-16712.2120.7H677R675-H677 PolarHBondContact NH1-NE2 3.26Å
676P53.5Low35.3Very low109 Ų109136.4 Ų136.471%0.70875%0.75SS**  cis-137.41541940.4-21.2000121.6
677H33.1Very low34.8Very low158 Ų158137.8 Ų137.873%0.73175%0.754SS**  trans39.9147.5140-60.8-68.2000125.6R675R675-H677 PolarHBondContact NH1-NE2 3.26Å
678G32.6Very low34.3Very low68 Ų68140.3 Ų140.370%0.70176%0.764SS**  trans-148.3-159174.200000114.3
679R36.5Very low33.9Very low248 Ų248137.1 Ų137.194%0.93676%0.76SS**  trans-174.7179.2179.4-106152.7-179.2169.50.1109.9
680K31.2Very low34.6Very low173 Ų173138.7 Ų138.775%0.75276%0.759SS**  cis-158.7112.616.6-159.1-137.3164.8-167.60116
681T33.7Very low34.4Very low115 Ų115137.2 Ų137.271%0.70676%0.757SS**  trans64.5159.5146.653.40000123.8
682P46.9Very low33.6Very low108 Ų108135.4 Ų135.470%0.70175%0.754SS**  trans-138.7-167.7-158.446.3-26.6000117.4
683E30.3Very low33.4Very low178 Ų178134.9 Ų134.983%0.83275%0.75SS**  trans60.1136.6151.6-77.1-176.6-114.600123.9
684L29.6Very low33Very low174 Ų174135.2 Ų135.291%0.91175%0.748SS**  -171.5166.9128.1-111.6166.1000112.6
685G25.5Very low31.4Very low55 Ų55136.7 Ų136.757%0.56775%0.748SS**  trans-157.4-157.6175.500000113.5
686T27Very low31.1Very low138 Ų138137.7 Ų137.785%0.84775%0.752SS**  trans74.1137.9171.326.60000121.5
687V24.3Very low29.9Very low121 Ų121136.7 Ų136.773%0.73375%0.747SS**  trans90.7102138.3167.30000122.5
688L22.9Very low29.6Very low150 Ų150138.1 Ų138.179%0.78575%0.751SS**  59.1129127-57.3179000125.3
689V24.8Very low29.2Very low132 Ų132140.8 Ų140.880%0.875%0.754SS**  85.2149.6129.7165.50000118.5
690P48.4Very low28.8Very low98 Ų98135 Ų13564%0.63675%0.752SS**  trans-112.4-175.8-143.543.8-36.1000116.1
691P31.7Very low28.6Very low118 Ų118129.6 Ų129.677%0.76675%0.745SS**  -134.2163.5104.438.7-29000113.4
692T22.2Very low28.4Very low116 Ų116132.3 Ų132.371%0.71276%0.755SS**  cis82.6129.532.8-18.80000116.4
693V23.3Very low27.4Very low121 Ų121130.3 Ų130.373%0.73375%0.754SS**  trans66.3116.4166.2-177.60000115.8
694Q27.7Very low27.3Very low163 Ų163131.2 Ų131.276%0.76276%0.759SS**  cis75.8106.942.9-167.3-160.372.500115.8
695M23.1Very low27.2Very low131 Ų131126.4 Ų126.465%0.64575%0.751SS**  trans-164.1132148.1-88.5-6391.600107.7
696R25.5Very low27.3Very low218 Ų218135 Ų13582%0.82377%0.766SS**  67.8141.174.8-117-171.8-168.5161.42.9112.4
697S26.8Very low27.2Very low87 Ų87134.4 Ų134.461%0.60876%0.762SS**  cis-170.1-176.928.5600000114.2
698K27.4Very low27.6Very low188 Ų188134.7 Ų134.782%0.81777%0.765SS**  trans79.7141.3156.5-75.8176.8-179.8-179.10118.6
699T25Very low29.1Very low124 Ų124133.5 Ų133.576%0.76177%0.766SS**  cis-166.4160.3-27.64.20000111.2
700S27.5Very low29.2Very low127 Ų127130.8 Ų130.889%0.88877%0.765SS**  trans76.4135.9155.4-157.70000118.6
701G26.8Very low28.2Very low59 Ų59136 Ų13661%0.60877%0.772SS**  cis170.6152.4-9.500000115
702N29.1Very low28.1Very low172 Ų172136.5 Ų136.592%0.9276%0.764SS**  trans58147169.4-64.315.1000119.3
703G26.6Very low28.9Very low66 Ų66138.4 Ų138.468%0.6877%0.765SS**  cis176.3159.1-9.100000115.6
704E28.7Very low29Very low198 Ų198140.9 Ų140.993%0.92577%0.766SS**  trans61.9152.2148.3-56.8-169.5103.800124
705G26.7Very low29.5Very low73 Ų73143.8 Ų143.875%0.75377%0.77SS**  trans85116.4173.900000114.6
706R26.9Very low30.1Very low235 Ų235146.6 Ų146.689%0.88778%0.782SS**  cis90.1139.826.1-156.5-175-178.5-170.50.9114.9
707T26.6Very low30.4Very low125 Ų125140 Ų14077%0.76777%0.773SS**  trans83.3135.2163.721.10000121.2
708T32.5Very low30.5Very low128 Ų128144 Ų14479%0.78579%0.787SS**  trans-90.9-164.6161.352.80000108.8
709P52.8Low30.6Very low124 Ų124139.7 Ų139.781%0.80578%0.781SS**  cis-140.1-169.7-1.244.2-25.2000116.2
710G27.8Very low30.7Very low76 Ų76141.9 Ų141.978%0.78478%0.784SS**  trans105.2166.5157.900000116.9
711R28.1Very low31Very low206 Ų206141.6 Ų141.678%0.77778%0.777SS**  cis-172139.2-9.7-166.1-173.6172.8-151.4-20109.9
712E29.9Very low31.2Very low130 Ų130143.4 Ų143.461%0.60778%0.781SS**  trans56.2175153.7-79.5160.9-150.300120
713E37.8Very low31.2Very low155 Ų155142.6 Ų142.672%0.72478%0.777SS**  -163.1175.1-53.2-130.7-179.9-160.200112.2
714F26.5Very low31.5Very low173 Ų173147.8 Ų147.876%0.75978%0.783SS**  trans73.7174154.7-98.5-98.9000123.4
715R36.5Very low32.5Very low224 Ų224142.5 Ų142.585%0.84577%0.766SS**  trans-153.8160.8-151.4-54.5162.671.3168.84.1110.9
716Q35.7Very low32.5Very low191 Ų191146.3 Ų146.389%0.89376%0.764SS**  trans159.4158.7145-91.9-178.8-2.500110
717A33.3Very low32.6Very low78 Ų78143.2 Ų143.265%0.64576%0.76SS**  cis-166.2164.5-18.600000110.1
718L29Very low32.5Very low172 Ų172148.8 Ų148.890%0.90177%0.767SS**  -178.2170.6115.6-93.4172.8000111.1
719S29.7Very low33.2Very low98 Ų98147.7 Ų147.769%0.68576%0.762SS**  trans-155.6154-149.955.20000116.1
720M26.7Very low32.9Very low169 Ų169147.5 Ų147.583%0.83376%0.761SS**  trans-154111.7148.9-78.3-51.4-16900107
721T34.2Very low33.2Very low121 Ų121152.9 Ų152.974%0.74276%0.763SS**  61.6134.792.959.80000114.7
722S29.4Very low34.2Very low98 Ų98147.6 Ų147.669%0.68576%0.755SS**  cis-157.415016.750.20000114.3
723D29.4Very low34.3Very low155 Ų155147.7 Ų147.783%0.82976%0.76SS**  trans39.8143.6131.2-51.3-9000122
724E32.4Very low34.1Very low175 Ų175148.7 Ų148.782%0.81876%0.764SS**  cis-156.9-164-19.3-135.8-139.315000108.8
725P50Low34.6Very low86 Ų86147.5 Ų147.556%0.55877%0.766SS**  -134.6-141.7-129.944.2-20.6000115.6
726Q28.4Very low34.4Very low153 Ų153139.8 Ų139.872%0.71576%0.756SS**  trans91.3142.6172.7-53.2-172.910.600115.7
727Q27.4Very low34.2Very low171 Ų171136.3 Ų136.380%0.79975%0.748SS**  cis-146.6-149.7-4.5-124.1169.840.200113.3
728R25.3Very low34.4Very low241 Ų241139.1 Ų139.191%0.90975%0.752SS**  trans-119.8-162.9-151-126.9-166-175.6168.93.1114.6
729P47.8Very low34.6Very low106 Ų106137.3 Ų137.369%0.68874%0.742SS**  trans-107-154.6-150.941.8-21.1000111.6
730P46.7Very low34.8Very low120 Ų120139.1 Ų139.178%0.77974%0.743SS**  cis-142.6-156.17.544-20.4000117.5
731K34.1Very low35Very low189 Ų189141.9 Ų141.982%0.82274%0.744SS**  trans-59.4-174.9172.9-51.7-175.4176.3-172.70113.9
732P47.5Very low34.7Very low95 Ų95143.5 Ų143.562%0.61775%0.747SS**  cis-154.8-168.316.550.5-29.2000120
733D32.9Very low34.5Very low132 Ų132146.1 Ų146.171%0.70675%0.753SS**  trans59.2168145.5-57-18.3000121.1
734E34.3Very low35Very low175 Ų175145.9 Ų145.982%0.81875%0.752SS**  cis-170.7170.2-25.8-99.3-179.4160.500105.9
735D35.1Very low35.7Very low148 Ų148142.5 Ų142.579%0.79175%0.745SS**  cis-165.5171.2-39.2-17839.9000108.5
736G32.3Very low34.5Very low62 Ų62146.3 Ų146.364%0.63976%0.759SS**  trans136.3133.4165.300000115.8
737V33.1Very low34.4Very low119 Ų119143.7 Ų143.772%0.72176%0.758SS**  cis129.7165.90.91690000110.5
738D35.8Very low34.5Very low136 Ų136140.6 Ų140.673%0.72776%0.755SS**  trans78146.3174.4-73.8-3.6000119.1
739L33.3Very low34.8Very low135 Ų135134.2 Ų134.271%0.70775%0.748SS**  cis-161.3172.2-9.9-119.3171.5000114.1
740I33.8Very low33.9Very low136 Ų136133.8 Ų133.870%0.69775%0.753SS**  trans78.1131.2154.7-72.7165.6000120.6L742I740-L742 HydrophobicContact CG2-CG 4.31Å
741R31.5Very low33.2Very low227 Ų227136.5 Ų136.586%0.85776%0.755SS**  trans-111.9140.9158.7-66.6170.3169.1163.7-6109.4
742L27.3Very low32.8Very low154 Ų154133.1 Ų133.181%0.80675%0.751SS**  trans-140.1123.5154.3-67.5171000105.4I740I740-L742 HydrophobicContact CG2-CG 4.31Å
743L26Very low31.6Very low154 Ų154136.3 Ų136.381%0.80676%0.762SS**  cis71.382.349.7-63.1176.2000114.1
744D39.5Very low31.3Very low150 Ų150138.3 Ų138.380%0.80277%0.772SS**  3.9152.1119.4-93.2-43.2000117.8
745P46.9Very low31Very low104 Ų104135.2 Ų135.268%0.67577%0.77SS**  cis-153.2-15949.639.5-16000117
746L25.7Very low30.6Very low165 Ų165133 Ų13386%0.86477%0.772SS**  trans97.1138.9166.9-52.5178.5000115.4
747S25.3Very low30.4Very low98 Ų98137.7 Ų137.769%0.68578%0.782SS**  cis-152.1141.99.454.80000115.4
748S30.8Very low31.3Very low106 Ų106136.6 Ų136.674%0.74178%0.777SS**  trans56.8141.6142.162.60000123.3
749S30.2Very low31.1Very low107 Ų107137.2 Ų137.275%0.74878%0.78SS**  cis174.1128.5-38.842.90000111.9
750A28.8Very low31.2Very low97 Ų97135 Ų13580%0.80278%0.782SS**  trans-153.5105.8146.600000107.3
751Q32.1Very low31.4Very low177 Ų177135.6 Ų135.683%0.82779%0.785SS**  67.1125.571.6-77.6-160.9-11.100114
752T26.7Very low31.5Very low119 Ų119130.5 Ų130.573%0.7378%0.775SS**  cis-156.5164.4-14.6-28.80000109.5
753N22.8Very low32.1Very low161 Ų161129.8 Ų129.886%0.86177%0.771SS**  trans-60140.1160.3-70.3-34.3000110.9
754L25.9Very low32.4Very low174 Ų174133.3 Ų133.391%0.91177%0.773SS**  trans-137.4147.1155.5-103.8175.8000110.1
755S28.1Very low32.1Very low111 Ų111130.9 Ų130.978%0.77677%0.774SS**  trans-99.5127.7-174.953.20000112.2
756A25.8Very low31.3Very low100 Ų100131.9 Ų131.983%0.82678%0.783SS**  trans-159.2150.3155.300000112.2
757L28.1Very low31.7Very low162 Ų162129.8 Ų129.885%0.84878%0.783SS**  trans-91.5172.2162.3-102.574.4000109.2
758P53.5Low32Very low95 Ų95129.9 Ų129.962%0.61779%0.789SS**  cis-140.2-160-21.335.1-13000113.6
759D30.9Very low31.9Very low149 Ų149131.2 Ų131.280%0.79780%0.797SS**  trans94.7121.6148.7-68.6-13.3000122.8
760A34.8Very low31.8Very low89 Ų89135.7 Ų135.774%0.73680%0.803SS**  trans58.9142145.700000121.7
761L37.7Very low33.1Very low148 Ų148137 Ų13778%0.77580%0.804SS**  cis-161.7155.3-13.4-114.2172.2000109.2
762D34.7Very low32.9Very low120 Ų120133.5 Ų133.564%0.64281%0.805SS**  trans56.4114.5150.2-79.72000121.7
763I38.9Very low32.9Very low140 Ų140136.6 Ų136.672%0.71882%0.816SS**  95.1142.286.7-83.1177.6000112.5
764R34Very low33.2Very low227 Ų227133.4 Ų133.486%0.85781%0.812SS**  cis177.6143.8-16.7178.9-175.3-176.8-174.13.3108.7
765A33Very low34Very low99 Ų99131.3 Ų131.382%0.81881%0.809SS**  trans177.1150.5142.300000113.2
766S30.5Very low34.3Very low125 Ų125136 Ų13687%0.87481%0.81SS**  trans-162.8166.8171.959.10000110.7
767S32.1Very low35.2Very low121 Ų121137.3 Ų137.385%0.84681%0.81SS**  trans-154.8132.7-177.464.70000114.9
768A33.4Very low35.5Very low100 Ų100138.1 Ų138.183%0.82680%0.803SS**  trans171.9145.9155.700000112.2
769C27.6Very low35.1Very low135 Ų135139.7 Ų139.791%0.91281%0.813SS**  trans-170.7170.3153.4-105.10000114.3
770K29.1Very low35.2Very low200 Ų200141.3 Ų141.387%0.8782%0.816SS**  trans-135.3-142.3-176.2-70.1-176175.5179.30113
771P54.9Low34.8Very low125 Ų125143 Ų14381%0.81282%0.822SS**  -125.6-179-101.941.1-24.3000116.3
772A28.8Very low34.4Very low104 Ų104143.8 Ų143.886%0.8683%0.827SS**  trans-165.8179164.400000116
773L26.5Very low35.7Very low184 Ų184142.7 Ų142.796%0.96383%0.826SS**  trans-130.5179.1-168.3-78.1152.4000114.8
774A29.3Very low35Very low93 Ų93144.7 Ų144.777%0.76983%0.832SS**  trans-91.1-179178.100000113.2
775P41.4Very low34.7Very low131 Ų131142.6 Ų142.685%0.85183%0.829SS**  cis-145.2-153.825.244.5-20.7000118.1
776R34.8Very low36.2Very low208 Ų208142.3 Ų142.379%0.78582%0.819SS**  trans-74.6165.9-172.7-108.5179.1-178.1-178.80.4116
777P45.1Very low37.2Very low129 Ų129142.4 Ų142.484%0.83882%0.817SS**  -152.2-159.66342.9-19.9000118.7
778Y34.4Very low37.2Very low179 Ų179144.5 Ų144.570%0.70281%0.813SS**  trans-87.6166.9-169-93.1-85.6000116.7
779P44.8Very low38.2Very low128 Ų128144.8 Ų144.883%0.83181%0.806SS**  -141.3-173.79937.9-22.1000115.7
780Q33.4Very low38.3Very low183 Ų183147.4 Ų147.486%0.85581%0.805SS**  trans-123.1155.5-171.1-59171.7-42.800114.2
781S25.6Very low38.4Very low123 Ų123146.2 Ų146.286%0.8681%0.806SS**  trans-163.8155.314756.30000113.2
782L29.6Very low37.1Very low166 Ų166145.1 Ų145.187%0.86980%0.801SS**  trans-123.9-173.3-174.2-81.5165.3000109.7
783P61.6Low37.3Very low96 Ų96147 Ų14762%0.62380%0.796SS**  cis-132.3176.9-47.337.2-22.6000113.2
784H24.6Very low37.7Very low183 Ų183145.2 Ų145.285%0.84779%0.788SS**  trans-173.1169134.6-106.767.7000113.6
785F28.2Very low38.1Very low183 Ų183145.7 Ų145.780%0.80378%0.783SS**  trans-145.2-176.1-167.3-99.8-63.9000110.4
786P64.9Low37.6Very low93 Ų93149.7 Ų149.760%0.60479%0.787SS**  -119.8-147.2-88.132.3-6.9000111.8
787P51.9Low37.4Very low127 Ų127144.1 Ų144.183%0.82579%0.786SS**  -139.7174.571.129.9-7.4000116.9
788H32.4Very low36.8Very low165 Ų165147.5 Ų147.576%0.76479%0.79SS**  trans-104.5-167.8-177.5-90.2-57.4000110.8
789P53.2Low36.4Very low105 Ų105145 Ų14568%0.68280%0.799SS**  cis-136.9172.34.342.8-26000117.3
790H29.1Very low35.7Very low191 Ų191146.9 Ų146.988%0.88480%0.801SS**  trans-169.7123.9139.2-94.2-62.5000110.3
791I30.9Very low35.4Very low174 Ų174146.8 Ų146.889%0.89280%0.801SS**  trans-143.8139.8166.6-64.8-176.4000108.9
792S28.7Very low35.5Very low103 Ų103148.3 Ų148.372%0.7279%0.794SS**  trans-156.5169.9163.475.30000107.5
793L32.8Very low35.3Very low144 Ų144150.4 Ų150.475%0.75479%0.792SS**  cis-158.1151.122-138.7171.4000108.8P795L793-P795 HydrophobicContact CD2-CG 4.17Å
794N35Very low33.7Very low146 Ų146150.6 Ų150.678%0.78180%0.796SS**  trans-158.6119.5164.1-164.223.9000110.5
795P38.6Very low34.8Very low103 Ų103147.4 Ų147.467%0.66979%0.791SS**  trans-124.1168.4176.435.7-20.5000115.4L793L793-P795 HydrophobicContact CD2-CG 4.17Å
796F29.1Very low34.8Very low214 Ų214142.8 Ų142.894%0.93979%0.787SS**  trans-99.8-175.1-167.7-87.2-107.4000114.7
797A30.7Very low33.1Very low92 Ų92145.3 Ų145.376%0.7680%0.8SS**  trans-107.5-174.7-165.400000115.9
798Q33Very low32.1Very low199 Ų199145.1 Ų145.193%0.9380%0.802SS**  trans89.5126.7165.5-58.5-171.1-10.300120.3
799S26.6Very low32Very low128 Ų128140.7 Ų140.790%0.89580%0.801SS**  trans-162.5169.8138.457.20000110.2
800L29.5Very low31.1Very low166 Ų166142.9 Ų142.987%0.86981%0.807SS**  trans-132.9141.4-169.5-97159.5000111.2
801Q27.7Very low31.5Very low182 Ų182138.8 Ų138.885%0.8580%0.797SS**  trans151.4171.6154.6-88.8165.14.800110.8
802Q27.2Very low31.3Very low154 Ų154140 Ų14072%0.7280%0.797SS**  -167.1144.9-61.5-141.9179.8-3.700108.1
803Y25.7Very low31.3Very low210 Ų210141.5 Ų141.582%0.82480%0.802SS**  trans72.1166.6169.3-78.2-79.3000120.9
804S27.6Very low31.2Very low101 Ų101139.6 Ų139.671%0.70681%0.807SS**  trans-115.6-167.8-155.157.50000111.4
805P47.4Very low31Very low115 Ų115138.6 Ų138.675%0.74781%0.806SS**  cis-150.7-172.216.245.3-23.3000119.7
806A27.9Very low30.7Very low86 Ų86145.1 Ų145.171%0.71182%0.819SS**  trans90.6116.3138.400000123.8
807V29.6Very low30.8Very low146 Ų146138 Ų13889%0.88581%0.805SS**  trans69.3112.3133.9-178.20000121.2
808S30.9Very low31.8Very low123 Ų123139.7 Ų139.786%0.8681%0.809SS**  -154.8163.2118.659.70000109.6
809G30.8Very low32.1Very low73 Ų73135.5 Ų135.575%0.75380%0.799SS**  trans-167.4174-175.200000114.9
810N35.1Very low32.2Very low151 Ų151137.6 Ų137.681%0.80780%0.799SS**  trans8.2127.1176-73.29.7000120.5
811P35.7Very low32.2Very low104 Ų104132.9 Ų132.968%0.67579%0.791SS**  trans-88.3150.2145.136.8-30.8000111.9
812F28.7Very low33.1Very low199 Ų199129.2 Ų129.287%0.87378%0.782SS**  trans74.6100.4169.7-55.1-65.6000120.1
813T28.5Very low33.3Very low136 Ų136131.9 Ų131.983%0.83479%0.787SS**  trans-143.4129141.8-47.10000107.3
814A29.8Very low33.4Very low104 Ų104128 Ų12886%0.8678%0.78SS**  trans-153.7139.2173.100000110.1
815V31.9Very low33.5Very low124 Ų124131.2 Ų131.275%0.75278%0.783SS**  trans-118.5141.1-171.2173.40000109.8
816Y30.3Very low32.5Very low241 Ų241129.7 Ų129.795%0.94578%0.78SS**  trans-150.1156.8151-101.7-69.9000112.3
817G31.5Very low32.5Very low64 Ų64131 Ų13166%0.6678%0.784SS**  trans-94.9-168.6-169.200000116.6
818P52.2Low32.4Very low127 Ų127129.8 Ų129.883%0.82578%0.782SS**  trans-87.7172.9-159.436.7-39.4000114.9
819P38.5Very low32.5Very low112 Ų112131.9 Ų131.973%0.72778%0.778SS**  -145.2151.4114.838-24.2000117
820L29.4Very low32.9Very low172 Ų172133.6 Ų133.690%0.90178%0.776SS**  trans47.3127138.2-59.1168.8000122.1
821G30.1Very low32.5Very low67 Ų67133.7 Ų133.769%0.69177%0.772SS**  trans-77.9-174.2150.400000112.1
822P46.6Very low32.8Very low104 Ų104132.7 Ų132.768%0.67577%0.765SS**  -158.6-177.370.543.3-23.7000117.9
823Y30.6Very low32.7Very low210 Ų210132 Ų13282%0.82476%0.763SS**  trans69.3156.2149.9-65.2-31.8000118.8
824I28.5Very low32.6Very low129 Ų129130.3 Ų130.366%0.66276%0.756SS**  cis-157.1170.7-4.1-122167.8000113.4
825H28.8Very low32.5Very low168 Ų168131.7 Ų131.778%0.77875%0.754SS**  trans-23.3164163-62.2-61.4000120.7
826A26.2Very low32.4Very low84 Ų84133.4 Ų133.469%0.69476%0.758SS**  cis-174.2-176.3-16.100000111.6
827S29Very low32.8Very low113 Ų113127.8 Ų127.879%0.7975%0.751SS**  trans-31.4145.2169.257.20000120.4
828S26.3Very low32.6Very low120 Ų120127.9 Ų127.984%0.83975%0.752SS**  trans-160.1125.5133.550.10000114.4
829Q33.7Very low31.6Very low168 Ų168129 Ų12979%0.78575%0.75SS**  trans-76.7165.6148.2-112.7-173.88.800108.3
830P39.4Very low31Very low108 Ų108132 Ų13270%0.70175%0.754SS**  cis-150.1169.45049.1-28.8000115.4
831Q27.1Very low30.8Very low153 Ų153135.1 Ų135.172%0.71575%0.754SS**  56.9167.2101.7-61.1-76-16.200117.6
832P42.5Very low30.9Very low84 Ų84139.5 Ų139.555%0.54576%0.757SS.*  cis-139.9-171.9-12.320.37.2000116.3
833F25.5Very low30.5Very low185 Ų185140.1 Ų140.181%0.81176%0.76SS**  trans73.9116.9152.6-62.2-48.8000120.3
834S26.2Very low30.5Very low100 Ų100134.6 Ų134.670%0.69975%0.752SS**  87137.180.290.30000113.8
835T27.4Very low31.2Very low133 Ų133134.6 Ų134.682%0.81676%0.761SS**  -159.716962.439.90000115.6
836L31.1Very low31.1Very low160 Ų160132.1 Ų132.184%0.83876%0.761SS**  trans-98.8159.1159.3-96.5163.5000108.9
837P38.6Very low31.2Very low122 Ų122135.6 Ų135.679%0.79277%0.766SS**  -162.2160.962.441.9-19.4000121.4
838G27.9Very low31.2Very low66 Ų66134.9 Ų134.968%0.6876%0.761SS**  trans73.7173.7148.200000119.9
839L29.6Very low31.2Very low150 Ų150135.5 Ų135.579%0.78576%0.76SS**  cis-169.8133.6-16.1-118.1174.5000111.8
840H26.7Very low31.1Very low177 Ų177135.1 Ų135.182%0.81976%0.763SS**  trans57.7151.6170.3-74.6-52.2000118.5
841R25.7Very low31.7Very low237 Ų237135.4 Ų135.489%0.89477%0.765SS**  cis-167.5158.746.9-145-176.6-172.5151.90.5112.9
842Q31.9Very low32.7Very low159 Ų159134 Ų13474%0.74377%0.769SS**  trans-93.3165.4159.7-86.4-88.9-13.500109.1
843P36.8Very low32.1Very low116 Ų116134.1 Ų134.175%0.75377%0.772SS**  cis-152.4-171.945.944.2-22.2000118.4
844S30.5Very low32.3Very low94 Ų94134.4 Ų134.466%0.65778%0.775SS**  trans-82.6170.5161.7-38.50000112.8
845P43.7Very low32.3Very low130 Ų130132.9 Ų132.984%0.84478%0.775SS**  -152.5-16085.341-19.8000116.1
846C26.9Very low32.3Very low116 Ų116135.6 Ų135.678%0.78478%0.784SS**  trans-112.8-172.8-163.1-43.50000115.7
847I28.1Very low32.1Very low156 Ų156132.2 Ų132.280%0.878%0.779SS**  trans138.9101149.7-74.3162.3000111.9
848S30.2Very low32.2Very low98 Ų98132.2 Ų132.269%0.68578%0.779SS**  90.5159.393.291.80000115
849T25.8Very low32.1Very low133 Ų133134.1 Ų134.182%0.81678%0.781SS**  cis-156.8169.424-23.70000114.2
850L31.4Very low31.9Very low161 Ų161131.3 Ų131.384%0.84378%0.78SS**  trans-82.3-173.7173.5-84.1153.3000113.2
851P53Low31.8Very low113 Ų113127.5 Ų127.573%0.73478%0.779SS**  cis-129.4-145.714.944.8-23.1000112.2
852P47.3Very low31.9Very low124 Ų124121.3 Ų121.381%0.80577%0.772SS**  cis-128.4-133.3242.6-20.5000116.2
853S29.3Very low32.4Very low87 Ų87118.9 Ų118.961%0.60877%0.77SS**  trans-165.6164.4-149.449.30000117.7
854H29.6Very low31.9Very low191 Ų191118 Ų11888%0.88477%0.767SS**  trans83.7147.9167.7-48.6-65.2000119.2
855G25.8Very low31.6Very low67 Ų67119.8 Ų119.869%0.69177%0.773SS**  cis168.2173.7-10.200000116.1
856L29.1Very low30.8Very low191 Ų191118.1 Ų118.1100%177%0.765SS**  trans76.4158.7165.1-68.1165000121.3
857A26.1Very low30.6Very low89 Ų89118.3 Ų118.374%0.73676%0.763SS**  trans-130.1-172.9-175.900000110.6
858P40.2Very low30.7Very low121 Ų121118.4 Ų118.479%0.78676%0.764SS**  -158.8177.867.743.5-21.8000119.3
859S26.3Very low31.1Very low106 Ų106118.7 Ų118.774%0.74176%0.764SS**  trans40.4124.4142.1-161.60000121.3
860A25.4Very low31.2Very low92 Ų92123.6 Ų123.676%0.7677%0.767SS**  62.2142.662.500000114.5
861A24.9Very low31Very low96 Ų96120.4 Ų120.479%0.79376%0.758SS**  cis-156-161.612.700000114.1
862S28.5Very low29.8Very low108 Ų108121 Ų12176%0.75577%0.765SS**  trans-67-178.1171590000113.4
863P42Very low28.9Very low107 Ų107118.4 Ų118.470%0.69576%0.761SS**  cis-154.4179.62243.8-20.2000120.7
864S25.9Very low28.9Very low99 Ų99119.4 Ų119.469%0.69277%0.768SS**  trans48.6132.2137.770.60000126.2
865V24.7Very low29Very low130 Ų130115 Ų11579%0.78876%0.759SS**  99.3118124.91580000123.5
866S25.6Very low29.3Very low95 Ų95120 Ų12066%0.66476%0.764SS**  trans84.6128.114465.60000125.9
867T24.1Very low29.3Very low120 Ų120115 Ų11574%0.73675%0.749SS**  trans70.3114.3139.846.50000124.3
868L30.5Very low29.5Very low159 Ų159118.1 Ų118.183%0.83275%0.753SS**  38.5143.7120.3-77.3164.5000120.6
869P37.8Very low28.9Very low104 Ų104117.9 Ų117.968%0.67575%0.754SS**  -154.5178.350.944.3-24.1000119.1
870R27.9Very low29.1Very low236 Ų236117.3 Ų117.389%0.89175%0.75SS**  trans44154138.6-76.1-176.4176178.3-1.3122.3
871S28Very low29.2Very low93 Ų93121.2 Ų121.265%0.6576%0.757SS**  cis-178.4170-6.248.30000113
872S27.1Very low29.4Very low125 Ų125119.8 Ų119.887%0.87475%0.752SS**  trans77.9151.2160.9-51.10000117.6
873G27.8Very low29.3Very low71 Ų71122.4 Ų122.473%0.73276%0.758SS**  cis168.6176.5-2.500000110.2
874S30.6Very low28.6Very low108 Ų108122.3 Ų122.376%0.75576%0.76SS**  cis-179.8155.1-14.844.70000112
875S31.2Very low28.6Very low98 Ų98122.2 Ų122.269%0.68577%0.765SS**  trans66.3154.9166.844.10000118.8
876H31.1Very low28.7Very low173 Ų173122 Ų12280%0.80177%0.768SS**  cis-134.4150.718.8-69.4-98.4000111.3
877A30.1Very low28.7Very low84 Ų84122.6 Ų122.669%0.69477%0.767SS**  69.7138.469.200000114.6
878L29Very low28.8Very low156 Ų156126 Ų12682%0.81777%0.772SS**  cis-156.815328-73.8165.6000115.5
879S29.1Very low28.5Very low115 Ų115123.5 Ų123.580%0.80477%0.768SS**  trans66.9161140.576.50000121.2
880S29.2Very low27.9Very low94 Ų94124.8 Ų124.866%0.65777%0.774SS**  cis-168141.2-4.1130.80000113.8
881L28.7Very low29Very low174 Ų174118.5 Ų118.591%0.91176%0.764SS**  trans55.1156.1157.3-80.171.5000119.8
882G28.3Very low29Very low67 Ų67121.9 Ų121.969%0.69177%0.771SS**  cis135.1149.70.700000111.5
883D26.9Very low29Very low163 Ų163122 Ų12287%0.87276%0.762SS**  cis-168.2-169-8-148.3-71.8000110.1
884S26.2Very low28.9Very low104 Ų104124.8 Ų124.873%0.72777%0.765SS**  trans89138.1-177.6-47.10000116.4
885A27.6Very low28.9Very low98 Ų98127 Ų12781%0.8177%0.768SS**  cis85.4137.431.100000114.4
886C26.4Very low29.4Very low125 Ų125128.4 Ų128.485%0.84577%0.774SS**  cis-153.2-144.5-16.2-151.20000108.7
887V26.1Very low29.3Very low107 Ų107129.3 Ų129.365%0.64878%0.776SS**  cis-167.1140.76.994.20000111
888F24.9Very low30.4Very low193 Ų193130.2 Ų130.285%0.84678%0.775SS**  trans60.1170.6159.2-79-131000119.3
889S24.6Very low30.3Very low105 Ų105129.9 Ų129.973%0.73477%0.773SS**  cis-163.5167.5-25.552.40000113.2
890T25.1Very low30.3Very low131 Ų131132.7 Ų132.780%0.80477%0.773SS**  trans-82-170.617315.50000114.1
891P51.6Low30.3Very low105 Ų105132.6 Ų132.668%0.68278%0.778SS**  cis-138.7-151.8-23.131.1-5.6000113.6
892M27.3Very low30.3Very low164 Ų164131.5 Ų131.581%0.80877%0.768SS**  trans82.8147.5151.2-71.9-109.2165.900119.5
893N27.1Very low30.4Very low126 Ų126135.8 Ų135.867%0.67477%0.77SS**  cis-171.4-176.1-18.8-16413.1000111.9
894T26.8Very low30.6Very low131 Ų131135.7 Ų135.780%0.80477%0.765SS**  trans106.9146.5153.272.20000120.6
895L29.9Very low30.8Very low155 Ų155137.9 Ų137.981%0.81276%0.763SS**  trans-157142.7178.3176.4120.3000107.8
896P41.7Very low30.9Very low126 Ų126142.3 Ų142.382%0.81877%0.767SS**  -145-179.1125.331.9-12.4000115.9
897K28.2Very low31.1Very low193 Ų193143.6 Ų143.684%0.83977%0.765SS**  trans-119.1-169.7-176.1-123.7177.1-177.2179.60108.6
898P54.6Low32.8Very low102 Ų102143.7 Ų143.766%0.66277%0.768SS**  cis-139.2-149.9-16.736.4-12.6000113.9
899L25.8Very low33.9Very low149 Ų149140.6 Ų140.678%0.7877%0.767SS**  trans97.9161.1162.5-53.6172.2000118.6
900Q28.9Very low34.6Very low175 Ų175141.2 Ų141.282%0.81876%0.763SS**  -167.9157.4-55.5-150.4166.6-200110.8
901A29.7Very low35.4Very low91 Ų91140.6 Ų140.675%0.75276%0.761SS**  trans73.3165.7164.400000120.6
902Q29.1Very low34.5Very low151 Ų151145 Ų14571%0.70677%0.77SS**  cis-179.2147-31.6-178.7163.1-17.600113.3
903E30.8Very low34.6Very low158 Ų158140.9 Ų140.974%0.73877%0.769SS**  trans58.5164.8160-77.6159.2-152.700122
904E29.8Very low34.9Very low160 Ų160142.2 Ų142.275%0.74878%0.776SS**  cis-164.8160.7-38.4-151.1-174-139.200113.4
905H31.7Very low35.1Very low151 Ų151143.6 Ų143.670%0.69978%0.778SS**  trans47.4133.1151.7-95.7-44.7000126.9
906Q28.4Very low35.4Very low190 Ų190144 Ų14489%0.88878%0.78SS**  -174.3160.9122.2-106.6164.387.100117
907N31.2Very low35Very low152 Ų152146.4 Ų146.481%0.81378%0.78SS**  trans-172.4178179.8-132.2-3.2000108
908P61.8Low35.1Very low110 Ų110145.2 Ų145.271%0.71478%0.779SS**  cis-121-144.5-15.335.3-11.1000111
909P47Very low33.8Very low127 Ų127144.8 Ų144.883%0.82578%0.784SS**  -147.8-175.663.740.9-19.2000117.2
910D39.8Very low34Very low118 Ų118144 Ų14463%0.63179%0.786SS**  trans-135.5155.1179.4167.377.2000111.9F912D910-F912 WeakPolarHBondContact OD2-CD2 3.37Å; D910-F912 PolarHBondContact OD2-N 2.94Å
911P42.3Very low34.4Very low119 Ų119141.6 Ų141.677%0.77379%0.785SS**  trans-136.696.6153.936.2-18.1000115.1
912F32Very low34.6Very low198 Ų198145 Ų14587%0.86879%0.786SS**  trans12.4132.6141.5-76.8-104.3000119.9D910D910-F912 WeakPolarHBondContact OD2-CD2 3.37Å; D910-F912 PolarHBondContact OD2-N 2.94Å
913G30.1Very low35.2Very low76 Ų76147.5 Ų147.578%0.78479%0.794SS**  trans-167.6103.816400000114
914D34.5Very low35.7Very low154 Ų154148 Ų14882%0.82479%0.794SS**  trans-53.7136.2-175.7-58.8-66.3000115.6
915L30.5Very low36.3Very low160 Ų160148.7 Ų148.784%0.83879%0.794SS**  163.199.6120-88.2164.6000113.1
916L34.8Very low37Very low164 Ų164146.2 Ų146.286%0.85979%0.789SS**  178.798.8110-97.9166.6000111.6
917H33.3Very low37.7Very low177 Ų177143 Ų14382%0.81978%0.775SS**  trans-89.3103.4177.8-157.2-81.4000109.9
918M31.1Very low38.1Very low168 Ų168140.8 Ų140.883%0.82876%0.763SS**  trans-150.6145.1166.9-99.9-57.9109.900112.6
919A27.7Very low37.2Very low92 Ų92141 Ų14176%0.7676%0.757SS**  trans59.576.3169.600000118.8
920T30.2Very low36.8Very low134 Ų134144.1 Ų144.182%0.82275%0.753SS**  trans-137.1138.8146.257.20000111.4
921P35.9Very low36.8Very low123 Ų123147 Ų14780%0.79976%0.755SS**  trans-127.5102.4165.733.1-17.6000113.8
922Q33.8Very low36.8Very low164 Ų164149.3 Ų149.377%0.76675%0.753SS**  trans26.4125.1150.8-54.9-166.24.900121.9K924Q922-K924 HydrophobicContact CB-CB 4.45Å; Q922-K924 PolarHBondContact O-N 3.47Å
923K42.2Very low37.1Very low202 Ų202150.7 Ų150.788%0.87875%0.752SS**SBendtrans-68.410.7167.5-75.5-171.7171.8-174.90116.2K925K923-K925 PolarHBondContact O-N 3.35Å; K923-K925 VanDerWaalsContact O-N 3.15Å
924K42.8Very low37.6Very low170 Ų170154.3 Ų154.374%0.73975%0.749SS**THydrogen-bonded Turntrans-89.730.8-161.4-124.7-177.8-175.2-173.40116.2Q922Q922-K924 HydrophobicContact CB-CB 4.45Å; Q922-K924 PolarHBondContact O-N 3.47Å
925K41.9Very low38.1Very low173 Ų173152.2 Ų152.275%0.75274%0.741SS**THydrogen-bonded Turntrans-128-3.1-174.8-91.6-170173.9-1750116.1K923K923-K925 PolarHBondContact O-N 3.35Å; K923-K925 VanDerWaalsContact O-N 3.15Å
926V45.4Very low38.1Very low99 Ų99154.7 Ų154.760%0.675%0.746SS**SBendtrans-87.9-45-172.6-176.70000111.5D928 L929 R930V926-D928 PolarHBondContact O-N 2.8Å; V926-L929 PolarHBondContact O-N 3.2Å; V926-R930 PolarHBondContact O-N 2.89Å
927E44.3Very low38.1Very low124 Ų124158.2 Ų158.258%0.57977%0.766SS**Hα-helixtrans-63.7-38.2-177.7-70.967.8-154.100112.8L929 R930 R931E927-L929 VanDerWaalsContact C-N 3.33Å; E927-R930 PolarHBondContact O-N 3.49Å; E927-R931 PolarHBondContact O-N 3.15Å
928D39Very low38.3Very low104 Ų104157.3 Ų157.356%0.55676%0.763SS**Hα-helixtrans-78-16.2178.6-72.6-18.2000113.5V926 R931V926-D928 PolarHBondContact O-N 2.8Å; D928-R931 IonicContact OD1-CZ 3.65Å; D928-R931 IonicContact OD1-NH2 3.14Å; D928-R931 PolarHBondContact OD1-NH2 3.45Å
929L41.8Very low38.7Very low116 Ų116156.7 Ų156.761%0.60776%0.76SS**Hα-helixtrans-78.5-42.8166.2-101.9162.9000110.8V926 E927 R931 K932V926-L929 PolarHBondContact O-N 3.2Å; E927-L929 VanDerWaalsContact C-N 3.33Å; L929-R931 PolarHBondContact O-N 3.04Å; L929-K932 PolarHBondContact O-N 2.97Å
930R39.8Very low39.3Very low191 Ų191160.3 Ų160.372%0.72176%0.76SS**Hα-helixtrans-60.9-42.8177.8-166.6174.6-173.8168.24112V926 E927 K932 W933V926-R930 PolarHBondContact O-N 2.89Å; E927-R930 PolarHBondContact O-N 3.49Å; R930-K932 PolarHBondContact O-N 3.48Å; R930-W933 PolarHBondContact O-N 2.73Å
931R39.8Very low39.8Very low179 Ų179161.9 Ų161.968%0.67576%0.756SS**THydrogen-bonded Turntrans-715.4178.4-132.2-167.4-42.1-162.410.7115.2E927 D928 L929E927-R931 PolarHBondContact O-N 3.15Å; D928-R931 IonicContact OD1-CZ 3.65Å; D928-R931 IonicContact OD1-NH2 3.14Å; D928-R931 PolarHBondContact OD1-NH2 3.45Å; L929-R931 PolarHBondContact O-N 3.04Å
932K40.9Very low40.1Very low168 Ų168164.3 Ų164.373%0.7375%0.753SS**THydrogen-bonded Turntrans-116.78.1-177.8-141.8179.5-175.7-176.10113.9L929 R930L929-K932 PolarHBondContact O-N 2.97Å; R930-K932 PolarHBondContact O-N 3.48Å
933W39.9Very low40.5Very low226 Ų226164.3 Ų164.386%0.85675%0.752SS**SBendtrans-114.6-5.9177.7-91.664.6000113.7R930R930-W933 PolarHBondContact O-N 2.73Å
934E39Very low40.4Very low152 Ų152161.6 Ų161.671%0.7174%0.744SS**SBendtrans-94.714.2-176.4-66.4176.6154.900113.6
935T45.8Very low40.2Very low110 Ų110161 Ų16168%0.67574%0.744SS**  trans-143.484.4177.458.40000112.4
936F30.7Very low40.1Very low213 Ų213160 Ų16093%0.93474%0.743SS**  trans-154.2121.4151.3-101.6-74.9000107.8
937D34.2Very low39.6Very low238 Ų238165.5 Ų165.5100%1.27376%0.756SS**  trans-79.70165.6-63.9-69.6000110.7

Retrieved 937 of 937 residues in 395.1 ms (Link to these results)

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