A0A087Y3D9_POEFO Loading...

High mobility group-T protein

AlphaFold DB , UniProt , Accession A0A087Y3D9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 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
1M40.9Very low74.6Confident220 Ų220109.8 Ų109.8100%1.08460%0.597SS**  0107.50-89.386.6164.300108.8
2G54.1Low76Confident79 Ų79103.8 Ų103.881%0.81456%0.563SS**PPolyproline II helixtrans-79.7135.6172.900000110
3K63.9Low77.4Confident202 Ų202100.8 Ų100.888%0.87855%0.554SS**PPolyproline II helixtrans-61.4140.6163.4-71.5162.1-178.9173.20107.1P5K3-P5 WeakPolarHBondContact O-CD 3.48Å; K3-P5 VanDerWaalsContact O-N 3.09Å
4D72.9Confident78.5Confident53 Ų5395.5 Ų95.528%0.28353%0.528SS..PPolyproline II helixtrans-51.8117.1176.1177.7-3.6000108.9T6 K7 Y77D4-T6 PolarHBondContact O-N 2.89Å; D4-T6 WeakPolarHBondContact OD1-CB 3.38Å; D4-T6 PolarHBondContact OD1-N 3.36Å; D4-T6 PolarHBondContact OD1-OG1 3.02Å; D4-T6 PolarHBondContact OD2-OG1 3.01Å; D4-K7 HydrophobicContact CB-CB 4.03Å; D4-K7 WeakPolarHBondContact O-CB 3.26Å; D4-K7 PolarHBondContact O-N 3.49Å; D4-K7 VanDerWaalsContact O-N 3.11Å; D4-Y77 PolarHBondContact OD2-OH 2.92Å
5P75.6Confident79.3Confident128 Ų12893.5 Ų93.583%0.83151%0.51SS*.THydrogen-bonded Turntrans-67.2-16.7-176.828.3-35.2000112.5K3K3-P5 WeakPolarHBondContact O-CD 3.48Å; K3-P5 VanDerWaalsContact O-N 3.09Å
6T79.4Confident80.1Confident86 Ų8689.7 Ų89.753%0.52849%0.494SS..THydrogen-bonded Turntrans-89.7-10.5176.968.50000112.9D4 P8 Y77D4-T6 PolarHBondContact O-N 2.89Å; D4-T6 WeakPolarHBondContact OD1-CB 3.38Å; D4-T6 PolarHBondContact OD1-N 3.36Å; D4-T6 PolarHBondContact OD1-OG1 3.02Å; D4-T6 PolarHBondContact OD2-OG1 3.01Å; T6-P8 WeakPolarHBondContact O-CD 3.39Å; T6-Y77 VanDerWaalsContact O-CD2 3.24Å; T6-Y77 WeakPolarHBondContact O-CD2 3.48Å; T6-Y77 WeakPolarHBondContact O-CE2 3.43Å
7K82.4Confident80.8Confident119 Ų11986.5 Ų86.552%0.51747%0.473SS..SBendtrans-71126.7177.2-176.3174.7179.7173.70110.2D4 R9 Y77D4-K7 HydrophobicContact CB-CB 4.03Å; D4-K7 WeakPolarHBondContact O-CB 3.26Å; D4-K7 PolarHBondContact O-N 3.49Å; D4-K7 VanDerWaalsContact O-N 3.11Å; K7-R9 PolarHBondContact O-N 3.04Å; K7-Y77 HydrophobicContact CB-CE2 4.21Å; K7-Y77 HydrophobicContact CG-CE1 4.24Å
8P86Confident81.5Confident17 Ų1781.8 Ų81.811%0.1145%0.448CS..PPolyproline II helixtrans-50.8139.4173.3-29.836.3000112.3T6 G10 Y70 E73 M74 Y77T6-P8 WeakPolarHBondContact O-CD 3.39Å; P8-G10 PolarHBondContact O-N 3.5Å; P8-Y70 HydrophobicContact CB-CD2 4.19Å; P8-Y70 HydrophobicContact CB-CE2 4.16Å; P8-E73 HydrophobicContact CB-CB 3.74Å; P8-E73 HydrophobicContact CG-CB 3.81Å; P8-E73 WeakPolarHBondContact CG-O 3.5Å; P8-M74 HydrophobicContact CB-CG 4.35Å; P8-M74 HydrophobicContact CB-SD 4.25Å; P8-M74 HydrophobicContact CG-CG 4.29Å; P8-M74 HydrophobicContact CG-SD 3.95Å; P8-Y77 VanDerWaalsContact CD-CG 3.42Å; P8-Y77 HydrophobicContact CG-CD2 4.46Å; P8-Y77 HydrophobicContact CG-CG 4.05Å
9R86Confident81.9Confident127 Ų12778.3 Ų78.348%0.47943%0.429SS..PPolyproline II helixtrans-67133.4178.4-172.7-175.171.3129.79.6108.8K7 M12 D66 R69 Y70K7-R9 PolarHBondContact O-N 3.04Å; R9-M12 PolarHBondContact NH1-SD 2.95Å; R9-M12 PolarHBondContact NH2-SD 3.39Å; R9-M12 VanDerWaalsContact NH2-SD 3.39Å; R9-D66 IonicContact NH2-OD1 2.79Å; R9-R69 VanDerWaalsContact NH2-NH2 3.17Å; R9-Y70 WeakPolarHBondContact O-CD2 3.5Å
10G87.5Confident82.3Confident45 Ų4578.1 Ų78.146%0.46443%0.425SS..PPolyproline II helixtrans-58.3151.9-178.900000113.7P8P8-G10 PolarHBondContact O-N 3.5Å
11K91.4Very high82.7Confident132 Ų13276.4 Ų76.457%0.57442%0.417SS*.PPolyproline II helixtrans-63136.717962.9-171.9177.9-172.80113.1D66 Y70K11-D66 WeakPolarHBondContact CA-OD2 3.44Å; K11-Y70 HydrophobicContact CB-CG 4.31Å
12M92.3Very high84.9Confident38 Ų3866.3 Ų66.319%0.18737%0.368CS..PPolyproline II helixtrans-95.5133.1175.3-64-175.672.700110.3R9 A16 Y17 D66R9-M12 PolarHBondContact NH1-SD 2.95Å; R9-M12 PolarHBondContact NH2-SD 3.39Å; R9-M12 VanDerWaalsContact NH2-SD 3.39Å; M12-A16 HydrophobicContact CB-CB 4.2Å; M12-A16 HydrophobicContact CE-CB 4.05Å; M12-Y17 HydrophobicContact CB-CD2 3.9Å; M12-Y17 HydrophobicContact CB-CE2 3.5Å; M12-Y17 HydrophobicContact SD-CE1 4.37Å; M12-D66 PolarHBondContact N-OD2 3.01Å
13S93.5Very high86.4Confident64 Ų6468.3 Ų68.345%0.44835%0.351SS..PPolyproline II helixtrans-75.3164.9174.466.70000112Y15 A16 Y17S13-Y15 VanDerWaalsContact C-N 3.25Å; S13-Y15 PolarHBondContact O-N 3Å; S13-A16 WeakPolarHBondContact O-CA 3.48Å; S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3.15Å; S13-A16 PolarHBondContact OG-N 3.14Å; S13-Y17 WeakPolarHBondContact O-CD2 3.33Å; S13-Y17 PolarHBondContact O-N 3.42Å
14S92.3Very high87.6Confident27 Ų2763.8 Ų63.819%0.18933%0.333CS..Hα-helixtrans-55.9-42.6175.655.90000111.6A16 Y17 F18 F59S14-A16 PolarHBondContact O-N 3.3Å; S14-Y17 PolarHBondContact O-N 2.65Å; S14-F18 PolarHBondContact O-N 3.22Å; S14-F59 WeakPolarHBondContact CA-O 3.33Å; S14-F59 VanDerWaalsContact CB-C 3.48Å; S14-F59 VanDerWaalsContact CB-O 3.28Å; S14-F59 WeakPolarHBondContact CB-O 3.33Å; S14-F59 WeakPolarHBondContact O-CB 3.34Å
15Y90.9Very high88.3Confident66 Ų6664.8 Ų64.826%0.25934%0.336SS..Hα-helixtrans-63.2-39.3173-176.3-111.4000112.9S13 Y17 F18 V19 S45 W48S13-Y15 VanDerWaalsContact C-N 3.25Å; S13-Y15 PolarHBondContact O-N 3Å; Y15-Y17 VanDerWaalsContact C-N 3.35Å; Y15-Y17 PolarHBondContact O-N 3.05Å; Y15-F18 HydrophobicContact CD2-CD1 4.06Å; Y15-F18 HydrophobicContact CE2-CD1 4.03Å; Y15-F18 HydrophobicContact CE2-CE1 4.38Å; Y15-F18 WeakPolarHBondContact O-CB 3.34Å; Y15-F18 PolarHBondContact O-N 3.33Å; Y15-V19 HydrophobicContact CD1-CG2 3.99Å; Y15-V19 HydrophobicContact CD2-CG2 4.27Å; Y15-V19 HydrophobicContact CE1-CG2 3.55Å; Y15-V19 HydrophobicContact CE2-CG2 3.87Å; Y15-V19 HydrophobicContact CG-CG2 4.34Å; Y15-V19 VanDerWaalsContact CZ-CG2 3.49Å; Y15-V19 VanDerWaalsContact O-CG2 3.3Å; Y15-V19 WeakPolarHBondContact O-CG2 3.5Å; Y15-V19 PolarHBondContact O-N 2.57Å; Y15-S45 PolarHBondContact OH-N 3.05Å; Y15-W48 HydrophobicContact CD2-CB 3.88Å; Y15-W48 AromaticContact CD2-CD1 3.79Å; Y15-W48 AromaticContact CD2-CD2 3.6Å; Y15-W48 HydrophobicContact CD2-CD2 3.6Å; Y15-W48 AromaticContact CD2-CE2 3.99Å; Y15-W48 HydrophobicContact CD2-CE3 4.09Å; Y15-W48 AromaticContact CD2-CG 3.48Å; Y15-W48 HydrophobicContact CD2-CG 3.48Å; Y15-W48 VanDerWaalsContact CD2-CG 3.48Å; Y15-W48 HydrophobicContact CE2-CB 3.63Å; Y15-W48 HydrophobicContact CE2-CD2 4.3Å; Y15-W48 AromaticContact CE2-CG 3.76Å; Y15-W48 HydrophobicContact CE2-CG 3.76Å
16A92.1Very high88.8Confident32 Ų3261.3 Ų61.326%0.26431%0.309SS..Hα-helixtrans-64.2-39.5178.200000112.1M12 S13 S14 V19 Q20M12-A16 HydrophobicContact CB-CB 4.2Å; M12-A16 HydrophobicContact CE-CB 4.05Å; S13-A16 WeakPolarHBondContact O-CA 3.48Å; S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3.15Å; S13-A16 PolarHBondContact OG-N 3.14Å; S14-A16 PolarHBondContact O-N 3.3Å; A16-V19 PolarHBondContact O-N 3.07Å; A16-Q20 PolarHBondContact O-N 2.85Å
17Y92.6Very high89.1Confident35 Ų3564.7 Ų64.714%0.13732%0.316CS..Hα-helixtrans-63.1-42.9171.6-84.5-70.8000112.3M12 S13 S14 Y15 Q20 T21 L62 D66M12-Y17 HydrophobicContact CB-CD2 3.9Å; M12-Y17 HydrophobicContact CB-CE2 3.5Å; M12-Y17 HydrophobicContact SD-CE1 4.37Å; S13-Y17 WeakPolarHBondContact O-CD2 3.33Å; S13-Y17 PolarHBondContact O-N 3.42Å; S14-Y17 PolarHBondContact O-N 2.65Å; Y15-Y17 VanDerWaalsContact C-N 3.35Å; Y15-Y17 PolarHBondContact O-N 3.05Å; Y17-Q20 WeakPolarHBondContact O-CB 3.48Å; Y17-Q20 PolarHBondContact O-N 2.96Å; Y17-T21 PolarHBondContact O-N 3.03Å; Y17-L62 HydrophobicContact CD2-CB 4.13Å; Y17-L62 HydrophobicContact CE2-CB 4.39Å; Y17-L62 HydrophobicContact CG-CB 4.2Å; Y17-D66 HydrophobicContact CE2-CB 3.7Å; Y17-D66 VanDerWaalsContact OH-CB 3.27Å; Y17-D66 WeakPolarHBondContact OH-CB 2.95Å; Y17-D66 PolarHBondContact OH-OD1 3.13Å
18F92.6Very high89.4Confident2 Ų267.8 Ų67.81%0.00933%0.33CS..Hα-helixtrans-63.4-41.5176.1167.6-97000113.4S14 Y15 Q20 T21 C22 C44 R47 W48 M51 F59S14-F18 PolarHBondContact O-N 3.22Å; Y15-F18 HydrophobicContact CD2-CD1 4.06Å; Y15-F18 HydrophobicContact CE2-CD1 4.03Å; Y15-F18 HydrophobicContact CE2-CE1 4.38Å; Y15-F18 WeakPolarHBondContact O-CB 3.34Å; Y15-F18 PolarHBondContact O-N 3.33Å; F18-Q20 VanDerWaalsContact C-N 3.26Å; F18-Q20 PolarHBondContact O-N 2.95Å; F18-T21 PolarHBondContact O-N 3.3Å; F18-T21 PolarHBondContact O-OG1 3.08Å; F18-C22 VanDerWaalsContact CE2-SG 3.54Å; F18-C22 WeakPolarHBondContact CZ-SG 3.49Å; F18-C22 WeakPolarHBondContact O-CB 3.41Å; F18-C22 PolarHBondContact O-N 3.45Å; F18-C22 PolarHBondContact O-SG 3.4Å; F18-C44 HydrophobicContact CE1-CB 4.18Å; F18-C44 VanDerWaalsContact CE1-O 3.3Å; F18-C44 WeakPolarHBondContact CE1-O 3.16Å; F18-R47 HydrophobicContact CE2-CG 4.31Å; F18-R47 HydrophobicContact CZ-CB 3.89Å; F18-R47 HydrophobicContact CZ-CG 3.72Å; F18-W48 HydrophobicContact CB-CE3 3.61Å; F18-W48 HydrophobicContact CB-CZ3 3.47Å; F18-W48 VanDerWaalsContact CB-CZ3 3.47Å; F18-W48 HydrophobicContact CD1-CB 4.15Å; F18-W48 HydrophobicContact CD1-CD2 4.29Å; F18-W48 AromaticContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CZ3 4.31Å; F18-W48 AromaticContact CD2-CE3 3.85Å; F18-W48 HydrophobicContact CD2-CE3 3.85Å; F18-W48 HydrophobicContact CD2-CZ3 4.15Å; F18-W48 HydrophobicContact CE1-CB 3.83Å; F18-W48 HydrophobicContact CE1-CE3 4.16Å; F18-W48 HydrophobicContact CE2-CE3 4.41Å; F18-W48 HydrophobicContact CG-CD2 4.47Å; F18-W48 AromaticContact CG-CE3 3.36Å; F18-W48 HydrophobicContact CG-CE3 3.36Å; F18-W48 AromaticContact CG-CZ3 3.71Å; F18-W48 HydrophobicContact CG-CZ3 3.71Å; F18-W48 HydrophobicContact CZ-CB 4.4Å; F18-M51 HydrophobicContact CD2-CE 3.56Å; F18-M51 HydrophobicContact CD2-SD 3.91Å; F18-M51 HydrophobicContact CE2-CE 3.66Å; F18-M51 HydrophobicContact CE2-CG 4.38Å; F18-M51 HydrophobicContact CE2-SD 3.45Å; F18-M51 WeakPolarHBondContact CE2-SD 2.78Å; F18-M51 HydrophobicContact CG-CE 4.3Å; F18-M51 HydrophobicContact CZ-CE 4.47Å; F18-M51 HydrophobicContact CZ-SD 4.29Å; F18-F59 HydrophobicContact CB-CD1 3.89Å; F18-F59 HydrophobicContact CB-CD2 4.19Å; F18-F59 HydrophobicContact CB-CE1 3.97Å; F18-F59 HydrophobicContact CB-CE2 4.27Å; F18-F59 HydrophobicContact CB-CG 4.01Å; F18-F59 HydrophobicContact CB-CZ 4.16Å; F18-F59 HydrophobicContact CD2-CD2 4.28Å; F18-F59 HydrophobicContact CD2-CE1 4.36Å; F18-F59 AromaticContact CD2-CE2 3.69Å; F18-F59 HydrophobicContact CD2-CE2 3.69Å; F18-F59 AromaticContact CD2-CZ 3.73Å; F18-F59 HydrophobicContact CD2-CZ 3.73Å; F18-F59 HydrophobicContact CG-CE2 4.45Å; F18-F59 HydrophobicContact CG-CZ 4.45Å
19V90.6Very high89.4Confident16 Ų1674 Ų7410%0.09736%0.355CS..Hα-helixtrans-63.7-37.7175.2172.10000110.1Y15 A16 C22 R23 F40 C44Y15-V19 HydrophobicContact CD1-CG2 3.99Å; Y15-V19 HydrophobicContact CD2-CG2 4.27Å; Y15-V19 HydrophobicContact CE1-CG2 3.55Å; Y15-V19 HydrophobicContact CE2-CG2 3.87Å; Y15-V19 HydrophobicContact CG-CG2 4.34Å; Y15-V19 VanDerWaalsContact CZ-CG2 3.49Å; Y15-V19 VanDerWaalsContact O-CG2 3.3Å; Y15-V19 WeakPolarHBondContact O-CG2 3.5Å; Y15-V19 PolarHBondContact O-N 2.57Å; A16-V19 PolarHBondContact O-N 3.07Å; V19-C22 PolarHBondContact O-N 2.95Å; V19-R23 VanDerWaalsContact O-CG 3.32Å; V19-R23 WeakPolarHBondContact O-CG 3.42Å; V19-R23 PolarHBondContact O-N 3Å; V19-F40 HydrophobicContact CG1-CE1 4.09Å; V19-C44 HydrophobicContact CG2-CB 4.06Å
20Q89.1Confident89.2Confident73 Ų7372.5 Ų72.534%0.34135%0.353SS..Hα-helixtrans-63.4-48.1175.4-177.4177.9-20.200111.9A16 Y17 F18 C22 R23 E24A16-Q20 PolarHBondContact O-N 2.85Å; Y17-Q20 WeakPolarHBondContact O-CB 3.48Å; Y17-Q20 PolarHBondContact O-N 2.96Å; F18-Q20 VanDerWaalsContact C-N 3.26Å; F18-Q20 PolarHBondContact O-N 2.95Å; Q20-C22 VanDerWaalsContact C-N 3.31Å; Q20-C22 PolarHBondContact O-N 3.5Å; Q20-R23 WeakPolarHBondContact O-CB 3.45Å; Q20-R23 PolarHBondContact O-N 3.05Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.26Å; Q20-E24 PolarHBondContact NE2-OE1 3.49Å; Q20-E24 WeakPolarHBondContact O-CG 3.25Å; Q20-E24 PolarHBondContact O-N 3.11Å
21T89.6Confident88.9Confident44 Ų4474.8 Ų74.827%0.2736%0.36SS..Hα-helixtrans-62.6-39.4177.757.60000111.7Y17 F18 R23 E24 E25 F59Y17-T21 PolarHBondContact O-N 3.03Å; F18-T21 PolarHBondContact O-N 3.3Å; F18-T21 PolarHBondContact O-OG1 3.08Å; T21-R23 VanDerWaalsContact C-N 3.28Å; T21-R23 PolarHBondContact O-N 2.87Å; T21-E24 PolarHBondContact O-N 2.99Å; T21-E25 WeakPolarHBondContact O-CB 3.44Å; T21-E25 WeakPolarHBondContact O-CG 3.5Å; T21-E25 PolarHBondContact O-N 3.25Å; T21-F59 HydrophobicContact CG2-CE1 3.88Å
22C88.4Confident88.4Confident8 Ų876.2 Ų76.25%0.05437%0.374CS..Hα-helixtrans-61.4-36.1173.8-70.60000112.4F18 V19 Q20 H26 F40F18-C22 VanDerWaalsContact CE2-SG 3.54Å; F18-C22 WeakPolarHBondContact CZ-SG 3.49Å; F18-C22 WeakPolarHBondContact O-CB 3.41Å; F18-C22 PolarHBondContact O-N 3.45Å; F18-C22 PolarHBondContact O-SG 3.4Å; V19-C22 PolarHBondContact O-N 2.95Å; Q20-C22 VanDerWaalsContact C-N 3.31Å; Q20-C22 PolarHBondContact O-N 3.5Å; C22-H26 WeakPolarHBondContact O-CB 3.36Å; C22-H26 PolarHBondContact O-N 3.21Å; C22-F40 HydrophobicContact CB-CE2 4.24Å; C22-F40 HydrophobicContact CB-CZ 3.66Å
23R86.1Confident87.7Confident120 Ų12076.9 Ų76.945%0.45339%0.385SS..Hα-helixtrans-69.3-42.4177.2-74.9177.6-175166.87.3111V19 Q20 T21 H26 K27 F37 F40V19-R23 VanDerWaalsContact O-CG 3.32Å; V19-R23 WeakPolarHBondContact O-CG 3.42Å; V19-R23 PolarHBondContact O-N 3Å; Q20-R23 WeakPolarHBondContact O-CB 3.45Å; Q20-R23 PolarHBondContact O-N 3.05Å; T21-R23 VanDerWaalsContact C-N 3.28Å; T21-R23 PolarHBondContact O-N 2.87Å; R23-H26 PolarHBondContact O-N 3.18Å; R23-K27 WeakPolarHBondContact O-CB 3.4Å; R23-K27 PolarHBondContact O-N 3Å; R23-F37 VanDerWaalsContact NH2-CE2 3.3Å; R23-F40 HydrophobicContact CB-CE1 4.42Å; R23-F40 HydrophobicContact CB-CZ 4.05Å; R23-F40 HydrophobicContact CG-CD1 4.13Å; R23-F40 HydrophobicContact CG-CE1 3.21Å; R23-F40 HydrophobicContact CG-CE2 4.2Å; R23-F40 HydrophobicContact CG-CZ 3.27Å
24E88.8Confident86.7Confident107 Ų10779.6 Ų79.650%0.540%0.404SS..Hα-helixtrans-65.1-44.5177.9-70.6172.7-169.400111.5Q20 T21 H26 K27 K28Q20-E24 WeakPolarHBondContact CG-OE1 3.26Å; Q20-E24 PolarHBondContact NE2-OE1 3.49Å; Q20-E24 WeakPolarHBondContact O-CG 3.25Å; Q20-E24 PolarHBondContact O-N 3.11Å; T21-E24 PolarHBondContact O-N 2.99Å; E24-H26 VanDerWaalsContact C-N 3.33Å; E24-H26 PolarHBondContact O-N 2.99Å; E24-K27 PolarHBondContact O-N 3.4Å; E24-K28 WeakPolarHBondContact O-CB 3.48Å; E24-K28 PolarHBondContact O-N 3.09Å
25E87.6Confident85.9Confident75 Ų7581.8 Ų81.835%0.3542%0.416SS..Hα-helixtrans-57.9-45.2172.9-75.8-174.8168.200111.6T21 K28 K29 R47T21-E25 WeakPolarHBondContact O-CB 3.44Å; T21-E25 WeakPolarHBondContact O-CG 3.5Å; T21-E25 PolarHBondContact O-N 3.25Å; E25-K28 PolarHBondContact O-N 2.93Å; E25-K29 WeakPolarHBondContact O-CB 3.38Å; E25-K29 WeakPolarHBondContact O-CG 3.4Å; E25-K29 PolarHBondContact O-N 3.41Å; E25-R47 IonicContact OE2-CZ 3.68Å; E25-R47 IonicContact OE2-NH1 3.84Å; E25-R47 PolarHBondContact OE2-NH1 3.11Å; E25-R47 IonicContact OE2-NH2 3.45Å; E25-R47 PolarHBondContact OE2-NH2 3.45Å
26H84.7Confident85.6Confident55 Ų5583.4 Ų83.426%0.25543%0.429SS..Hα-helixtrans-66.4-43179.3-171-68.1000111.6C22 R23 E24 K28 K29 H30 V35 F40C22-H26 WeakPolarHBondContact O-CB 3.36Å; C22-H26 PolarHBondContact O-N 3.21Å; R23-H26 PolarHBondContact O-N 3.18Å; E24-H26 VanDerWaalsContact C-N 3.33Å; E24-H26 PolarHBondContact O-N 2.99Å; H26-K28 VanDerWaalsContact C-N 3.27Å; H26-K28 PolarHBondContact O-N 3.2Å; H26-K29 PolarHBondContact O-N 2.8Å; H26-H30 AromaticContact CE1-CD2 3.74Å; H26-H30 AromaticContact NE2-CD2 3.77Å; H26-H30 WeakPolarHBondContact O-CA 3.39Å; H26-H30 WeakPolarHBondContact O-CB 3.34Å; H26-H30 PolarHBondContact O-N 2.9Å; H26-V35 WeakPolarHBondContact CE1-CG1 3.37Å; H26-V35 WeakPolarHBondContact ND1-CG1 3.14Å; H26-F40 HydrophobicContact CB-CE2 4.2Å
27K87Confident84.9Confident156 Ų15688.3 Ų88.368%0.67845%0.445SS*.Hα-helixtrans-64-34.1176.7-170.7176.5179.7-1780111.7R23 E24 H30 P31R23-K27 WeakPolarHBondContact O-CB 3.4Å; R23-K27 PolarHBondContact O-N 3Å; E24-K27 PolarHBondContact O-N 3.4Å; K27-H30 CarbonylContact O-C 3.48Å; K27-P31 WeakPolarHBondContact O-CA 3.24Å
28K89.3Confident84.5Confident185 Ų18589.1 Ų89.180%0.80446%0.459SS*.Hα-helixtrans-71-39.4175.7-171.1174.6-178.3175.10112.6E24 E25 H26E24-K28 WeakPolarHBondContact O-CB 3.48Å; E24-K28 PolarHBondContact O-N 3.09Å; E25-K28 PolarHBondContact O-N 2.93Å; H26-K28 VanDerWaalsContact C-N 3.27Å; H26-K28 PolarHBondContact O-N 3.2Å
29K85.8Confident84.2Confident146 Ų14693 Ų9364%0.63548%0.477SS*.Hα-helixtrans-80.1-28.3179.8-70.6175.4-179.21750113E25 H26E25-K29 WeakPolarHBondContact O-CB 3.38Å; E25-K29 WeakPolarHBondContact O-CG 3.4Å; E25-K29 PolarHBondContact O-N 3.41Å; H26-K29 PolarHBondContact O-N 2.8Å
30H81.9Confident83.9Confident96 Ų9693.2 Ų93.244%0.44448%0.477SS..  trans-136.770.4-177.8-51.9-69.7000110.2H26 K27 D32 A33H26-H30 AromaticContact CE1-CD2 3.74Å; H26-H30 AromaticContact NE2-CD2 3.77Å; H26-H30 WeakPolarHBondContact O-CA 3.39Å; H26-H30 WeakPolarHBondContact O-CB 3.34Å; H26-H30 PolarHBondContact O-N 2.9Å; K27-H30 CarbonylContact O-C 3.48Å; H30-D32 VanDerWaalsContact C-N 3.29Å; H30-D32 PolarHBondContact O-N 3.46Å; H30-A33 HydrophobicContact CB-CB 3.57Å; H30-A33 PolarHBondContact O-N 3.36Å
31P80.1Confident83.7Confident93 Ų9392.2 Ų92.260%0.60448%0.478SS*.THydrogen-bonded Turntrans-62.7-32.9-176.223-32.6000113.6K27K27-P31 WeakPolarHBondContact O-CA 3.24Å
32D81.6Confident83.7Confident163 Ų16395.6 Ų95.687%0.87249%0.489SS*.THydrogen-bonded Turntrans-97.1-2.1179.4-67.3-38.5000114H30H30-D32 VanDerWaalsContact C-N 3.29Å; H30-D32 PolarHBondContact O-N 3.46Å
33A76.6Confident83.7Confident51 Ų51101.7 Ų101.742%0.42151%0.514SS..SBendtrans-87.9125.6-18000000111.2H30 V35H30-A33 HydrophobicContact CB-CB 3.57Å; H30-A33 PolarHBondContact O-N 3.36Å; A33-V35 PolarHBondContact O-N 2.94Å
34S74.2Confident83.9Confident121 Ų12196.1 Ų96.185%0.84649%0.494SS*.  trans-67.6119.3168.7-174.70000110.2N36S34-N36 PolarHBondContact O-N 3.43Å
35V74Confident83.8Confident74 Ų7493.1 Ų93.145%0.44848%0.484SS..  trans-76.8115.7176.3-810000110.6H26 A33 F37H26-V35 WeakPolarHBondContact CE1-CG1 3.37Å; H26-V35 WeakPolarHBondContact ND1-CG1 3.14Å; A33-V35 PolarHBondContact O-N 2.94Å; V35-F37 PolarHBondContact O-N 2.98Å
36N84.9Confident83.9Confident100 Ų10095.4 Ų95.454%0.53550%0.495SS..  trans-70.2111.6167.6-177.1-23.5000109.3S34 A38 E39 F40S34-N36 PolarHBondContact O-N 3.43Å; N36-A38 VanDerWaalsContact C-N 3.31Å; N36-A38 PolarHBondContact O-N 3.37Å; N36-A38 PolarHBondContact OD1-N 3.16Å; N36-A38 VanDerWaalsContact OD1-N 3.09Å; N36-E39 HydrophobicContact CB-CB 4.21Å; N36-E39 HydrophobicContact CB-CG 4.32Å; N36-E39 PolarHBondContact O-N 3.43Å; N36-F40 VanDerWaalsContact O-CB 3.27Å; N36-F40 WeakPolarHBondContact O-CB 3.47Å; N36-F40 PolarHBondContact O-N 2.75Å
37F77.8Confident84.1Confident134 Ų13498.4 Ų98.459%0.58850%0.504SS*.Hα-helixtrans-57.8-39.1-175.5-179.2-94.3000113.4R23 V35 F40 S41R23-F37 VanDerWaalsContact NH2-CE2 3.3Å; V35-F37 PolarHBondContact O-N 2.98Å; F37-F40 PolarHBondContact O-N 2.71Å; F37-S41 VanDerWaalsContact O-CB 3.27Å; F37-S41 WeakPolarHBondContact O-CB 3.4Å; F37-S41 PolarHBondContact O-N 2.66Å
38A84.7Confident84.3Confident52 Ų5293.1 Ų93.143%0.4348%0.48SS..Hα-helixtrans-66.6-45.4-178.600000111.2N36 S41 K42N36-A38 VanDerWaalsContact C-N 3.31Å; N36-A38 PolarHBondContact O-N 3.37Å; N36-A38 PolarHBondContact OD1-N 3.16Å; N36-A38 VanDerWaalsContact OD1-N 3.09Å; A38-S41 PolarHBondContact O-N 2.86Å; A38-K42 WeakPolarHBondContact O-CG 3.44Å; A38-K42 PolarHBondContact O-N 3.41Å
39E84.6Confident84.3Confident85 Ų8591.7 Ų91.740%0.39747%0.474SS..Hα-helixtrans-69.8-38.6178.3-66.6-58.2115.200111.8N36 K42 K43N36-E39 HydrophobicContact CB-CB 4.21Å; N36-E39 HydrophobicContact CB-CG 4.32Å; N36-E39 PolarHBondContact O-N 3.43Å; E39-K42 PolarHBondContact O-N 3.15Å; E39-K42 IonicContact OE1-NZ 3.73Å; E39-K42 PolarHBondContact OE1-NZ 3.23Å; E39-K43 WeakPolarHBondContact O-CG 3.41Å; E39-K43 PolarHBondContact O-N 2.94Å
40F85.8Confident84.5Confident20 Ų2090.3 Ų90.39%0.08848%0.478CS..Hα-helixtrans-65.6-41.1176.2-178.1-92.6000112.1V19 C22 R23 H26 N36 F37 K43 C44V19-F40 HydrophobicContact CG1-CE1 4.09Å; C22-F40 HydrophobicContact CB-CE2 4.24Å; C22-F40 HydrophobicContact CB-CZ 3.66Å; R23-F40 HydrophobicContact CB-CE1 4.42Å; R23-F40 HydrophobicContact CB-CZ 4.05Å; R23-F40 HydrophobicContact CG-CD1 4.13Å; R23-F40 HydrophobicContact CG-CE1 3.21Å; R23-F40 HydrophobicContact CG-CE2 4.2Å; R23-F40 HydrophobicContact CG-CZ 3.27Å; H26-F40 HydrophobicContact CB-CE2 4.2Å; N36-F40 VanDerWaalsContact O-CB 3.27Å; N36-F40 WeakPolarHBondContact O-CB 3.47Å; N36-F40 PolarHBondContact O-N 2.75Å; F37-F40 PolarHBondContact O-N 2.71Å; F40-K43 PolarHBondContact O-N 2.91Å; F40-C44 WeakPolarHBondContact CE1-SG 3.42Å; F40-C44 WeakPolarHBondContact CZ-SG 3.22Å; F40-C44 PolarHBondContact O-N 2.88Å; F40-C44 PolarHBondContact O-SG 3.06Å
41S85.1Confident84.8Confident51 Ų5186.7 Ų86.736%0.35746%0.461SS..Hα-helixtrans-64.1-41.1177.3-168.60000112F37 A38 C44 S45F37-S41 VanDerWaalsContact O-CB 3.27Å; F37-S41 WeakPolarHBondContact O-CB 3.4Å; F37-S41 PolarHBondContact O-N 2.66Å; A38-S41 PolarHBondContact O-N 2.86Å; S41-C44 PolarHBondContact O-N 2.91Å; S41-S45 PolarHBondContact O-N 2.93Å
42K89.9Confident85.3Confident116 Ų11684.9 Ų84.950%0.50445%0.451SS..Hα-helixtrans-60.8-51.1174.4-70.2172.8-169.9166.60111.1A38 E39 C44 S45 E46A38-K42 WeakPolarHBondContact O-CG 3.44Å; A38-K42 PolarHBondContact O-N 3.41Å; E39-K42 PolarHBondContact O-N 3.15Å; E39-K42 IonicContact OE1-NZ 3.73Å; E39-K42 PolarHBondContact OE1-NZ 3.23Å; K42-C44 VanDerWaalsContact C-N 3.31Å; K42-C44 PolarHBondContact O-N 2.86Å; K42-S45 WeakPolarHBondContact O-CB 3.43Å; K42-S45 PolarHBondContact O-N 2.72Å; K42-E46 PolarHBondContact O-N 3.36Å
43K87.1Confident85.7Confident136 Ų13681.2 Ų81.259%0.59144%0.443SS*.Hα-helixtrans-57.4-40.6177.7-73.1177.9-178.4-179.10112.7E39 F40 R47E39-K43 WeakPolarHBondContact O-CG 3.41Å; E39-K43 PolarHBondContact O-N 2.94Å; F40-K43 PolarHBondContact O-N 2.91Å; K43-R47 VanDerWaalsContact O-CB 3.28Å; K43-R47 WeakPolarHBondContact O-CB 3.19Å; K43-R47 PolarHBondContact O-N 3.41Å
44C89.4Confident86.3Confident3 Ų387.4 Ų87.42%0.0246%0.461CS..Hα-helixtrans-67.3-40.6175.6-69.20000112.1F18 V19 F40 S41 K42 W48F18-C44 HydrophobicContact CE1-CB 4.18Å; F18-C44 VanDerWaalsContact CE1-O 3.3Å; F18-C44 WeakPolarHBondContact CE1-O 3.16Å; V19-C44 HydrophobicContact CG2-CB 4.06Å; F40-C44 WeakPolarHBondContact CE1-SG 3.42Å; F40-C44 WeakPolarHBondContact CZ-SG 3.22Å; F40-C44 PolarHBondContact O-N 2.88Å; F40-C44 PolarHBondContact O-SG 3.06Å; S41-C44 PolarHBondContact O-N 2.91Å; K42-C44 VanDerWaalsContact C-N 3.31Å; K42-C44 PolarHBondContact O-N 2.86Å; C44-W48 VanDerWaalsContact O-CB 3.28Å; C44-W48 WeakPolarHBondContact O-CB 3.4Å; C44-W48 PolarHBondContact O-N 3.38Å
45S88.3Confident86.9Confident43 Ų4386 Ų8630%0.30144%0.441SS..Hα-helixtrans-62.8-45.6177.4-170.10000111.8Y15 S41 K42 W48 K49Y15-S45 PolarHBondContact OH-N 3.05Å; S41-S45 PolarHBondContact O-N 2.93Å; K42-S45 WeakPolarHBondContact O-CB 3.43Å; K42-S45 PolarHBondContact O-N 2.72Å; S45-W48 PolarHBondContact O-N 2.62Å; S45-K49 WeakPolarHBondContact O-CG 3.42Å; S45-K49 PolarHBondContact O-N 3.38Å
46E90.1Very high87.7Confident124 Ų12484.5 Ų84.558%0.57943%0.428SS*.Hα-helixtrans-62.1-50.5176.7-70.5171.917200111.3K42 W48 K49 T50K42-E46 PolarHBondContact O-N 3.36Å; E46-W48 VanDerWaalsContact C-N 3.31Å; E46-W48 PolarHBondContact O-N 3.01Å; E46-K49 WeakPolarHBondContact O-CB 3.42Å; E46-K49 PolarHBondContact O-N 3.18Å; E46-K49 VanDerWaalsContact O-N 3.1Å; E46-T50 PolarHBondContact O-N 3.37Å; E46-T50 PolarHBondContact O-OG1 3.38Å
47R87.8Confident88Confident117 Ų11780.5 Ų80.544%0.44241%0.411SS..Hα-helixtrans-58.8-43.1178.6-171.6176.9178-176.4-1.5111.3F18 E25 K43 K49 T50 M51F18-R47 HydrophobicContact CE2-CG 4.31Å; F18-R47 HydrophobicContact CZ-CB 3.89Å; F18-R47 HydrophobicContact CZ-CG 3.72Å; E25-R47 IonicContact OE2-CZ 3.68Å; E25-R47 IonicContact OE2-NH1 3.84Å; E25-R47 PolarHBondContact OE2-NH1 3.11Å; E25-R47 IonicContact OE2-NH2 3.45Å; E25-R47 PolarHBondContact OE2-NH2 3.45Å; K43-R47 VanDerWaalsContact O-CB 3.28Å; K43-R47 WeakPolarHBondContact O-CB 3.19Å; K43-R47 PolarHBondContact O-N 3.41Å; R47-K49 PolarHBondContact O-N 3.38Å; R47-T50 WeakPolarHBondContact CA-OG1 3.44Å; R47-T50 PolarHBondContact O-N 2.96Å; R47-T50 PolarHBondContact O-OG1 2.91Å; R47-M51 WeakPolarHBondContact O-CG 3.48Å; R47-M51 PolarHBondContact O-N 2.63Å
48W90.8Very high88.7Confident45 Ų4581.3 Ų81.317%0.1741%0.414CS..Hα-helixtrans-62.3-40.8176.3-177.5-102.9000112.5Y15 F18 C44 S45 E46 T50 M51 K56 F59Y15-W48 HydrophobicContact CD2-CB 3.88Å; Y15-W48 AromaticContact CD2-CD1 3.79Å; Y15-W48 AromaticContact CD2-CD2 3.6Å; Y15-W48 HydrophobicContact CD2-CD2 3.6Å; Y15-W48 AromaticContact CD2-CE2 3.99Å; Y15-W48 HydrophobicContact CD2-CE3 4.09Å; Y15-W48 AromaticContact CD2-CG 3.48Å; Y15-W48 HydrophobicContact CD2-CG 3.48Å; Y15-W48 VanDerWaalsContact CD2-CG 3.48Å; Y15-W48 HydrophobicContact CE2-CB 3.63Å; Y15-W48 HydrophobicContact CE2-CD2 4.3Å; Y15-W48 AromaticContact CE2-CG 3.76Å; Y15-W48 HydrophobicContact CE2-CG 3.76Å; F18-W48 HydrophobicContact CB-CE3 3.61Å; F18-W48 HydrophobicContact CB-CZ3 3.47Å; F18-W48 VanDerWaalsContact CB-CZ3 3.47Å; F18-W48 HydrophobicContact CD1-CB 4.15Å; F18-W48 HydrophobicContact CD1-CD2 4.29Å; F18-W48 AromaticContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CE3 3.54Å; F18-W48 HydrophobicContact CD1-CZ3 4.31Å; F18-W48 AromaticContact CD2-CE3 3.85Å; F18-W48 HydrophobicContact CD2-CE3 3.85Å; F18-W48 HydrophobicContact CD2-CZ3 4.15Å; F18-W48 HydrophobicContact CE1-CB 3.83Å; F18-W48 HydrophobicContact CE1-CE3 4.16Å; F18-W48 HydrophobicContact CE2-CE3 4.41Å; F18-W48 HydrophobicContact CG-CD2 4.47Å; F18-W48 AromaticContact CG-CE3 3.36Å; F18-W48 HydrophobicContact CG-CE3 3.36Å; F18-W48 AromaticContact CG-CZ3 3.71Å; F18-W48 HydrophobicContact CG-CZ3 3.71Å; F18-W48 HydrophobicContact CZ-CB 4.4Å; C44-W48 VanDerWaalsContact O-CB 3.28Å; C44-W48 WeakPolarHBondContact O-CB 3.4Å; C44-W48 PolarHBondContact O-N 3.38Å; S45-W48 PolarHBondContact O-N 2.62Å; E46-W48 VanDerWaalsContact C-N 3.31Å; E46-W48 PolarHBondContact O-N 3.01Å; W48-T50 VanDerWaalsContact C-N 3.34Å; W48-T50 PolarHBondContact O-N 3.4Å; W48-M51 HydrophobicContact CD2-CE 4.35Å; W48-M51 HydrophobicContact CE3-CE 3.34Å; W48-M51 HydrophobicContact CZ3-CE 3.45Å; W48-M51 VanDerWaalsContact CZ3-CE 3.45Å; W48-M51 PolarHBondContact O-N 2.96Å; W48-K56 HydrophobicContact CE3-CG 4.44Å; W48-K56 HydrophobicContact CH2-CB 4.23Å; W48-K56 HydrophobicContact CH2-CG 3.94Å; W48-K56 HydrophobicContact CZ2-CD 4.4Å; W48-K56 HydrophobicContact CZ2-CG 4.06Å; W48-K56 HydrophobicContact CZ3-CG 4.13Å; W48-K56 WeakPolarHBondContact O-CE 3.26Å; W48-K56 PolarHBondContact O-NZ 2.95Å; W48-F59 HydrophobicContact CH2-CB 4.03Å; W48-F59 HydrophobicContact CH2-CD2 4.47Å; W48-F59 HydrophobicContact CZ3-CB 4.08Å; W48-F59 AromaticContact CZ3-CD2 3.81Å; W48-F59 HydrophobicContact CZ3-CD2 3.81Å; W48-F59 HydrophobicContact CZ3-CG 4.09Å
49K90.9Very high89.1Confident156 Ų15680.2 Ų80.268%0.67840%0.4SS*.Hα-helixtrans-63-42176.4-73.4174.3-177.5-179.20111.5S45 E46 R47 K56S45-K49 WeakPolarHBondContact O-CG 3.42Å; S45-K49 PolarHBondContact O-N 3.38Å; E46-K49 WeakPolarHBondContact O-CB 3.42Å; E46-K49 PolarHBondContact O-N 3.18Å; E46-K49 VanDerWaalsContact O-N 3.1Å; R47-K49 PolarHBondContact O-N 3.38Å; K49-K56 PolarHBondContact O-NZ 3.26Å
50T89.6Confident89.5Confident117 Ų11780.4 Ų80.472%0.71840%0.401SS*.Hα-helixtrans-79.7-12.1-179.759.60000114.3E46 R47 W48E46-T50 PolarHBondContact O-N 3.37Å; E46-T50 PolarHBondContact O-OG1 3.38Å; R47-T50 WeakPolarHBondContact CA-OG1 3.44Å; R47-T50 PolarHBondContact O-N 2.96Å; R47-T50 PolarHBondContact O-OG1 2.91Å; W48-T50 VanDerWaalsContact C-N 3.34Å; W48-T50 PolarHBondContact O-N 3.4Å
51M87.3Confident89.8Confident19 Ų1983.3 Ų83.39%0.09442%0.417CS..SBendtrans-68141.2177.1-71.9-147.1-49.200111.8F18 R47 W48 E55 K56 F59F18-M51 HydrophobicContact CD2-CE 3.56Å; F18-M51 HydrophobicContact CD2-SD 3.91Å; F18-M51 HydrophobicContact CE2-CE 3.66Å; F18-M51 HydrophobicContact CE2-CG 4.38Å; F18-M51 HydrophobicContact CE2-SD 3.45Å; F18-M51 WeakPolarHBondContact CE2-SD 2.78Å; F18-M51 HydrophobicContact CG-CE 4.3Å; F18-M51 HydrophobicContact CZ-CE 4.47Å; F18-M51 HydrophobicContact CZ-SD 4.29Å; R47-M51 WeakPolarHBondContact O-CG 3.48Å; R47-M51 PolarHBondContact O-N 2.63Å; W48-M51 HydrophobicContact CD2-CE 4.35Å; W48-M51 HydrophobicContact CE3-CE 3.34Å; W48-M51 HydrophobicContact CZ3-CE 3.45Å; W48-M51 VanDerWaalsContact CZ3-CE 3.45Å; W48-M51 PolarHBondContact O-N 2.96Å; M51-E55 HydrophobicContact CB-CB 4.32Å; M51-E55 HydrophobicContact CE-CB 4.32Å; M51-E55 HydrophobicContact SD-CB 3.97Å; M51-K56 HydrophobicContact CB-CG 4.17Å; M51-K56 HydrophobicContact CE-CG 3.95Å; M51-K56 WeakPolarHBondContact O-CE 3.35Å; M51-K56 PolarHBondContact O-NZ 3.42Å; M51-F59 HydrophobicContact CE-CD2 3.84Å; M51-F59 HydrophobicContact CE-CE2 3.71Å; M51-F59 HydrophobicContact SD-CE2 4.33Å
52S91.3Very high90.2Very high56 Ų5684.1 Ų84.139%0.39242%0.417SS..  trans-68.5157.8175.5660000111.9K54 E55 K56S52-K54 PolarHBondContact O-N 2.83Å; S52-E55 WeakPolarHBondContact CB-OE2 3.29Å; S52-E55 PolarHBondContact N-OE2 3.49Å; S52-E55 PolarHBondContact O-N 3.35Å; S52-E55 VanDerWaalsContact O-N 3.11Å; S52-E55 WeakPolarHBondContact OG-CG 3.43Å; S52-E55 PolarHBondContact OG-N 3.16Å; S52-E55 PolarHBondContact OG-OE2 2.87Å; S52-K56 PolarHBondContact O-N 2.86Å
53A88.9Confident90.3Very high86 Ų8679.5 Ų79.571%0.71140%0.401SS*.Hα-helixtrans-57-33.7175.600000112.2K56 G57A53-K56 PolarHBondContact O-N 3.42Å; A53-G57 PolarHBondContact O-N 2.99Å
54K89Confident90.7Very high180 Ų18079 Ų7978%0.78340%0.398SS*.Hα-helixtrans-67.8-35.9178-168.6172-176.3172.60112.8S52S52-K54 PolarHBondContact O-N 2.83Å
55E86.8Confident90.8Very high93 Ų9385 Ų8544%0.43543%0.426SS..Hα-helixtrans-75.5-38.5175.7-68.8165.7124.400111.5M51 S52 G57 F59M51-E55 HydrophobicContact CB-CB 4.32Å; M51-E55 HydrophobicContact CE-CB 4.32Å; M51-E55 HydrophobicContact SD-CB 3.97Å; S52-E55 WeakPolarHBondContact CB-OE2 3.29Å; S52-E55 PolarHBondContact N-OE2 3.49Å; S52-E55 PolarHBondContact O-N 3.35Å; S52-E55 VanDerWaalsContact O-N 3.11Å; S52-E55 WeakPolarHBondContact OG-CG 3.43Å; S52-E55 PolarHBondContact OG-N 3.16Å; S52-E55 PolarHBondContact OG-OE2 2.87Å; E55-G57 VanDerWaalsContact C-N 3.34Å; E55-F59 WeakPolarHBondContact O-CD2 3.47Å
56K91.4Very high91Very high41 Ų4183.1 Ų83.118%0.17841%0.413CS..Hα-helixtrans-64.1-37.5173.2-71.8172.1173.8148.40112.2W48 K49 M51 S52 A53 K58 F59 E60W48-K56 HydrophobicContact CE3-CG 4.44Å; W48-K56 HydrophobicContact CH2-CB 4.23Å; W48-K56 HydrophobicContact CH2-CG 3.94Å; W48-K56 HydrophobicContact CZ2-CD 4.4Å; W48-K56 HydrophobicContact CZ2-CG 4.06Å; W48-K56 HydrophobicContact CZ3-CG 4.13Å; W48-K56 WeakPolarHBondContact O-CE 3.26Å; W48-K56 PolarHBondContact O-NZ 2.95Å; K49-K56 PolarHBondContact O-NZ 3.26Å; M51-K56 HydrophobicContact CB-CG 4.17Å; M51-K56 HydrophobicContact CE-CG 3.95Å; M51-K56 WeakPolarHBondContact O-CE 3.35Å; M51-K56 PolarHBondContact O-NZ 3.42Å; S52-K56 PolarHBondContact O-N 2.86Å; A53-K56 PolarHBondContact O-N 3.42Å; K56-K58 VanDerWaalsContact C-N 3.25Å; K56-K58 PolarHBondContact O-N 3.3Å; K56-F59 WeakPolarHBondContact O-CA 3.21Å; K56-F59 WeakPolarHBondContact O-CB 3.41Å; K56-F59 PolarHBondContact O-N 3.5Å; K56-E60 PolarHBondContact O-N 3.38Å
57G92Very high91.1Very high17 Ų1782 Ų8218%0.17541%0.406CS..Hα-helixtrans-53.4-40.5179.300000113A53 E55 F59 E60 D61A53-G57 PolarHBondContact O-N 2.99Å; E55-G57 VanDerWaalsContact C-N 3.34Å; G57-F59 VanDerWaalsContact C-N 3.28Å; G57-F59 PolarHBondContact O-N 3.22Å; G57-E60 PolarHBondContact O-N 3.15Å; G57-D61 PolarHBondContact O-N 2.79Å
58K91.9Very high91.3Very high151 Ų15178.6 Ų78.666%0.65740%0.403SS*.Hα-helixtrans-58.6-39.7175.2-62.3-178.5-179.1-179.90112.7K56 L62K56-K58 VanDerWaalsContact C-N 3.25Å; K56-K58 PolarHBondContact O-N 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.37Å; K58-L62 PolarHBondContact O-N 3.45Å
59F92.9Very high91.4Very high29 Ų2980.6 Ų80.613%0.12741%0.41CS..Hα-helixtrans-79.6-29.7179.2-62.3-72.4000112.5S14 F18 T21 W48 M51 E55 K56 G57 L62 A63S14-F59 WeakPolarHBondContact CA-O 3.33Å; S14-F59 VanDerWaalsContact CB-C 3.48Å; S14-F59 VanDerWaalsContact CB-O 3.28Å; S14-F59 WeakPolarHBondContact CB-O 3.33Å; S14-F59 WeakPolarHBondContact O-CB 3.34Å; F18-F59 HydrophobicContact CB-CD1 3.89Å; F18-F59 HydrophobicContact CB-CD2 4.19Å; F18-F59 HydrophobicContact CB-CE1 3.97Å; F18-F59 HydrophobicContact CB-CE2 4.27Å; F18-F59 HydrophobicContact CB-CG 4.01Å; F18-F59 HydrophobicContact CB-CZ 4.16Å; F18-F59 HydrophobicContact CD2-CD2 4.28Å; F18-F59 HydrophobicContact CD2-CE1 4.36Å; F18-F59 AromaticContact CD2-CE2 3.69Å; F18-F59 HydrophobicContact CD2-CE2 3.69Å; F18-F59 AromaticContact CD2-CZ 3.73Å; F18-F59 HydrophobicContact CD2-CZ 3.73Å; F18-F59 HydrophobicContact CG-CE2 4.45Å; F18-F59 HydrophobicContact CG-CZ 4.45Å; T21-F59 HydrophobicContact CG2-CE1 3.88Å; W48-F59 HydrophobicContact CH2-CB 4.03Å; W48-F59 HydrophobicContact CH2-CD2 4.47Å; W48-F59 HydrophobicContact CZ3-CB 4.08Å; W48-F59 AromaticContact CZ3-CD2 3.81Å; W48-F59 HydrophobicContact CZ3-CD2 3.81Å; W48-F59 HydrophobicContact CZ3-CG 4.09Å; M51-F59 HydrophobicContact CE-CD2 3.84Å; M51-F59 HydrophobicContact CE-CE2 3.71Å; M51-F59 HydrophobicContact SD-CE2 4.33Å; E55-F59 WeakPolarHBondContact O-CD2 3.47Å; K56-F59 WeakPolarHBondContact O-CA 3.21Å; K56-F59 WeakPolarHBondContact O-CB 3.41Å; K56-F59 PolarHBondContact O-N 3.5Å; G57-F59 VanDerWaalsContact C-N 3.28Å; G57-F59 PolarHBondContact O-N 3.22Å; F59-L62 HydrophobicContact CD1-CD1 4.33Å; F59-A63 WeakPolarHBondContact O-CB 3.43Å; F59-A63 PolarHBondContact O-N 2.9Å
60E92.6Very high91.4Very high89 Ų8975.6 Ų75.642%0.41639%0.387SS..Hα-helixtrans-65.4-42.3171.5-70.2177.8-174.500111.5K56 G57 L62 A63 K64K56-E60 PolarHBondContact O-N 3.38Å; G57-E60 PolarHBondContact O-N 3.15Å; E60-L62 PolarHBondContact O-N 3.48Å; E60-A63 WeakPolarHBondContact O-CB 3.4Å; E60-A63 PolarHBondContact O-N 3.43Å; E60-A63 VanDerWaalsContact O-N 3.17Å; E60-K64 WeakPolarHBondContact O-CG 3.47Å; E60-K64 PolarHBondContact O-N 3.43Å
61D93.4Very high91.2Very high80 Ų8074.7 Ų74.743%0.42838%0.375SS..Hα-helixtrans-66.2-38.7176.7-66-26.5000111.8G57 A63 K64 Q65G57-D61 PolarHBondContact O-N 2.79Å; D61-A63 VanDerWaalsContact C-N 3.33Å; D61-A63 PolarHBondContact O-N 3.08Å; D61-K64 PolarHBondContact O-N 2.83Å; D61-K64 IonicContact OD1-NZ 2.95Å; D61-K64 PolarHBondContact OD1-NZ 3.13Å; D61-Q65 WeakPolarHBondContact O-CG 3.35Å; D61-Q65 PolarHBondContact O-N 2.83Å
62L91.9Very high91.3Very high68 Ų6882.9 Ų82.936%0.35641%0.405SS..Hα-helixtrans-61.1-40.6170.8-73.9170.8000112.3Y17 K58 F59 E60 Q65 D66Y17-L62 HydrophobicContact CD2-CB 4.13Å; Y17-L62 HydrophobicContact CE2-CB 4.39Å; Y17-L62 HydrophobicContact CG-CB 4.2Å; K58-L62 WeakPolarHBondContact O-CG 3.37Å; K58-L62 PolarHBondContact O-N 3.45Å; F59-L62 HydrophobicContact CD1-CD1 4.33Å; E60-L62 PolarHBondContact O-N 3.48Å; L62-Q65 PolarHBondContact O-N 3.21Å; L62-D66 WeakPolarHBondContact O-CB 3.28Å; L62-D66 PolarHBondContact O-N 2.82Å
63A93.6Very high91.2Very high20 Ų2083.4 Ų83.417%0.16540%0.401CS..Hα-helixtrans-67.5-36.4176.800000112.4F59 E60 D61 D66 K67F59-A63 WeakPolarHBondContact O-CB 3.43Å; F59-A63 PolarHBondContact O-N 2.9Å; E60-A63 WeakPolarHBondContact O-CB 3.4Å; E60-A63 PolarHBondContact O-N 3.43Å; E60-A63 VanDerWaalsContact O-N 3.17Å; D61-A63 VanDerWaalsContact C-N 3.33Å; D61-A63 PolarHBondContact O-N 3.08Å; A63-D66 PolarHBondContact O-N 2.78Å; A63-K67 WeakPolarHBondContact O-CB 3.4Å; A63-K67 PolarHBondContact O-N 3.19Å
64K93.6Very high91Very high124 Ų12482.6 Ų82.654%0.53938%0.383SS..Hα-helixtrans-64-45173.3-69.5171.1-164.5157.50111.2E60 D61 D66 K67 A68E60-K64 WeakPolarHBondContact O-CG 3.47Å; E60-K64 PolarHBondContact O-N 3.43Å; D61-K64 PolarHBondContact O-N 2.83Å; D61-K64 IonicContact OD1-NZ 2.95Å; D61-K64 PolarHBondContact OD1-NZ 3.13Å; K64-D66 VanDerWaalsContact C-N 3.31Å; K64-D66 PolarHBondContact O-N 3.1Å; K64-K67 WeakPolarHBondContact O-CB 3.47Å; K64-K67 PolarHBondContact O-N 2.79Å; K64-A68 PolarHBondContact O-N 2.9Å
65Q92.9Very high90.8Very high130 Ų13081.6 Ų81.661%0.60739%0.386SS*.Hα-helixtrans-62.9-40.1176.2-71.5176.82.800111.7D61 L62 A68 R69D61-Q65 WeakPolarHBondContact O-CG 3.35Å; D61-Q65 PolarHBondContact O-N 2.83Å; L62-Q65 PolarHBondContact O-N 3.21Å; Q65-A68 PolarHBondContact O-N 3.41Å; Q65-R69 WeakPolarHBondContact O-CB 3.31Å; Q65-R69 PolarHBondContact O-N 2.89Å
66D91.6Very high90.7Very high3 Ų381.6 Ų81.62%0.01640%0.396CS..Hα-helixtrans-67.9-37177.5-168.968.2000112.9R9 K11 M12 Y17 L62 A63 K64 R69 Y70R9-D66 IonicContact NH2-OD1 2.79Å; K11-D66 WeakPolarHBondContact CA-OD2 3.44Å; M12-D66 PolarHBondContact N-OD2 3.01Å; Y17-D66 HydrophobicContact CE2-CB 3.7Å; Y17-D66 VanDerWaalsContact OH-CB 3.27Å; Y17-D66 WeakPolarHBondContact OH-CB 2.95Å; Y17-D66 PolarHBondContact OH-OD1 3.13Å; L62-D66 WeakPolarHBondContact O-CB 3.28Å; L62-D66 PolarHBondContact O-N 2.82Å; A63-D66 PolarHBondContact O-N 2.78Å; K64-D66 VanDerWaalsContact C-N 3.31Å; K64-D66 PolarHBondContact O-N 3.1Å; D66-R69 PolarHBondContact O-N 3.3Å; D66-R69 IonicContact OD1-CZ 2.59Å; D66-R69 IonicContact OD1-NE 3.06Å; D66-R69 PolarHBondContact OD1-NE 3.18Å; D66-R69 IonicContact OD1-NH2 2.94Å; D66-R69 PolarHBondContact OD1-NH2 3.49Å; D66-Y70 WeakPolarHBondContact O-CB 3.38Å; D66-Y70 PolarHBondContact O-N 3.12Å
67K92.1Very high90.3Very high101 Ų10181.6 Ų81.644%0.43940%0.396SS..Hα-helixtrans-58.2-50.2170.4-179.3-175.3168-170.60110.5A63 K64 R69 Y70 E71A63-K67 WeakPolarHBondContact O-CB 3.4Å; A63-K67 PolarHBondContact O-N 3.19Å; K64-K67 WeakPolarHBondContact O-CB 3.47Å; K64-K67 PolarHBondContact O-N 2.79Å; K67-R69 VanDerWaalsContact C-N 3.34Å; K67-R69 PolarHBondContact O-N 3.17Å; K67-Y70 PolarHBondContact O-N 3.37Å; K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 WeakPolarHBondContact CG-OE1 3.39Å; K67-E71 IonicContact NZ-OE1 2.84Å; K67-E71 WeakPolarHBondContact O-CG 3.2Å; K67-E71 PolarHBondContact O-N 2.9Å
68A92.6Very high89.5Confident45 Ų4586.7 Ų86.737%0.37242%0.423SS..Hα-helixtrans-62.9-38.4178.600000112.7K64 Q65 R72K64-A68 PolarHBondContact O-N 2.9Å; Q65-A68 PolarHBondContact O-N 3.41Å; A68-R72 WeakPolarHBondContact O-CB 3.3Å; A68-R72 PolarHBondContact O-N 3.26Å
69R93.6Very high88.7Confident87 Ų8783.3 Ų83.333%0.32842%0.416SS..Hα-helixtrans-60.7-48.2172.5171.9-99-70.9-87.7-9111R9 Q65 D66 K67 E71 R72 E73R9-R69 VanDerWaalsContact NH2-NH2 3.17Å; Q65-R69 WeakPolarHBondContact O-CB 3.31Å; Q65-R69 PolarHBondContact O-N 2.89Å; D66-R69 PolarHBondContact O-N 3.3Å; D66-R69 IonicContact OD1-CZ 2.59Å; D66-R69 IonicContact OD1-NE 3.06Å; D66-R69 PolarHBondContact OD1-NE 3.18Å; D66-R69 IonicContact OD1-NH2 2.94Å; D66-R69 PolarHBondContact OD1-NH2 3.49Å; K67-R69 VanDerWaalsContact C-N 3.34Å; K67-R69 PolarHBondContact O-N 3.17Å; R69-E71 PolarHBondContact O-N 3.06Å; R69-R72 PolarHBondContact O-N 3.27Å; R69-E73 VanDerWaalsContact CD-OE1 3.28Å; R69-E73 WeakPolarHBondContact CD-OE1 3.45Å; R69-E73 HydrophobicContact CG-CG 4.48Å; R69-E73 WeakPolarHBondContact CG-OE1 3.4Å; R69-E73 WeakPolarHBondContact O-CB 3.36Å; R69-E73 WeakPolarHBondContact O-CG 3.34Å; R69-E73 PolarHBondContact O-N 3.49Å
70Y90.1Very high87.4Confident51 Ų5185 Ų8520%0.244%0.435CS..Hα-helixtrans-62.9-42.6179.8177.7-104.2000111.8P8 R9 K11 D66 K67 E73 M74P8-Y70 HydrophobicContact CB-CD2 4.19Å; P8-Y70 HydrophobicContact CB-CE2 4.16Å; R9-Y70 WeakPolarHBondContact O-CD2 3.5Å; K11-Y70 HydrophobicContact CB-CG 4.31Å; D66-Y70 WeakPolarHBondContact O-CB 3.38Å; D66-Y70 PolarHBondContact O-N 3.12Å; K67-Y70 PolarHBondContact O-N 3.37Å; Y70-E73 PolarHBondContact O-N 3Å; Y70-M74 HydrophobicContact CD1-CG 4.06Å; Y70-M74 HydrophobicContact CD2-CG 4.09Å; Y70-M74 HydrophobicContact CE1-CG 3.63Å; Y70-M74 HydrophobicContact CE2-CG 3.68Å; Y70-M74 HydrophobicContact CE2-SD 4.05Å; Y70-M74 HydrophobicContact CG-CG 4.29Å; Y70-M74 VanDerWaalsContact CZ-CG 3.43Å; Y70-M74 VanDerWaalsContact O-CB 3.22Å; Y70-M74 WeakPolarHBondContact O-CB 3.13Å; Y70-M74 VanDerWaalsContact O-CG 3.24Å; Y70-M74 WeakPolarHBondContact O-CG 3.28Å; Y70-M74 PolarHBondContact O-N 3.48Å
71E86.1Confident85.8Confident98 Ų9893.1 Ų93.146%0.45846%0.462SS..Hα-helixtrans-62.7-44.3177-74.9167178.700111.6K67 R69 M74 L75K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 WeakPolarHBondContact CG-OE1 3.39Å; K67-E71 IonicContact NZ-OE1 2.84Å; K67-E71 WeakPolarHBondContact O-CG 3.2Å; K67-E71 PolarHBondContact O-N 2.9Å; R69-E71 PolarHBondContact O-N 3.06Å; E71-M74 PolarHBondContact O-N 2.64Å; E71-L75 WeakPolarHBondContact O-CB 3.39Å; E71-L75 PolarHBondContact O-N 2.89Å
72R89.9Confident84Confident191 Ų19192.6 Ų92.672%0.72148%0.476SS*.Hα-helixtrans-63.6-43.2175.8-173-174.5-62.7156.90.2112.7A68 R69 L75 S76A68-R72 WeakPolarHBondContact O-CB 3.3Å; A68-R72 PolarHBondContact O-N 3.26Å; R69-R72 PolarHBondContact O-N 3.27Å; R72-L75 PolarHBondContact O-N 2.71Å; R72-S76 PolarHBondContact O-N 3.17Å; R72-S76 PolarHBondContact O-OG 3.31Å
73E88.1Confident82.1Confident68 Ų6892.2 Ų92.232%0.31849%0.489SS..Hα-helixtrans-68.7-34.6176.9-72.2176.8-173.200111.8P8 R69 Y70 S76 Y77P8-E73 HydrophobicContact CB-CB 3.74Å; P8-E73 HydrophobicContact CG-CB 3.81Å; P8-E73 WeakPolarHBondContact CG-O 3.5Å; R69-E73 VanDerWaalsContact CD-OE1 3.28Å; R69-E73 WeakPolarHBondContact CD-OE1 3.45Å; R69-E73 HydrophobicContact CG-CG 4.48Å; R69-E73 WeakPolarHBondContact CG-OE1 3.4Å; R69-E73 WeakPolarHBondContact O-CB 3.36Å; R69-E73 WeakPolarHBondContact O-CG 3.34Å; R69-E73 PolarHBondContact O-N 3.49Å; Y70-E73 PolarHBondContact O-N 3Å; E73-S76 PolarHBondContact O-OG 3.14Å; E73-Y77 WeakPolarHBondContact O-CB 3.18Å; E73-Y77 PolarHBondContact O-N 3.2Å
74M84.5Confident80.3Confident68 Ų68101.2 Ų101.234%0.33552%0.524SS..Hα-helixtrans-70.3-34.7175.1-81-65.6-56.300112.5P8 Y70 E71 S76 Y77P8-M74 HydrophobicContact CB-CG 4.35Å; P8-M74 HydrophobicContact CB-SD 4.25Å; P8-M74 HydrophobicContact CG-CG 4.29Å; P8-M74 HydrophobicContact CG-SD 3.95Å; Y70-M74 HydrophobicContact CD1-CG 4.06Å; Y70-M74 HydrophobicContact CD2-CG 4.09Å; Y70-M74 HydrophobicContact CE1-CG 3.63Å; Y70-M74 HydrophobicContact CE2-CG 3.68Å; Y70-M74 HydrophobicContact CE2-SD 4.05Å; Y70-M74 HydrophobicContact CG-CG 4.29Å; Y70-M74 VanDerWaalsContact CZ-CG 3.43Å; Y70-M74 VanDerWaalsContact O-CB 3.22Å; Y70-M74 WeakPolarHBondContact O-CB 3.13Å; Y70-M74 VanDerWaalsContact O-CG 3.24Å; Y70-M74 WeakPolarHBondContact O-CG 3.28Å; Y70-M74 PolarHBondContact O-N 3.48Å; E71-M74 PolarHBondContact O-N 2.64Å; M74-S76 VanDerWaalsContact C-N 3.29Å; M74-S76 PolarHBondContact O-N 2.85Å; M74-Y77 HydrophobicContact CE-CD1 4.29Å; M74-Y77 PolarHBondContact O-N 3.25Å; M74-Y77 HydrophobicContact SD-CD1 4.11Å
75L85.8Confident78.3Confident159 Ų159103.6 Ų103.683%0.83254%0.535SS*.Hα-helixtrans-64.1-35.5176.7-172.167.1000112E71 R72E71-L75 WeakPolarHBondContact O-CB 3.39Å; E71-L75 PolarHBondContact O-N 2.89Å; R72-L75 PolarHBondContact O-N 2.71Å
76S84.6Confident76.5Confident94 Ų94106.4 Ų106.466%0.65755%0.545SS*.Hα-helixtrans-89.2-8.2175.661.70000113.8R72 E73 M74 V78R72-S76 PolarHBondContact O-N 3.17Å; R72-S76 PolarHBondContact O-OG 3.31Å; E73-S76 PolarHBondContact O-OG 3.14Å; M74-S76 VanDerWaalsContact C-N 3.29Å; M74-S76 PolarHBondContact O-N 2.85Å; S76-V78 PolarHBondContact O-N 2.98Å
77Y82.9Confident74.9Confident41 Ų41113 Ų11316%0.16157%0.573CS.*  trans-77.6107.5178.2176.1-119.4000110.5D4 T6 K7 P8 E73 M74 P79D4-Y77 PolarHBondContact OD2-OH 2.92Å; T6-Y77 VanDerWaalsContact O-CD2 3.24Å; T6-Y77 WeakPolarHBondContact O-CD2 3.48Å; T6-Y77 WeakPolarHBondContact O-CE2 3.43Å; K7-Y77 HydrophobicContact CB-CE2 4.21Å; K7-Y77 HydrophobicContact CG-CE1 4.24Å; P8-Y77 VanDerWaalsContact CD-CG 3.42Å; P8-Y77 HydrophobicContact CG-CD2 4.46Å; P8-Y77 HydrophobicContact CG-CG 4.05Å; E73-Y77 WeakPolarHBondContact O-CB 3.18Å; E73-Y77 PolarHBondContact O-N 3.2Å; M74-Y77 HydrophobicContact CE-CD1 4.29Å; M74-Y77 PolarHBondContact O-N 3.25Å; M74-Y77 HydrophobicContact SD-CD1 4.11Å; Y77-P79 HydrophobicContact CD1-CG 4.04Å; Y77-P79 HydrophobicContact CE1-CB 3.91Å; Y77-P79 HydrophobicContact CE1-CG 3.66Å; Y77-P79 WeakPolarHBondContact O-CD 3.45Å
78V75.3Confident73.1Confident124 Ų124116.9 Ų116.975%0.75259%0.59SS**  trans-89.7109.4163.3-178.10000106.8S76 A80S76-V78 PolarHBondContact O-N 2.98Å; V78-A80 PolarHBondContact O-N 2.79Å
79P73.9Confident71.9Confident79 Ų79121.3 Ų121.351%0.51360%0.601SS.*  trans-55.5130174.9-18.629.3000108.7Y77 R81Y77-P79 HydrophobicContact CD1-CG 4.04Å; Y77-P79 HydrophobicContact CE1-CB 3.91Å; Y77-P79 HydrophobicContact CE1-CG 3.66Å; Y77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-R81 PolarHBondContact O-N 3.48Å
80A67.1Low70.9Confident64 Ų64120 Ų12053%0.52960%0.601SS.*  trans-49.1142167.500000107.6V78 G82V78-A80 PolarHBondContact O-N 2.79Å; A80-G82 PolarHBondContact O-N 3.11Å
81R58.5Low70.2Confident260 Ų260122.6 Ų122.698%0.98162%0.624SS**SBendtrans-6232.1177-72.7-176.8174.4176.6-1.2113.3P79 G83P79-R81 PolarHBondContact O-N 3.48Å; R81-G83 PolarHBondContact O-N 3.22Å
82G54.7Low69.8Low69 Ų69123.9 Ų123.971%0.71163%0.634SS**  trans-72.481.4156.200000108.6A80 K84A80-G82 PolarHBondContact O-N 3.11Å; G82-K84 PolarHBondContact O-N 3.23Å
83G52.8Low69.3Low61 Ų61116.3 Ų116.363%0.62961%0.612SS**  trans-44.7136.5176.400000110.7R81 K85R81-G83 PolarHBondContact O-N 3.22Å; G83-K85 PolarHBondContact O-N 3.21Å
84K56.3Low69Low208 Ų208114.5 Ų114.590%0.90461%0.606SS**  trans-36.2114.7166.2-67.5179.4-179.3178.40106.4G82 K86G82-K84 PolarHBondContact O-N 3.23Å; K84-K86 PolarHBondContact O-N 3.04Å
85K51.4Low68.9Low175 Ų175120.3 Ų120.376%0.76163%0.63SS**  trans-45.1115.7178.7-82.8-177.1177.1176.50105.7G83 K87G83-K85 PolarHBondContact O-N 3.21Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.25Å
86K53.7Low69Low188 Ų188123.1 Ų123.182%0.81763%0.629SS**  trans-52.4106.2179.1-88.5-177.7179.1176.50105K84 F88K84-K86 PolarHBondContact O-N 3.04Å; K86-F88 PolarHBondContact O-N 3.24Å; K86-F88 VanDerWaalsContact O-N 3.15Å
87K58.3Low69.3Low141 Ų141120.6 Ų120.661%0.61361%0.61SS**PPolyproline II helixtrans-47.2128.1169.6-80.9-178.3171.7-178.60105.4K85 K89 D179K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.25Å; K87-K89 WeakPolarHBondContact O-CD 3.37Å; K87-K89 PolarHBondContact O-N 3.28Å; K87-K89 VanDerWaalsContact O-N 3.11Å; K87-K89 PolarHBondContact O-NZ 3.23Å; K87-D179 IonicContact NZ-OD2 2.79Å; K87-D179 PolarHBondContact NZ-OD2 3Å
88F54.3Low69.6Low183 Ų183121.5 Ų121.580%0.80362%0.622SS**PPolyproline II helixtrans-56.4118.5177-176.6-96.9000106.2K86 D90 P91K86-F88 PolarHBondContact O-N 3.24Å; K86-F88 VanDerWaalsContact O-N 3.15Å; F88-D90 PolarHBondContact O-N 3.2Å; F88-P91 HydrophobicContact CE1-CG 4.34Å
89K68.7Low70.4Confident138 Ų138118.5 Ų118.560%0.661%0.606SS**PPolyproline II helixtrans-73.5128.5-179.4-75.583.5-168.9146.20106.1K87 P91K87-K89 WeakPolarHBondContact O-CD 3.37Å; K87-K89 PolarHBondContact O-N 3.28Å; K87-K89 VanDerWaalsContact O-N 3.11Å; K87-K89 PolarHBondContact O-NZ 3.23Å; K89-P91 WeakPolarHBondContact O-CD 3.39Å
90D71.9Confident71.3Confident60 Ų60115.3 Ų115.332%0.32159%0.586SS.*PPolyproline II helixtrans-56.2122.9171.5-172.9-25000108.8F88 N92 A93 Y161F88-D90 PolarHBondContact O-N 3.2Å; D90-N92 PolarHBondContact O-N 3.45Å; D90-N92 WeakPolarHBondContact OD1-CB 3.47Å; D90-N92 PolarHBondContact OD1-N 3.33Å; D90-A93 HydrophobicContact CB-CB 3.92Å; D90-A93 PolarHBondContact O-N 3.19Å; D90-A93 VanDerWaalsContact O-N 3.16Å; D90-Y161 PolarHBondContact OD2-OH 2.94Å
91P76.1Confident72.4Confident106 Ų106115 Ų11569%0.68857%0.573SS**THydrogen-bonded Turntrans-58.3-24.5177.5-24.434.6000113.9F88 K89F88-P91 HydrophobicContact CE1-CG 4.34Å; K89-P91 WeakPolarHBondContact O-CD 3.39Å
92N76.9Confident74Confident125 Ų125108.9 Ų108.967%0.66855%0.554SS**THydrogen-bonded Turntrans-94.2-9.9-178.8-63.2-33.9000113.2D90 Y161D90-N92 PolarHBondContact O-N 3.45Å; D90-N92 WeakPolarHBondContact OD1-CB 3.47Å; D90-N92 PolarHBondContact OD1-N 3.33Å; N92-Y161 HydrophobicContact CB-CE2 4.19Å; N92-Y161 WeakPolarHBondContact O-CE2 3.46Å
93A79.7Confident75.7Confident31 Ų31106.4 Ų106.426%0.25652%0.524SS..SBendtrans-68.9137.9174.600000109.9D90 K95 Y161D90-A93 HydrophobicContact CB-CB 3.92Å; D90-A93 PolarHBondContact O-N 3.19Å; D90-A93 VanDerWaalsContact O-N 3.16Å; A93-K95 PolarHBondContact O-N 3.45Å; A93-Y161 HydrophobicContact CB-CE1 4.19Å
94P81.6Confident77.6Confident31 Ų31103.7 Ų103.720%0.20150%0.495CS..PPolyproline II helixtrans-48137.5168.3-28.235.6000110.4Y154 D157 I158 Y161P94-Y154 HydrophobicContact CB-CD2 3.9Å; P94-Y154 HydrophobicContact CB-CE2 3.65Å; P94-Y154 WeakPolarHBondContact O-CE2 3.34Å; P94-D157 HydrophobicContact CB-CB 4.14Å; P94-D157 HydrophobicContact CG-CB 4.02Å; P94-I158 HydrophobicContact CB-CD1 4.49Å; P94-I158 HydrophobicContact CG-CD1 4.13Å; P94-Y161 HydrophobicContact CG-CG 4.45Å
95K83.5Confident79.2Confident190 Ų19094.5 Ų94.583%0.82646%0.457SS*.PPolyproline II helixtrans-80.8138.3177-70.5177.8-177.5169.30109.8A93 Y154A93-K95 PolarHBondContact O-N 3.45Å; K95-Y154 VanDerWaalsContact C-CE2 3.4Å; K95-Y154 WeakPolarHBondContact O-CD2 3.46Å; K95-Y154 VanDerWaalsContact O-CE2 3.24Å; K95-Y154 WeakPolarHBondContact O-CE2 3.48Å
96R86.9Confident81Confident217 Ų21790 Ų9082%0.81945%0.447SS*.PPolyproline II helixtrans-55.6134.6175.3-65.8-179.675.8-179.85.2110.1
97P90.3Very high82.7Confident41 Ų4184.5 Ų84.527%0.26642%0.424SS..PPolyproline II helixtrans-69.8152.6179.527.9-31.9000110.6L150 Y154P97-L150 HydrophobicContact CB-CB 3.7Å; P97-Y154 VanDerWaalsContact CD-CG 3.49Å; P97-Y154 HydrophobicContact CG-CG 4.19Å
98P90.3Very high84.1Confident61 Ų6179.3 Ų79.340%0.39640%0.402SS..PPolyproline II helixtrans-66.1142.7173.128.9-34000110.7F102 I103 L150P98-F102 HydrophobicContact CB-CB 3.86Å; P98-I103 HydrophobicContact CB-CG1 4.2Å; P98-I103 HydrophobicContact CG-CG1 4Å; P98-L150 HydrophobicContact CG-CD1 4.05Å
99S92.1Very high85.8Confident60 Ų6076.1 Ų76.142%0.4239%0.385SS..PPolyproline II helixtrans-73.1167.1171.871.30000111.6F101 F102 I103S99-F101 VanDerWaalsContact C-N 3.25Å; S99-F101 PolarHBondContact O-N 3.41Å; S99-F102 PolarHBondContact O-N 2.9Å; S99-F102 WeakPolarHBondContact OG-CD2 3.33Å; S99-I103 WeakPolarHBondContact O-CG1 3.32Å; S99-I103 PolarHBondContact O-N 3.09Å
100A91.3Very high86.8Confident12 Ų1273.4 Ų73.410%0.09938%0.381CS..Hα-helixtrans-50.1-45.6178.100000112.5F102 I103 F104 W132 E144 A147A100-F102 PolarHBondContact O-N 3.47Å; A100-I103 WeakPolarHBondContact O-CB 3.24Å; A100-I103 PolarHBondContact O-N 3.3Å; A100-F104 PolarHBondContact O-N 2.88Å; A100-W132 HydrophobicContact CB-CH2 3.86Å; A100-W132 HydrophobicContact CB-CZ2 4.08Å; A100-E144 HydrophobicContact CB-CB 4.42Å; A100-E144 HydrophobicContact CB-CG 3.72Å; A100-A147 HydrophobicContact CB-CB 4.11Å
101F91Very high87.6Confident58 Ų5875.7 Ų75.725%0.25439%0.388SS..Hα-helixtrans-59.6-41.3175.2176-112.8000113.3S99 F104 C105 W132S99-F101 VanDerWaalsContact C-N 3.25Å; S99-F101 PolarHBondContact O-N 3.41Å; F101-F104 PolarHBondContact O-N 3.5Å; F101-C105 VanDerWaalsContact CE1-SG 3.56Å; F101-C105 WeakPolarHBondContact CE2-SG 3.22Å; F101-C105 WeakPolarHBondContact CZ-SG 3.34Å; F101-C105 WeakPolarHBondContact O-CB 3.24Å; F101-C105 PolarHBondContact O-N 3.29Å; F101-C105 PolarHBondContact O-SG 3.12Å; F101-W132 HydrophobicContact CB-CD2 4.42Å; F101-W132 HydrophobicContact CD2-CB 3.62Å; F101-W132 AromaticContact CD2-CD1 3.75Å; F101-W132 AromaticContact CD2-CD2 3.81Å; F101-W132 HydrophobicContact CD2-CD2 3.81Å; F101-W132 HydrophobicContact CD2-CE3 4.43Å; F101-W132 AromaticContact CD2-CG 3.42Å; F101-W132 HydrophobicContact CD2-CG 3.42Å; F101-W132 VanDerWaalsContact CD2-CG 3.42Å; F101-W132 HydrophobicContact CE2-CB 3.64Å; F101-W132 AromaticContact CE2-CG 3.97Å; F101-W132 HydrophobicContact CE2-CG 3.97Å; F101-W132 HydrophobicContact CG-CG 4.47Å
102F91.3Very high88.1Confident132 Ų13271.3 Ų71.358%0.57936%0.36SS*.Hα-helixtrans-70.6-33.3178-85-72.7000112.4P98 S99 A100 C105 S106P98-F102 HydrophobicContact CB-CB 3.86Å; S99-F102 PolarHBondContact O-N 2.9Å; S99-F102 WeakPolarHBondContact OG-CD2 3.33Å; A100-F102 PolarHBondContact O-N 3.47Å; F102-C105 PolarHBondContact O-N 3.43Å; F102-S106 WeakPolarHBondContact O-CB 3.36Å; F102-S106 PolarHBondContact O-N 3.28Å
103I92.4Very high88.6Confident17 Ų1772.1 Ų72.19%0.08736%0.357CS..Hα-helixtrans-63.6-49.6172.5-60.6169.9000109P98 S99 A100 C105 S106 E107 Y143 K146 A147 L150P98-I103 HydrophobicContact CB-CG1 4.2Å; P98-I103 HydrophobicContact CG-CG1 4Å; S99-I103 WeakPolarHBondContact O-CG1 3.32Å; S99-I103 PolarHBondContact O-N 3.09Å; A100-I103 WeakPolarHBondContact O-CB 3.24Å; A100-I103 PolarHBondContact O-N 3.3Å; I103-C105 PolarHBondContact O-N 3.18Å; I103-S106 WeakPolarHBondContact O-CB 3.44Å; I103-S106 PolarHBondContact O-N 3.36Å; I103-S106 VanDerWaalsContact O-N 3.13Å; I103-S106 PolarHBondContact O-OG 3Å; I103-E107 PolarHBondContact O-N 3.18Å; I103-Y143 HydrophobicContact CB-CD1 4.48Å; I103-Y143 HydrophobicContact CG2-CD1 3.95Å; I103-K146 HydrophobicContact CD1-CB 4Å; I103-K146 HydrophobicContact CG2-CD 4.18Å; I103-A147 HydrophobicContact CD1-CB 3.87Å; I103-L150 HydrophobicContact CD1-CD1 4.07Å
104F91.6Very high88.9Confident3 Ų373.3 Ų73.31%0.01337%0.373CS..Hα-helixtrans-56-50173.8173.2-95.9000112A100 F101 S106 E107 F108 L128 M131 W132 Y143A100-F104 PolarHBondContact O-N 2.88Å; F101-F104 PolarHBondContact O-N 3.5Å; F104-S106 PolarHBondContact O-N 2.66Å; F104-E107 PolarHBondContact O-N 3.39Å; F104-E107 VanDerWaalsContact O-N 3.07Å; F104-F108 HydrophobicContact CD1-CD2 4.48Å; F104-F108 AromaticContact CD2-CD2 3.48Å; F104-F108 HydrophobicContact CD2-CD2 3.48Å; F104-F108 VanDerWaalsContact CD2-CD2 3.48Å; F104-F108 AromaticContact CD2-CE2 3.49Å; F104-F108 HydrophobicContact CD2-CE2 3.49Å; F104-F108 VanDerWaalsContact CD2-CE2 3.49Å; F104-F108 HydrophobicContact CD2-CG 4.27Å; F104-F108 HydrophobicContact CD2-CZ 4.27Å; F104-F108 HydrophobicContact CE1-CB 4.31Å; F104-F108 HydrophobicContact CE1-CD2 4.35Å; F104-F108 HydrophobicContact CE1-CG 4.24Å; F104-F108 HydrophobicContact CE2-CD1 4.09Å; F104-F108 AromaticContact CE2-CD2 3.32Å; F104-F108 HydrophobicContact CE2-CD2 3.32Å; F104-F108 HydrophobicContact CE2-CE1 4Å; F104-F108 AromaticContact CE2-CE2 3.23Å; F104-F108 HydrophobicContact CE2-CE2 3.23Å; F104-F108 AromaticContact CE2-CG 3.76Å; F104-F108 HydrophobicContact CE2-CG 3.76Å; F104-F108 AromaticContact CE2-CZ 3.58Å; F104-F108 HydrophobicContact CE2-CZ 3.58Å; F104-F108 HydrophobicContact CG-CD2 4.07Å; F104-F108 HydrophobicContact CG-CE2 4.48Å; F104-F108 HydrophobicContact CZ-CB 4.27Å; F104-F108 AromaticContact CZ-CD1 3.97Å; F104-F108 HydrophobicContact CZ-CD1 3.97Å; F104-F108 AromaticContact CZ-CD2 3.78Å; F104-F108 HydrophobicContact CZ-CD2 3.78Å; F104-F108 HydrophobicContact CZ-CE1 4.23Å; F104-F108 HydrophobicContact CZ-CE2 4.06Å; F104-F108 AromaticContact CZ-CG 3.73Å; F104-F108 HydrophobicContact CZ-CG 3.73Å; F104-F108 HydrophobicContact CZ-CZ 4.26Å; F104-F108 WeakPolarHBondContact O-CD2 3.13Å; F104-F108 PolarHBondContact O-N 2.91Å; F104-L128 HydrophobicContact CE1-CD2 4.28Å; F104-M131 HydrophobicContact CE1-CB 4.42Å; F104-M131 HydrophobicContact CZ-CB 4.28Å; F104-M131 HydrophobicContact CZ-CG 3.92Å; F104-M131 HydrophobicContact CZ-SD 3.97Å; F104-W132 HydrophobicContact CB-CE3 3.64Å; F104-W132 HydrophobicContact CB-CZ3 3.56Å; F104-W132 HydrophobicContact CD1-CB 4.3Å; F104-W132 AromaticContact CD1-CE3 3.73Å; F104-W132 HydrophobicContact CD1-CE3 3.73Å; F104-W132 HydrophobicContact CD1-CZ3 4.5Å; F104-W132 AromaticContact CD2-CE3 3.89Å; F104-W132 HydrophobicContact CD2-CE3 3.89Å; F104-W132 HydrophobicContact CD2-CZ3 4.07Å; F104-W132 HydrophobicContact CE1-CB 4.2Å; F104-W132 HydrophobicContact CE1-CE3 4.35Å; F104-W132 HydrophobicContact CE2-CE3 4.48Å; F104-W132 AromaticContact CG-CE3 3.47Å; F104-W132 HydrophobicContact CG-CE3 3.47Å; F104-W132 VanDerWaalsContact CG-CE3 3.47Å; F104-W132 AromaticContact CG-CZ3 3.81Å; F104-W132 HydrophobicContact CG-CZ3 3.81Å; F104-Y143 HydrophobicContact CB-CD1 4.2Å; F104-Y143 HydrophobicContact CB-CE1 4.38Å; F104-Y143 HydrophobicContact CB-CG 4.38Å; F104-Y143 HydrophobicContact CD2-CE1 4.42Å; F104-Y143 HydrophobicContact CD2-CE2 4.04Å; F104-Y143 AromaticContact CD2-CZ 4Å
105C90.6Very high89.1Confident16 Ų1679 Ų7911%0.10840%0.397CS..Hα-helixtrans-57.5-37.6177.5-75.50000112.2F101 F102 I103 E107 R109 L128F101-C105 VanDerWaalsContact CE1-SG 3.56Å; F101-C105 WeakPolarHBondContact CE2-SG 3.22Å; F101-C105 WeakPolarHBondContact CZ-SG 3.34Å; F101-C105 WeakPolarHBondContact O-CB 3.24Å; F101-C105 PolarHBondContact O-N 3.29Å; F101-C105 PolarHBondContact O-SG 3.12Å; F102-C105 PolarHBondContact O-N 3.43Å; I103-C105 PolarHBondContact O-N 3.18Å; C105-E107 VanDerWaalsContact C-N 3.29Å; C105-E107 PolarHBondContact O-N 3.26Å; C105-R109 WeakPolarHBondContact O-CA 3.13Å; C105-R109 WeakPolarHBondContact O-CB 3.43Å; C105-R109 PolarHBondContact O-N 3.4Å; C105-L128 HydrophobicContact CB-CD1 4.12Å
106S89.4Confident88.9Confident79 Ų7973.9 Ų73.955%0.55238%0.375SS*.Hα-helixtrans-64-35.6179.176.80000112.7F102 I103 F104 P110F102-S106 WeakPolarHBondContact O-CB 3.36Å; F102-S106 PolarHBondContact O-N 3.28Å; I103-S106 WeakPolarHBondContact O-CB 3.44Å; I103-S106 PolarHBondContact O-N 3.36Å; I103-S106 VanDerWaalsContact O-N 3.13Å; I103-S106 PolarHBondContact O-OG 3Å; F104-S106 PolarHBondContact O-N 2.66Å; S106-P110 WeakPolarHBondContact O-CD 3.45Å
107E89Confident88.6Confident73 Ų7368.8 Ų68.834%0.34137%0.37SS..Hα-helixtrans-81.5-35.1179.8-64.2-175.7-16500112.2I103 F104 C105 P110 K146I103-E107 PolarHBondContact O-N 3.18Å; F104-E107 PolarHBondContact O-N 3.39Å; F104-E107 VanDerWaalsContact O-N 3.07Å; C105-E107 VanDerWaalsContact C-N 3.29Å; C105-E107 PolarHBondContact O-N 3.26Å; E107-P110 WeakPolarHBondContact O-CG 3.42Å; E107-K146 IonicContact OE1-NZ 2.99Å; E107-K146 PolarHBondContact OE1-NZ 3.31Å
108F88.1Confident88.1Confident33 Ų3370.5 Ų70.515%0.14540%0.396CS..Hα-helixtrans-94.8-24.3-174.7-78.7-101.6000114.4F104 K111 V112 L128 M131F104-F108 HydrophobicContact CD1-CD2 4.48Å; F104-F108 AromaticContact CD2-CD2 3.48Å; F104-F108 HydrophobicContact CD2-CD2 3.48Å; F104-F108 VanDerWaalsContact CD2-CD2 3.48Å; F104-F108 AromaticContact CD2-CE2 3.49Å; F104-F108 HydrophobicContact CD2-CE2 3.49Å; F104-F108 VanDerWaalsContact CD2-CE2 3.49Å; F104-F108 HydrophobicContact CD2-CG 4.27Å; F104-F108 HydrophobicContact CD2-CZ 4.27Å; F104-F108 HydrophobicContact CE1-CB 4.31Å; F104-F108 HydrophobicContact CE1-CD2 4.35Å; F104-F108 HydrophobicContact CE1-CG 4.24Å; F104-F108 HydrophobicContact CE2-CD1 4.09Å; F104-F108 AromaticContact CE2-CD2 3.32Å; F104-F108 HydrophobicContact CE2-CD2 3.32Å; F104-F108 HydrophobicContact CE2-CE1 4Å; F104-F108 AromaticContact CE2-CE2 3.23Å; F104-F108 HydrophobicContact CE2-CE2 3.23Å; F104-F108 AromaticContact CE2-CG 3.76Å; F104-F108 HydrophobicContact CE2-CG 3.76Å; F104-F108 AromaticContact CE2-CZ 3.58Å; F104-F108 HydrophobicContact CE2-CZ 3.58Å; F104-F108 HydrophobicContact CG-CD2 4.07Å; F104-F108 HydrophobicContact CG-CE2 4.48Å; F104-F108 HydrophobicContact CZ-CB 4.27Å; F104-F108 AromaticContact CZ-CD1 3.97Å; F104-F108 HydrophobicContact CZ-CD1 3.97Å; F104-F108 AromaticContact CZ-CD2 3.78Å; F104-F108 HydrophobicContact CZ-CD2 3.78Å; F104-F108 HydrophobicContact CZ-CE1 4.23Å; F104-F108 HydrophobicContact CZ-CE2 4.06Å; F104-F108 AromaticContact CZ-CG 3.73Å; F104-F108 HydrophobicContact CZ-CG 3.73Å; F104-F108 HydrophobicContact CZ-CZ 4.26Å; F104-F108 WeakPolarHBondContact O-CD2 3.13Å; F104-F108 PolarHBondContact O-N 2.91Å; F108-K111 HydrophobicContact CD1-CD 4.08Å; F108-K111 HydrophobicContact CE1-CD 4.37Å; F108-K111 HydrophobicContact CG-CD 4.47Å; F108-K111 WeakPolarHBondContact O-CA 3.28Å; F108-K111 WeakPolarHBondContact O-CB 3.4Å; F108-K111 PolarHBondContact O-N 3.36Å; F108-V112 WeakPolarHBondContact O-CG2 3.27Å; F108-V112 PolarHBondContact O-N 3.5Å; F108-L128 HydrophobicContact CB-CD2 3.37Å; F108-M131 HydrophobicContact CD1-CE 3.81Å; F108-M131 HydrophobicContact CD1-SD 3.77Å; F108-M131 HydrophobicContact CE1-CE 3.58Å; F108-M131 HydrophobicContact CE1-SD 4.14Å
109R89.2Confident87.7Confident116 Ų11670.1 Ų70.144%0.43839%0.39SS..Hα-helixtrans-53.1-44.4174.6-176.1173-172.9-123.42.3114.2C105 K111 K113 I121 V124 L128C105-R109 WeakPolarHBondContact O-CA 3.13Å; C105-R109 WeakPolarHBondContact O-CB 3.43Å; C105-R109 PolarHBondContact O-N 3.4Å; R109-K111 VanDerWaalsContact C-N 3.31Å; R109-K111 PolarHBondContact O-N 2.8Å; R109-K113 VanDerWaalsContact O-CB 3.26Å; R109-K113 WeakPolarHBondContact O-CB 3.39Å; R109-K113 PolarHBondContact O-N 2.92Å; R109-I121 VanDerWaalsContact NH2-CG2 3.31Å; R109-V124 HydrophobicContact CG-CG1 3.98Å; R109-L128 HydrophobicContact CB-CD1 3.87Å; R109-L128 HydrophobicContact CG-CD1 4.42Å
110P89.8Confident87.5Confident81 Ų8170.1 Ų70.153%0.52639%0.39SS..Hα-helixtrans-66.3-32.3175.225.4-33.9000112.8S106 E107 G114S106-P110 WeakPolarHBondContact O-CD 3.45Å; E107-P110 WeakPolarHBondContact O-CG 3.42Å; P110-G114 PolarHBondContact O-N 3.43Å
111K88.6Confident87.2Confident107 Ų10775.2 Ų75.247%0.46542%0.415SS..Hα-helixtrans-66.2-52.5177.2-58.2179-174169.80111.1F108 R109 K113 G114 E115F108-K111 HydrophobicContact CD1-CD 4.08Å; F108-K111 HydrophobicContact CE1-CD 4.37Å; F108-K111 HydrophobicContact CG-CD 4.47Å; F108-K111 WeakPolarHBondContact O-CA 3.28Å; F108-K111 WeakPolarHBondContact O-CB 3.4Å; F108-K111 PolarHBondContact O-N 3.36Å; R109-K111 VanDerWaalsContact C-N 3.31Å; R109-K111 PolarHBondContact O-N 2.8Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3Å; K111-G114 WeakPolarHBondContact O-CA 3.39Å; K111-G114 PolarHBondContact O-N 2.84Å; K111-E115 PolarHBondContact O-N 2.88Å
112V87.1Confident87Confident15 Ų1574.4 Ų74.49%0.09142%0.423CS..Hα-helixtrans-61-39178.1178.10000111.4F108 G114 E115 Q116 L119 V124 R127 L128F108-V112 WeakPolarHBondContact O-CG2 3.27Å; F108-V112 PolarHBondContact O-N 3.5Å; V112-G114 VanDerWaalsContact C-N 3.32Å; V112-E115 PolarHBondContact O-N 3.07Å; V112-Q116 PolarHBondContact O-N 3.45Å; V112-L119 HydrophobicContact CG1-CD1 4.33Å; V112-V124 HydrophobicContact CB-CG1 4.12Å; V112-V124 HydrophobicContact CG1-CB 4.47Å; V112-V124 HydrophobicContact CG1-CG1 3.93Å; V112-V124 HydrophobicContact CG1-CG2 4.31Å; V112-R127 HydrophobicContact CG1-CB 4.37Å; V112-L128 HydrophobicContact CG2-CD2 3.85Å; V112-L128 HydrophobicContact CG2-CG 4.42Å
113K86.9Confident86.9Confident141 Ų14171.2 Ų71.261%0.61341%0.412SS*.Hα-helixtrans-67.6-32.9175.7-171.8179.4178.4-172.50112.6R109 K111 Q116 P117R109-K113 VanDerWaalsContact O-CB 3.26Å; R109-K113 WeakPolarHBondContact O-CB 3.39Å; R109-K113 PolarHBondContact O-N 2.92Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3Å; K113-Q116 CarbonylContact O-C 3.34Å; K113-P117 WeakPolarHBondContact O-CA 3.36Å
114G85.5Confident86.7Confident57 Ų5770.7 Ų70.759%0.58841%0.409SS*.Hα-helixtrans-72.8-38.4176.200000112.9P110 K111 V112P110-G114 PolarHBondContact O-N 3.43Å; K111-G114 WeakPolarHBondContact O-CA 3.39Å; K111-G114 PolarHBondContact O-N 2.84Å; V112-G114 VanDerWaalsContact C-N 3.32Å
115E86.2Confident86.5Confident151 Ų15173 Ų7371%0.70643%0.43SS*.Hα-helixtrans-69.3-37.7175.5-71.9174.3-175.100112.3K111 V112 P117K111-E115 PolarHBondContact O-N 2.88Å; V112-E115 PolarHBondContact O-N 3.07Å; E115-P117 WeakPolarHBondContact O-CD 3.27Å
116Q79.6Confident86.6Confident81 Ų8179 Ų7938%0.37945%0.453SS..SBendtrans-127.676.7179.3-61.8-172.33000110.9V112 K113 G118 L119V112-Q116 PolarHBondContact O-N 3.45Å; K113-Q116 CarbonylContact O-C 3.34Å; Q116-G118 PolarHBondContact O-N 3.17Å; Q116-L119 HydrophobicContact CB-CD1 3.63Å; Q116-L119 HydrophobicContact CB-CG 3.77Å; Q116-L119 HydrophobicContact CG-CD1 4.31Å; Q116-L119 PolarHBondContact O-N 3.3Å
117P80Confident86.5Confident110 Ų11081.5 Ų81.571%0.71445%0.451SS*.THydrogen-bonded Turntrans-69.194.917628.8-32.8000109.1K113 E115K113-P117 WeakPolarHBondContact O-CA 3.36Å; E115-P117 WeakPolarHBondContact O-CD 3.27Å
118G80.8Confident86.6Confident78 Ų7878.1 Ų78.180%0.80444%0.435SS*.THydrogen-bonded Turntrans151.2-17.2-178.700000114.4Q116Q116-G118 PolarHBondContact O-N 3.17Å
119L80.9Confident86.8Confident53 Ų5377.4 Ų77.428%0.27744%0.437SS..  trans-63.3140.9174.4-71.6177.7000111.7V112 Q116 D123 V124V112-L119 HydrophobicContact CG1-CD1 4.33Å; Q116-L119 HydrophobicContact CB-CD1 3.63Å; Q116-L119 HydrophobicContact CB-CG 3.77Å; Q116-L119 HydrophobicContact CG-CD1 4.31Å; Q116-L119 PolarHBondContact O-N 3.3Å; L119-D123 HydrophobicContact CB-CB 4.4Å; L119-D123 HydrophobicContact CD2-CB 4.07Å; L119-V124 HydrophobicContact CB-CG2 3.66Å; L119-V124 HydrophobicContact CD1-CG2 4.13Å
120S87.7Confident86.9Confident60 Ų6077.2 Ų77.242%0.4244%0.441SS..  trans-65.5155.717184.20000110.1G122 D123 V124S120-G122 PolarHBondContact O-N 2.94Å; S120-G122 VanDerWaalsContact O-N 3.14Å; S120-G122 PolarHBondContact OG-N 3.41Å; S120-D123 WeakPolarHBondContact CB-OD2 3.3Å; S120-D123 PolarHBondContact O-N 3Å; S120-D123 PolarHBondContact OG-N 3.48Å; S120-D123 VanDerWaalsContact OG-N 3.15Å; S120-D123 PolarHBondContact OG-OD2 3.24Å; S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.44Å
121I85.7Confident86.9Confident118 Ų11877.4 Ų77.461%0.60544%0.436SS*.Hα-helixtrans-56.2-33.8176.4-62.8171.8000111.1R109 A125R109-I121 VanDerWaalsContact NH2-CG2 3.31Å; I121-A125 WeakPolarHBondContact O-CB 3.49Å; I121-A125 PolarHBondContact O-N 3.31Å; I121-A125 VanDerWaalsContact O-N 3.08Å
122G87.3Confident87Confident42 Ų4273.8 Ų73.843%0.43342%0.419SS..Hα-helixtrans-68-41.417700000112.7S120 A125 K126S120-G122 PolarHBondContact O-N 2.94Å; S120-G122 VanDerWaalsContact O-N 3.14Å; S120-G122 PolarHBondContact OG-N 3.41Å; G122-A125 PolarHBondContact O-N 3.41Å; G122-K126 WeakPolarHBondContact O-CG 3.22Å; G122-K126 PolarHBondContact O-N 2.98Å
123D87.6Confident87.2Confident64 Ų6479.1 Ų79.134%0.34245%0.447SS..Hα-helixtrans-71-37.2179.5-57.6-46.4000111.6L119 S120 A125 K126 R127L119-D123 HydrophobicContact CB-CB 4.4Å; L119-D123 HydrophobicContact CD2-CB 4.07Å; S120-D123 WeakPolarHBondContact CB-OD2 3.3Å; S120-D123 PolarHBondContact O-N 3Å; S120-D123 PolarHBondContact OG-N 3.48Å; S120-D123 VanDerWaalsContact OG-N 3.15Å; S120-D123 PolarHBondContact OG-OD2 3.24Å; D123-A125 VanDerWaalsContact C-N 3.3Å; D123-A125 PolarHBondContact O-N 2.87Å; D123-K126 PolarHBondContact O-N 3.36Å; D123-R127 WeakPolarHBondContact O-CG 3.11Å; D123-R127 PolarHBondContact O-N 3.36Å
124V88.6Confident87.4Confident6 Ų677.5 Ų77.54%0.03645%0.454CS..Hα-helixtrans-60.6-42.1171176.90000110.8R109 V112 L119 S120 K126 R127 L128R109-V124 HydrophobicContact CG-CG1 3.98Å; V112-V124 HydrophobicContact CB-CG1 4.12Å; V112-V124 HydrophobicContact CG1-CB 4.47Å; V112-V124 HydrophobicContact CG1-CG1 3.93Å; V112-V124 HydrophobicContact CG1-CG2 4.31Å; L119-V124 HydrophobicContact CB-CG2 3.66Å; L119-V124 HydrophobicContact CD1-CG2 4.13Å; S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.44Å; V124-K126 PolarHBondContact O-N 3.06Å; V124-R127 PolarHBondContact O-N 3.19Å; V124-L128 HydrophobicContact CG1-CD1 3.94Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 VanDerWaalsContact O-CG 3.25Å; V124-L128 WeakPolarHBondContact O-CG 3.25Å; V124-L128 PolarHBondContact O-N 2.79Å
125A88.8Confident87.4Confident53 Ų5376 Ų7644%0.43843%0.433SS..Hα-helixtrans-64.5-39.217800000112.6I121 G122 D123 L128 G129I121-A125 WeakPolarHBondContact O-CB 3.49Å; I121-A125 PolarHBondContact O-N 3.31Å; I121-A125 VanDerWaalsContact O-N 3.08Å; G122-A125 PolarHBondContact O-N 3.41Å; D123-A125 VanDerWaalsContact C-N 3.3Å; D123-A125 PolarHBondContact O-N 2.87Å; A125-L128 PolarHBondContact O-N 3.33Å; A125-G129 PolarHBondContact O-N 3.28Å
126K90.9Very high87.7Confident140 Ų14070.6 Ų70.661%0.60941%0.412SS*.Hα-helixtrans-61.5-48.6174.5-71.7175.5-177.1170.70111.7G122 D123 V124 L128 G129 E130G122-K126 WeakPolarHBondContact O-CG 3.22Å; G122-K126 PolarHBondContact O-N 2.98Å; D123-K126 PolarHBondContact O-N 3.36Å; V124-K126 PolarHBondContact O-N 3.06Å; K126-L128 VanDerWaalsContact C-N 3.3Å; K126-L128 PolarHBondContact O-N 3.4Å; K126-G129 PolarHBondContact O-N 3.43Å; K126-G129 VanDerWaalsContact O-N 3.09Å; K126-E130 PolarHBondContact O-N 3.02Å
127R88.5Confident88.1Confident132 Ų13271.7 Ų71.750%0.49843%0.426SS..Hα-helixtrans-57.8-41.7176.6-72-68.7-163.7164.53.4112.4V112 D123 V124 G129 E130 M131V112-R127 HydrophobicContact CG1-CB 4.37Å; D123-R127 WeakPolarHBondContact O-CG 3.11Å; D123-R127 PolarHBondContact O-N 3.36Å; V124-R127 PolarHBondContact O-N 3.19Å; R127-G129 VanDerWaalsContact C-N 3.35Å; R127-E130 PolarHBondContact O-N 3.37Å; R127-M131 WeakPolarHBondContact O-CB 3.46Å; R127-M131 PolarHBondContact O-N 2.96Å
128L91.2Very high88.5Confident3 Ų373.9 Ų73.92%0.01643%0.427CS..Hα-helixtrans-66.6-36.3176.6-70168.9000112.4F104 C105 F108 R109 V112 V124 A125 K126 M131 W132F104-L128 HydrophobicContact CE1-CD2 4.28Å; C105-L128 HydrophobicContact CB-CD1 4.12Å; F108-L128 HydrophobicContact CB-CD2 3.37Å; R109-L128 HydrophobicContact CB-CD1 3.87Å; R109-L128 HydrophobicContact CG-CD1 4.42Å; V112-L128 HydrophobicContact CG2-CD2 3.85Å; V112-L128 HydrophobicContact CG2-CG 4.42Å; V124-L128 HydrophobicContact CG1-CD1 3.94Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 VanDerWaalsContact O-CG 3.25Å; V124-L128 WeakPolarHBondContact O-CG 3.25Å; V124-L128 PolarHBondContact O-N 2.79Å; A125-L128 PolarHBondContact O-N 3.33Å; K126-L128 VanDerWaalsContact C-N 3.3Å; K126-L128 PolarHBondContact O-N 3.4Å; L128-M131 PolarHBondContact O-N 3.47Å; L128-W132 WeakPolarHBondContact O-CB 3.38Å; L128-W132 PolarHBondContact O-N 3.03Å
129G91.8Very high88.9Confident17 Ų1774.8 Ų74.818%0.17541%0.413CS..Hα-helixtrans-62.7-46.7173.600000112.4A125 K126 R127 W132 N133A125-G129 PolarHBondContact O-N 3.28Å; K126-G129 PolarHBondContact O-N 3.43Å; K126-G129 VanDerWaalsContact O-N 3.09Å; R127-G129 VanDerWaalsContact C-N 3.35Å; G129-W132 PolarHBondContact O-N 3.39Å; G129-N133 PolarHBondContact O-N 2.96Å
130E91.5Very high89.3Confident112 Ų11274 Ų7452%0.52341%0.407SS..Hα-helixtrans-59-48.7173.9-69.4167.6-174.500111K126 R127 W132 N133 S134K126-E130 PolarHBondContact O-N 3.02Å; R127-E130 PolarHBondContact O-N 3.37Å; E130-W132 VanDerWaalsContact C-N 3.33Å; E130-W132 PolarHBondContact O-N 2.96Å; E130-N133 PolarHBondContact O-N 2.92Å; E130-S134 PolarHBondContact O-N 3.21Å; E130-S134 PolarHBondContact O-OG 3.46Å
131M89.3Confident89.6Confident85 Ų8575.7 Ų75.742%0.41941%0.409SS..Hα-helixtrans-61-41.4179.5-165.7175.9-171.600112F104 F108 R127 L128 S134 T135F104-M131 HydrophobicContact CE1-CB 4.42Å; F104-M131 HydrophobicContact CZ-CB 4.28Å; F104-M131 HydrophobicContact CZ-CG 3.92Å; F104-M131 HydrophobicContact CZ-SD 3.97Å; F108-M131 HydrophobicContact CD1-CE 3.81Å; F108-M131 HydrophobicContact CD1-SD 3.77Å; F108-M131 HydrophobicContact CE1-CE 3.58Å; F108-M131 HydrophobicContact CE1-SD 4.14Å; R127-M131 WeakPolarHBondContact O-CB 3.46Å; R127-M131 PolarHBondContact O-N 2.96Å; L128-M131 PolarHBondContact O-N 3.47Å; M131-S134 PolarHBondContact O-N 3.03Å; M131-T135 WeakPolarHBondContact O-CB 3.32Å; M131-T135 PolarHBondContact O-N 2.91Å; M131-T135 PolarHBondContact O-OG1 2.79Å
132W91.6Very high89.9Confident32 Ų3272.9 Ų72.912%0.12140%0.398CS..Hα-helixtrans-62.2-45.6175179.2-101.6000111.7A100 F101 F104 L128 G129 E130 S134 T135 K140 Y143A100-W132 HydrophobicContact CB-CH2 3.86Å; A100-W132 HydrophobicContact CB-CZ2 4.08Å; F101-W132 HydrophobicContact CB-CD2 4.42Å; F101-W132 HydrophobicContact CD2-CB 3.62Å; F101-W132 AromaticContact CD2-CD1 3.75Å; F101-W132 AromaticContact CD2-CD2 3.81Å; F101-W132 HydrophobicContact CD2-CD2 3.81Å; F101-W132 HydrophobicContact CD2-CE3 4.43Å; F101-W132 AromaticContact CD2-CG 3.42Å; F101-W132 HydrophobicContact CD2-CG 3.42Å; F101-W132 VanDerWaalsContact CD2-CG 3.42Å; F101-W132 HydrophobicContact CE2-CB 3.64Å; F101-W132 AromaticContact CE2-CG 3.97Å; F101-W132 HydrophobicContact CE2-CG 3.97Å; F101-W132 HydrophobicContact CG-CG 4.47Å; F104-W132 HydrophobicContact CB-CE3 3.64Å; F104-W132 HydrophobicContact CB-CZ3 3.56Å; F104-W132 HydrophobicContact CD1-CB 4.3Å; F104-W132 AromaticContact CD1-CE3 3.73Å; F104-W132 HydrophobicContact CD1-CE3 3.73Å; F104-W132 HydrophobicContact CD1-CZ3 4.5Å; F104-W132 AromaticContact CD2-CE3 3.89Å; F104-W132 HydrophobicContact CD2-CE3 3.89Å; F104-W132 HydrophobicContact CD2-CZ3 4.07Å; F104-W132 HydrophobicContact CE1-CB 4.2Å; F104-W132 HydrophobicContact CE1-CE3 4.35Å; F104-W132 HydrophobicContact CE2-CE3 4.48Å; F104-W132 AromaticContact CG-CE3 3.47Å; F104-W132 HydrophobicContact CG-CE3 3.47Å; F104-W132 VanDerWaalsContact CG-CE3 3.47Å; F104-W132 AromaticContact CG-CZ3 3.81Å; F104-W132 HydrophobicContact CG-CZ3 3.81Å; L128-W132 WeakPolarHBondContact O-CB 3.38Å; L128-W132 PolarHBondContact O-N 3.03Å; G129-W132 PolarHBondContact O-N 3.39Å; E130-W132 VanDerWaalsContact C-N 3.33Å; E130-W132 PolarHBondContact O-N 2.96Å; W132-S134 VanDerWaalsContact C-N 3.29Å; W132-S134 PolarHBondContact O-N 3.48Å; W132-T135 WeakPolarHBondContact O-CB 3.43Å; W132-T135 PolarHBondContact O-N 3.32Å; W132-T135 VanDerWaalsContact O-N 3.11Å; W132-K140 HydrophobicContact CD2-CG 4.43Å; W132-K140 HydrophobicContact CE3-CG 4.25Å; W132-K140 HydrophobicContact CH2-CB 3.88Å; W132-K140 HydrophobicContact CH2-CD 4.38Å; W132-K140 HydrophobicContact CH2-CG 3.65Å; W132-K140 HydrophobicContact CZ2-CB 4.24Å; W132-K140 HydrophobicContact CZ2-CD 4.04Å; W132-K140 HydrophobicContact CZ2-CG 3.83Å; W132-K140 HydrophobicContact CZ3-CB 4.41Å; W132-K140 HydrophobicContact CZ3-CG 3.87Å; W132-K140 WeakPolarHBondContact O-CE 3.37Å; W132-K140 PolarHBondContact O-NZ 2.9Å; W132-Y143 HydrophobicContact CZ3-CD2 4.04Å; W132-Y143 HydrophobicContact CZ3-CG 4.26Å
133N90.6Very high90.2Very high127 Ų12772.3 Ų72.368%0.67938%0.383SS*.Hα-helixtrans-63.6-36.7178.8-70.6-17.3000112.1G129 E130 T135G129-N133 PolarHBondContact O-N 2.96Å; E130-N133 PolarHBondContact O-N 2.92Å; N133-T135 VanDerWaalsContact C-N 3.33Å
134S90.4Very high90.3Very high107 Ų10773.5 Ų73.575%0.74839%0.387SS*.Hα-helixtrans-79-9.9175.3-58.90000114.7E130 M131 W132E130-S134 PolarHBondContact O-N 3.21Å; E130-S134 PolarHBondContact O-OG 3.46Å; M131-S134 PolarHBondContact O-N 3.03Å; W132-S134 VanDerWaalsContact C-N 3.29Å; W132-S134 PolarHBondContact O-N 3.48Å
135T87.5Confident90.6Very high24 Ų2478.4 Ų78.415%0.14741%0.408CS..SBendtrans-75.6138177.8-60.40000109.9M131 W132 N133 D139 K140M131-T135 WeakPolarHBondContact O-CB 3.32Å; M131-T135 PolarHBondContact O-N 2.91Å; M131-T135 PolarHBondContact O-OG1 2.79Å; W132-T135 WeakPolarHBondContact O-CB 3.43Å; W132-T135 PolarHBondContact O-N 3.32Å; W132-T135 VanDerWaalsContact O-N 3.11Å; N133-T135 VanDerWaalsContact C-N 3.33Å; T135-D139 HydrophobicContact CG2-CB 3.38Å; T135-K140 HydrophobicContact CG2-CG 4.09Å; T135-K140 WeakPolarHBondContact O-CE 3.4Å; T135-K140 PolarHBondContact O-NZ 3.32Å
136S90.7Very high90.7Very high39 Ų3980.2 Ų80.227%0.27341%0.406SS..  trans-62.2153.517975.60000111.7E138 D139 K140S136-E138 PolarHBondContact O-N 2.59Å; S136-D139 PolarHBondContact O-N 3.36Å; S136-D139 WeakPolarHBondContact OG-CB 3.47Å; S136-D139 PolarHBondContact OG-N 2.88Å; S136-D139 VanDerWaalsContact OG-N 3.14Å; S136-D139 PolarHBondContact OG-OD2 2.92Å; S136-K140 WeakPolarHBondContact O-CG 3.42Å; S136-K140 PolarHBondContact O-N 3.47Å
137P88.3Confident90.7Very high103 Ų10374.1 Ų74.167%0.66938%0.381SS*.Hα-helixtrans-60.1-32.3174.724-32.8000112.2D139 K140 Q141P137-D139 PolarHBondContact O-N 3.42Å; P137-K140 PolarHBondContact O-N 3.03Å; P137-Q141 WeakPolarHBondContact O-CB 3.48Å; P137-Q141 PolarHBondContact O-N 3.42Å
138E89.8Confident90.9Very high157 Ų15772 Ų7273%0.73438%0.38SS*.Hα-helixtrans-63.5-42.2177.5-58.5-176.7155.800112.1S136 Q141 P142S136-E138 PolarHBondContact O-N 2.59Å; E138-Q141 WeakPolarHBondContact O-CB 3.45Å; E138-Q141 PolarHBondContact O-N 3.18Å; E138-P142 WeakPolarHBondContact O-CD 3.39Å
139D88Confident90.9Very high97 Ų9779.3 Ų79.352%0.51941%0.411SS..Hα-helixtrans-75.2-25.9177.1-68.5-47.5000112.5T135 S136 P137 P142 Y143T135-D139 HydrophobicContact CG2-CB 3.38Å; S136-D139 PolarHBondContact O-N 3.36Å; S136-D139 WeakPolarHBondContact OG-CB 3.47Å; S136-D139 PolarHBondContact OG-N 2.88Å; S136-D139 VanDerWaalsContact OG-N 3.14Å; S136-D139 PolarHBondContact OG-OD2 2.92Å; P137-D139 PolarHBondContact O-N 3.42Å; D139-P142 VanDerWaalsContact O-CD 3.3Å; D139-P142 WeakPolarHBondContact O-CD 3.44Å; D139-P142 VanDerWaalsContact O-CG 3.26Å; D139-P142 WeakPolarHBondContact O-CG 3.17Å; D139-Y143 WeakPolarHBondContact O-CD2 3.42Å; D139-Y143 WeakPolarHBondContact O-CE2 2.81Å
140K90.5Very high90.9Very high35 Ų3581.9 Ų81.915%0.15242%0.421CS..Hα-helixtrans-74.3-35.1172.9-71.7171.1175.2154.10112.3W132 T135 S136 P137 P142 Y143 E144W132-K140 HydrophobicContact CD2-CG 4.43Å; W132-K140 HydrophobicContact CE3-CG 4.25Å; W132-K140 HydrophobicContact CH2-CB 3.88Å; W132-K140 HydrophobicContact CH2-CD 4.38Å; W132-K140 HydrophobicContact CH2-CG 3.65Å; W132-K140 HydrophobicContact CZ2-CB 4.24Å; W132-K140 HydrophobicContact CZ2-CD 4.04Å; W132-K140 HydrophobicContact CZ2-CG 3.83Å; W132-K140 HydrophobicContact CZ3-CB 4.41Å; W132-K140 HydrophobicContact CZ3-CG 3.87Å; W132-K140 WeakPolarHBondContact O-CE 3.37Å; W132-K140 PolarHBondContact O-NZ 2.9Å; T135-K140 HydrophobicContact CG2-CG 4.09Å; T135-K140 WeakPolarHBondContact O-CE 3.4Å; T135-K140 PolarHBondContact O-NZ 3.32Å; S136-K140 WeakPolarHBondContact O-CG 3.42Å; S136-K140 PolarHBondContact O-N 3.47Å; P137-K140 PolarHBondContact O-N 3.03Å; K140-P142 VanDerWaalsContact C-CD 3.49Å; K140-Y143 WeakPolarHBondContact O-CA 3.27Å; K140-Y143 WeakPolarHBondContact O-CB 3.36Å; K140-Y143 PolarHBondContact O-N 3.33Å; K140-E144 PolarHBondContact O-N 3Å
141Q92.4Very high90.9Very high96 Ų9681.4 Ų81.445%0.44942%0.417SS..Hα-helixtrans-48.9-44.1-177.3-156.5-167.569.500114.8P137 E138 Y143 E144 K145P137-Q141 WeakPolarHBondContact O-CB 3.48Å; P137-Q141 PolarHBondContact O-N 3.42Å; E138-Q141 WeakPolarHBondContact O-CB 3.45Å; E138-Q141 PolarHBondContact O-N 3.18Å; Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 PolarHBondContact O-N 3.28Å; Q141-E144 PolarHBondContact O-N 2.9Å; Q141-K145 HydrophobicContact CG-CD 4.29Å; Q141-K145 WeakPolarHBondContact O-CB 3.44Å; Q141-K145 VanDerWaalsContact O-CG 3.31Å; Q141-K145 WeakPolarHBondContact O-CG 3.45Å; Q141-K145 PolarHBondContact O-N 3.06Å
142P93.1Very high90.9Very high59 Ų5981.4 Ų81.438%0.38342%0.416SS..Hα-helixtrans-64.8-31.9175.524.3-35.4000113.2E138 D139 K140 K146E138-P142 WeakPolarHBondContact O-CD 3.39Å; D139-P142 VanDerWaalsContact O-CD 3.3Å; D139-P142 WeakPolarHBondContact O-CD 3.44Å; D139-P142 VanDerWaalsContact O-CG 3.26Å; D139-P142 WeakPolarHBondContact O-CG 3.17Å; K140-P142 VanDerWaalsContact C-CD 3.49Å; P142-K146 WeakPolarHBondContact O-CB 3.49Å; P142-K146 VanDerWaalsContact O-CG 3.22Å; P142-K146 WeakPolarHBondContact O-CG 3.28Å; P142-K146 PolarHBondContact O-N 3.08Å
143Y92.4Very high90.9Very high31 Ų3185.9 Ų85.912%0.12244%0.436CS..Hα-helixtrans-75.3-37.1176.9-58.7-78.5000111.8I103 F104 W132 D139 K140 Q141 K146 A147I103-Y143 HydrophobicContact CB-CD1 4.48Å; I103-Y143 HydrophobicContact CG2-CD1 3.95Å; F104-Y143 HydrophobicContact CB-CD1 4.2Å; F104-Y143 HydrophobicContact CB-CE1 4.38Å; F104-Y143 HydrophobicContact CB-CG 4.38Å; F104-Y143 HydrophobicContact CD2-CE1 4.42Å; F104-Y143 HydrophobicContact CD2-CE2 4.04Å; F104-Y143 AromaticContact CD2-CZ 4Å; W132-Y143 HydrophobicContact CZ3-CD2 4.04Å; W132-Y143 HydrophobicContact CZ3-CG 4.26Å; D139-Y143 WeakPolarHBondContact O-CD2 3.42Å; D139-Y143 WeakPolarHBondContact O-CE2 2.81Å; K140-Y143 WeakPolarHBondContact O-CA 3.27Å; K140-Y143 WeakPolarHBondContact O-CB 3.36Å; K140-Y143 PolarHBondContact O-N 3.33Å; Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 PolarHBondContact O-N 3.28Å; Y143-K146 PolarHBondContact O-N 3.34Å; Y143-A147 WeakPolarHBondContact O-CB 3.3Å; Y143-A147 PolarHBondContact O-N 2.99Å
144E91.3Very high90.9Very high89 Ų8982.4 Ų82.442%0.41641%0.414SS..Hα-helixtrans-63.5-51.2172.4-70.5175.6-179.200110.8A100 K140 Q141 K146 A147 D148A100-E144 HydrophobicContact CB-CB 4.42Å; A100-E144 HydrophobicContact CB-CG 3.72Å; K140-E144 PolarHBondContact O-N 3Å; Q141-E144 PolarHBondContact O-N 2.9Å; E144-K146 PolarHBondContact O-N 2.97Å; E144-K146 VanDerWaalsContact O-N 3.17Å; E144-A147 CarbonylContact O-C 3.53Å; E144-A147 WeakPolarHBondContact O-CA 3.46Å; E144-A147 WeakPolarHBondContact O-CB 3.28Å; E144-A147 PolarHBondContact O-N 2.92Å; E144-D148 VanDerWaalsContact O-CG 3.32Å; E144-D148 PolarHBondContact O-N 2.85Å
145K93.4Very high90.8Very high108 Ų10881.8 Ų81.847%0.4740%0.398SS..Hα-helixtrans-55.8-37.2173.8-74172.5175.3168.80112.8Q141 K149Q141-K145 HydrophobicContact CG-CD 4.29Å; Q141-K145 WeakPolarHBondContact O-CB 3.44Å; Q141-K145 VanDerWaalsContact O-CG 3.31Å; Q141-K145 WeakPolarHBondContact O-CG 3.45Å; Q141-K145 PolarHBondContact O-N 3.06Å; K145-K149 VanDerWaalsContact O-CG 3.28Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 3.22Å
146K91.1Very high90.9Very high92 Ų9287.7 Ų87.740%0.442%0.421SS..Hα-helixtrans-66.8-44.7173.3-78.6171.7-179.8174.90110.9I103 E107 P142 Y143 E144 K149 L150I103-K146 HydrophobicContact CD1-CB 4Å; I103-K146 HydrophobicContact CG2-CD 4.18Å; E107-K146 IonicContact OE1-NZ 2.99Å; E107-K146 PolarHBondContact OE1-NZ 3.31Å; P142-K146 WeakPolarHBondContact O-CB 3.49Å; P142-K146 VanDerWaalsContact O-CG 3.22Å; P142-K146 WeakPolarHBondContact O-CG 3.28Å; P142-K146 PolarHBondContact O-N 3.08Å; Y143-K146 PolarHBondContact O-N 3.34Å; E144-K146 PolarHBondContact O-N 2.97Å; E144-K146 VanDerWaalsContact O-N 3.17Å; K146-K149 PolarHBondContact O-N 3.47Å; K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 3.31Å
147A91.8Very high90.6Very high11 Ų1189.3 Ų89.39%0.09143%0.427CS..Hα-helixtrans-63.6-42.6178.400000111.8A100 I103 Y143 E144 L150 K151A100-A147 HydrophobicContact CB-CB 4.11Å; I103-A147 HydrophobicContact CD1-CB 3.87Å; Y143-A147 WeakPolarHBondContact O-CB 3.3Å; Y143-A147 PolarHBondContact O-N 2.99Å; E144-A147 CarbonylContact O-C 3.53Å; E144-A147 WeakPolarHBondContact O-CA 3.46Å; E144-A147 WeakPolarHBondContact O-CB 3.28Å; E144-A147 PolarHBondContact O-N 2.92Å; A147-L150 CarbonylContact O-C 3.54Å; A147-L150 WeakPolarHBondContact O-CB 3.49Å; A147-L150 PolarHBondContact O-N 3.05Å; A147-L150 VanDerWaalsContact O-N 3.12Å; A147-K151 WeakPolarHBondContact O-CB 3.39Å; A147-K151 PolarHBondContact O-N 2.99Å
148D91.6Very high90.5Very high87 Ų8785.6 Ų85.647%0.46540%0.401SS..Hα-helixtrans-64.1-43.1178.6-66-30.8000111.6E144 L150 K151 E152E144-D148 VanDerWaalsContact O-CG 3.32Å; E144-D148 PolarHBondContact O-N 2.85Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 3.44Å; D148-K151 CarbonylContact O-C 3.6Å; D148-K151 WeakPolarHBondContact O-CB 3.49Å; D148-K151 PolarHBondContact O-N 3.36Å; D148-K151 VanDerWaalsContact O-N 3.1Å; D148-E152 WeakPolarHBondContact O-CG 3.36Å; D148-E152 PolarHBondContact O-N 3.24Å
149K92.9Very high90.3Very high158 Ų15880.1 Ų80.169%0.68738%0.383SS*.Hα-helixtrans-58.1-39.5173-75.2174.1-177.2178.30112.1K145 K146 K153K145-K149 VanDerWaalsContact O-CG 3.28Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 3.22Å; K146-K149 PolarHBondContact O-N 3.47Å; K149-K153 PolarHBondContact O-N 2.88Å; K149-K153 VanDerWaalsContact O-N 3.08Å
150L90.8Very high90.2Very high71 Ų7178 Ų7837%0.37238%0.378SS..Hα-helixtrans-72.2-35.8176-67.1173.6000112.1P97 P98 I103 K146 A147 D148 K153 Y154P97-L150 HydrophobicContact CB-CB 3.7Å; P98-L150 HydrophobicContact CG-CD1 4.05Å; I103-L150 HydrophobicContact CD1-CD1 4.07Å; K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 3.31Å; A147-L150 CarbonylContact O-C 3.54Å; A147-L150 WeakPolarHBondContact O-CB 3.49Å; A147-L150 PolarHBondContact O-N 3.05Å; A147-L150 VanDerWaalsContact O-N 3.12Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 3.44Å; L150-K153 PolarHBondContact O-N 2.89Å; L150-Y154 WeakPolarHBondContact O-CB 3.34Å; L150-Y154 PolarHBondContact O-N 3.26Å
151K90.6Very high89.8Confident101 Ų10179.1 Ų79.144%0.43938%0.382SS..Hα-helixtrans-60.9-47.9173.1-167.7-178.9179.8-1750110.5A147 D148 K153 Y154 K155A147-K151 WeakPolarHBondContact O-CB 3.39Å; A147-K151 PolarHBondContact O-N 2.99Å; D148-K151 CarbonylContact O-C 3.6Å; D148-K151 WeakPolarHBondContact O-CB 3.49Å; D148-K151 PolarHBondContact O-N 3.36Å; D148-K151 VanDerWaalsContact O-N 3.1Å; K151-K153 PolarHBondContact O-N 3.03Å; K151-Y154 WeakPolarHBondContact O-CB 3.45Å; K151-Y154 PolarHBondContact O-N 3.5Å; K151-K155 WeakPolarHBondContact O-CG 3.28Å; K151-K155 PolarHBondContact O-N 2.96Å
152E91.3Very high89.2Confident85 Ų8582.4 Ų82.440%0.39739%0.391SS..Hα-helixtrans-64.3-40177.5-71.5-53.812000112.5D148 K155 K156D148-E152 WeakPolarHBondContact O-CG 3.36Å; D148-E152 PolarHBondContact O-N 3.24Å; E152-K155 PolarHBondContact O-N 2.96Å; E152-K155 WeakPolarHBondContact OE1-CD 3.48Å; E152-K155 WeakPolarHBondContact OE1-CE 3.38Å; E152-K155 IonicContact OE1-NZ 2.83Å; E152-K155 PolarHBondContact OE1-NZ 3.28Å; E152-K156 WeakPolarHBondContact O-CG 3.36Å; E152-K156 PolarHBondContact O-N 2.9Å; E152-K156 VanDerWaalsContact O-N 3.13Å
153K90.6Very high88.4Confident127 Ų12788.4 Ų88.455%0.55241%0.411SS*.Hα-helixtrans-62.1-46.3172.4-174.4177.7177.2179.80111.3K149 L150 K151 K155 K156 D157K149-K153 PolarHBondContact O-N 2.88Å; K149-K153 VanDerWaalsContact O-N 3.08Å; L150-K153 PolarHBondContact O-N 2.89Å; K151-K153 PolarHBondContact O-N 3.03Å; K153-K155 PolarHBondContact O-N 2.99Å; K153-K156 WeakPolarHBondContact O-CB 3.38Å; K153-K156 PolarHBondContact O-N 3.46Å; K153-K156 VanDerWaalsContact O-N 3.15Å; K153-D157 VanDerWaalsContact O-CG 3.31Å; K153-D157 PolarHBondContact O-N 3.02Å
154Y90.5Very high87.2Confident54 Ų5492 Ų9221%0.21244%0.435CS..Hα-helixtrans-61.7-41.3177.7176.2-100.8000112.5P94 K95 P97 L150 K151 K156 D157 I158P94-Y154 HydrophobicContact CB-CD2 3.9Å; P94-Y154 HydrophobicContact CB-CE2 3.65Å; P94-Y154 WeakPolarHBondContact O-CE2 3.34Å; K95-Y154 VanDerWaalsContact C-CE2 3.4Å; K95-Y154 WeakPolarHBondContact O-CD2 3.46Å; K95-Y154 VanDerWaalsContact O-CE2 3.24Å; K95-Y154 WeakPolarHBondContact O-CE2 3.48Å; P97-Y154 VanDerWaalsContact CD-CG 3.49Å; P97-Y154 HydrophobicContact CG-CG 4.19Å; L150-Y154 WeakPolarHBondContact O-CB 3.34Å; L150-Y154 PolarHBondContact O-N 3.26Å; K151-Y154 WeakPolarHBondContact O-CB 3.45Å; K151-Y154 PolarHBondContact O-N 3.5Å; Y154-K156 VanDerWaalsContact C-N 3.27Å; Y154-K156 PolarHBondContact O-N 3.4Å; Y154-D157 PolarHBondContact O-N 3.35Å; Y154-I158 HydrophobicContact CE1-CB 4.43Å; Y154-I158 HydrophobicContact CE1-CG2 4.43Å; Y154-I158 WeakPolarHBondContact O-CB 3.49Å; Y154-I158 WeakPolarHBondContact O-CG2 3.07Å; Y154-I158 PolarHBondContact O-N 3.1Å
155K88.1Confident85.4Confident94 Ų9489.2 Ų89.241%0.40943%0.43SS..Hα-helixtrans-57.5-40.7174.1-75.6178.3-176.7173.50111.4K151 E152 K153 I158 A159K151-K155 WeakPolarHBondContact O-CG 3.28Å; K151-K155 PolarHBondContact O-N 2.96Å; E152-K155 PolarHBondContact O-N 2.96Å; E152-K155 WeakPolarHBondContact OE1-CD 3.48Å; E152-K155 WeakPolarHBondContact OE1-CE 3.38Å; E152-K155 IonicContact OE1-NZ 2.83Å; E152-K155 PolarHBondContact OE1-NZ 3.28Å; K153-K155 PolarHBondContact O-N 2.99Å; K155-I158 WeakPolarHBondContact O-CG2 2.8Å; K155-A159 WeakPolarHBondContact O-CB 3.35Å; K155-A159 PolarHBondContact O-N 3.03Å
156K89.3Confident83.5Confident147 Ų14789.2 Ų89.264%0.63944%0.444SS*.Hα-helixtrans-68.1-45.7174.7-68.5173.2-175.91750112.1E152 K153 Y154 I158 A159 A160E152-K156 WeakPolarHBondContact O-CG 3.36Å; E152-K156 PolarHBondContact O-N 2.9Å; E152-K156 VanDerWaalsContact O-N 3.13Å; K153-K156 WeakPolarHBondContact O-CB 3.38Å; K153-K156 PolarHBondContact O-N 3.46Å; K153-K156 VanDerWaalsContact O-N 3.15Å; Y154-K156 VanDerWaalsContact C-N 3.27Å; Y154-K156 PolarHBondContact O-N 3.4Å; K156-I158 PolarHBondContact O-N 3.17Å; K156-A159 PolarHBondContact O-N 3.23Å; K156-A160 WeakPolarHBondContact O-CB 3.21Å; K156-A160 PolarHBondContact O-N 3.47Å
157D85.6Confident81.4Confident74 Ų7489.1 Ų89.140%0.39646%0.455SS..Hα-helixtrans-64.3-41.4-179.4-67.8-15.4000111.4P94 K153 Y154 A160 Y161P94-D157 HydrophobicContact CB-CB 4.14Å; P94-D157 HydrophobicContact CG-CB 4.02Å; K153-D157 VanDerWaalsContact O-CG 3.31Å; K153-D157 PolarHBondContact O-N 3.02Å; Y154-D157 PolarHBondContact O-N 3.35Å; D157-A160 PolarHBondContact O-N 3.44Å; D157-Y161 WeakPolarHBondContact O-CB 3.45Å; D157-Y161 PolarHBondContact O-N 2.94Å
158I86.1Confident78.9Confident25 Ų2593.1 Ų93.113%0.12849%0.488CS..Hα-helixtrans-71.7-36176.7-160.767.1000111.4P94 Y154 K155 K156 A160 Y161 R162P94-I158 HydrophobicContact CB-CD1 4.49Å; P94-I158 HydrophobicContact CG-CD1 4.13Å; Y154-I158 HydrophobicContact CE1-CB 4.43Å; Y154-I158 HydrophobicContact CE1-CG2 4.43Å; Y154-I158 WeakPolarHBondContact O-CB 3.49Å; Y154-I158 WeakPolarHBondContact O-CG2 3.07Å; Y154-I158 PolarHBondContact O-N 3.1Å; K155-I158 WeakPolarHBondContact O-CG2 2.8Å; K156-I158 PolarHBondContact O-N 3.17Å; I158-A160 VanDerWaalsContact C-N 3.35Å; I158-Y161 HydrophobicContact CD1-CD1 4.17Å; I158-Y161 PolarHBondContact O-N 2.94Å; I158-R162 WeakPolarHBondContact O-CB 3.36Å; I158-R162 WeakPolarHBondContact O-CG 3.36Å; I158-R162 PolarHBondContact O-N 3.45Å
159A85.8Confident76.6Confident42 Ų4295.1 Ų95.135%0.34751%0.506SS..Hα-helixtrans-64.6-40.5173.200000111.3K155 K156 R162 K163K155-A159 WeakPolarHBondContact O-CB 3.35Å; K155-A159 PolarHBondContact O-N 3.03Å; K156-A159 PolarHBondContact O-N 3.23Å; A159-R162 PolarHBondContact O-N 2.92Å; A159-K163 WeakPolarHBondContact O-CB 3.48Å; A159-K163 VanDerWaalsContact O-CG 3.28Å; A159-K163 WeakPolarHBondContact O-CG 3.34Å; A159-K163 PolarHBondContact O-N 2.9Å
160A84.2Confident74.1Confident51 Ų5192 Ų9242%0.42151%0.51SS..Hα-helixtrans-64.3-45.4172.900000111.4K156 D157 I158 R162 K163 V164K156-A160 WeakPolarHBondContact O-CB 3.21Å; K156-A160 PolarHBondContact O-N 3.47Å; D157-A160 PolarHBondContact O-N 3.44Å; I158-A160 VanDerWaalsContact C-N 3.35Å; A160-R162 VanDerWaalsContact C-N 3.34Å; A160-R162 PolarHBondContact O-N 3.18Å; A160-K163 PolarHBondContact O-N 3.38Å; A160-K163 VanDerWaalsContact O-N 3.16Å; A160-V164 VanDerWaalsContact O-CG2 3.29Å; A160-V164 WeakPolarHBondContact O-CG2 3.47Å; A160-V164 PolarHBondContact O-N 3.29Å
161Y82.8Confident71.3Confident59 Ų5998.9 Ų98.923%0.23154%0.537CS..Hα-helixtrans-58-44.8175.6-175.4-106.9000112.4D90 N92 A93 P94 D157 I158D90-Y161 PolarHBondContact OD2-OH 2.94Å; N92-Y161 HydrophobicContact CB-CE2 4.19Å; N92-Y161 WeakPolarHBondContact O-CE2 3.46Å; A93-Y161 HydrophobicContact CB-CE1 4.19Å; P94-Y161 HydrophobicContact CG-CG 4.45Å; D157-Y161 WeakPolarHBondContact O-CB 3.45Å; D157-Y161 PolarHBondContact O-N 2.94Å; I158-Y161 HydrophobicContact CD1-CD1 4.17Å; I158-Y161 PolarHBondContact O-N 2.94Å
162R80.4Confident69Low166 Ų16698.8 Ų98.863%0.62655%0.554SS**Hα-helixtrans-63.3-39.4175.7-73.7171.9175.9177.8-1.4111.8I158 A159 A160I158-R162 WeakPolarHBondContact O-CB 3.36Å; I158-R162 WeakPolarHBondContact O-CG 3.36Å; I158-R162 PolarHBondContact O-N 3.45Å; A159-R162 PolarHBondContact O-N 2.92Å; A160-R162 VanDerWaalsContact C-N 3.34Å; A160-R162 PolarHBondContact O-N 3.18Å
163K75.4Confident66.8Low185 Ų185100.4 Ų100.480%0.80457%0.572SS**Hα-helixtrans-74.1-35.5-179.5-78.1-178.7-179-169.90114.2A159 A160 G165A159-K163 WeakPolarHBondContact O-CB 3.48Å; A159-K163 VanDerWaalsContact O-CG 3.28Å; A159-K163 WeakPolarHBondContact O-CG 3.34Å; A159-K163 PolarHBondContact O-N 2.9Å; A160-K163 PolarHBondContact O-N 3.38Å; A160-K163 VanDerWaalsContact O-N 3.16Å; K163-G165 PolarHBondContact O-N 3.21Å
164V67.4Low64.3Low106 Ų10698.8 Ų98.864%0.64258%0.582SS**Hα-helixtrans-70.9-11.3178.6174.30000111.4A160 S167A160-V164 VanDerWaalsContact O-CG2 3.29Å; A160-V164 WeakPolarHBondContact O-CG2 3.47Å; A160-V164 PolarHBondContact O-N 3.29Å; V164-S167 PolarHBondContact O-OG 2.95Å
165G54Low61.7Low30 Ų30106.2 Ų106.231%0.30962%0.616SS.*  trans66.8155.3-172.500000110.1K163 S167K163-G165 PolarHBondContact O-N 3.21Å; G165-S167 PolarHBondContact O-N 2.92Å
166S54Low59.4Low108 Ų108106.6 Ų106.676%0.75564%0.637SS**SBendtrans-68.443.4175.4-168.90000112.3
167S46.1Very low56.9Low91 Ų91108.2 Ų108.264%0.63665%0.647SS**  trans-132.482.9-168.6490000112.1V164 G165V164-S167 PolarHBondContact O-OG 2.95Å; G165-S167 PolarHBondContact O-N 2.92Å
168A40.6Very low54.6Low94 Ų94114.2 Ų114.278%0.77767%0.669SS**SBendtrans-124.3138.1140.500000108.3
169P42.1Very low52.2Low129 Ų129118.1 Ų118.184%0.83869%0.69SS**  trans-79160.4-171.835.1-34.7000110.9
170A40.4Very low50Low93 Ų93123.5 Ų123.577%0.76971%0.713SS**  cis-166.8134-7.200000108.8
171K32.5Very low47.8Very low216 Ų216126.7 Ų126.794%0.93972%0.723SS**SBend-161.5111.1124.3-104.1-175.1-176.6-177.80107.8
172A41.9Very low45.4Very low98 Ų98130.7 Ų130.781%0.8175%0.749SS**  trans-65.7173.5-172.500000114
173P45.2Very low43.3Very low119 Ų119128.8 Ų128.877%0.77375%0.751SS**  cis-133.6142.210.135.2-14.7000118.6
174A38.9Very low41.3Very low93 Ų93126.6 Ų126.677%0.76975%0.748SS**  trans43.1113.2135.200000121.5
175K34.9Very low39.7Very low210 Ų210128.6 Ų128.691%0.91375%0.75SS**  -167.2121.8114.7-104176.7-175.8-177.70110.3
176A40.1Very low38.7Very low103 Ų103133.9 Ų133.985%0.85177%0.771SS**  trans-74.3133177.500000110.9
177E37Very low37.9Very low181 Ų181134.9 Ų134.985%0.84677%0.768SS**  trans-136.5132.7161-72.3-163.2132.500109.6
178K36.7Very low37.4Very low199 Ų199137.3 Ų137.387%0.86577%0.774SS**  trans-64.7128.3172.4-75.8176.6170.9-176.10109
179D36.8Very low37.2Very low107 Ų107139.8 Ų139.857%0.57277%0.77SS**  trans-94.898172.8-134-128.4000107.1K87K87-D179 IonicContact NZ-OD2 2.79Å; K87-D179 PolarHBondContact NZ-OD2 3Å
180D38.4Very low36.8Very low156 Ų156142.2 Ų142.283%0.83477%0.77SS**  trans-76.7106.3159.8-111.2-85.9000105.9
181D38.2Very low36.7Very low118 Ų118145.9 Ų145.963%0.63177%0.771SS**  trans-101.998.8171.9-156.3-136.8000105.4D183D181-D183 PolarHBondContact O-N 3.49Å
182D32.3Very low36.8Very low143 Ų143143.6 Ų143.677%0.76576%0.764SS**  trans-67.8103.5175.1-152.810.8000107.1D184D182-D184 VanDerWaalsContact C-N 3.34Å; D182-D184 PolarHBondContact O-N 3.3Å
183D37.3Very low36.5Very low126 Ų126146.7 Ų146.767%0.67477%0.767SS**  trans-83.681.5176.3-158.427000106.8D181 E185D181-D183 PolarHBondContact O-N 3.49Å; D183-E185 VanDerWaalsContact C-N 3.29Å; D183-E185 PolarHBondContact O-N 3.49Å
184D32.6Very low36.3Very low139 Ų139147.2 Ų147.274%0.74376%0.763SS**  trans-84.980.5170.3-142.2-18.8000106.7D182 D186D182-D184 VanDerWaalsContact C-N 3.34Å; D182-D184 PolarHBondContact O-N 3.3Å; D184-D186 VanDerWaalsContact C-N 3.32Å; D184-D186 PolarHBondContact O-N 2.96Å
185E34.6Very low36.5Very low147 Ų147150.2 Ų150.269%0.68777%0.766SS**  trans-71.591.1161.8-77.2-175.7154.700106.9D183 D187D183-E185 VanDerWaalsContact C-N 3.29Å; D183-E185 PolarHBondContact O-N 3.49Å; E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3Å; E185-D187 VanDerWaalsContact O-N 3.12Å
186D31.4Very low36.8Very low141 Ų141146.6 Ų146.675%0.75476%0.757SS**  trans-75.391.5165.9-156.714.1000107D184 D188D184-D186 VanDerWaalsContact C-N 3.32Å; D184-D186 PolarHBondContact O-N 2.96Å; D186-D188 PolarHBondContact O-N 2.88Å
187D37.8Very low37.2Very low129 Ų129150.5 Ų150.569%0.6976%0.758SS**  trans-7688.3168.4-16436.1000106.7E185 E189E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3Å; E185-D187 VanDerWaalsContact O-N 3.12Å; D187-E189 VanDerWaalsContact C-N 3.26Å; D187-E189 PolarHBondContact O-N 3.22Å
188D35.6Very low37.7Very low143 Ų143149.3 Ų149.377%0.76576%0.757SS**  trans-75.285.9173.9-144.5-16.1000106.4D186 E190D186-D188 PolarHBondContact O-N 2.88Å; D188-E190 PolarHBondContact O-N 3.11Å
189E35.6Very low38.2Very low146 Ų146147.1 Ų147.168%0.68276%0.755SS**  trans-56.2112.3170.9-81.3179155.900108.7D187 E191D187-E189 VanDerWaalsContact C-N 3.26Å; D187-E189 PolarHBondContact O-N 3.22Å; E189-E191 PolarHBondContact O-N 2.73Å; E189-E191 VanDerWaalsContact O-N 3.08Å
190E35.4Very low38.7Very low180 Ų180152.7 Ų152.784%0.84179%0.785SS**  trans-65.3101.1167.7-62.7-165.3176.800108.7D188 E192D188-E190 PolarHBondContact O-N 3.11Å; E190-E192 PolarHBondContact O-N 2.82Å
191E36.5Very low38.7Very low170 Ų170152.6 Ų152.679%0.79478%0.782SS**  trans-76.9106.1164.8-73.4-76.8179.400108.3E189 D193E189-E191 PolarHBondContact O-N 2.73Å; E189-E191 VanDerWaalsContact O-N 3.08Å; E191-D193 PolarHBondContact O-N 3.38Å
192E35.3Very low38.8Very low168 Ų168154.4 Ų154.479%0.78579%0.79SS**  trans-67.9103.6165.8-66.7-176.9156.800108.6E190 D194E190-E192 PolarHBondContact O-N 2.82Å; E192-D194 VanDerWaalsContact C-N 3.29Å; E192-D194 PolarHBondContact O-N 3.42Å
193D36.9Very low39.1Very low162 Ų162155 Ų15587%0.86679%0.792SS**  trans-71.488.5164.3-103.3-32.4000108.3E191E191-D193 PolarHBondContact O-N 3.38Å
194D39.9Very low39.2Very low130 Ų130156.7 Ų156.770%0.69580%0.798SS**  trans-95.687.9163.4-149.9-39.2000107E192E192-D194 VanDerWaalsContact C-N 3.29Å; E192-D194 PolarHBondContact O-N 3.42Å
195D43.7Very low39.7Very low157 Ų157157.8 Ų157.884%0.8480%0.802SS**  trans-110.574169.8-118.9-23000107.7
196D41.7Very low40Very low133 Ų133158.5 Ų158.571%0.71181%0.81SS**  trans-91.2114.8159.8-125.5-25.8000107.3
197E47Very low40.6Very low186 Ų186159.8 Ų159.887%0.86981%0.814SS**  trans164.1106.2134.8-89.4-179.6166.400113.3
198D48.3Very low40.8Very low156 Ų156162.2 Ų162.283%0.83482%0.823SS**  trans-4157.7137.4-86.8-50.2000122.3
199D47.6Very low41.3Very low152 Ų152163.8 Ų163.881%0.81383%0.828SS**  trans97.991.1144.4-133.952.4000119.8
200D47.3Very low41.8Very low225 Ų225165.4 Ų165.4100%1.20384%0.841SS**  169.80104.2-166.6-111.7000111.2

Retrieved 200 of 200 residues in 36.4 ms (Link to these results)

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