A0A060Y3V7_ONCMY Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB , UniProt , Accession A0A060Y3V7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520479, Length 303 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
1M33.9Very low54.6Low246 Ų246125.2 Ų125.2100%1.21272%0.721SS**  0109.40-67.3173.2176.600106
2L37.9Very low56.9Low179 Ų179117.5 Ų117.594%0.93768%0.678SS**  trans-94.9129.3175.1-69.6170.3000107.4
3N35.6Very low59.1Low139 Ų139114.3 Ų114.374%0.74366%0.661SS**  trans-93.1119.6-174.5-162.529.3000108.5A5N3-A5 PolarHBondContact O-N 2.85Å; N3-A5 VanDerWaalsContact O-N 3.09Å
4P43.4Very low61.1Low126 Ų126110.1 Ų110.182%0.81864%0.641SS**THydrogen-bonded Turntrans-80.317-17434.4-37.1000113.5
5A44.5Very low62.7Low70 Ų70106.9 Ų106.958%0.57962%0.621SS**THydrogen-bonded Turntrans-86-6.3-167.100000115.1N3N3-A5 PolarHBondContact O-N 2.85Å; N3-A5 VanDerWaalsContact O-N 3.09Å
6N47.3Very low64.2Low155 Ų155103.6 Ų103.683%0.82960%0.596SS**  trans-114.479176.2-71.623.7000109.5D8N6-D8 PolarHBondContact O-N 3.43Å
7G57.1Low65.7Low55 Ų55101.5 Ų101.557%0.56758%0.584SS**  trans-64.8124.4154.700000107.6
8D71.1Confident67Low97 Ų97101.7 Ų101.752%0.51958%0.579SS.*  trans-59.5124.3176.3-169.2-34.9000108N6 V10 H11 V12N6-D8 PolarHBondContact O-N 3.43Å; D8-V10 PolarHBondContact O-N 2.96Å; D8-V10 WeakPolarHBondContact OD1-CB 3.37Å; D8-V10 WeakPolarHBondContact OD1-CG2 3.17Å; D8-V10 PolarHBondContact OD1-N 2.67Å; D8-V10 VanDerWaalsContact OD1-N 3.08Å; D8-H11 HydrophobicContact CB-CB 4.21Å; D8-H11 WeakPolarHBondContact O-CA 3.35Å; D8-H11 VanDerWaalsContact O-CB 3.31Å; D8-H11 WeakPolarHBondContact O-CB 3.41Å; D8-H11 PolarHBondContact O-N 2.86Å; D8-V12 PolarHBondContact O-N 3.2Å
9P70.4Confident68.1Low77 Ų7799.8 Ų99.850%0.557%0.565SS.*Hα-helixtrans-57.4-24.7-178.221.4-33.1000112.6V12 V13P9-V12 PolarHBondContact O-N 2.84Å; P9-V13 WeakPolarHBondContact O-CG2 3.37Å; P9-V13 PolarHBondContact O-N 3.37Å; P9-V13 VanDerWaalsContact O-N 3.17Å
10V77.9Confident69.2Low107 Ų10799.5 Ų99.565%0.64856%0.555SS**Hα-helixtrans-64.8-39.5171.6-177.50000111.5D8 V13 S14D8-V10 PolarHBondContact O-N 2.96Å; D8-V10 WeakPolarHBondContact OD1-CB 3.37Å; D8-V10 WeakPolarHBondContact OD1-CG2 3.17Å; D8-V10 PolarHBondContact OD1-N 2.67Å; D8-V10 VanDerWaalsContact OD1-N 3.08Å; V10-V13 PolarHBondContact O-N 3.15Å; V10-S14 PolarHBondContact O-N 2.88Å
11H81.1Confident70.3Confident126 Ų12698.6 Ų98.658%0.58355%0.549SS*.Hα-helixtrans-71.1-35178.5-167.7-47.4000112.1D8 S14 N15D8-H11 HydrophobicContact CB-CB 4.21Å; D8-H11 WeakPolarHBondContact O-CA 3.35Å; D8-H11 VanDerWaalsContact O-CB 3.31Å; D8-H11 WeakPolarHBondContact O-CB 3.41Å; D8-H11 PolarHBondContact O-N 2.86Å; H11-S14 PolarHBondContact O-N 3.4Å; H11-N15 VanDerWaalsContact O-CB 3.31Å; H11-N15 WeakPolarHBondContact O-CB 3.37Å; H11-N15 PolarHBondContact O-N 2.78Å
12V82.4Confident73Confident33 Ų3392.2 Ų92.220%0.252%0.52CS..Hα-helixtrans-66.1-40.9175.2-172.40000110.5D8 P9 Y16 L113 L114D8-V12 PolarHBondContact O-N 3.2Å; P9-V12 PolarHBondContact O-N 2.84Å; V12-Y16 PolarHBondContact O-N 3.38Å; V12-Y16 VanDerWaalsContact O-N 3.12Å; V12-L113 HydrophobicContact CG1-CD2 4.3Å; V12-L113 HydrophobicContact CG1-CG 4.17Å; V12-L114 HydrophobicContact CG1-CD2 3.94Å
13V85.7Confident75.6Confident76 Ų7685.1 Ų85.146%0.46148%0.482SS..Hα-helixtrans-67.4-41.7175.2175.20000112.1P9 V10 Y16 V17 L114P9-V13 WeakPolarHBondContact O-CG2 3.37Å; P9-V13 PolarHBondContact O-N 3.37Å; P9-V13 VanDerWaalsContact O-N 3.17Å; V10-V13 PolarHBondContact O-N 3.15Å; V13-Y16 PolarHBondContact O-N 3.42Å; V13-V17 WeakPolarHBondContact O-CG2 3.47Å; V13-V17 PolarHBondContact O-N 3.16Å; V13-V17 VanDerWaalsContact O-N 3.08Å; V13-L114 HydrophobicContact CB-CD2 4.42Å; V13-L114 HydrophobicContact CG2-CD2 3.71Å
14S87.1Confident78.1Confident55 Ų5581.7 Ų81.739%0.38547%0.467SS..Hα-helixtrans-60.5-50.7176.7-151.40000111.1V10 H11 Y16 V17 E18V10-S14 PolarHBondContact O-N 2.88Å; H11-S14 PolarHBondContact O-N 3.4Å; S14-Y16 VanDerWaalsContact C-N 3.34Å; S14-Y16 PolarHBondContact O-N 3.44Å; S14-V17 PolarHBondContact O-N 2.98Å; S14-V17 VanDerWaalsContact O-N 3.08Å; S14-E18 WeakPolarHBondContact CB-OE1 3.25Å; S14-E18 WeakPolarHBondContact O-CG 3.39Å; S14-E18 PolarHBondContact O-N 3.44Å; S14-E18 PolarHBondContact OG-OE1 3.26Å
15N85.6Confident80.5Confident63 Ų6381.8 Ų81.834%0.33746%0.456SS..Hα-helixtrans-58.7-43.8-179.2-158.394.9000111.6H11 E18 E19H11-N15 VanDerWaalsContact O-CB 3.31Å; H11-N15 WeakPolarHBondContact O-CB 3.37Å; H11-N15 PolarHBondContact O-N 2.78Å; N15-E18 PolarHBondContact O-N 2.97Å; N15-E19 PolarHBondContact ND2-OE1 3.39Å; N15-E19 PolarHBondContact ND2-OE2 2.94Å; N15-E19 WeakPolarHBondContact O-CB 3.45Å; N15-E19 VanDerWaalsContact O-CG 3.25Å; N15-E19 WeakPolarHBondContact O-CG 3.15Å; N15-E19 PolarHBondContact O-N 3.47Å
16Y86.9Confident82.8Confident54 Ų5480.9 Ų80.921%0.21245%0.446CS..Hα-helixtrans-59.3-47.1173.6169.3-114.9000113.1V12 V13 S14 E18 E19 Y20 H110 L114V12-Y16 PolarHBondContact O-N 3.38Å; V12-Y16 VanDerWaalsContact O-N 3.12Å; V13-Y16 PolarHBondContact O-N 3.42Å; S14-Y16 VanDerWaalsContact C-N 3.34Å; S14-Y16 PolarHBondContact O-N 3.44Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E19 PolarHBondContact O-N 2.86Å; Y16-Y20 HydrophobicContact CE2-CD2 4.48Å; Y16-Y20 WeakPolarHBondContact O-CB 3.42Å; Y16-Y20 PolarHBondContact O-N 3.25Å; Y16-H110 HydrophobicContact CD2-CB 3.3Å; Y16-H110 HydrophobicContact CE2-CB 3.76Å; Y16-H110 HydrophobicContact CG-CB 4.36Å; Y16-L114 HydrophobicContact CD1-CD1 3.17Å; Y16-L114 HydrophobicContact CD1-CG 4.4Å; Y16-L114 HydrophobicContact CD2-CD1 4.13Å; Y16-L114 HydrophobicContact CE1-CD1 3.62Å; Y16-L114 HydrophobicContact CE2-CD1 4.47Å; Y16-L114 HydrophobicContact CG-CD1 3.4Å; Y16-L114 HydrophobicContact CG-CG 4.23Å
17V89.6Confident85.1Confident67 Ų6775.4 Ų75.441%0.40642%0.416SS..Hα-helixtrans-66.8-39.7-176.7171.60000110.4V13 S14 L21V13-V17 WeakPolarHBondContact O-CG2 3.47Å; V13-V17 PolarHBondContact O-N 3.16Å; V13-V17 VanDerWaalsContact O-N 3.08Å; S14-V17 PolarHBondContact O-N 2.98Å; S14-V17 VanDerWaalsContact O-N 3.08Å; V17-L21 HydrophobicContact CG1-CD1 3.85Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 WeakPolarHBondContact O-CD1 3.36Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.44Å
18E89.4Confident87Confident106 Ų10676.2 Ų76.250%0.49541%0.411SS..Hα-helixtrans-61.3-53.9174.4-70.7160.9-134.800111S14 N15 Y16 Y20 L21 D22S14-E18 WeakPolarHBondContact CB-OE1 3.25Å; S14-E18 WeakPolarHBondContact O-CG 3.39Å; S14-E18 PolarHBondContact O-N 3.44Å; S14-E18 PolarHBondContact OG-OE1 3.26Å; N15-E18 PolarHBondContact O-N 2.97Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; E18-Y20 PolarHBondContact O-N 2.81Å; E18-L21 PolarHBondContact O-N 3.45Å; E18-D22 PolarHBondContact O-N 2.85Å
19E87.3Confident88.2Confident65 Ų6578.1 Ų78.130%0.30442%0.415SS..Hα-helixtrans-63.2-37.5179.3-68.8165.9144.800112.8N15 Y16 L23 H110N15-E19 PolarHBondContact ND2-OE1 3.39Å; N15-E19 PolarHBondContact ND2-OE2 2.94Å; N15-E19 WeakPolarHBondContact O-CB 3.45Å; N15-E19 VanDerWaalsContact O-CG 3.25Å; N15-E19 WeakPolarHBondContact O-CG 3.15Å; N15-E19 PolarHBondContact O-N 3.47Å; Y16-E19 PolarHBondContact O-N 2.86Å; E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 VanDerWaalsContact O-CG 3.24Å; E19-L23 WeakPolarHBondContact O-CG 3.49Å; E19-L23 PolarHBondContact O-N 2.98Å; E19-L23 VanDerWaalsContact O-N 3.1Å; E19-H110 IonicContact OE1-CE1 2.9Å; E19-H110 IonicContact OE2-CE1 3.94Å; E19-H110 PolarHBondContact OE2-CE1 2.89Å; E19-H110 IonicContact OE2-CG 2.65Å; E19-H110 IonicContact OE2-ND1 2.82Å; E19-H110 PolarHBondContact OE2-ND1 3.42Å; E19-H110 IonicContact OE2-NE2 2.63Å
20Y90.7Very high89.5Confident93 Ų9377 Ų7737%0.36541%0.405SS..Hα-helixtrans-66.3-42.6175.9176.6-93.7000112Y16 E18 L23 V24 V107Y16-Y20 HydrophobicContact CE2-CD2 4.48Å; Y16-Y20 WeakPolarHBondContact O-CB 3.42Å; Y16-Y20 PolarHBondContact O-N 3.25Å; E18-Y20 PolarHBondContact O-N 2.81Å; Y20-L23 PolarHBondContact O-N 2.98Å; Y20-V24 HydrophobicContact CD1-CG2 4.3Å; Y20-V24 HydrophobicContact CD2-CG2 4.34Å; Y20-V24 HydrophobicContact CE1-CG2 3.87Å; Y20-V24 HydrophobicContact CE2-CG2 3.9Å; Y20-V24 WeakPolarHBondContact O-CB 3.41Å; Y20-V24 WeakPolarHBondContact O-CG2 3.5Å; Y20-V24 PolarHBondContact O-N 2.93Å; Y20-V107 HydrophobicContact CD2-CG1 4.12Å; Y20-V107 HydrophobicContact CD2-CG2 4.02Å; Y20-V107 HydrophobicContact CE2-CG1 4.15Å; Y20-V107 HydrophobicContact CE2-CG2 4.35Å
21L92.1Very high90.4Very high81 Ų8173.8 Ų73.842%0.42438%0.384SS..Hα-helixtrans-66-46.6177.5-73.1170.6000110.9V17 E18 L23 V24 E25V17-L21 HydrophobicContact CG1-CD1 3.85Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 WeakPolarHBondContact O-CD1 3.36Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.44Å; E18-L21 PolarHBondContact O-N 3.45Å; L21-L23 VanDerWaalsContact C-N 3.26Å; L21-L23 PolarHBondContact O-N 3Å; L21-V24 PolarHBondContact O-N 3.27Å; L21-E25 WeakPolarHBondContact O-CB 3.42Å; L21-E25 WeakPolarHBondContact O-CG 3.3Å; L21-E25 PolarHBondContact O-N 2.93Å
22D90.8Very high91.2Very high112 Ų11273.7 Ų73.760%0.59938%0.384SS*.Hα-helixtrans-55.5-41.9176-79.5-10.4000111.8E18 S26E18-D22 PolarHBondContact O-N 2.85Å; D22-S26 VanDerWaalsContact O-CB 3.24Å; D22-S26 WeakPolarHBondContact O-CB 3.39Å; D22-S26 PolarHBondContact O-N 3.37Å; D22-S26 PolarHBondContact O-OG 3.35Å
23L91.3Very high92Very high30 Ų3080.2 Ų80.216%0.15741%0.405CS..Hα-helixtrans-68.7-45.7177.4-74170.5000113.3E19 Y20 L21 E25 S26 L27 Q106 V107E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 VanDerWaalsContact O-CG 3.24Å; E19-L23 WeakPolarHBondContact O-CG 3.49Å; E19-L23 PolarHBondContact O-N 2.98Å; E19-L23 VanDerWaalsContact O-N 3.1Å; Y20-L23 PolarHBondContact O-N 2.98Å; L21-L23 VanDerWaalsContact C-N 3.26Å; L21-L23 PolarHBondContact O-N 3Å; L23-E25 VanDerWaalsContact C-N 3.35Å; L23-S26 PolarHBondContact O-OG 2.92Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.32Å; L23-Q106 HydrophobicContact CD1-CB 3.89Å; L23-V107 HydrophobicContact CD1-CG2 4.22Å
24V89.3Confident92.6Very high68 Ų6877.3 Ų77.341%0.41239%0.388SS..Hα-helixtrans-71.6-30.4-178.7171.80000112Y20 L21 P28Y20-V24 HydrophobicContact CD1-CG2 4.3Å; Y20-V24 HydrophobicContact CD2-CG2 4.34Å; Y20-V24 HydrophobicContact CE1-CG2 3.87Å; Y20-V24 HydrophobicContact CE2-CG2 3.9Å; Y20-V24 WeakPolarHBondContact O-CB 3.41Å; Y20-V24 WeakPolarHBondContact O-CG2 3.5Å; Y20-V24 PolarHBondContact O-N 2.93Å; L21-V24 PolarHBondContact O-N 3.27Å; V24-P28 WeakPolarHBondContact O-CD 3.41Å; V24-P28 WeakPolarHBondContact O-CG 3.43Å
25E93.4Very high93.1Very high128 Ų12877.2 Ų77.260%0.59839%0.385SS*.Hα-helixtrans-77.2-39.7174.6-70.5-169.6-176.800112.4L21 L23 F29L21-E25 WeakPolarHBondContact O-CB 3.42Å; L21-E25 WeakPolarHBondContact O-CG 3.3Å; L21-E25 PolarHBondContact O-N 2.93Å; L23-E25 VanDerWaalsContact C-N 3.35Å; E25-F29 WeakPolarHBondContact O-CD2 3.42Å; E25-F29 WeakPolarHBondContact O-CE2 3.36Å
26S93.2Very high93.7Very high51 Ų5177.1 Ų77.136%0.35739%0.389SS..Hα-helixtrans-77.5-44.5-177.657.20000114.3D22 L23 P28 F29 D30D22-S26 VanDerWaalsContact O-CB 3.24Å; D22-S26 WeakPolarHBondContact O-CB 3.39Å; D22-S26 PolarHBondContact O-N 3.37Å; D22-S26 PolarHBondContact O-OG 3.35Å; L23-S26 PolarHBondContact O-OG 2.92Å; S26-P28 VanDerWaalsContact C-CD 3.47Å; S26-F29 PolarHBondContact O-N 3.17Å; S26-D30 PolarHBondContact O-N 3.41Å
27L94.8Very high94.3Very high39 Ų3978.4 Ų78.420%0.20440%0.399CS..Hα-helixtrans-53.1-42.5-173.3178.468.7000114.2L23 F29 D30 L31 L99 V100 C103L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.32Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.03Å; L27-D30 PolarHBondContact O-N 3.38Å; L27-L31 HydrophobicContact CD1-CD1 3.96Å; L27-L31 HydrophobicContact CD1-CG 3.94Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.89Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.39Å; L27-L99 HydrophobicContact CD1-CB 4.3Å; L27-V100 HydrophobicContact CD1-CG2 4.34Å; L27-C103 HydrophobicContact CD2-CB 4.11Å
28P96.8Very high94.7Very high72 Ų7277 Ų7747%0.46839%0.388SS..Hα-helixtrans-60.5-37.1176.8-24.735.5000113.5V24 S26 Q32V24-P28 WeakPolarHBondContact O-CD 3.41Å; V24-P28 WeakPolarHBondContact O-CG 3.43Å; S26-P28 VanDerWaalsContact C-CD 3.47Å; P28-Q32 WeakPolarHBondContact O-CB 3.41Å; P28-Q32 PolarHBondContact O-N 2.85Å
29F97.3Very high95.1Very high138 Ų13878.8 Ų78.861%0.60540%0.395SS*.Hα-helixtrans-73.4-40.1179.7-62.3-66.2000112E25 S26 L27 Q32 R33E25-F29 WeakPolarHBondContact O-CD2 3.42Å; E25-F29 WeakPolarHBondContact O-CE2 3.36Å; S26-F29 PolarHBondContact O-N 3.17Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.03Å; F29-Q32 PolarHBondContact O-N 3.47Å; F29-R33 PolarHBondContact O-N 3.32Å
30D96.7Very high95.6Very high52 Ų5281.9 Ų81.928%0.27841%0.409SS..Hα-helixtrans-70.9-36.9177.3-74.5-39000112.2S26 L27 R33 S34 L99S26-D30 PolarHBondContact O-N 3.41Å; L27-D30 PolarHBondContact O-N 3.38Å; D30-R33 PolarHBondContact O-N 2.89Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 2.81Å; D30-R33 PolarHBondContact OD1-NH1 3.36Å; D30-R33 IonicContact OD1-NH2 3.99Å; D30-S34 WeakPolarHBondContact O-CB 3.49Å; D30-S34 PolarHBondContact O-N 3.04Å; D30-S34 PolarHBondContact O-OG 2.97Å; D30-L99 HydrophobicContact CB-CD1 4.43Å
31L97.6Very high96Very high41 Ų4178.2 Ų78.222%0.21540%0.396CS..Hα-helixtrans-64.4-41.9168.7-72.6177000111.6L27 R33 S34 V35 M96 V100L27-L31 HydrophobicContact CD1-CD1 3.96Å; L27-L31 HydrophobicContact CD1-CG 3.94Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.89Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.39Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.41Å; L31-S34 PolarHBondContact O-N 3.46Å; L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.01Å; L31-M96 HydrophobicContact CD2-CB 4.12Å; L31-M96 HydrophobicContact CD2-CE 4.2Å; L31-M96 HydrophobicContact CD2-CG 4.17Å; L31-V100 HydrophobicContact CD1-CG2 4Å; L31-V100 HydrophobicContact CD2-CG2 4.03Å
32Q98.2Very high96.3Very high123 Ų12376.5 Ų76.558%0.57539%0.387SS*.Hα-helixtrans-62.5-40.4176-177.9177.4-300111.9P28 F29 S36P28-Q32 WeakPolarHBondContact O-CB 3.41Å; P28-Q32 PolarHBondContact O-N 2.85Å; F29-Q32 PolarHBondContact O-N 3.47Å; Q32-S36 WeakPolarHBondContact O-CB 3.31Å; Q32-S36 PolarHBondContact O-N 2.93Å; Q32-S36 PolarHBondContact O-OG 2.91Å
33R98.1Very high96.6Very high170 Ų17073.4 Ų73.464%0.64238%0.377SS*.Hα-helixtrans-59.8-50.2173-174.2-172.6-67.9133.64.5110.9F29 D30 L31 V35 S36 L37F29-R33 PolarHBondContact O-N 3.32Å; D30-R33 PolarHBondContact O-N 2.89Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 2.81Å; D30-R33 PolarHBondContact OD1-NH1 3.36Å; D30-R33 IonicContact OD1-NH2 3.99Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.41Å; R33-V35 PolarHBondContact O-N 2.93Å; R33-S36 WeakPolarHBondContact O-CB 3.21Å; R33-S36 PolarHBondContact O-N 3.42Å; R33-S36 VanDerWaalsContact O-N 3.12Å; R33-L37 PolarHBondContact O-N 3.3Å
34S98.2Very high97Very high16 Ų1674.5 Ų74.511%0.11239%0.385CS..Hα-helixtrans-63-41.9-179.1-54.60000112.4D30 L31 S36 L37 M38 I92D30-S34 WeakPolarHBondContact O-CB 3.49Å; D30-S34 PolarHBondContact O-N 3.04Å; D30-S34 PolarHBondContact O-OG 2.97Å; L31-S34 PolarHBondContact O-N 3.46Å; S34-S36 VanDerWaalsContact C-N 3.31Å; S34-S36 PolarHBondContact O-N 2.97Å; S34-L37 PolarHBondContact O-N 3.29Å; S34-M38 WeakPolarHBondContact O-CB 3.35Å; S34-M38 PolarHBondContact O-N 3.27Å; S34-I92 WeakPolarHBondContact O-CG2 3.49Å
35V98.3Very high97.4Very high53 Ų5374.5 Ų74.532%0.32138%0.378SS..Hα-helixtrans-65.4-33.7173.7169.80000112.1L31 R33 K39 M96L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.01Å; R33-V35 PolarHBondContact O-N 2.93Å; V35-K39 HydrophobicContact CG1-CD 4.36Å; V35-K39 VanDerWaalsContact O-CG 3.31Å; V35-K39 WeakPolarHBondContact O-CG 2.94Å; V35-K39 PolarHBondContact O-N 3.31Å; V35-K39 VanDerWaalsContact O-N 3.09Å; V35-M96 HydrophobicContact CG2-CE 3.46Å; V35-M96 VanDerWaalsContact CG2-CE 3.46Å; V35-M96 HydrophobicContact CG2-SD 4.07Å
36S98.3Very high97.6Very high61 Ų6174.2 Ų74.243%0.42738%0.377SS..Hα-helixtrans-70.2-44.1177.7-580000111Q32 R33 S34 K39 E40Q32-S36 WeakPolarHBondContact O-CB 3.31Å; Q32-S36 PolarHBondContact O-N 2.93Å; Q32-S36 PolarHBondContact O-OG 2.91Å; R33-S36 WeakPolarHBondContact O-CB 3.21Å; R33-S36 PolarHBondContact O-N 3.42Å; R33-S36 VanDerWaalsContact O-N 3.12Å; S34-S36 VanDerWaalsContact C-N 3.31Å; S34-S36 PolarHBondContact O-N 2.97Å; S36-K39 PolarHBondContact O-N 3.15Å; S36-E40 PolarHBondContact O-N 2.92Å
37L98.3Very high97.8Very high81 Ų8177.1 Ų77.142%0.42439%0.389SS..Hα-helixtrans-62.7-44.2173.3-175.265.6000111.6R33 S34 K39 E40 I41 I92R33-L37 PolarHBondContact O-N 3.3Å; S34-L37 PolarHBondContact O-N 3.29Å; L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 PolarHBondContact O-N 2.78Å; L37-E40 WeakPolarHBondContact O-CB 3.23Å; L37-E40 PolarHBondContact O-N 3.17Å; L37-E40 VanDerWaalsContact O-N 3.11Å; L37-I41 PolarHBondContact O-N 3.04Å; L37-I92 HydrophobicContact CB-CD1 4.32Å; L37-I92 HydrophobicContact CD2-CD1 3.66Å; L37-I92 HydrophobicContact CD2-CG1 4.11Å; L37-I92 HydrophobicContact CG-CD1 3.65Å
38M98.4Very high97.8Very high36 Ų3675.6 Ų75.618%0.17738%0.382CS..Hα-helixtrans-53.9-44.2173.8-17474.97500111.4S34 E40 I41 D42 K89 I92 A93S34-M38 WeakPolarHBondContact O-CB 3.35Å; S34-M38 PolarHBondContact O-N 3.27Å; M38-E40 VanDerWaalsContact C-N 3.34Å; M38-E40 PolarHBondContact O-N 3.41Å; M38-I41 PolarHBondContact O-N 3.48Å; M38-D42 VanDerWaalsContact O-CB 3.31Å; M38-D42 WeakPolarHBondContact O-CB 3.31Å; M38-D42 PolarHBondContact O-N 3.29Å; M38-D42 VanDerWaalsContact O-OD1 3.12Å; M38-K89 WeakPolarHBondContact CE-O 3.49Å; M38-K89 HydrophobicContact SD-CB 3.84Å; M38-K89 HydrophobicContact SD-CG 3.83Å; M38-I92 HydrophobicContact CB-CG2 4.34Å; M38-I92 HydrophobicContact CE-CB 3.78Å; M38-I92 HydrophobicContact CE-CG2 3.77Å; M38-I92 HydrophobicContact SD-CB 4.49Å; M38-A93 HydrophobicContact CE-CB 3.83Å
39K98.4Very high97.8Very high145 Ų14575 Ų7563%0.6338%0.375SS*.Hα-helixtrans-65.1-34.4178.9-75.6170.5179.7177.60113.5V35 S36 L37 A43V35-K39 HydrophobicContact CG1-CD 4.36Å; V35-K39 VanDerWaalsContact O-CG 3.31Å; V35-K39 WeakPolarHBondContact O-CG 2.94Å; V35-K39 PolarHBondContact O-N 3.31Å; V35-K39 VanDerWaalsContact O-N 3.09Å; S36-K39 PolarHBondContact O-N 3.15Å; L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 PolarHBondContact O-N 2.78Å; K39-A43 PolarHBondContact O-N 2.89Å
40E98.2Very high97.8Very high129 Ų12974.4 Ų74.460%0.60337%0.374SS*.Hα-helixtrans-68.6-43.5176.2-174.8174.3-176.500111.4S36 L37 M38 A43 T44S36-E40 PolarHBondContact O-N 2.92Å; L37-E40 WeakPolarHBondContact O-CB 3.23Å; L37-E40 PolarHBondContact O-N 3.17Å; L37-E40 VanDerWaalsContact O-N 3.11Å; M38-E40 VanDerWaalsContact C-N 3.34Å; M38-E40 PolarHBondContact O-N 3.41Å; E40-A43 PolarHBondContact O-N 3.09Å; E40-T44 PolarHBondContact O-N 3.07Å; E40-T44 VanDerWaalsContact O-N 3.1Å; E40-T44 PolarHBondContact O-OG1 3.14Å
41I98.1Very high97.8Very high16 Ų1676.6 Ų76.68%0.08238%0.382CS..Hα-helixtrans-68.4-38.7173.7-56.1-169.7000110.9L37 M38 A43 T44 Y45 L85 E88 K89 I92L37-I41 PolarHBondContact O-N 3.04Å; M38-I41 PolarHBondContact O-N 3.48Å; I41-A43 PolarHBondContact O-N 3.44Å; I41-T44 PolarHBondContact O-N 3.1Å; I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 3.11Å; I41-L85 HydrophobicContact CG2-CB 4.3Å; I41-L85 HydrophobicContact CG2-CD2 4.01Å; I41-E88 HydrophobicContact CD1-CB 3.93Å; I41-K89 HydrophobicContact CB-CG 4.21Å; I41-K89 HydrophobicContact CG2-CD 4.24Å; I41-K89 HydrophobicContact CG2-CG 3.65Å; I41-I92 HydrophobicContact CD1-CD1 3.53Å; I41-I92 HydrophobicContact CG1-CD1 4.38Å
42D98.3Very high97.8Very high45 Ų4575.7 Ų75.724%0.24138%0.377CS..Hα-helixtrans-59.8-42.7174.8-95.560.3000112.8M38 Y45 Q46 K89M38-D42 VanDerWaalsContact O-CB 3.31Å; M38-D42 WeakPolarHBondContact O-CB 3.31Å; M38-D42 PolarHBondContact O-N 3.29Å; M38-D42 VanDerWaalsContact O-OD1 3.12Å; D42-Y45 PolarHBondContact O-N 2.71Å; D42-Q46 WeakPolarHBondContact O-CB 3.34Å; D42-Q46 VanDerWaalsContact O-CG 3.3Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 3.04Å; D42-K89 VanDerWaalsContact OD1-CD 3.23Å; D42-K89 WeakPolarHBondContact OD1-CD 3.1Å; D42-K89 WeakPolarHBondContact OD1-CE 3.24Å; D42-K89 IonicContact OD1-NZ 2.74Å; D42-K89 PolarHBondContact OD1-NZ 2.98Å; D42-K89 IonicContact OD2-NZ 2.79Å; D42-K89 PolarHBondContact OD2-NZ 2.98Å
43A98.3Very high97.8Very high48 Ų4874.8 Ų74.840%0.39738%0.377SS..Hα-helixtrans-62.7-49174.400000110.9K39 E40 I41 Y45 Q46 D47K39-A43 PolarHBondContact O-N 2.89Å; E40-A43 PolarHBondContact O-N 3.09Å; I41-A43 PolarHBondContact O-N 3.44Å; A43-Y45 VanDerWaalsContact C-N 3.26Å; A43-Y45 PolarHBondContact O-N 3.45Å; A43-Q46 PolarHBondContact O-N 3.1Å; A43-Q46 VanDerWaalsContact O-N 3.15Å; A43-D47 PolarHBondContact O-N 3.38Å
44T97.9Very high97.8Very high53 Ų5371 Ų7133%0.32537%0.369SS..Hα-helixtrans-60.3-35.7177.7-530000112.4E40 I41 G48 L85E40-T44 PolarHBondContact O-N 3.07Å; E40-T44 VanDerWaalsContact O-N 3.1Å; E40-T44 PolarHBondContact O-OG1 3.14Å; I41-T44 PolarHBondContact O-N 3.1Å; T44-G48 PolarHBondContact O-N 3.19Å; T44-L85 HydrophobicContact CG2-CD1 4.06Å; T44-L85 HydrophobicContact CG2-CD2 4.08Å
45Y98.1Very high97.8Very high68 Ų6870.5 Ų70.527%0.26737%0.366SS..Hα-helixtrans-70.8-41176178.7-101.8000112I41 D42 A43 G48 L49 S82 L85I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 3.11Å; D42-Y45 PolarHBondContact O-N 2.71Å; A43-Y45 VanDerWaalsContact C-N 3.26Å; A43-Y45 PolarHBondContact O-N 3.45Å; Y45-G48 PolarHBondContact O-N 3.24Å; Y45-L49 HydrophobicContact CD1-CD1 4.07Å; Y45-L49 HydrophobicContact CD1-CG 4.42Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE1-CG 4.05Å; Y45-L49 HydrophobicContact CE2-CG 4.49Å; Y45-L49 WeakPolarHBondContact O-CG 3.27Å; Y45-L49 PolarHBondContact O-N 3.48Å; Y45-S82 VanDerWaalsContact CE2-O 3.28Å; Y45-S82 WeakPolarHBondContact CE2-O 3.21Å; Y45-L85 HydrophobicContact CD2-CB 3.98Å
46Q97.9Very high97.8Very high122 Ų12274 Ų7457%0.5737%0.374SS*.Hα-helixtrans-63.2-45174.6-74.6174.316.500111.7D42 A43 G48 L49 Q50D42-Q46 WeakPolarHBondContact O-CB 3.34Å; D42-Q46 VanDerWaalsContact O-CG 3.3Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 3.04Å; A43-Q46 PolarHBondContact O-N 3.1Å; A43-Q46 VanDerWaalsContact O-N 3.15Å; Q46-G48 VanDerWaalsContact C-N 3.3Å; Q46-G48 PolarHBondContact O-N 2.88Å; Q46-L49 PolarHBondContact O-N 3.09Å; Q46-Q50 PolarHBondContact O-N 2.8Å
47D97.2Very high97.8Very high112 Ų11274.9 Ų74.960%0.59937%0.371SS*.Hα-helixtrans-59.6-41.6174-70.3-14.5000111.4A43 Q50 E51A43-D47 PolarHBondContact O-N 3.38Å; D47-Q50 PolarHBondContact O-N 3.1Å; D47-E51 PolarHBondContact O-N 3.32Å
48G95.6Very high97.8Very high6 Ų677.5 Ų77.56%0.06238%0.375CS..Hα-helixtrans-65.4-36.7176.300000114.1T44 Y45 Q46 L52T44-G48 PolarHBondContact O-N 3.19Å; Y45-G48 PolarHBondContact O-N 3.24Å; Q46-G48 VanDerWaalsContact C-N 3.3Å; Q46-G48 PolarHBondContact O-N 2.88Å; G48-L52 WeakPolarHBondContact O-CB 3.47Å; G48-L52 PolarHBondContact O-N 2.79Å
49L97.1Very high97.8Very high61 Ų6178.2 Ų78.232%0.31938%0.376SS..Hα-helixtrans-68-39.6172.5-72.4-176.6000111.8Y45 Q46 L52 D53Y45-L49 HydrophobicContact CD1-CD1 4.07Å; Y45-L49 HydrophobicContact CD1-CG 4.42Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE1-CG 4.05Å; Y45-L49 HydrophobicContact CE2-CG 4.49Å; Y45-L49 WeakPolarHBondContact O-CG 3.27Å; Y45-L49 PolarHBondContact O-N 3.48Å; Q46-L49 PolarHBondContact O-N 3.09Å; L49-L52 HydrophobicContact CD2-CD2 4.32Å; L49-L52 WeakPolarHBondContact O-CB 3.3Å; L49-L52 PolarHBondContact O-N 2.74Å; L49-D53 PolarHBondContact O-N 2.93Å
50Q97.4Very high97.8Very high124 Ų12473.7 Ų73.758%0.57936%0.363SS*.Hα-helixtrans-64.9-42175.1-174.2175.5-15.500111.6Q46 D47 L52 D53 D54Q46-Q50 PolarHBondContact O-N 2.8Å; D47-Q50 PolarHBondContact O-N 3.1Å; Q50-L52 VanDerWaalsContact C-N 3.31Å; Q50-L52 PolarHBondContact O-N 3.05Å; Q50-D53 PolarHBondContact O-N 3.42Å; Q50-D54 PolarHBondContact O-N 2.97Å
51E96.3Very high97.8Very high99 Ų9976.4 Ų76.446%0.46337%0.368SS..Hα-helixtrans-59.6-42.8173.1-173.7-176.8-176.300111.2D47 D54 V55 R81D47-E51 PolarHBondContact O-N 3.32Å; E51-D54 PolarHBondContact O-N 3.5Å; E51-V55 HydrophobicContact CG-CG2 4.48Å; E51-V55 VanDerWaalsContact O-CG2 3.25Å; E51-V55 WeakPolarHBondContact O-CG2 3.4Å; E51-V55 PolarHBondContact O-N 3.39Å; E51-R81 IonicContact OE2-NH1 3.75Å
52L97.9Very high97.8Very high21 Ų2178.2 Ų78.211%0.1138%0.376CS..Hα-helixtrans-60.1-46.7177.1173.663.5000112G48 L49 Q50 V55 Y56 I75 A78 L79G48-L52 WeakPolarHBondContact O-CB 3.47Å; G48-L52 PolarHBondContact O-N 2.79Å; L49-L52 HydrophobicContact CD2-CD2 4.32Å; L49-L52 WeakPolarHBondContact O-CB 3.3Å; L49-L52 PolarHBondContact O-N 2.74Å; Q50-L52 VanDerWaalsContact C-N 3.31Å; Q50-L52 PolarHBondContact O-N 3.05Å; L52-V55 PolarHBondContact O-N 2.89Å; L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.1Å; L52-I75 HydrophobicContact CD1-CB 4.49Å; L52-I75 HydrophobicContact CD1-CG2 3.98Å; L52-A78 HydrophobicContact CB-CB 4.22Å; L52-A78 HydrophobicContact CD1-CB 3.95Å; L52-L79 HydrophobicContact CD1-CD2 4.25Å; L52-L79 HydrophobicContact CD1-CG 4.04Å; L52-L79 HydrophobicContact CD2-CD2 3.67Å; L52-L79 HydrophobicContact CD2-CG 4.3Å
53D98.3Very high97.8Very high105 Ų10581.2 Ų81.256%0.56140%0.401SS*.Hα-helixtrans-63.1-43176.9-79.1-17.2000111.5L49 Q50 V55 Y56 E57L49-D53 PolarHBondContact O-N 2.93Å; Q50-D53 PolarHBondContact O-N 3.42Å; D53-V55 VanDerWaalsContact C-N 3.34Å; D53-V55 PolarHBondContact O-N 3.05Å; D53-Y56 PolarHBondContact O-N 3.34Å; D53-Y56 VanDerWaalsContact O-N 3.15Å; D53-E57 PolarHBondContact O-N 2.96Å
54D97.9Very high97.8Very high89 Ų8982.4 Ų82.448%0.47640%0.4SS..Hα-helixtrans-63.9-35.1175.9-83.3-19.3000112.9Q50 E51 R58Q50-D54 PolarHBondContact O-N 2.97Å; E51-D54 PolarHBondContact O-N 3.5Å; D54-R58 WeakPolarHBondContact O-CG 3.38Å; D54-R58 PolarHBondContact O-N 3.36Å; D54-R58 PolarHBondContact O-NE 3.48Å
55V97.9Very high97.7Very high7 Ų784.6 Ų84.64%0.04242%0.415CS..Hα-helixtrans-72.3-39172.3-178.90000110.5E51 L52 D53 R58 Y59 L71 A74 I75E51-V55 HydrophobicContact CG-CG2 4.48Å; E51-V55 VanDerWaalsContact O-CG2 3.25Å; E51-V55 WeakPolarHBondContact O-CG2 3.4Å; E51-V55 PolarHBondContact O-N 3.39Å; L52-V55 PolarHBondContact O-N 2.89Å; D53-V55 VanDerWaalsContact C-N 3.34Å; D53-V55 PolarHBondContact O-N 3.05Å; V55-R58 PolarHBondContact O-N 3.42Å; V55-Y59 WeakPolarHBondContact O-CB 3.5Å; V55-Y59 PolarHBondContact O-N 3.05Å; V55-L71 HydrophobicContact CG1-CD2 4.13Å; V55-A74 HydrophobicContact CG1-CB 3.84Å; V55-I75 HydrophobicContact CB-CG1 4.31Å; V55-I75 HydrophobicContact CG1-CD1 4.42Å; V55-I75 HydrophobicContact CG1-CG1 3.61Å
56Y98.3Very high97.7Very high127 Ų12787.4 Ų87.450%0.49844%0.435SS..Hα-helixtrans-65.1-44.4178.9-178.6-92.8000112.4L52 D53 R58 Y59 S60 I75L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.1Å; D53-Y56 PolarHBondContact O-N 3.34Å; D53-Y56 VanDerWaalsContact O-N 3.15Å; Y56-R58 VanDerWaalsContact C-N 3.33Å; Y56-R58 PolarHBondContact O-N 3.46Å; Y56-Y59 CarbonylContact O-C 3.39Å; Y56-Y59 WeakPolarHBondContact O-CB 3.47Å; Y56-Y59 PolarHBondContact O-N 3.29Å; Y56-Y59 VanDerWaalsContact O-N 3.16Å; Y56-S60 PolarHBondContact O-N 2.68Å; Y56-I75 HydrophobicContact CD2-CD1 4.25Å
57E98.4Very high97.7Very high79 Ų7984.8 Ų84.837%0.36942%0.422SS..Hα-helixtrans-62.6-38.2175.2-89.3-63.5123.500112.4D53 S60 R61D53-E57 PolarHBondContact O-N 2.96Å; E57-S60 PolarHBondContact O-OG 3.45Å; E57-R61 WeakPolarHBondContact O-CD 3.5Å; E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 3.12Å; E57-R61 IonicContact OE2-CZ 3.18Å; E57-R61 IonicContact OE2-NE 2.85Å; E57-R61 PolarHBondContact OE2-NE 2.89Å; E57-R61 IonicContact OE2-NH2 2.67Å; E57-R61 PolarHBondContact OE2-NH2 2.88Å
58R98.2Very high97.8Very high136 Ų13683.4 Ų83.451%0.51341%0.409SS..Hα-helixtrans-64.3-45.3171.1-75.5178.2-72.9170.3-6.1111.4D54 V55 Y56 S60 R61 E62 L71D54-R58 WeakPolarHBondContact O-CG 3.38Å; D54-R58 PolarHBondContact O-N 3.36Å; D54-R58 PolarHBondContact O-NE 3.48Å; V55-R58 PolarHBondContact O-N 3.42Å; Y56-R58 VanDerWaalsContact C-N 3.33Å; Y56-R58 PolarHBondContact O-N 3.46Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 2.87Å; R58-R61 PolarHBondContact O-N 2.96Å; R58-E62 WeakPolarHBondContact O-CB 3.37Å; R58-E62 PolarHBondContact O-N 3.43Å; R58-L71 HydrophobicContact CB-CD1 4.21Å; R58-L71 HydrophobicContact CB-CD2 4.31Å
59Y98.4Very high97.9Very high50 Ų5088.2 Ų88.220%0.19643%0.429CS..Hα-helixtrans-62.2-37.5177.4170.7-96.2000112.9V55 Y56 R61 E62 R68 L71 Q72 I75V55-Y59 WeakPolarHBondContact O-CB 3.5Å; V55-Y59 PolarHBondContact O-N 3.05Å; Y56-Y59 CarbonylContact O-C 3.39Å; Y56-Y59 WeakPolarHBondContact O-CB 3.47Å; Y56-Y59 PolarHBondContact O-N 3.29Å; Y56-Y59 VanDerWaalsContact O-N 3.16Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 2.86Å; Y59-E62 PolarHBondContact O-N 3.43Å; Y59-R68 HydrophobicContact CD2-CG 3.73Å; Y59-R68 WeakPolarHBondContact CD2-O 3.03Å; Y59-R68 HydrophobicContact CE2-CG 3.37Å; Y59-R68 PolarHBondContact O-NH1 3.07Å; Y59-L71 HydrophobicContact CD2-CB 4.08Å; Y59-Q72 HydrophobicContact CD2-CB 4.34Å; Y59-Q72 HydrophobicContact CE2-CB 3.93Å; Y59-I75 HydrophobicContact CD1-CD1 3.98Å; Y59-I75 HydrophobicContact CD2-CD1 4.26Å; Y59-I75 HydrophobicContact CG-CD1 3.7Å
60S98Very high97.9Very high51 Ų5193.2 Ų93.236%0.35744%0.444SS..Hα-helixtrans-64.7-39.9-179.278.60000111.3Y56 E57 R58Y56-S60 PolarHBondContact O-N 2.68Å; E57-S60 PolarHBondContact O-OG 3.45Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 2.87Å
61R97.6Very high98Very high185 Ų18588.1 Ų88.170%0.69842%0.42SS*.Hα-helixtrans-84.4-18.6-179.3-61.9164.4-167.5-96.2-1.6113.8E57 R58 Y59 S63E57-R61 WeakPolarHBondContact O-CD 3.5Å; E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 3.12Å; E57-R61 IonicContact OE2-CZ 3.18Å; E57-R61 IonicContact OE2-NE 2.85Å; E57-R61 PolarHBondContact OE2-NE 2.89Å; E57-R61 IonicContact OE2-NH2 2.67Å; E57-R61 PolarHBondContact OE2-NH2 2.88Å; R58-R61 PolarHBondContact O-N 2.96Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 2.86Å; R61-S63 PolarHBondContact O-N 3.22Å
62E98.3Very high98.1Very high54 Ų5487.3 Ų87.325%0.25242%0.417SS..  trans-68.2127.5-177.1-173.655.4-92.800112.5R58 Y59 D64 Q67 R68 L71R58-E62 WeakPolarHBondContact O-CB 3.37Å; R58-E62 PolarHBondContact O-N 3.43Å; Y59-E62 PolarHBondContact O-N 3.43Å; E62-D64 PolarHBondContact OE1-N 2.97Å; E62-Q67 HydrophobicContact CG-CB 4Å; E62-Q67 HydrophobicContact CG-CG 4.11Å; E62-Q67 WeakPolarHBondContact OE2-CG 3.49Å; E62-R68 HydrophobicContact CB-CB 4.37Å; E62-R68 HydrophobicContact CG-CB 3.94Å; E62-R68 PolarHBondContact O-NH1 2.85Å; E62-L71 HydrophobicContact CB-CD1 3.87Å; E62-L71 HydrophobicContact CG-CD1 4.04Å
63S97.8Very high98.1Very high109 Ų10989.4 Ų89.476%0.76243%0.428SS*.  trans-103.5-28-176.7-59.40000112.6R61 P65R61-S63 PolarHBondContact O-N 3.22Å; S63-P65 WeakPolarHBondContact O-CD 3.35Å
64D98.3Very high98.1Very high72 Ų7286 Ų8639%0.38542%0.415SS..  trans-74.6123.9177.3173.759000111.2E62 L66 Q67 R68E62-D64 PolarHBondContact OE1-N 2.97Å; D64-L66 VanDerWaalsContact C-N 3.3Å; D64-L66 PolarHBondContact O-N 3.36Å; D64-L66 WeakPolarHBondContact OD2-CB 3.39Å; D64-L66 PolarHBondContact OD2-N 3.03Å; D64-Q67 HydrophobicContact CB-CB 4.1Å; D64-Q67 PolarHBondContact O-N 2.98Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.38Å; D64-Q67 PolarHBondContact OD2-N 3.31Å; D64-R68 WeakPolarHBondContact O-CB 3.2Å; D64-R68 PolarHBondContact O-N 3.26Å
65P97.5Very high98.1Very high99 Ų9982.9 Ų82.964%0.64340%0.397SS*.Hα-helixtrans-60.1-33.8-177.8-26.235.5000114.6S63 H69S63-P65 WeakPolarHBondContact O-CD 3.35Å; P65-H69 WeakPolarHBondContact O-CB 3.35Å; P65-H69 PolarHBondContact O-N 3Å
66L97.8Very high98.1Very high128 Ų12887.1 Ų87.167%0.6742%0.417SS*.Hα-helixtrans-74.9-44.3-177.7-62.8173.3000111D64 H69 R70D64-L66 VanDerWaalsContact C-N 3.3Å; D64-L66 PolarHBondContact O-N 3.36Å; D64-L66 WeakPolarHBondContact OD2-CB 3.39Å; D64-L66 PolarHBondContact OD2-N 3.03Å; L66-H69 PolarHBondContact O-N 3.41Å; L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 2.94Å
67Q97.8Very high98.1Very high67 Ų6789.6 Ų89.631%0.31343%0.425SS..Hα-helixtrans-68.5-37.7175.9-167.862.98.100111.4E62 D64 H69 R70 L71E62-Q67 HydrophobicContact CG-CB 4Å; E62-Q67 HydrophobicContact CG-CG 4.11Å; E62-Q67 WeakPolarHBondContact OE2-CG 3.49Å; D64-Q67 HydrophobicContact CB-CB 4.1Å; D64-Q67 PolarHBondContact O-N 2.98Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.38Å; D64-Q67 PolarHBondContact OD2-N 3.31Å; Q67-H69 PolarHBondContact O-N 3.38Å; Q67-R70 WeakPolarHBondContact O-CB 3.34Å; Q67-R70 PolarHBondContact O-N 3.2Å; Q67-R70 VanDerWaalsContact OE1-CD 3.28Å; Q67-R70 VanDerWaalsContact OE1-NH1 3.16Å; Q67-L71 WeakPolarHBondContact O-CG 3.48Å; Q67-L71 PolarHBondContact O-N 3.31Å
68R98Very high98Very high82 Ų8286.5 Ų86.531%0.30941%0.413SS..Hα-helixtrans-60.1-43172.1-170.6173.3-174.798.99.7112Y59 E62 D64 L71 Q72Y59-R68 HydrophobicContact CD2-CG 3.73Å; Y59-R68 WeakPolarHBondContact CD2-O 3.03Å; Y59-R68 HydrophobicContact CE2-CG 3.37Å; Y59-R68 PolarHBondContact O-NH1 3.07Å; E62-R68 HydrophobicContact CB-CB 4.37Å; E62-R68 HydrophobicContact CG-CB 3.94Å; E62-R68 PolarHBondContact O-NH1 2.85Å; D64-R68 WeakPolarHBondContact O-CB 3.2Å; D64-R68 PolarHBondContact O-N 3.26Å; R68-L71 PolarHBondContact O-N 3Å; R68-Q72 WeakPolarHBondContact O-CB 3.08Å; R68-Q72 PolarHBondContact O-N 3.29Å
69H98.2Very high98Very high107 Ų10784.3 Ų84.350%0.49541%0.411SS..Hα-helixtrans-64.3-39173.6-176.4-79.6000112.5P65 L66 Q67 Q72 L73P65-H69 WeakPolarHBondContact O-CB 3.35Å; P65-H69 PolarHBondContact O-N 3Å; L66-H69 PolarHBondContact O-N 3.41Å; Q67-H69 PolarHBondContact O-N 3.38Å; H69-Q72 WeakPolarHBondContact O-CB 3.46Å; H69-Q72 PolarHBondContact O-N 2.81Å; H69-L73 WeakPolarHBondContact O-CG 3.36Å; H69-L73 PolarHBondContact O-N 2.94Å; H69-L73 VanDerWaalsContact O-N 3.1Å
70R98.3Very high98Very high167 Ų16786.3 Ų86.363%0.6342%0.424SS*.Hα-helixtrans-62.7-43.7174.4-73167.7170.8177-2.6112.3L66 Q67 Q72 L73 A74L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 2.94Å; Q67-R70 WeakPolarHBondContact O-CB 3.34Å; Q67-R70 PolarHBondContact O-N 3.2Å; Q67-R70 VanDerWaalsContact OE1-CD 3.28Å; Q67-R70 VanDerWaalsContact OE1-NH1 3.16Å; R70-Q72 VanDerWaalsContact C-N 3.35Å; R70-L73 PolarHBondContact O-N 3.42Å; R70-A74 PolarHBondContact O-N 3.2Å; R70-A74 VanDerWaalsContact O-N 3.07Å
71L98.3Very high97.9Very high16 Ų1689.7 Ų89.78%0.08443%0.429CS..Hα-helixtrans-65.7-37.6176.1-69.1167.3000111.5V55 R58 Y59 E62 Q67 R68 L73 A74 I75V55-L71 HydrophobicContact CG1-CD2 4.13Å; R58-L71 HydrophobicContact CB-CD1 4.21Å; R58-L71 HydrophobicContact CB-CD2 4.31Å; Y59-L71 HydrophobicContact CD2-CB 4.08Å; E62-L71 HydrophobicContact CB-CD1 3.87Å; E62-L71 HydrophobicContact CG-CD1 4.04Å; Q67-L71 WeakPolarHBondContact O-CG 3.48Å; Q67-L71 PolarHBondContact O-N 3.31Å; R68-L71 PolarHBondContact O-N 3Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.38Å; L71-A74 WeakPolarHBondContact O-CB 3.42Å; L71-A74 PolarHBondContact O-N 3.48Å; L71-A74 VanDerWaalsContact O-N 3.09Å; L71-I75 WeakPolarHBondContact O-CG1 3.36Å; L71-I75 PolarHBondContact O-N 2.99Å
72Q98.1Very high97.9Very high82 Ų8281.4 Ų81.438%0.38340%0.399SS..Hα-helixtrans-59.5-41172.9-173.1179.3-7.500112.5Y59 R68 H69 R70 A74 I75 Q76Y59-Q72 HydrophobicContact CD2-CB 4.34Å; Y59-Q72 HydrophobicContact CE2-CB 3.93Å; R68-Q72 WeakPolarHBondContact O-CB 3.08Å; R68-Q72 PolarHBondContact O-N 3.29Å; H69-Q72 WeakPolarHBondContact O-CB 3.46Å; H69-Q72 PolarHBondContact O-N 2.81Å; R70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-A74 VanDerWaalsContact C-N 3.34Å; Q72-I75 PolarHBondContact O-N 3.11Å; Q72-Q76 WeakPolarHBondContact O-CG 3.42Å; Q72-Q76 PolarHBondContact O-N 2.93Å
73L98.1Very high97.9Very high65 Ų6584.8 Ų84.834%0.3442%0.415SS..Hα-helixtrans-67-33.9173.6-67.9174.6000112.5H69 R70 L71 Q76 R77H69-L73 WeakPolarHBondContact O-CG 3.36Å; H69-L73 PolarHBondContact O-N 2.94Å; H69-L73 VanDerWaalsContact O-N 3.1Å; R70-L73 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.38Å; L73-Q76 PolarHBondContact O-N 2.85Å; L73-R77 WeakPolarHBondContact O-CG 3.41Å; L73-R77 PolarHBondContact O-N 3.01Å; L73-R77 VanDerWaalsContact O-N 3.14Å
74A98.1Very high97.9Very high35 Ų3584.8 Ų84.829%0.28940%0.403SS..Hα-helixtrans-66.8-44.5174.100000111.6V55 R70 L71 Q72 Q76 R77 A78V55-A74 HydrophobicContact CG1-CB 3.84Å; R70-A74 PolarHBondContact O-N 3.2Å; R70-A74 VanDerWaalsContact O-N 3.07Å; L71-A74 WeakPolarHBondContact O-CB 3.42Å; L71-A74 PolarHBondContact O-N 3.48Å; L71-A74 VanDerWaalsContact O-N 3.09Å; Q72-A74 VanDerWaalsContact C-N 3.34Å; A74-Q76 VanDerWaalsContact C-N 3.32Å; A74-Q76 PolarHBondContact O-N 3.27Å; A74-R77 PolarHBondContact O-N 3.08Å; A74-R77 VanDerWaalsContact O-N 3.17Å; A74-A78 PolarHBondContact O-N 2.9Å
75I98.4Very high97.9Very high22 Ų2282.2 Ų82.211%0.11339%0.389CS..Hα-helixtrans-55.9-46.6172.6-68.2168.8000110.7L52 V55 Y56 Y59 L71 Q72 R77 A78 L79L52-I75 HydrophobicContact CD1-CB 4.49Å; L52-I75 HydrophobicContact CD1-CG2 3.98Å; V55-I75 HydrophobicContact CB-CG1 4.31Å; V55-I75 HydrophobicContact CG1-CD1 4.42Å; V55-I75 HydrophobicContact CG1-CG1 3.61Å; Y56-I75 HydrophobicContact CD2-CD1 4.25Å; Y59-I75 HydrophobicContact CD1-CD1 3.98Å; Y59-I75 HydrophobicContact CD2-CD1 4.26Å; Y59-I75 HydrophobicContact CG-CD1 3.7Å; L71-I75 WeakPolarHBondContact O-CG1 3.36Å; L71-I75 PolarHBondContact O-N 2.99Å; Q72-I75 PolarHBondContact O-N 3.11Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.34Å; I75-A78 PolarHBondContact O-N 3.49Å; I75-L79 HydrophobicContact CG2-CD1 3.78Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.38Å
76Q98.3Very high97.9Very high96 Ų9678.3 Ų78.345%0.44937%0.367SS..Hα-helixtrans-59.5-41.3178-75.4176.6-11.700112.6Q72 L73 A74 I80Q72-Q76 WeakPolarHBondContact O-CG 3.42Å; Q72-Q76 PolarHBondContact O-N 2.93Å; L73-Q76 PolarHBondContact O-N 2.85Å; A74-Q76 VanDerWaalsContact C-N 3.32Å; A74-Q76 PolarHBondContact O-N 3.27Å; Q76-I80 WeakPolarHBondContact O-CD1 3.33Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 3.24Å; Q76-I80 PolarHBondContact O-N 3.39Å; Q76-I80 VanDerWaalsContact O-N 3.1Å
77R97.6Very high97.9Very high180 Ų18076.2 Ų76.268%0.67936%0.356SS*.Hα-helixtrans-68.2-43.2176.8-68.8169.1-173.9172.20.5112.3L73 A74 I75 L79 I80 R81L73-R77 WeakPolarHBondContact O-CG 3.41Å; L73-R77 PolarHBondContact O-N 3.01Å; L73-R77 VanDerWaalsContact O-N 3.14Å; A74-R77 PolarHBondContact O-N 3.08Å; A74-R77 VanDerWaalsContact O-N 3.17Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.34Å; R77-L79 VanDerWaalsContact C-N 3.34Å; R77-L79 PolarHBondContact O-N 3.45Å; R77-I80 PolarHBondContact O-N 3.28Å; R77-R81 WeakPolarHBondContact O-CB 3.22Å; R77-R81 PolarHBondContact O-N 3.29Å
78A97.1Very high98Very high13 Ų1377.6 Ų77.611%0.10736%0.363CS..Hα-helixtrans-63.5-39.2177.400000111.8L52 A74 I75 S82L52-A78 HydrophobicContact CB-CB 4.22Å; L52-A78 HydrophobicContact CD1-CB 3.95Å; A74-A78 PolarHBondContact O-N 2.9Å; I75-A78 PolarHBondContact O-N 3.49Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.27Å; A78-S82 PolarHBondContact O-N 3.28Å; A78-S82 PolarHBondContact O-OG 2.64Å
79L98.1Very high98Very high91 Ų9175.9 Ų75.948%0.47636%0.358SS..Hα-helixtrans-63.3-44.4173.3-74.9169.4000112.6L52 I75 R77 S82 Q83L52-L79 HydrophobicContact CD1-CD2 4.25Å; L52-L79 HydrophobicContact CD1-CG 4.04Å; L52-L79 HydrophobicContact CD2-CD2 3.67Å; L52-L79 HydrophobicContact CD2-CG 4.3Å; I75-L79 HydrophobicContact CG2-CD1 3.78Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.38Å; R77-L79 VanDerWaalsContact C-N 3.34Å; R77-L79 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-N 3.23Å; L79-Q83 PolarHBondContact O-N 3.39Å
80I97.8Very high98Very high92 Ų9276.3 Ų76.347%0.47236%0.363SS..Hα-helixtrans-61.4-50.1176.6-68.9162.8000110.2Q76 R77 S82 Q83 E84Q76-I80 WeakPolarHBondContact O-CD1 3.33Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 3.24Å; Q76-I80 PolarHBondContact O-N 3.39Å; Q76-I80 VanDerWaalsContact O-N 3.1Å; R77-I80 PolarHBondContact O-N 3.28Å; I80-S82 VanDerWaalsContact C-N 3.29Å; I80-S82 PolarHBondContact O-N 2.84Å; I80-Q83 WeakPolarHBondContact O-CA 3.46Å; I80-Q83 WeakPolarHBondContact O-CB 3.36Å; I80-Q83 PolarHBondContact O-N 2.97Å; I80-E84 HydrophobicContact CG2-CG 4.49Å; I80-E84 WeakPolarHBondContact O-CG 3.37Å; I80-E84 PolarHBondContact O-N 3.05Å
81R96.9Very high98Very high122 Ų12274.2 Ų74.246%0.4636%0.36SS..Hα-helixtrans-59.6-39.1177.4-174.2-178.3179.7-157.3-2.2112.6E51 R77 Q83 E84 L85E51-R81 IonicContact OE2-NH1 3.75Å; R77-R81 WeakPolarHBondContact O-CB 3.22Å; R77-R81 PolarHBondContact O-N 3.29Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; R81-E84 PolarHBondContact O-N 2.92Å; R81-L85 HydrophobicContact CG-CD1 4.4Å; R81-L85 WeakPolarHBondContact O-CG 3.46Å; R81-L85 PolarHBondContact O-N 2.93Å; R81-L85 VanDerWaalsContact O-N 3.1Å
82S97.8Very high98Very high10 Ų1073.8 Ų73.87%0.0736%0.357CS..Hα-helixtrans-65.8-37.4175.6-58.40000111.6Y45 A78 L79 I80 G86Y45-S82 VanDerWaalsContact CE2-O 3.28Å; Y45-S82 WeakPolarHBondContact CE2-O 3.21Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.27Å; A78-S82 PolarHBondContact O-N 3.28Å; A78-S82 PolarHBondContact O-OG 2.64Å; L79-S82 PolarHBondContact O-N 3.23Å; I80-S82 VanDerWaalsContact C-N 3.29Å; I80-S82 PolarHBondContact O-N 2.84Å; S82-G86 PolarHBondContact O-N 3.03Å
83Q98.3Very high98Very high125 Ų12571.9 Ų71.958%0.58436%0.356SS*.Hα-helixtrans-65.3-46.9174.1-174.2-175.6-21.600111.3L79 I80 R81 L85 G86 D87L79-Q83 PolarHBondContact O-N 3.39Å; I80-Q83 WeakPolarHBondContact O-CA 3.46Å; I80-Q83 WeakPolarHBondContact O-CB 3.36Å; I80-Q83 PolarHBondContact O-N 2.97Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.85Å; Q83-G86 CarbonylContact O-C 3.51Å; Q83-G86 WeakPolarHBondContact O-CA 3.41Å; Q83-G86 PolarHBondContact O-N 3.15Å; Q83-D87 PolarHBondContact O-N 2.98Å
84E97.8Very high98Very high109 Ų10970.2 Ų70.251%0.50936%0.355SS..Hα-helixtrans-56.3-48.4178.8-69.6166.2162.100111.4I80 R81 G86 D87 E88I80-E84 HydrophobicContact CG2-CG 4.49Å; I80-E84 WeakPolarHBondContact O-CG 3.37Å; I80-E84 PolarHBondContact O-N 3.05Å; R81-E84 PolarHBondContact O-N 2.92Å; E84-G86 VanDerWaalsContact C-N 3.29Å; E84-G86 PolarHBondContact O-N 2.89Å; E84-D87 PolarHBondContact O-N 3.32Å; E84-E88 PolarHBondContact O-N 3.5Å
85L97.8Very high98Very high19 Ų1972.6 Ų72.610%0.09936%0.36CS..Hα-helixtrans-61.9-34.6173.9-67.7168.4000112.8I41 T44 Y45 R81 Q83 K89I41-L85 HydrophobicContact CG2-CB 4.3Å; I41-L85 HydrophobicContact CG2-CD2 4.01Å; T44-L85 HydrophobicContact CG2-CD1 4.06Å; T44-L85 HydrophobicContact CG2-CD2 4.08Å; Y45-L85 HydrophobicContact CD2-CB 3.98Å; R81-L85 HydrophobicContact CG-CD1 4.4Å; R81-L85 WeakPolarHBondContact O-CG 3.46Å; R81-L85 PolarHBondContact O-N 2.93Å; R81-L85 VanDerWaalsContact O-N 3.1Å; Q83-L85 PolarHBondContact O-N 2.85Å; L85-K89 WeakPolarHBondContact O-CG 3.35Å; L85-K89 PolarHBondContact O-N 2.87Å
86G97.8Very high97.9Very high17 Ų1773.6 Ų73.618%0.17537%0.365CS..Hα-helixtrans-67-41.2174.600000113S82 Q83 E84 K89 I90S82-G86 PolarHBondContact O-N 3.03Å; Q83-G86 CarbonylContact O-C 3.51Å; Q83-G86 WeakPolarHBondContact O-CA 3.41Å; Q83-G86 PolarHBondContact O-N 3.15Å; E84-G86 VanDerWaalsContact C-N 3.29Å; E84-G86 PolarHBondContact O-N 2.89Å; G86-K89 WeakPolarHBondContact O-CB 3.5Å; G86-K89 PolarHBondContact O-N 3.07Å; G86-I90 WeakPolarHBondContact O-CG1 3.43Å; G86-I90 PolarHBondContact O-N 3.45Å
87D98.4Very high97.9Very high83 Ų8372.7 Ų72.744%0.44437%0.365SS..Hα-helixtrans-67.6-39.4176.6-70-25.1000110.7Q83 E84 I90 Q91Q83-D87 PolarHBondContact O-N 2.98Å; E84-D87 PolarHBondContact O-N 3.32Å; D87-I90 PolarHBondContact O-N 2.83Å; D87-Q91 PolarHBondContact O-N 3.1Å
88E98.3Very high97.9Very high97 Ų9770.4 Ų70.445%0.45336%0.362SS..Hα-helixtrans-61.2-43.1172.1-73.4179.1-145.500112.4I41 E84 I90 Q91 I92I41-E88 HydrophobicContact CD1-CB 3.93Å; E84-E88 PolarHBondContact O-N 3.5Å; E88-I90 PolarHBondContact O-N 3.34Å; E88-Q91 WeakPolarHBondContact O-CB 3.45Å; E88-Q91 PolarHBondContact O-N 2.95Å; E88-I92 WeakPolarHBondContact O-CG1 3.45Å; E88-I92 PolarHBondContact O-N 3.44Å
89K97.9Very high97.9Very high45 Ų4572.9 Ų72.920%0.19637%0.374CS..Hα-helixtrans-59.5-44.8172.7-75.7175.650.7154.70112.2M38 I41 D42 L85 G86 Q91 I92 A93M38-K89 WeakPolarHBondContact CE-O 3.49Å; M38-K89 HydrophobicContact SD-CB 3.84Å; M38-K89 HydrophobicContact SD-CG 3.83Å; I41-K89 HydrophobicContact CB-CG 4.21Å; I41-K89 HydrophobicContact CG2-CD 4.24Å; I41-K89 HydrophobicContact CG2-CG 3.65Å; D42-K89 VanDerWaalsContact OD1-CD 3.23Å; D42-K89 WeakPolarHBondContact OD1-CD 3.1Å; D42-K89 WeakPolarHBondContact OD1-CE 3.24Å; D42-K89 IonicContact OD1-NZ 2.74Å; D42-K89 PolarHBondContact OD1-NZ 2.98Å; D42-K89 IonicContact OD2-NZ 2.79Å; D42-K89 PolarHBondContact OD2-NZ 2.98Å; L85-K89 WeakPolarHBondContact O-CG 3.35Å; L85-K89 PolarHBondContact O-N 2.87Å; G86-K89 WeakPolarHBondContact O-CB 3.5Å; G86-K89 PolarHBondContact O-N 3.07Å; K89-Q91 VanDerWaalsContact C-N 3.27Å; K89-Q91 PolarHBondContact O-N 3.16Å; K89-I92 PolarHBondContact O-N 3.25Å; K89-A93 WeakPolarHBondContact O-CB 3.17Å; K89-A93 PolarHBondContact O-N 3.39Å
90I98.3Very high97.8Very high117 Ų11771.8 Ų71.860%0.637%0.37SS*.Hα-helixtrans-61.2-39.8177-69.4165.5000110.3G86 D87 E88 A93 G94G86-I90 WeakPolarHBondContact O-CG1 3.43Å; G86-I90 PolarHBondContact O-N 3.45Å; D87-I90 PolarHBondContact O-N 2.83Å; E88-I90 PolarHBondContact O-N 3.34Å; I90-A93 PolarHBondContact O-N 3.1Å; I90-G94 PolarHBondContact O-N 3.3Å
91Q98.4Very high97.7Very high122 Ų12273 Ų7357%0.5737%0.374SS*.Hα-helixtrans-62.2-46.3176.3-169.7-175.5-61.700112.3D87 E88 K89 A93 G94 Q95D87-Q91 PolarHBondContact O-N 3.1Å; E88-Q91 WeakPolarHBondContact O-CB 3.45Å; E88-Q91 PolarHBondContact O-N 2.95Å; K89-Q91 VanDerWaalsContact C-N 3.27Å; K89-Q91 PolarHBondContact O-N 3.16Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 3.01Å; Q91-G94 PolarHBondContact O-N 2.97Å; Q91-Q95 WeakPolarHBondContact O-CG 3.4Å; Q91-Q95 PolarHBondContact O-N 3.09Å
92I98.2Very high97.6Very high7 Ų770.2 Ų70.24%0.03637%0.368CS..Hα-helixtrans-64.1-41.6177.6-61.7165.8000110.7S34 L37 M38 I41 E88 K89 G94 Q95 M96S34-I92 WeakPolarHBondContact O-CG2 3.49Å; L37-I92 HydrophobicContact CB-CD1 4.32Å; L37-I92 HydrophobicContact CD2-CD1 3.66Å; L37-I92 HydrophobicContact CD2-CG1 4.11Å; L37-I92 HydrophobicContact CG-CD1 3.65Å; M38-I92 HydrophobicContact CB-CG2 4.34Å; M38-I92 HydrophobicContact CE-CB 3.78Å; M38-I92 HydrophobicContact CE-CG2 3.77Å; M38-I92 HydrophobicContact SD-CB 4.49Å; I41-I92 HydrophobicContact CD1-CD1 3.53Å; I41-I92 HydrophobicContact CG1-CD1 4.38Å; E88-I92 WeakPolarHBondContact O-CG1 3.45Å; E88-I92 PolarHBondContact O-N 3.44Å; K89-I92 PolarHBondContact O-N 3.25Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 3.41Å; I92-Q95 PolarHBondContact O-N 2.63Å; I92-M96 HydrophobicContact CG2-SD 4.28Å; I92-M96 WeakPolarHBondContact O-CG 3.36Å; I92-M96 PolarHBondContact O-N 2.87Å
93A98.4Very high97.4Very high43 Ų4370.5 Ų70.536%0.35537%0.37SS..Hα-helixtrans-61.6-41.6176.300000111.5M38 K89 I90 Q91 M96 V97M38-A93 HydrophobicContact CE-CB 3.83Å; K89-A93 WeakPolarHBondContact O-CB 3.17Å; K89-A93 PolarHBondContact O-N 3.39Å; I90-A93 PolarHBondContact O-N 3.1Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 3.01Å; A93-M96 PolarHBondContact O-N 3.12Å; A93-V97 WeakPolarHBondContact O-CG2 3.36Å; A93-V97 PolarHBondContact O-N 3.05Å; A93-V97 VanDerWaalsContact O-N 3.08Å
94G98.3Very high97.1Very high30 Ų3067.5 Ų67.531%0.30936%0.363SS..Hα-helixtrans-59.5-49.8172.900000112.2I90 Q91 I92 M96 V97 E98I90-G94 PolarHBondContact O-N 3.3Å; Q91-G94 PolarHBondContact O-N 2.97Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 3.41Å; G94-M96 VanDerWaalsContact C-N 3.31Å; G94-M96 PolarHBondContact O-N 2.82Å; G94-V97 PolarHBondContact O-N 3.07Å; G94-V97 VanDerWaalsContact O-N 3.11Å; G94-E98 WeakPolarHBondContact O-CG 3.28Å; G94-E98 PolarHBondContact O-N 3.32Å
95Q97.7Very high96.9Very high84 Ų8470.1 Ų70.139%0.39337%0.368SS..Hα-helixtrans-58.4-40176.7-71.7174.4-7.900112.5Q91 I92 E98 L99Q91-Q95 WeakPolarHBondContact O-CG 3.4Å; Q91-Q95 PolarHBondContact O-N 3.09Å; I92-Q95 PolarHBondContact O-N 2.63Å; Q95-E98 PolarHBondContact O-N 3.38Å; Q95-L99 WeakPolarHBondContact O-CB 3.38Å; Q95-L99 VanDerWaalsContact O-CG 3.27Å; Q95-L99 WeakPolarHBondContact O-CG 3.45Å; Q95-L99 PolarHBondContact O-N 3.43Å
96M97.9Very high96.6Very high44 Ų4472.5 Ų72.522%0.21738%0.379CS..Hα-helixtrans-63.7-40.7175-73.3175.557.800112.6L31 V35 I92 A93 G94 V100L31-M96 HydrophobicContact CD2-CB 4.12Å; L31-M96 HydrophobicContact CD2-CE 4.2Å; L31-M96 HydrophobicContact CD2-CG 4.17Å; V35-M96 HydrophobicContact CG2-CE 3.46Å; V35-M96 VanDerWaalsContact CG2-CE 3.46Å; V35-M96 HydrophobicContact CG2-SD 4.07Å; I92-M96 HydrophobicContact CG2-SD 4.28Å; I92-M96 WeakPolarHBondContact O-CG 3.36Å; I92-M96 PolarHBondContact O-N 2.87Å; A93-M96 PolarHBondContact O-N 3.12Å; G94-M96 VanDerWaalsContact C-N 3.31Å; G94-M96 PolarHBondContact O-N 2.82Å; M96-V100 WeakPolarHBondContact O-CG2 3.13Å; M96-V100 PolarHBondContact O-N 2.98Å
97V98.3Very high96.2Very high77 Ų7773.2 Ų73.247%0.46738%0.38SS..Hα-helixtrans-65.7-48.2175.3171.30000110.3A93 G94 L99 V100 E101A93-V97 WeakPolarHBondContact O-CG2 3.36Å; A93-V97 PolarHBondContact O-N 3.05Å; A93-V97 VanDerWaalsContact O-N 3.08Å; G94-V97 PolarHBondContact O-N 3.07Å; G94-V97 VanDerWaalsContact O-N 3.11Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.47Å; V97-V100 PolarHBondContact O-N 3.35Å; V97-V100 VanDerWaalsContact O-N 3.15Å; V97-E101 HydrophobicContact CG1-CG 4.06Å; V97-E101 WeakPolarHBondContact O-CB 3.15Å; V97-E101 WeakPolarHBondContact O-CG 3.42Å; V97-E101 PolarHBondContact O-N 3.23Å
98E97.3Very high95.8Very high131 Ų13173.4 Ų73.461%0.61238%0.38SS*.Hα-helixtrans-58.6-39.7178.4-72.7177.1-177.100112.5G94 Q95 N102G94-E98 WeakPolarHBondContact O-CG 3.28Å; G94-E98 PolarHBondContact O-N 3.32Å; Q95-E98 PolarHBondContact O-N 3.38Å; E98-N102 WeakPolarHBondContact O-CB 3.29Å; E98-N102 PolarHBondContact O-N 3.28Å
99L95.8Very high95.4Very high66 Ų6676 Ų7635%0.34639%0.386SS..Hα-helixtrans-60.7-47.2174.6-77.1169.2000112L27 D30 Q95 V97 C103L27-L99 HydrophobicContact CD1-CB 4.3Å; D30-L99 HydrophobicContact CB-CD1 4.43Å; Q95-L99 WeakPolarHBondContact O-CB 3.38Å; Q95-L99 VanDerWaalsContact O-CG 3.27Å; Q95-L99 WeakPolarHBondContact O-CG 3.45Å; Q95-L99 PolarHBondContact O-N 3.43Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.47Å; L99-C103 WeakPolarHBondContact O-CB 3.08Å; L99-C103 PolarHBondContact O-N 3.39Å
100V96.4Very high94.8Very high68 Ų6874.6 Ų74.641%0.41238%0.38SS..Hα-helixtrans-68.6-44.6179.8174.30000111.4L27 L31 M96 V97 N102 C103 S104L27-V100 HydrophobicContact CD1-CG2 4.34Å; L31-V100 HydrophobicContact CD1-CG2 4Å; L31-V100 HydrophobicContact CD2-CG2 4.03Å; M96-V100 WeakPolarHBondContact O-CG2 3.13Å; M96-V100 PolarHBondContact O-N 2.98Å; V97-V100 PolarHBondContact O-N 3.35Å; V97-V100 VanDerWaalsContact O-N 3.15Å; V100-N102 PolarHBondContact O-N 3.48Å; V100-C103 PolarHBondContact O-N 3.12Å; V100-S104 PolarHBondContact O-N 3.28Å
101E96.4Very high94.2Very high117 Ų11770.9 Ų70.955%0.54737%0.365SS..Hα-helixtrans-64.2-39.6177.7-72.6-175.3169.400111.9V97 R105V97-E101 HydrophobicContact CG1-CG 4.06Å; V97-E101 WeakPolarHBondContact O-CB 3.15Å; V97-E101 WeakPolarHBondContact O-CG 3.42Å; V97-E101 PolarHBondContact O-N 3.23Å; E101-R105 WeakPolarHBondContact O-CB 3.38Å; E101-R105 VanDerWaalsContact O-CG 3.28Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 2.92Å
102N94Very high93.7Very high64 Ų6470.5 Ų70.534%0.34237%0.367SS..Hα-helixtrans-66.8-42.6174.9-176.573.7000111.7E98 V100 R105 Q106E98-N102 WeakPolarHBondContact O-CB 3.29Å; E98-N102 PolarHBondContact O-N 3.28Å; V100-N102 PolarHBondContact O-N 3.48Å; N102-R105 PolarHBondContact O-N 3.28Å; N102-R105 PolarHBondContact OD1-NH1 3.46Å; N102-Q106 PolarHBondContact ND2-NE2 2.61Å; N102-Q106 WeakPolarHBondContact O-CG 3.38Å; N102-Q106 PolarHBondContact O-N 3.16Å
103C93.6Very high93.1Very high15 Ų1573.9 Ų73.910%0.10138%0.384CS..Hα-helixtrans-60.5-46.1174.6-174.50000111.7L27 L99 V100 Q106 V107L27-C103 HydrophobicContact CD2-CB 4.11Å; L99-C103 WeakPolarHBondContact O-CB 3.08Å; L99-C103 PolarHBondContact O-N 3.39Å; V100-C103 PolarHBondContact O-N 3.12Å; C103-Q106 PolarHBondContact O-N 3.08Å; C103-V107 WeakPolarHBondContact O-CG2 3.46Å; C103-V107 PolarHBondContact O-N 2.66Å
104S93.6Very high92.3Very high62 Ų6273.4 Ų73.443%0.43438%0.376SS..Hα-helixtrans-57.3-53.6175.7-169.60000110.5V100 Q106 V107 D108V100-S104 PolarHBondContact O-N 3.28Å; S104-Q106 PolarHBondContact O-N 3.12Å; S104-V107 PolarHBondContact O-N 3.08Å; S104-V107 VanDerWaalsContact O-N 3.1Å; S104-D108 WeakPolarHBondContact O-CB 3.23Å; S104-D108 PolarHBondContact O-N 3.35Å; S104-D108 PolarHBondContact OG-OD2 3.49Å; S104-D108 VanDerWaalsContact OG-OD2 3.12Å
105R93.6Very high91.6Very high164 Ų16477.4 Ų77.462%0.61939%0.386SS*.Hα-helixtrans-58.2-33-179.6-76.9173.554.3-107.3-13.6113.6E101 N102 W109E101-R105 WeakPolarHBondContact O-CB 3.38Å; E101-R105 VanDerWaalsContact O-CG 3.28Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 2.92Å; N102-R105 PolarHBondContact O-N 3.28Å; N102-R105 PolarHBondContact OD1-NH1 3.46Å; R105-W109 VanDerWaalsContact O-CB 3.28Å; R105-W109 WeakPolarHBondContact O-CB 3.35Å; R105-W109 PolarHBondContact O-N 3.49Å; R105-W109 VanDerWaalsContact O-N 3.1Å
106Q90.3Very high90.9Very high69 Ų6976.2 Ų76.232%0.32239%0.391SS..Hα-helixtrans-69-55.6173.6-74.8175.5-5.800110L23 N102 C103 S104 D108 W109 H110L23-Q106 HydrophobicContact CD1-CB 3.89Å; N102-Q106 PolarHBondContact ND2-NE2 2.61Å; N102-Q106 WeakPolarHBondContact O-CG 3.38Å; N102-Q106 PolarHBondContact O-N 3.16Å; C103-Q106 PolarHBondContact O-N 3.08Å; S104-Q106 PolarHBondContact O-N 3.12Å; Q106-D108 VanDerWaalsContact C-N 3.28Å; Q106-D108 PolarHBondContact O-N 3.31Å; Q106-W109 WeakPolarHBondContact O-CA 3.35Å; Q106-W109 WeakPolarHBondContact O-CB 3.25Å; Q106-W109 PolarHBondContact O-N 3.46Å; Q106-H110 VanDerWaalsContact C-CD2 3.45Å; Q106-H110 PolarHBondContact O-CD2 2.71Å; Q106-H110 PolarHBondContact O-N 2.94Å
107V89.6Confident89.8Confident33 Ų3376.4 Ų76.420%0.240%0.396CS..Hα-helixtrans-54-43.8178.3174.80000112Y20 L23 C103 S104 H110 S111Y20-V107 HydrophobicContact CD2-CG1 4.12Å; Y20-V107 HydrophobicContact CD2-CG2 4.02Å; Y20-V107 HydrophobicContact CE2-CG1 4.15Å; Y20-V107 HydrophobicContact CE2-CG2 4.35Å; L23-V107 HydrophobicContact CD1-CG2 4.22Å; C103-V107 WeakPolarHBondContact O-CG2 3.46Å; C103-V107 PolarHBondContact O-N 2.66Å; S104-V107 PolarHBondContact O-N 3.08Å; S104-V107 VanDerWaalsContact O-N 3.1Å; V107-H110 PolarHBondContact O-N 3.12Å; V107-S111 VanDerWaalsContact O-CB 3.29Å; V107-S111 WeakPolarHBondContact O-CB 3.38Å; V107-S111 PolarHBondContact O-N 2.95Å
108D90.8Very high88.5Confident86 Ų8680.7 Ų80.746%0.4641%0.409SS..Hα-helixtrans-60.2-45.6175-64.3-39.8000111.4S104 Q106 S111 D112S104-D108 WeakPolarHBondContact O-CB 3.23Å; S104-D108 PolarHBondContact O-N 3.35Å; S104-D108 PolarHBondContact OG-OD2 3.49Å; S104-D108 VanDerWaalsContact OG-OD2 3.12Å; Q106-D108 VanDerWaalsContact C-N 3.28Å; Q106-D108 PolarHBondContact O-N 3.31Å; D108-S111 WeakPolarHBondContact O-CB 3.41Å; D108-S111 PolarHBondContact O-N 3.47Å; D108-D112 PolarHBondContact O-N 2.97Å
109W88.6Confident86.8Confident152 Ų15282.2 Ų82.258%0.57642%0.416SS*.Hα-helixtrans-63.3-44.1178.2179.580.2000113.3R105 Q106 S111 D112 L113R105-W109 VanDerWaalsContact O-CB 3.28Å; R105-W109 WeakPolarHBondContact O-CB 3.35Å; R105-W109 PolarHBondContact O-N 3.49Å; R105-W109 VanDerWaalsContact O-N 3.1Å; Q106-W109 WeakPolarHBondContact O-CA 3.35Å; Q106-W109 WeakPolarHBondContact O-CB 3.25Å; Q106-W109 PolarHBondContact O-N 3.46Å; W109-S111 VanDerWaalsContact C-N 3.33Å; W109-D112 PolarHBondContact O-N 3.25Å; W109-L113 HydrophobicContact CH2-CD2 3.97Å; W109-L113 HydrophobicContact CZ3-CD2 4.24Å; W109-L113 PolarHBondContact O-N 3.18Å
110H85.3Confident84.9Confident15 Ų1585.1 Ų85.17%0.06943%0.432CS..Hα-helixtrans-70.6-32177.2-54.8-88.1000111.6Y16 E19 Q106 V107 L113 L114Y16-H110 HydrophobicContact CD2-CB 3.3Å; Y16-H110 HydrophobicContact CE2-CB 3.76Å; Y16-H110 HydrophobicContact CG-CB 4.36Å; E19-H110 IonicContact OE1-CE1 2.9Å; E19-H110 IonicContact OE2-CE1 3.94Å; E19-H110 PolarHBondContact OE2-CE1 2.89Å; E19-H110 IonicContact OE2-CG 2.65Å; E19-H110 IonicContact OE2-ND1 2.82Å; E19-H110 PolarHBondContact OE2-ND1 3.42Å; E19-H110 IonicContact OE2-NE2 2.63Å; Q106-H110 VanDerWaalsContact C-CD2 3.45Å; Q106-H110 PolarHBondContact O-CD2 2.71Å; Q106-H110 PolarHBondContact O-N 2.94Å; V107-H110 PolarHBondContact O-N 3.12Å; H110-L113 PolarHBondContact O-N 2.9Å; H110-L114 PolarHBondContact O-N 2.87Å
111S86.8Confident82.8Confident40 Ų4086.6 Ų86.628%0.2844%0.443SS..Hα-helixtrans-61.5-46.9171.7175.30000111.5V107 D108 W109 L113 L114 H115V107-S111 VanDerWaalsContact O-CB 3.29Å; V107-S111 WeakPolarHBondContact O-CB 3.38Å; V107-S111 PolarHBondContact O-N 2.95Å; D108-S111 WeakPolarHBondContact O-CB 3.41Å; D108-S111 PolarHBondContact O-N 3.47Å; W109-S111 VanDerWaalsContact C-N 3.33Å; S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 3.39Å; S111-L114 PolarHBondContact O-N 3.42Å; S111-H115 PolarHBondContact O-CD2 3.31Å; S111-H115 PolarHBondContact O-N 3.1Å
112D87.9Confident80.5Confident114 Ų11488 Ų8861%0.6145%0.454SS*.Hα-helixtrans-60.3-41.2174.8-78.6-13.3000111.9D108 W109 L114 H115 A116D108-D112 PolarHBondContact O-N 2.97Å; W109-D112 PolarHBondContact O-N 3.25Å; D112-L114 PolarHBondContact O-N 2.93Å; D112-H115 PolarHBondContact O-N 3.27Å; D112-A116 WeakPolarHBondContact O-CB 3.28Å; D112-A116 PolarHBondContact O-N 2.82Å
113L84.3Confident78.5Confident77 Ų7790.9 Ų90.940%0.40347%0.474SS..Hα-helixtrans-62.2-41.2176.4-177.663.1000112.1V12 W109 H110 S111 S117V12-L113 HydrophobicContact CG1-CD2 4.3Å; V12-L113 HydrophobicContact CG1-CG 4.17Å; W109-L113 HydrophobicContact CH2-CD2 3.97Å; W109-L113 HydrophobicContact CZ3-CD2 4.24Å; W109-L113 PolarHBondContact O-N 3.18Å; H110-L113 PolarHBondContact O-N 2.9Å; S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 3.39Å; L113-S117 WeakPolarHBondContact O-CB 3.42Å; L113-S117 PolarHBondContact O-N 3.42Å
114L82.3Confident76.2Confident34 Ų3497.7 Ų97.718%0.17850%0.504CS..Hα-helixtrans-67.2-41174.4-78.3-179.4000113V12 V13 Y16 H110 S111 D112 S117 K118V12-L114 HydrophobicContact CG1-CD2 3.94Å; V13-L114 HydrophobicContact CB-CD2 4.42Å; V13-L114 HydrophobicContact CG2-CD2 3.71Å; Y16-L114 HydrophobicContact CD1-CD1 3.17Å; Y16-L114 HydrophobicContact CD1-CG 4.4Å; Y16-L114 HydrophobicContact CD2-CD1 4.13Å; Y16-L114 HydrophobicContact CE1-CD1 3.62Å; Y16-L114 HydrophobicContact CE2-CD1 4.47Å; Y16-L114 HydrophobicContact CG-CD1 3.4Å; Y16-L114 HydrophobicContact CG-CG 4.23Å; H110-L114 PolarHBondContact O-N 2.87Å; S111-L114 PolarHBondContact O-N 3.42Å; D112-L114 PolarHBondContact O-N 2.93Å; L114-S117 PolarHBondContact O-N 3.3Å; L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 2.94Å; L114-K118 VanDerWaalsContact O-N 3.09Å
115H83.4Confident73.7Confident113 Ų113100.6 Ų100.652%0.52352%0.519SS..Hα-helixtrans-60.9-47.7174.6-93.5-86.4000111.1S111 D112 S117 K118 E119S111-H115 PolarHBondContact O-CD2 3.31Å; S111-H115 PolarHBondContact O-N 3.1Å; D112-H115 PolarHBondContact O-N 3.27Å; H115-S117 VanDerWaalsContact C-N 3.32Å; H115-S117 PolarHBondContact O-N 3.19Å; H115-K118 WeakPolarHBondContact O-CA 3.47Å; H115-K118 WeakPolarHBondContact O-CB 3.49Å; H115-K118 PolarHBondContact O-N 2.99Å; H115-E119 PolarHBondContact O-N 3.46Å
116A83.3Confident71.7Confident59 Ų5997.2 Ų97.249%0.48852%0.518SS..Hα-helixtrans-60.8-37.3175.700000112.9D112 K118D112-A116 WeakPolarHBondContact O-CB 3.28Å; D112-A116 PolarHBondContact O-N 2.82Å; A116-K118 PolarHBondContact O-N 2.83Å
117S74.9Confident69.1Low48 Ų4899.8 Ų99.834%0.33654%0.539SS..Hα-helixtrans-67.5-22.4173.5-173.40000113.3L113 L114 H115L113-S117 WeakPolarHBondContact O-CB 3.42Å; L113-S117 PolarHBondContact O-N 3.42Å; L114-S117 PolarHBondContact O-N 3.3Å; H115-S117 VanDerWaalsContact C-N 3.32Å; H115-S117 PolarHBondContact O-N 3.19Å
118K70.7Confident66.9Low167 Ų167103.7 Ų103.773%0.72657%0.568SS**Hα-helixtrans-95.3-20.3-175.7-165.1171.9-176.3176.70113.5L114 H115 A116 N120 P121L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 2.94Å; L114-K118 VanDerWaalsContact O-N 3.09Å; H115-K118 WeakPolarHBondContact O-CA 3.47Å; H115-K118 WeakPolarHBondContact O-CB 3.49Å; H115-K118 PolarHBondContact O-N 2.99Å; A116-K118 PolarHBondContact O-N 2.83Å; K118-N120 VanDerWaalsContact C-N 3.25Å; K118-N120 PolarHBondContact O-N 3.34Å; K118-P121 WeakPolarHBondContact O-CD 3.24Å; K118-P121 WeakPolarHBondContact O-CG 3.29Å
119E62.4Low64.6Low163 Ų163106.1 Ų106.176%0.76259%0.586SS**SBendtrans-80.4-1.1173.4-70.5-172.4164.800113.8H115 P121H115-E119 PolarHBondContact O-N 3.46Å; E119-P121 WeakPolarHBondContact O-CD 3.29Å
120N55.8Low62.3Low128 Ų128102.5 Ų102.568%0.68459%0.588SS**  trans-10232.2-179.2-139.5-2.7000118K118K118-N120 VanDerWaalsContact C-N 3.25Å; K118-N120 PolarHBondContact O-N 3.34Å
121P52.5Low60.3Low98 Ų98110.2 Ų110.264%0.63663%0.626SS**SBendtrans-85.3-24.7177.7-5.125.1000114.8K118 E119K118-P121 WeakPolarHBondContact O-CD 3.24Å; K118-P121 WeakPolarHBondContact O-CG 3.29Å; E119-P121 WeakPolarHBondContact O-CD 3.29Å
122D46.4Very low57.8Low147 Ų147113.7 Ų113.779%0.78665%0.646SS**  trans-129.477.6-165.1-78.5-60.8000113.3
123T52.1Low55.3Low124 Ų124114.2 Ų114.276%0.76165%0.654SS**  trans-119124.8148.3-52.20000109.1
124H46.1Very low52.9Low158 Ų158116.6 Ų116.673%0.73167%0.672SS**  trans92.284.2165.9-135.6-99000119
125V41.4Very low50.5Low124 Ų124119.3 Ų119.375%0.75270%0.698SS**  trans-116.3110143.1-179.90000109.2T127V125-T127 PolarHBondContact O-N 2.88Å
126P50.3Low48.2Very low92 Ų92118.5 Ų118.560%0.59771%0.711SS**  trans-91.493.417734.6-31.1000110.7S128P126-S128 PolarHBondContact O-N 2.87Å
127T36.8Very low45.9Very low123 Ų123121.2 Ų121.276%0.75573%0.727SS**  trans-81.385.4173-560000111V125V125-T127 PolarHBondContact O-N 2.88Å
128S43.4Very low44Very low116 Ų116126.5 Ų126.581%0.81175%0.75SS**  trans-78.2113.4155.9-81.10000109.4P126P126-S128 PolarHBondContact O-N 2.87Å
129T41.5Very low42.9Very low137 Ų137124.8 Ų124.884%0.8475%0.753SS**  trans-143.9131.7152.7-59.70000107.5
130A39.8Very low42.4Very low75 Ų75122.2 Ų122.262%0.6275%0.75SS**  trans-122.6150.2-164.100000112.2
131M44Very low41.4Very low178 Ų178121.3 Ų121.388%0.87775%0.754SS**  trans73.2148.7162-35.1-162-18000114.3
132T33.7Very low40.4Very low113 Ų113120.8 Ų120.869%0.69376%0.758SS**  cis-150.2149.327.940.90000113.7
133T36.6Very low39.6Very low125 Ų125122 Ų12277%0.76776%0.759SS**  trans60.9140.1145.857.20000119.4
134T33.3Very low38.4Very low127 Ų127121.6 Ų121.678%0.77976%0.756SS**  cis-163.8160.519.1-11.40000112.4
135A32.3Very low37.7Very low90 Ų90120.9 Ų120.974%0.74476%0.763SS**  trans69.1102.5147.100000122.6
136A35.8Very low37.3Very low96 Ų96121.4 Ų121.479%0.79377%0.767SS**  71.598.6119.700000123.2
137S34.5Very low36.9Very low116 Ų116123.2 Ų123.281%0.81178%0.779SS**  87.7152.5114.4-148.10000122.3
138I35.2Very low36.7Very low159 Ų159120.5 Ų120.582%0.81578%0.775SS**  trans84.8109.7165.1-46.5178.7000118.1
139V46.9Very low36.3Very low132 Ų132125.6 Ų125.680%0.878%0.782SS**  trans-95167156.1-102.40000108.9
140P53.1Low35.9Very low108 Ų108124 Ų12470%0.70178%0.783SS**  cis-144.9-173.720.942.6-22.1000117.6
141S33.4Very low35.6Very low110 Ų110123.8 Ų123.877%0.76979%0.788SS**  trans65.4114142.6-67.30000123.9
142A32.5Very low35.2Very low86 Ų86123.9 Ų123.971%0.71179%0.786SS**  76.7145.6113.900000123.9
143E29.8Very low35.3Very low174 Ų174125.7 Ų125.781%0.81379%0.786SS**  trans94.3127.5152.4-49.8-154.5177.300122.9
144T26.3Very low35.2Very low115 Ų115124.2 Ų124.271%0.70677%0.774SS**  trans57.2119147.853.20000122.7
145T30.3Very low35.5Very low143 Ų143125.1 Ų125.188%0.87777%0.767SS**  -178.8160.696.529.30000113.9
146T33Very low35.5Very low134 Ų134131.8 Ų131.882%0.82277%0.773SS**  trans-89.7-175.1-179.345.50000111.7
147P43.4Very low35.6Very low131 Ų131137.4 Ų137.485%0.85177%0.773SS**  cis-135.2-173.913.142.5-22.7000115.5
148G31.1Very low35.5Very low65 Ų65137.5 Ų137.567%0.6777%0.765SS**  cis162.9150.9-12.600000114.4
149K36.5Very low35.4Very low223 Ų223138.1 Ų138.197%0.9777%0.765SS**  trans65.2150170.2-67.2-178.3176.21790117.7
150A32.5Very low34.8Very low104 Ų104138.6 Ų138.686%0.8677%0.767SS**  cis-142.3167.99.100000111.1
151G33.1Very low34.2Very low70 Ų70139 Ų13972%0.72277%0.768SS**  cis178.1179.4-1.400000113.9
152H35.1Very low34.7Very low181 Ų181139.6 Ų139.684%0.83877%0.769SS**  trans50.6117.2166.8-93-119.1000121.2
153H37.3Very low34.6Very low150 Ų150140.7 Ų140.769%0.69477%0.771SS**  74.1126.876.6-128.2-110.9000113.1
154D34.4Very low34.6Very low94 Ų94137.9 Ų137.950%0.50377%0.77SS.*  cis-159150.93.5-156.4-148000113.2
155K38.2Very low34.7Very low146 Ų146139.7 Ų139.764%0.63578%0.78SS**  trans35.9138.1145.2-79.8-178.4-152.975.30121.8
156R33.5Very low34.5Very low230 Ų230136.4 Ų136.487%0.86878%0.775SS**  -153.915359-89-170.2174.5-89-1.8116.1
157R37.1Very low34.1Very low214 Ų214134.1 Ų134.181%0.80878%0.778SS**  trans-73.4170161.4-118.8177.1179.8-107.64.2110.2
158D32Very low33.3Very low119 Ų119131.6 Ų131.664%0.63678%0.776SS**  cis-157.7165.432.6-112.9-48.8000112.3
159E34.1Very low33.1Very low172 Ų172134.3 Ų134.380%0.80478%0.775SS**  trans-75.2166.5165.9-54.2-169.5106.500112.2
160V33.8Very low32.8Very low142 Ų142132.1 Ų132.186%0.86177%0.766SS**  -166142.3105.8-147.10000111.4
161T39.6Very low32.8Very low115 Ų115132.7 Ų132.771%0.70676%0.763SS**  trans-92.4146.8163.8-54.90000111.1
162P44.8Very low32.6Very low123 Ų123133.5 Ų133.580%0.79977%0.771SS**  trans-141.6165.9134.435.8-21.3000114.8
163C30.2Very low32.3Very low110 Ų110128.7 Ų128.774%0.74377%0.771SS**  trans-105.5152.2-172.6-59.20000115
164S29.7Very low32.1Very low114 Ų114131.1 Ų131.180%0.79778%0.78SS**  trans85.8147.1140.5-64.20000123.5
165V28.8Very low32Very low153 Ų153138 Ų13893%0.92780%0.799SS**  trans90.8113.2157.1-1620000119.4
166G26.2Very low31.6Very low75 Ų75136.6 Ų136.677%0.77381%0.807SS**  127.894128.200000121.5
167G24.6Very low31.7Very low85 Ų85137.6 Ų137.688%0.87681%0.811SS**  86.1113.412200000123.4
168G25.7Very low31.3Very low78 Ų78136.8 Ų136.880%0.80481%0.807SS**  trans80.7158.1145.800000118.8
169D28.1Very low31.6Very low123 Ų123136.3 Ų136.366%0.65880%0.801SS**  cis-167.5143.4-11.1-164.2-137.7000111.1
170K30.8Very low31.6Very low177 Ų177133 Ų13377%0.7778%0.784SS**  trans61.4148.6168.5-60.8167.1178.6109.30117.4
171S31.7Very low31.3Very low116 Ų116130.5 Ų130.581%0.81177%0.773SS**  cis-165.9146.343-55.90000113.5
172G28.4Very low30.8Very low86 Ų86128.2 Ų128.289%0.88777%0.772SS**  trans65.2146.3150.900000119.4
173G29.7Very low30.1Very low81 Ų81130.7 Ų130.784%0.83577%0.773SS**  cis-167.9158.4-1.300000111.1
174K32.2Very low30.1Very low201 Ų201131.1 Ų131.187%0.87477%0.769SS**  trans-90.7161.7-177.9-61.9172.7176.9176.30112
175R33.2Very low29.8Very low239 Ų239135.6 Ų135.690%0.90277%0.768SS**  trans114.6115.6155.1-67.1164.8177.3162.3-1.2113.1
176S28.9Very low29.8Very low115 Ų115134.3 Ų134.380%0.80475%0.752SS**  79.211067.3164.20000113.7
177R35.2Very low29.9Very low252 Ų252136 Ų13695%0.95175%0.752SS**  trans-143152.3140.2-148.5166.3-163.9160.65.5111.6
178R29.9Very low29.9Very low196 Ų196142.1 Ų142.174%0.7475%0.75SS**  trans-137.4129.3-167.6150.1178.4-174.9-173.33.4107.3
179Q38.4Very low30.1Very low109 Ų109141 Ų14151%0.50974%0.739SS.*  trans58.2162.4149.1-74.6-176.6-25.700118.5
180K33.6Very low30.2Very low103 Ų103139.9 Ų139.945%0.44874%0.74SS.*  cis178.5162-15.9162166.7164.7158.70108.3E283K180-E283 WeakPolarHBondContact CE-OE2 3.43Å; K180-E283 IonicContact NZ-OE2 3.95Å; K180-E283 PolarHBondContact NZ-OE2 2.81Å
181S27.7Very low30Very low89 Ų89140.3 Ų140.362%0.62275%0.748SS**  trans65.1155.3163.1-76.80000115.7
182G30.1Very low29.8Very low67 Ų67138.1 Ų138.169%0.69174%0.743SS**  cis168.6176.67.100000106.9
183E29.9Very low29.7Very low175 Ų175143 Ų14382%0.81874%0.742SS**  cis-163.1149.7-3.1-100.2155.3144.900107.4
184N28.7Very low29.6Very low120 Ų120144.2 Ų144.264%0.64273%0.733SS**  trans20.8130.9136.6-172.155.6000122.5
185W23.4Very low29.3Very low208 Ų208141.5 Ų141.579%0.78873%0.728SS**  -163.3176.2119.9-151.8-95.4000112.6
186E29.5Very low28.9Very low126 Ų126137.4 Ų137.459%0.58972%0.719SS**  trans-114.3167.7-146.2-39.9163.7135.800118.2
187S27.7Very low28.9Very low110 Ų110138 Ų13877%0.76972%0.718SS**  trans70.4108.7132.3-161.40000124.3
188Y26.1Very low28.7Very low213 Ų213129.4 Ų129.484%0.83570%0.701SS**  -171.9158127.6-144.8-102.6000111
189G29.7Very low28.9Very low56 Ų56126.3 Ų126.358%0.57771%0.706SS**  cis155.8139.8-18.400000115.7
190S28.8Very low28.7Very low98 Ų98132 Ų13269%0.68572%0.723SS**  trans88.1125.5161.1-147.10000122.9
191M26.8Very low28.6Very low187 Ų187133.9 Ų133.992%0.92173%0.733SS**  trans63.3135.8155.5-58.5-89.6-175.400120.7
192G27.2Very low28.7Very low69 Ų69136.9 Ų136.971%0.71174%0.735SS**  cis170167.4-800000114.1
193H27.1Very low28.8Very low188 Ų188145.2 Ų145.287%0.8775%0.746SS**  trans44121151.4-144.3-132.5000118.6
194V27.7Very low28.7Very low108 Ų108140.9 Ų140.966%0.65574%0.74SS**  cis-143-164.344.9-72.80000110.2
195D26.5Very low28.8Very low144 Ų144144.8 Ų144.877%0.7775%0.751SS**  cis-155.7-174.24.4-141.2-44.6000111.3
196E24.5Very low29Very low152 Ų152140.3 Ų140.371%0.7175%0.747SS**  trans-102.7175.9173-113.8-159.299.200112.5
197V29Very low29.1Very low128 Ų128142.1 Ų142.178%0.77676%0.76SS**  cis-158149.445.9-146.70000112.7
198A30.2Very low29Very low72 Ų72141.6 Ų141.660%0.59576%0.756SS**  trans-99.1175.4160.200000111.3
199P34.2Very low29.1Very low131 Ų131136.3 Ų136.385%0.85175%0.75SS**  -151.116795.935.5-16.2000116.7
200R33.8Very low29.2Very low229 Ų229142.8 Ų142.886%0.86476%0.762SS**  trans-85.1173.3175.3-64.8168.3150.9-121.1-3.1112
201E31.4Very low29.3Very low141 Ų141146.1 Ų146.166%0.65976%0.764SS**  169.2132.9101.7-82.5-152.1162.200116.6
202K30.7Very low29.5Very low152 Ų152145.7 Ų145.766%0.66176%0.757SS**  trans48.2131.2135.2-53.2174.2-167.4150.40118.5
203R31.8Very low29.6Very low243 Ų243151.6 Ų151.692%0.91776%0.764SS**  -166.6-156.165.7-129.2148.6-171.6-161.14.3114.2
204A28.9Very low29.8Very low83 Ų83147.8 Ų147.869%0.68676%0.758SS**  trans-163.3179-146.800000116.8
205K29.5Very low30Very low202 Ų202153 Ų15388%0.87877%0.772SS**  trans85.9151.8173.3-45.4170.1179.5-177.80114.3
206T27.8Very low30.2Very low114 Ų114149.8 Ų149.870%0.69977%0.773SS**  cis-154.9146.922.644.60000114.2
207L31Very low30.6Very low164 Ų164152.4 Ų152.486%0.85978%0.782SS**  46.2143.3127.4-51.1176.3000121
208S27.2Very low30.9Very low100 Ų100151.6 Ų151.670%0.69978%0.782SS**  cis-174.2170.24.756.40000114.5
209S28.5Very low31.2Very low101 Ų101157.8 Ų157.871%0.70680%0.799SS**  trans84.9102.8143.2-67.20000124.5
210K30.3Very low32Very low192 Ų192162.6 Ų162.684%0.83580%0.8SS**  83.6113.6109.6-154.8175.8-169.3168.80120
211K30.8Very low32.1Very low168 Ų168161 Ų16173%0.7380%0.802SS**  149.4122.4104-159.4169.2-176.4-176.30117.7
212K32.2Very low32.7Very low178 Ų178160.1 Ų160.177%0.77481%0.806SS**  trans65.6112.5147.8-76.4-176175.8-171.90123.9
213K28.7Very low33.6Very low194 Ų194158 Ų15884%0.84381%0.811SS**  56.1111.3113.8-173-172.8178.31790120.9
214S30.7Very low35Very low108 Ų108151.8 Ų151.876%0.75580%0.802SS**  174122.1103.758.30000117.3
215K32.8Very low35.6Very low216 Ų216155.3 Ų155.394%0.93981%0.808SS**  trans24.7114136.7-170.1177.6-175.9177.80119.9
216G30.9Very low36.6Very low77 Ų77153.6 Ų153.679%0.79481%0.809SS**  trans173.468.5165.400000120.4
217K32.5Very low37.8Very low207 Ų207154.3 Ų154.390%0.981%0.808SS**  trans32.396.9146.5-157.3179.5-174.4-171.70121.1
218S35.6Very low38.8Very low112 Ų112152.2 Ų152.278%0.78380%0.804SS**  trans47.9106.2133.9179.60000121.1
219E36.5Very low39.7Very low202 Ų202153.9 Ų153.994%0.94480%0.803SS**  trans-146.6168.8136.8-123.9167.4163.900111.3
220R49.4Very low41.1Very low231 Ų231154.1 Ų154.187%0.87280%0.797SS**  trans-97.8130.2-158.8167.5-167.2-171.5176.22.1112
221E36.8Very low42.8Very low196 Ų196150.8 Ų150.892%0.91680%0.795SS**  trans-151.6159.4159.1-79.4-133.813300111.2
222V43.5Very low44.5Very low122 Ų122149.9 Ų149.974%0.73980%0.798SS**  trans-123.3116.8-171.11710000111.5
223S50.2Low46.4Very low108 Ų108145.5 Ų145.576%0.75578%0.78SS**  trans65.6168.3156.5-60.90000118.5
224P60.8Low48.5Very low112 Ų112139.8 Ų139.873%0.72776%0.763SS**  cis-123.6148.2-14.419.62000113.4
225L41Very low51Low158 Ų158138.8 Ų138.883%0.82775%0.752SS**  trans-140.9119.8157.9-78-179.5000111.3L227L225-L227 PolarHBondContact O-N 2.71Å
226D50.4Low53.5Low165 Ų165132 Ų13288%0.88272%0.722SS**  trans-68.390.8168.4-177.123.8000109.3
227L53.4Low56.3Low130 Ų130128.5 Ų128.568%0.68169%0.685SS**PPolyproline II helixtrans-96.8134.7171.4-73.2169.5000108.4L225 I229L225-L227 PolarHBondContact O-N 2.71Å; L227-I229 PolarHBondContact O-N 3.12Å; L227-I229 VanDerWaalsContact O-N 3.07Å
228P51.9Low58.8Low119 Ų119121.9 Ų121.977%0.77366%0.659SS**PPolyproline II helixtrans-60.2118.2175.425.7-33.3000109.3D230P228-D230 PolarHBondContact O-N 3.44Å
229I46.2Very low61.3Low135 Ų135118.6 Ų118.669%0.69264%0.635SS**PPolyproline II helixtrans-55.2124.1-176.8-60.4167.5000109L227 P231L227-I229 PolarHBondContact O-N 3.12Å; L227-I229 VanDerWaalsContact O-N 3.07Å; I229-P231 WeakPolarHBondContact O-CD 3.3Å
230D57.8Low63.6Low107 Ų107115.8 Ų115.857%0.57262%0.622SS**PPolyproline II helixtrans-71.2118.5-177.5-159.6-18.9000108.9P228 D232 E233P228-D230 PolarHBondContact O-N 3.44Å; D230-D232 PolarHBondContact O-N 3.48Å; D230-E233 PolarHBondContact O-N 3.33Å
231P66.9Low65.1Low121 Ų121109.4 Ų109.479%0.78660%0.602SS**THydrogen-bonded Turntrans-67.6-3.4-170.126-36.5000115.5I229I229-P231 WeakPolarHBondContact O-CD 3.3Å
232D66.8Low67.5Low150 Ų150101.9 Ų101.980%0.80257%0.569SS**THydrogen-bonded Turntrans-101.95177.1-73.3-45.1000113.8D230D230-D232 PolarHBondContact O-N 3.48Å
233E71.6Confident69.5Low86 Ų8699 Ų9940%0.40255%0.554SS.*SBendtrans-76.7125.4177.1-165.7172.6-179.700111.9D230 T235 V242D230-E233 PolarHBondContact O-N 3.33Å; E233-T235 PolarHBondContact O-N 2.91Å; E233-V242 HydrophobicContact CB-CG1 3.86Å; E233-V242 HydrophobicContact CG-CB 4.17Å; E233-V242 HydrophobicContact CG-CG1 3.74Å; E233-V242 WeakPolarHBondContact OE2-CG1 3.39Å
234P73.3Confident71.1Confident73 Ų7398.5 Ų98.547%0.47454%0.537SS..PPolyproline II helixtrans-65.5133.5-17725-34.1000112.3Y236P234-Y236 HydrophobicContact CB-CE2 4.17Å; P234-Y236 HydrophobicContact CG-CE2 3.93Å; P234-Y236 WeakPolarHBondContact CG-OH 3.47Å; P234-Y236 VanDerWaalsContact O-CD2 3.29Å; P234-Y236 WeakPolarHBondContact O-CD2 3.44Å; P234-Y236 VanDerWaalsContact O-CE2 3.24Å; P234-Y236 WeakPolarHBondContact O-CE2 3.19Å
235T82.1Confident72.4Confident88 Ų8896.9 Ų96.954%0.5454%0.541SS..PPolyproline II helixtrans-85.7140.217954.40000111.7E233 E240E233-T235 PolarHBondContact O-N 2.91Å; T235-E240 WeakPolarHBondContact CB-O 3.3Å; T235-E240 WeakPolarHBondContact CG2-O 3.31Å
236Y85.9Confident74.7Confident74 Ų7495.2 Ų95.229%0.2953%0.529SS..BIsolated β-bridgetrans-129.9174.7-178-59.9-72.4000111P234 E240 Q241 M247 W259P234-Y236 HydrophobicContact CB-CE2 4.17Å; P234-Y236 HydrophobicContact CG-CE2 3.93Å; P234-Y236 WeakPolarHBondContact CG-OH 3.47Å; P234-Y236 VanDerWaalsContact O-CD2 3.29Å; P234-Y236 WeakPolarHBondContact O-CD2 3.44Å; P234-Y236 VanDerWaalsContact O-CE2 3.24Å; P234-Y236 WeakPolarHBondContact O-CE2 3.19Å; Y236-E240 PolarHBondContact O-N 2.89Å; Y236-Q241 PolarHBondContact N-O 2.91Å; Y236-Q241 PolarHBondContact O-N 2.93Å; Y236-M247 HydrophobicContact CG-CE 4.33Å; Y236-W259 HydrophobicContact CD1-CB 4.06Å; Y236-W259 HydrophobicContact CG-CB 4.35Å
237C89.3Confident76.7Confident3 Ų389.6 Ų89.62%0.0250%0.497CS..THydrogen-bonded Turntrans60.4-174.9-179.4-158.10000114.8C239 I257 W259 F260 H261 C264C237-C239 VanDerWaalsContact C-N 3.28Å; C237-I257 VanDerWaalsContact N-CG2 3.31Å; C237-W259 VanDerWaalsContact CA-O 3.23Å; C237-W259 WeakPolarHBondContact CA-O 3.49Å; C237-W259 PolarHBondContact N-O 2.96Å; C237-F260 HydrophobicContact CB-CB 4.45Å; C237-F260 HydrophobicContact CB-CD1 4.35Å; C237-F260 VanDerWaalsContact SG-CA 3.52Å; C237-H261 WeakPolarHBondContact CB-ND1 3.24Å; C237-H261 PolarHBondContact SG-N 2.81Å; C237-H261 VanDerWaalsContact SG-N 3.35Å; C237-C264 WeakPolarHBondContact SG-CB 3.18Å
238L85.3Confident78.6Confident67 Ų6784.1 Ų84.135%0.35147%0.469SS..THydrogen-bonded Turntrans-77.5-13.9176.8-59.9175.5000113I257 F260 P278 K279L238-I257 HydrophobicContact CD2-CD1 4.03Å; L238-F260 HydrophobicContact CD2-CE1 3.93Å; L238-F260 HydrophobicContact CG-CD1 4.07Å; L238-F260 HydrophobicContact CG-CE1 3.85Å; L238-P278 HydrophobicContact CD1-CG 4.27Å; L238-K279 HydrophobicContact CD2-CD 3.82Å; L238-K279 HydrophobicContact CD2-CG 4.25Å
239C88.8Confident80.5Confident44 Ų4479.7 Ų79.730%0.29744%0.444SS..THydrogen-bonded Turntrans-90.9-3.7177.958.80000113.3C237 Q241 H261C237-C239 VanDerWaalsContact C-N 3.28Å; C239-Q241 HydrophobicContact CB-CG 4.04Å; C239-Q241 WeakPolarHBondContact O-CG 3.45Å; C239-Q241 PolarHBondContact O-N 3.44Å; C239-Q241 VanDerWaalsContact O-N 3.16Å; C239-Q241 PolarHBondContact O-NE2 3.47Å; C239-Q241 VanDerWaalsContact O-NE2 3.07Å; C239-H261 PolarHBondContact SG-CE1 3.36Å; C239-H261 PolarHBondContact SG-ND1 2.98Å; C239-H261 VanDerWaalsContact SG-ND1 3.39Å
240E84.4Confident82.7Confident143 Ų14374 Ų7467%0.66842%0.416SS*.THydrogen-bonded Turntrans52.437.1-179.9-59.4177.6-174.800112.3T235 Y236T235-E240 WeakPolarHBondContact CB-O 3.3Å; T235-E240 WeakPolarHBondContact CG2-O 3.31Å; Y236-E240 PolarHBondContact O-N 2.89Å
241Q81.2Confident84.2Confident97 Ų9771.6 Ų71.645%0.45340%0.404SS..BIsolated β-bridgetrans-104.8161.8177.7-62-53.2-70.300111.2Y236 C239 Y244Y236-Q241 PolarHBondContact N-O 2.91Å; Y236-Q241 PolarHBondContact O-N 2.93Å; C239-Q241 HydrophobicContact CB-CG 4.04Å; C239-Q241 WeakPolarHBondContact O-CG 3.45Å; C239-Q241 PolarHBondContact O-N 3.44Å; C239-Q241 VanDerWaalsContact O-N 3.16Å; C239-Q241 PolarHBondContact O-NE2 3.47Å; C239-Q241 VanDerWaalsContact O-NE2 3.07Å; Q241-Y244 HydrophobicContact CB-CD1 4.44Å; Q241-Y244 HydrophobicContact CB-CE1 3.88Å; Q241-Y244 HydrophobicContact CG-CE1 4.41Å
242V86.9Confident85.1Confident37 Ų3767.3 Ų67.322%0.22437%0.374CS..  trans-58.4165.3171.7-59.30000112.3E233 Y244 H261E233-V242 HydrophobicContact CB-CG1 3.86Å; E233-V242 HydrophobicContact CG-CB 4.17Å; E233-V242 HydrophobicContact CG-CG1 3.74Å; E233-V242 WeakPolarHBondContact OE2-CG1 3.39Å; V242-Y244 VanDerWaalsContact O-CD1 3.29Å; V242-Y244 WeakPolarHBondContact O-CD1 3.31Å; V242-Y244 PolarHBondContact O-N 3.46Å; V242-H261 PolarHBondContact O-NE2 2.94Å
243S85.1Confident85.8Confident61 Ų6166.9 Ų66.943%0.42737%0.372SS..  trans-67121.8176.353.90000111.9M247S243-M247 VanDerWaalsContact CA-SD 3.57Å; S243-M247 WeakPolarHBondContact CB-SD 3.46Å
244Y84.6Confident86.3Confident99 Ų9971 Ų7139%0.38839%0.391SS..  trans-141.7150.1175.864.8-103.4000112.4Q241 V242 H261 C264Q241-Y244 HydrophobicContact CB-CD1 4.44Å; Q241-Y244 HydrophobicContact CB-CE1 3.88Å; Q241-Y244 HydrophobicContact CG-CE1 4.41Å; V242-Y244 VanDerWaalsContact O-CD1 3.29Å; V242-Y244 WeakPolarHBondContact O-CD1 3.31Å; V242-Y244 PolarHBondContact O-N 3.46Å; Y244-H261 AromaticContact CD1-CD2 3.59Å; Y244-H261 AromaticContact CD1-NE2 3.3Å; Y244-H261 VanDerWaalsContact CD1-NE2 3.3Å; Y244-H261 WeakPolarHBondContact CD1-NE2 3.42Å; Y244-H261 AromaticContact CD2-CD2 3.77Å; Y244-H261 AromaticContact CE1-CD2 3.55Å; Y244-H261 AromaticContact CE1-CE1 3.62Å; Y244-H261 AromaticContact CE1-CG 3.99Å; Y244-H261 AromaticContact CE1-NE2 3.29Å; Y244-H261 VanDerWaalsContact CE1-NE2 3.29Å; Y244-H261 WeakPolarHBondContact CE1-NE2 3.34Å; Y244-H261 HydrophobicContact CE2-CB 4.15Å; Y244-H261 AromaticContact CE2-CD2 3.72Å; Y244-H261 AromaticContact CE2-CG 3.96Å; Y244-H261 AromaticContact CG-CD2 3.69Å; Y244-H261 AromaticContact CG-NE2 3.85Å; Y244-H261 AromaticContact CZ-CD2 3.61Å; Y244-H261 AromaticContact CZ-CG 3.71Å; Y244-H261 AromaticContact CZ-NE2 3.82Å; Y244-H261 PolarHBondContact O-CD2 2.92Å; Y244-C264 PolarHBondContact OH-SG 3.17Å
245G86.8Confident86.9Confident78 Ų7868 Ų6880%0.80437%0.372SS*.SBendtrans58.6-143.7176.800000114.2
246E90.9Very high86.8Confident123 Ų12372.2 Ų72.258%0.57539%0.39SS*.SBendtrans-84.7132.4175-62.9-164.4128.400111.3F262E246-F262 HydrophobicContact CB-CB 4.16Å; E246-F262 HydrophobicContact CB-CD1 3.8Å; E246-F262 HydrophobicContact CB-CD2 3.68Å; E246-F262 HydrophobicContact CB-CE1 3.99Å; E246-F262 HydrophobicContact CB-CE2 3.87Å; E246-F262 HydrophobicContact CB-CG 3.64Å; E246-F262 HydrophobicContact CB-CZ 4.03Å; E246-F262 HydrophobicContact CG-CD2 4.49Å; E246-F262 HydrophobicContact CG-CE2 4.49Å; E246-F262 WeakPolarHBondContact O-CB 3.48Å; E246-F262 VanDerWaalsContact O-CD1 3.31Å; E246-F262 WeakPolarHBondContact O-CD1 3.49Å; E246-F262 PolarHBondContact O-N 3.09Å; E246-F262 VanDerWaalsContact OE2-CD2 3.24Å; E246-F262 WeakPolarHBondContact OE2-CD2 3.31Å; E246-F262 WeakPolarHBondContact OE2-CE2 3.4Å
247M91.9Very high86.7Confident46 Ų4670.7 Ų70.723%0.22739%0.386CS..EExtended strand (participates in β ladder)trans-126.4147.4179.2-61.7-173.181.200112.3Y236 S243 W259 F260Y236-M247 HydrophobicContact CG-CE 4.33Å; S243-M247 VanDerWaalsContact CA-SD 3.57Å; S243-M247 WeakPolarHBondContact CB-SD 3.46Å; M247-W259 HydrophobicContact CB-CE3 4.49Å; M247-W259 HydrophobicContact CE-CB 3.97Å; M247-F260 CarbonylContact C-O 3.58Å; M247-F260 VanDerWaalsContact CA-O 3.24Å; M247-F260 WeakPolarHBondContact CA-O 3.24Å
248I92.6Very high86.7Confident16 Ų1675.7 Ų75.78%0.08241%0.41CS..EExtended strand (participates in β ladder)trans-119.1136.4178.2-170.2160.9000111.2W259 F260 F262 V265 L267 P271 W275I248-W259 WeakPolarHBondContact O-CA 3.47Å; I248-F260 HydrophobicContact CG2-CB 4.1Å; I248-F260 PolarHBondContact N-O 3.31Å; I248-F260 PolarHBondContact O-N 3.36Å; I248-F262 HydrophobicContact CB-CD1 4.2Å; I248-F262 HydrophobicContact CB-CE1 3.81Å; I248-F262 HydrophobicContact CG2-CD1 4.4Å; I248-F262 HydrophobicContact CG2-CE1 4.49Å; I248-V265 HydrophobicContact CG2-CG2 4.06Å; I248-L267 HydrophobicContact CB-CD1 4.49Å; I248-L267 HydrophobicContact CD1-CD1 3.64Å; I248-L267 HydrophobicContact CG2-CD1 3.99Å; I248-P271 VanDerWaalsContact CD1-CD 3.45Å; I248-P271 HydrophobicContact CD1-CG 3.41Å; I248-P271 VanDerWaalsContact CD1-CG 3.41Å; I248-W275 HydrophobicContact CB-CE3 4.42Å; I248-W275 HydrophobicContact CD1-CB 3.68Å; I248-W275 HydrophobicContact CD1-CD2 3.54Å; I248-W275 HydrophobicContact CD1-CE3 3.85Å; I248-W275 HydrophobicContact CD1-CG 3.46Å; I248-W275 VanDerWaalsContact CD1-CG 3.46Å; I248-W275 HydrophobicContact CG1-CB 4.41Å; I248-W275 HydrophobicContact CG1-CD2 3.98Å; I248-W275 HydrophobicContact CG1-CE3 3.72Å; I248-W275 HydrophobicContact CG1-CG 4.29Å; I248-W275 HydrophobicContact CG1-CZ3 4.26Å; I248-W275 HydrophobicContact CG2-CD2 4.26Å; I248-W275 HydrophobicContact CG2-CE3 3.91Å; I248-W275 HydrophobicContact CG2-CH2 3.69Å; I248-W275 HydrophobicContact CG2-CZ2 4.08Å; I248-W275 HydrophobicContact CG2-CZ3 3.61Å
249G92.2Very high87.1Confident25 Ų2578 Ų7826%0.25841%0.414SS..EExtended strand (participates in β ladder)trans-86.3140.3171.100000111.4E258G249-E258 CarbonylContact C-O 3.54Å; G249-E258 WeakPolarHBondContact CA-O 3.36Å
250C92.1Very high87.3Confident15 Ų1575.9 Ų75.910%0.10140%0.4CS..  trans-82.2120.9172179.40000110.3N252 C255 E258 F260 W275 C277C250-N252 PolarHBondContact O-N 3.18Å; C250-C255 HydrophobicContact CB-CB 4.22Å; C250-E258 PolarHBondContact N-O 3.05Å; C250-F260 HydrophobicContact CB-CD2 4.43Å; C250-F260 HydrophobicContact CB-CE2 3.93Å; C250-W275 HydrophobicContact CB-CE3 4.43Å; C250-W275 HydrophobicContact CB-CZ3 4.11Å; C250-C277 HydrophobicContact CB-CB 4.23Å; C250-C277 PolarHBondContact SG-N 2.88Å; C250-C277 VanDerWaalsContact SG-N 3.36Å
251D90.1Very high87.7Confident58 Ų5869.1 Ų69.131%0.3137%0.368SS..SBendtrans-67.514.6179.9-86.4-82.2000115.3K274 W275 F276D251-K274 HydrophobicContact CB-CB 4.18Å; D251-K274 HydrophobicContact CB-CD 4.42Å; D251-K274 HydrophobicContact CB-CG 4.26Å; D251-K274 IonicContact OD1-NZ 3.56Å; D251-K274 PolarHBondContact OD1-NZ 2.97Å; D251-K274 WeakPolarHBondContact OD2-CA 3.35Å; D251-W275 WeakPolarHBondContact CB-O 3.48Å; D251-W275 PolarHBondContact N-O 3.49Å; D251-W275 PolarHBondContact OD2-N 3.47Å; D251-F276 HydrophobicContact CB-CD1 4.05Å; D251-F276 HydrophobicContact CB-CE1 3.63Å; D251-F276 HydrophobicContact CB-CZ 4.06Å; D251-F276 WeakPolarHBondContact O-CE1 3.36Å
252N84.9Confident88.3Confident30 Ų3065.4 Ų65.416%0.1635%0.35CS..  trans-105.3108.6177.6-174.269.9000109.2C250 E254 C255 F276 C280 M288C250-N252 PolarHBondContact O-N 3.18Å; N252-E254 PolarHBondContact ND2-N 2.92Å; N252-E254 PolarHBondContact O-N 3.01Å; N252-C255 HydrophobicContact CB-CB 4.4Å; N252-C255 PolarHBondContact ND2-N 2.85Å; N252-C255 WeakPolarHBondContact O-CB 3.41Å; N252-C255 PolarHBondContact O-N 3.36Å; N252-F276 HydrophobicContact CB-CD1 3.96Å; N252-F276 HydrophobicContact CB-CE1 4.18Å; N252-C280 HydrophobicContact CB-CB 4.26Å; N252-M288 WeakPolarHBondContact OD1-CE 3.49Å
253D82.4Confident88.3Confident141 Ų14167.7 Ų67.775%0.75437%0.368SS*.THydrogen-bonded Turntrans-59.7-12.6-177.9-60.4-16.8000113.6
254E82.4Confident88.6Confident172 Ų17267.1 Ų67.180%0.80436%0.363SS*.THydrogen-bonded Turntrans-100.913.7175-58.3176.7179.700113.1N252 L256N252-E254 PolarHBondContact ND2-N 2.92Å; N252-E254 PolarHBondContact O-N 3.01Å; E254-L256 PolarHBondContact O-N 3.18Å
255C84.9Confident88.8Confident11 Ų1163.5 Ų63.57%0.07435%0.351CS..  trans-80.5115.4179.6-167.80000111.7C250 N252 I257 E258 C277 C280C250-C255 HydrophobicContact CB-CB 4.22Å; N252-C255 HydrophobicContact CB-CB 4.4Å; N252-C255 PolarHBondContact ND2-N 2.85Å; N252-C255 WeakPolarHBondContact O-CB 3.41Å; N252-C255 PolarHBondContact O-N 3.36Å; C255-I257 PolarHBondContact O-N 2.9Å; C255-I257 VanDerWaalsContact O-N 3.12Å; C255-E258 VanDerWaalsContact O-CG 3.24Å; C255-E258 WeakPolarHBondContact O-CG 3.4Å; C255-E258 PolarHBondContact O-N 3.36Å; C255-C277 VanDerWaalsContact SG-SG 3.67Å; C255-C280 VanDerWaalsContact SG-SG 3.64Å
256L79.5Confident88.9Confident177 Ų17763.8 Ų63.893%0.92735%0.347SS*.SBendtrans-62.3-20.8-177.8-63.4176.4000115.9E254E254-L256 PolarHBondContact O-N 3.18Å
257I84.9Confident88.6Confident41 Ų4159.5 Ų59.521%0.2133%0.327CS..SBendtrans-104.8-29.4-174.7-63.5172000111.4C237 L238 C255 W259 F260 K279C237-I257 VanDerWaalsContact N-CG2 3.31Å; L238-I257 HydrophobicContact CD2-CD1 4.03Å; C255-I257 PolarHBondContact O-N 2.9Å; C255-I257 VanDerWaalsContact O-N 3.12Å; I257-W259 WeakPolarHBondContact CG2-O 3.32Å; I257-W259 PolarHBondContact O-N 2.99Å; I257-F260 HydrophobicContact CB-CE1 4.28Å; I257-F260 HydrophobicContact CB-CE2 4.32Å; I257-F260 HydrophobicContact CB-CZ 3.71Å; I257-F260 HydrophobicContact CD1-CE1 4.33Å; I257-F260 HydrophobicContact CD1-CZ 4.39Å; I257-F260 HydrophobicContact CG2-CE1 3.88Å; I257-F260 HydrophobicContact CG2-CE2 4.15Å; I257-F260 HydrophobicContact CG2-CZ 3.66Å; I257-K279 HydrophobicContact CD1-CD 4.45Å
258E90Very high88.2Confident108 Ų10864.7 Ų64.751%0.50535%0.351SS..  trans56.5-48-175.8-57.7-174.5175.200116.6G249 C250 C255G249-E258 CarbonylContact C-O 3.54Å; G249-E258 WeakPolarHBondContact CA-O 3.36Å; C250-E258 PolarHBondContact N-O 3.05Å; C255-E258 VanDerWaalsContact O-CG 3.24Å; C255-E258 WeakPolarHBondContact O-CG 3.4Å; C255-E258 PolarHBondContact O-N 3.36Å
259W92.5Very high88Confident116 Ų11671.3 Ų71.344%0.43938%0.381SS..EExtended strand (participates in β ladder)trans-116.4138.4-168.9-65.292.4000113.3Y236 C237 M247 I248 I257Y236-W259 HydrophobicContact CD1-CB 4.06Å; Y236-W259 HydrophobicContact CG-CB 4.35Å; C237-W259 VanDerWaalsContact CA-O 3.23Å; C237-W259 WeakPolarHBondContact CA-O 3.49Å; C237-W259 PolarHBondContact N-O 2.96Å; M247-W259 HydrophobicContact CB-CE3 4.49Å; M247-W259 HydrophobicContact CE-CB 3.97Å; I248-W259 WeakPolarHBondContact O-CA 3.47Å; I257-W259 WeakPolarHBondContact CG2-O 3.32Å; I257-W259 PolarHBondContact O-N 2.99Å
260F93.3Very high87.8Confident0 Ų078.6 Ų78.60%041%0.405CS..EExtended strand (participates in β ladder)trans-138.3136.7-174.5-60.2-97.6000111.5C237 L238 M247 I248 C250 I257 V265 W275 C277C237-F260 HydrophobicContact CB-CB 4.45Å; C237-F260 HydrophobicContact CB-CD1 4.35Å; C237-F260 VanDerWaalsContact SG-CA 3.52Å; L238-F260 HydrophobicContact CD2-CE1 3.93Å; L238-F260 HydrophobicContact CG-CD1 4.07Å; L238-F260 HydrophobicContact CG-CE1 3.85Å; M247-F260 CarbonylContact C-O 3.58Å; M247-F260 VanDerWaalsContact CA-O 3.24Å; M247-F260 WeakPolarHBondContact CA-O 3.24Å; I248-F260 HydrophobicContact CG2-CB 4.1Å; I248-F260 PolarHBondContact N-O 3.31Å; I248-F260 PolarHBondContact O-N 3.36Å; C250-F260 HydrophobicContact CB-CD2 4.43Å; C250-F260 HydrophobicContact CB-CE2 3.93Å; I257-F260 HydrophobicContact CB-CE1 4.28Å; I257-F260 HydrophobicContact CB-CE2 4.32Å; I257-F260 HydrophobicContact CB-CZ 3.71Å; I257-F260 HydrophobicContact CD1-CE1 4.33Å; I257-F260 HydrophobicContact CD1-CZ 4.39Å; I257-F260 HydrophobicContact CG2-CE1 3.88Å; I257-F260 HydrophobicContact CG2-CE2 4.15Å; I257-F260 HydrophobicContact CG2-CZ 3.66Å; F260-V265 HydrophobicContact CB-CG1 3.81Å; F260-V265 HydrophobicContact CB-CG2 4.38Å; F260-V265 HydrophobicContact CD1-CG1 3.97Å; F260-V265 HydrophobicContact CG-CG1 4.16Å; F260-W275 HydrophobicContact CB-CH2 4.05Å; F260-W275 HydrophobicContact CB-CZ3 4.48Å; F260-W275 AromaticContact CD2-CH2 3.94Å; F260-W275 HydrophobicContact CD2-CH2 3.94Å; F260-W275 AromaticContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CE2-CZ3 4.47Å; F260-W275 AromaticContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CZ3 4.3Å; F260-C277 HydrophobicContact CD1-CB 4.16Å; F260-C277 HydrophobicContact CD2-CB 3.86Å; F260-C277 HydrophobicContact CE1-CB 3.7Å; F260-C277 HydrophobicContact CE2-CB 3.37Å; F260-C277 HydrophobicContact CG-CB 4.26Å; F260-C277 HydrophobicContact CZ-CB 3.28Å; F260-C277 VanDerWaalsContact CZ-SG 3.51Å
261H93.4Very high87.5Confident1 Ų179.8 Ų79.81%0.00541%0.413CS..EExtended strand (participates in β ladder)trans-70.1140.5172.7-44.790.9000110.7C237 C239 V242 Y244 S263 C264 V265C237-H261 WeakPolarHBondContact CB-ND1 3.24Å; C237-H261 PolarHBondContact SG-N 2.81Å; C237-H261 VanDerWaalsContact SG-N 3.35Å; C239-H261 PolarHBondContact SG-CE1 3.36Å; C239-H261 PolarHBondContact SG-ND1 2.98Å; C239-H261 VanDerWaalsContact SG-ND1 3.39Å; V242-H261 PolarHBondContact O-NE2 2.94Å; Y244-H261 AromaticContact CD1-CD2 3.59Å; Y244-H261 AromaticContact CD1-NE2 3.3Å; Y244-H261 VanDerWaalsContact CD1-NE2 3.3Å; Y244-H261 WeakPolarHBondContact CD1-NE2 3.42Å; Y244-H261 AromaticContact CD2-CD2 3.77Å; Y244-H261 AromaticContact CE1-CD2 3.55Å; Y244-H261 AromaticContact CE1-CE1 3.62Å; Y244-H261 AromaticContact CE1-CG 3.99Å; Y244-H261 AromaticContact CE1-NE2 3.29Å; Y244-H261 VanDerWaalsContact CE1-NE2 3.29Å; Y244-H261 WeakPolarHBondContact CE1-NE2 3.34Å; Y244-H261 HydrophobicContact CE2-CB 4.15Å; Y244-H261 AromaticContact CE2-CD2 3.72Å; Y244-H261 AromaticContact CE2-CG 3.96Å; Y244-H261 AromaticContact CG-CD2 3.69Å; Y244-H261 AromaticContact CG-NE2 3.85Å; Y244-H261 AromaticContact CZ-CD2 3.61Å; Y244-H261 AromaticContact CZ-CG 3.71Å; Y244-H261 AromaticContact CZ-NE2 3.82Å; Y244-H261 PolarHBondContact O-CD2 2.92Å; H261-S263 VanDerWaalsContact C-N 3.33Å; H261-S263 PolarHBondContact O-N 2.89Å; H261-C264 HydrophobicContact CB-CB 4.18Å; H261-C264 PolarHBondContact O-N 2.98Å; H261-C264 VanDerWaalsContact O-N 3.12Å; H261-V265 WeakPolarHBondContact O-CG2 3.12Å; H261-V265 PolarHBondContact O-N 3.04Å
262F92.7Very high87.1Confident18 Ų1887.2 Ų87.28%0.07944%0.443CS..THydrogen-bonded Turntrans-53.2-47.1-179.3-92.741000112.7E246 I248 C264 V265 A266 L267 K270E246-F262 HydrophobicContact CB-CB 4.16Å; E246-F262 HydrophobicContact CB-CD1 3.8Å; E246-F262 HydrophobicContact CB-CD2 3.68Å; E246-F262 HydrophobicContact CB-CE1 3.99Å; E246-F262 HydrophobicContact CB-CE2 3.87Å; E246-F262 HydrophobicContact CB-CG 3.64Å; E246-F262 HydrophobicContact CB-CZ 4.03Å; E246-F262 HydrophobicContact CG-CD2 4.49Å; E246-F262 HydrophobicContact CG-CE2 4.49Å; E246-F262 WeakPolarHBondContact O-CB 3.48Å; E246-F262 VanDerWaalsContact O-CD1 3.31Å; E246-F262 WeakPolarHBondContact O-CD1 3.49Å; E246-F262 PolarHBondContact O-N 3.09Å; E246-F262 VanDerWaalsContact OE2-CD2 3.24Å; E246-F262 WeakPolarHBondContact OE2-CD2 3.31Å; E246-F262 WeakPolarHBondContact OE2-CE2 3.4Å; I248-F262 HydrophobicContact CB-CD1 4.2Å; I248-F262 HydrophobicContact CB-CE1 3.81Å; I248-F262 HydrophobicContact CG2-CD1 4.4Å; I248-F262 HydrophobicContact CG2-CE1 4.49Å; F262-C264 PolarHBondContact O-N 3.44Å; F262-V265 CarbonylContact O-C 3.57Å; F262-V265 PolarHBondContact O-N 2.77Å; F262-A266 PolarHBondContact O-N 3.42Å; F262-A266 VanDerWaalsContact O-N 3.12Å; F262-L267 CarbonylContact C-O 3.49Å; F262-L267 HydrophobicContact CB-CB 4.42Å; F262-L267 VanDerWaalsContact CB-O 3.3Å; F262-L267 WeakPolarHBondContact CB-O 3.43Å; F262-L267 HydrophobicContact CD2-CB 4.25Å; F262-L267 HydrophobicContact CG-CB 4.17Å; F262-L267 PolarHBondContact O-N 3.32Å; F262-K270 HydrophobicContact CZ-CB 4.19Å
263S88.3Confident87.2Confident86 Ų8689 Ų8960%0.60147%0.468SS*.G310 helixtrans-61.7-4217750.40000113.1H261 V265 A266H261-S263 VanDerWaalsContact C-N 3.33Å; H261-S263 PolarHBondContact O-N 2.89Å; S263-V265 PolarHBondContact O-N 3.48Å; S263-A266 PolarHBondContact O-N 3.24Å
264C89.6Confident87.4Confident48 Ų4887.2 Ų87.232%0.32445%0.454SS..G310 helixtrans-70.3-12.4-179.6-63.10000114.3C237 Y244 H261 F262C237-C264 WeakPolarHBondContact SG-CB 3.18Å; Y244-C264 PolarHBondContact OH-SG 3.17Å; H261-C264 HydrophobicContact CB-CB 4.18Å; H261-C264 PolarHBondContact O-N 2.98Å; H261-C264 VanDerWaalsContact O-N 3.12Å; F262-C264 PolarHBondContact O-N 3.44Å
265V89.6Confident87.8Confident23 Ų2379.6 Ų79.614%0.13942%0.418CS..G310 helixtrans-123.320.9174.1-59.70000113.2I248 F260 H261 F262 S263 L267 W275 P278I248-V265 HydrophobicContact CG2-CG2 4.06Å; F260-V265 HydrophobicContact CB-CG1 3.81Å; F260-V265 HydrophobicContact CB-CG2 4.38Å; F260-V265 HydrophobicContact CD1-CG1 3.97Å; F260-V265 HydrophobicContact CG-CG1 4.16Å; H261-V265 WeakPolarHBondContact O-CG2 3.12Å; H261-V265 PolarHBondContact O-N 3.04Å; F262-V265 CarbonylContact O-C 3.57Å; F262-V265 PolarHBondContact O-N 2.77Å; S263-V265 PolarHBondContact O-N 3.48Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 HydrophobicContact CG2-CD1 3.86Å; V265-L267 HydrophobicContact CG2-CG 4.03Å; V265-L267 PolarHBondContact O-N 2.9Å; V265-W275 HydrophobicContact CB-CH2 4.29Å; V265-W275 HydrophobicContact CB-CZ2 3.89Å; V265-W275 HydrophobicContact CG1-CH2 4.08Å; V265-W275 HydrophobicContact CG1-CZ2 4.15Å; V265-W275 HydrophobicContact CG2-CH2 4.01Å; V265-W275 HydrophobicContact CG2-CZ2 3.66Å; V265-P278 HydrophobicContact CG1-CG 4.42Å
266A88.1Confident88Confident85 Ų8581.1 Ų81.170%0.70242%0.423SS*.THydrogen-bonded Turntrans52.142.4177.200000114.4F262 S263F262-A266 PolarHBondContact O-N 3.42Å; F262-A266 VanDerWaalsContact O-N 3.12Å; S263-A266 PolarHBondContact O-N 3.24Å
267L85.6Confident88.4Confident33 Ų3372.7 Ų72.717%0.17338%0.379CS..  trans-107.3134.4170.3-66.7175.3000109.8I248 F262 V265 P271 W275I248-L267 HydrophobicContact CB-CD1 4.49Å; I248-L267 HydrophobicContact CD1-CD1 3.64Å; I248-L267 HydrophobicContact CG2-CD1 3.99Å; F262-L267 CarbonylContact C-O 3.49Å; F262-L267 HydrophobicContact CB-CB 4.42Å; F262-L267 VanDerWaalsContact CB-O 3.3Å; F262-L267 WeakPolarHBondContact CB-O 3.43Å; F262-L267 HydrophobicContact CD2-CB 4.25Å; F262-L267 HydrophobicContact CG-CB 4.17Å; F262-L267 PolarHBondContact O-N 3.32Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 HydrophobicContact CG2-CD1 3.86Å; V265-L267 HydrophobicContact CG2-CG 4.03Å; V265-L267 PolarHBondContact O-N 2.9Å; L267-P271 HydrophobicContact CD1-CG 4.44Å; L267-W275 HydrophobicContact CD1-CZ2 4.35Å
268H84Confident88.4Confident155 Ų15574.1 Ų74.172%0.71839%0.391SS*.SBendtrans-105.6-14.3170.7-65.5-78.5000113
269H86.8Confident88Confident154 Ų15476.2 Ų76.271%0.71340%0.398SS*.SBendtrans-145.5153.2179.2-61.8-45.9000110.7P271H269-P271 WeakPolarHBondContact O-CD 3.24Å
270K88.4Confident87.6Confident178 Ų17872.1 Ų72.177%0.77439%0.387SS*.PPolyproline II helixtrans-59.9118.6175.7-175.2171.8-177.7169.80110.8F262F262-K270 HydrophobicContact CZ-CB 4.19Å
271P86.4Confident86.9Confident41 Ų4179 Ų7927%0.26641%0.413SS..PPolyproline II helixtrans-66.3150.9178.428-33.9000111.1I248 L267 H269 W275I248-P271 VanDerWaalsContact CD1-CD 3.45Å; I248-P271 HydrophobicContact CD1-CG 3.41Å; I248-P271 VanDerWaalsContact CD1-CG 3.41Å; L267-P271 HydrophobicContact CD1-CG 4.44Å; H269-P271 WeakPolarHBondContact O-CD 3.24Å; P271-W275 HydrophobicContact CG-CB 3.9Å; P271-W275 HydrophobicContact CG-CG 4.05Å
272K82.3Confident85.5Confident214 Ų21481.5 Ų81.593%0.9344%0.439SS*.SBendtrans-89120.3177-65.6179.6-178.4175.30109.7
273G85.6Confident83.5Confident67 Ų6787.4 Ų87.469%0.69147%0.467SS*.SBendtrans97.9-158.7-177.600000112.3
274K86.5Confident81.8Confident104 Ų10487.2 Ų87.245%0.45246%0.459SS..  trans-77139.1-176.3-73-174.4156.8-810112D251 F276 L292D251-K274 HydrophobicContact CB-CB 4.18Å; D251-K274 HydrophobicContact CB-CD 4.42Å; D251-K274 HydrophobicContact CB-CG 4.26Å; D251-K274 IonicContact OD1-NZ 3.56Å; D251-K274 PolarHBondContact OD1-NZ 2.97Å; D251-K274 WeakPolarHBondContact OD2-CA 3.35Å; K274-F276 HydrophobicContact CB-CE2 4.16Å; K274-F276 HydrophobicContact CB-CZ 4.33Å; K274-F276 HydrophobicContact CD-CZ 4.43Å; K274-L292 HydrophobicContact CD-CD2 3.72Å
275W90.7Very high80.1Confident12 Ų1292.7 Ų92.75%0.04548%0.48CS..  trans-125.3144.5175.7-177.192000111.6I248 C250 D251 F260 V265 L267 P271 C277I248-W275 HydrophobicContact CB-CE3 4.42Å; I248-W275 HydrophobicContact CD1-CB 3.68Å; I248-W275 HydrophobicContact CD1-CD2 3.54Å; I248-W275 HydrophobicContact CD1-CE3 3.85Å; I248-W275 HydrophobicContact CD1-CG 3.46Å; I248-W275 VanDerWaalsContact CD1-CG 3.46Å; I248-W275 HydrophobicContact CG1-CB 4.41Å; I248-W275 HydrophobicContact CG1-CD2 3.98Å; I248-W275 HydrophobicContact CG1-CE3 3.72Å; I248-W275 HydrophobicContact CG1-CG 4.29Å; I248-W275 HydrophobicContact CG1-CZ3 4.26Å; I248-W275 HydrophobicContact CG2-CD2 4.26Å; I248-W275 HydrophobicContact CG2-CE3 3.91Å; I248-W275 HydrophobicContact CG2-CH2 3.69Å; I248-W275 HydrophobicContact CG2-CZ2 4.08Å; I248-W275 HydrophobicContact CG2-CZ3 3.61Å; C250-W275 HydrophobicContact CB-CE3 4.43Å; C250-W275 HydrophobicContact CB-CZ3 4.11Å; D251-W275 WeakPolarHBondContact CB-O 3.48Å; D251-W275 PolarHBondContact N-O 3.49Å; D251-W275 PolarHBondContact OD2-N 3.47Å; F260-W275 HydrophobicContact CB-CH2 4.05Å; F260-W275 HydrophobicContact CB-CZ3 4.48Å; F260-W275 AromaticContact CD2-CH2 3.94Å; F260-W275 HydrophobicContact CD2-CH2 3.94Å; F260-W275 AromaticContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CE2-CZ3 4.47Å; F260-W275 AromaticContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CZ3 4.3Å; V265-W275 HydrophobicContact CB-CH2 4.29Å; V265-W275 HydrophobicContact CB-CZ2 3.89Å; V265-W275 HydrophobicContact CG1-CH2 4.08Å; V265-W275 HydrophobicContact CG1-CZ2 4.15Å; V265-W275 HydrophobicContact CG2-CH2 4.01Å; V265-W275 HydrophobicContact CG2-CZ2 3.66Å; L267-W275 HydrophobicContact CD1-CZ2 4.35Å; P271-W275 HydrophobicContact CG-CB 3.9Å; P271-W275 HydrophobicContact CG-CG 4.05Å; W275-C277 VanDerWaalsContact CH2-CA 3.43Å; W275-C277 HydrophobicContact CH2-CB 3.67Å; W275-C277 HydrophobicContact CZ3-CB 3.88Å
276F89.6Confident78.4Confident42 Ų42100.5 Ų100.518%0.18451%0.512CS..  trans-132.7140-177-60.2-75.5000108.2D251 N252 K274 C280 R281D251-F276 HydrophobicContact CB-CD1 4.05Å; D251-F276 HydrophobicContact CB-CE1 3.63Å; D251-F276 HydrophobicContact CB-CZ 4.06Å; D251-F276 WeakPolarHBondContact O-CE1 3.36Å; N252-F276 HydrophobicContact CB-CD1 3.96Å; N252-F276 HydrophobicContact CB-CE1 4.18Å; K274-F276 HydrophobicContact CB-CE2 4.16Å; K274-F276 HydrophobicContact CB-CZ 4.33Å; K274-F276 HydrophobicContact CD-CZ 4.43Å; F276-C280 HydrophobicContact CB-CB 4.39Å; F276-R281 HydrophobicContact CB-CG 3.66Å; F276-R281 WeakPolarHBondContact O-CD 3.35Å; F276-R281 WeakPolarHBondContact O-CG 3.5Å; F276-R281 PolarHBondContact O-NE 3.08Å
277C88.6Confident76.7Confident0 Ų0100.6 Ų100.60%050%0.504CS..  trans-72.2164.4-178.274.80000112.3C250 C255 F260 W275 K279 C280 R281C250-C277 HydrophobicContact CB-CB 4.23Å; C250-C277 PolarHBondContact SG-N 2.88Å; C250-C277 VanDerWaalsContact SG-N 3.36Å; C255-C277 VanDerWaalsContact SG-SG 3.67Å; F260-C277 HydrophobicContact CD1-CB 4.16Å; F260-C277 HydrophobicContact CD2-CB 3.86Å; F260-C277 HydrophobicContact CE1-CB 3.7Å; F260-C277 HydrophobicContact CE2-CB 3.37Å; F260-C277 HydrophobicContact CG-CB 4.26Å; F260-C277 HydrophobicContact CZ-CB 3.28Å; F260-C277 VanDerWaalsContact CZ-SG 3.51Å; W275-C277 VanDerWaalsContact CH2-CA 3.43Å; W275-C277 HydrophobicContact CH2-CB 3.67Å; W275-C277 HydrophobicContact CZ3-CB 3.88Å; C277-K279 PolarHBondContact O-N 2.86Å; C277-K279 VanDerWaalsContact O-N 3.16Å; C277-C280 CarbonylContact O-C 3.55Å; C277-C280 PolarHBondContact O-N 3.09Å; C277-C280 PolarHBondContact SG-N 2.95Å; C277-C280 VanDerWaalsContact SG-N 3.44Å; C277-C280 VanDerWaalsContact SG-SG 3.63Å; C277-R281 WeakPolarHBondContact O-CB 3.47Å; C277-R281 WeakPolarHBondContact O-CG 3.42Å; C277-R281 PolarHBondContact O-N 3.14Å
278P84.7Confident75.2Confident72 Ų72102.6 Ų102.647%0.46851%0.513SS..THydrogen-bonded Turntrans-53.5-37.1180-28.336.3000114L238 V265 R281L238-P278 HydrophobicContact CD1-CG 4.27Å; V265-P278 HydrophobicContact CG1-CG 4.42Å; P278-R281 PolarHBondContact O-N 2.82Å
279K80.9Confident74Confident151 Ų151100.8 Ų100.866%0.65751%0.509SS*.THydrogen-bonded Turntrans-67.5-37.9176-69.3-179.4173.9172.80112.7L238 I257 C277L238-K279 HydrophobicContact CD2-CD 3.82Å; L238-K279 HydrophobicContact CD2-CG 4.25Å; I257-K279 HydrophobicContact CD1-CD 4.45Å; C277-K279 PolarHBondContact O-N 2.86Å; C277-K279 VanDerWaalsContact O-N 3.16Å
280C84.1Confident72.7Confident30 Ų30101.7 Ų101.720%0.20351%0.511CS..THydrogen-bonded Turntrans-84.2-12.6177.7-67.10000114.1N252 C255 F276 C277N252-C280 HydrophobicContact CB-CB 4.26Å; C255-C280 VanDerWaalsContact SG-SG 3.64Å; F276-C280 HydrophobicContact CB-CB 4.39Å; C277-C280 CarbonylContact O-C 3.55Å; C277-C280 PolarHBondContact O-N 3.09Å; C277-C280 PolarHBondContact SG-N 2.95Å; C277-C280 VanDerWaalsContact SG-N 3.44Å; C277-C280 VanDerWaalsContact SG-SG 3.63Å
281R79.9Confident71.4Confident146 Ų14695.9 Ų95.955%0.55150%0.496SS*.THydrogen-bonded Turntrans-89.4-3.9179.4-80.8-174.1169-169.3-3.3115.4F276 C277 P278F276-R281 HydrophobicContact CB-CG 3.66Å; F276-R281 WeakPolarHBondContact O-CD 3.35Å; F276-R281 WeakPolarHBondContact O-CG 3.5Å; F276-R281 PolarHBondContact O-NE 3.08Å; C277-R281 WeakPolarHBondContact O-CB 3.47Å; C277-R281 WeakPolarHBondContact O-CG 3.42Å; C277-R281 PolarHBondContact O-N 3.14Å; P278-R281 PolarHBondContact O-N 2.82Å
282G64.1Low70.3Confident53 Ų5396.1 Ų96.155%0.54650%0.495SS..  trans-50.8136.3-166.600000115.6N284G282-N284 PolarHBondContact O-N 3.05Å
283E49.1Very low69.7Low141 Ų14191 Ų9166%0.65947%0.474SS*.SBendtrans19-18178-72-166.2109.300123.9K180K180-E283 WeakPolarHBondContact CE-OE2 3.43Å; K180-E283 IonicContact NZ-OE2 3.95Å; K180-E283 PolarHBondContact NZ-OE2 2.81Å
284N53.1Low69Low83 Ų8396.9 Ų96.944%0.44448%0.475SS..  trans-123.558-171.1-63.3-27.2000111.7G282 K286 T287G282-N284 PolarHBondContact O-N 3.05Å; N284-K286 PolarHBondContact O-N 3.48Å; N284-T287 PolarHBondContact O-N 3.37Å; N284-T287 PolarHBondContact O-OG1 2.82Å
285E55.2Low68.2Low162 Ų16294.1 Ų94.176%0.75747%0.472SS*.THydrogen-bonded Turntrans-42.3-31.7177-174.9177.5-134.500114.5T287E285-T287 VanDerWaalsContact C-N 3.35Å; E285-T287 PolarHBondContact O-N 3.45Å
286K52.5Low67.5Low187 Ų18798.8 Ų98.881%0.81349%0.493SS*.THydrogen-bonded Turntrans-83.4-0.8-170.9-58.8-177.9-178.4179.30115.4N284N284-K286 PolarHBondContact O-N 3.48Å
287T52.3Low66.8Low88 Ų88104.6 Ų104.654%0.5452%0.518SS..THydrogen-bonded Turntrans-95.2-30-177.8-10.50000112.8N284 E285 K290N284-T287 PolarHBondContact O-N 3.37Å; N284-T287 PolarHBondContact O-OG1 2.82Å; E285-T287 VanDerWaalsContact C-N 3.35Å; E285-T287 PolarHBondContact O-N 3.45Å; T287-K290 PolarHBondContact O-N 3.02Å
288M55.3Low66.1Low75 Ų75110.2 Ų110.237%0.36954%0.544SS..Hα-helixtrans-76.5-39-168.1-63.4-57.4-76.400113.7N252 K290 A291 L292N252-M288 WeakPolarHBondContact OD1-CE 3.49Å; M288-K290 PolarHBondContact O-N 3.49Å; M288-K290 VanDerWaalsContact O-N 3.14Å; M288-A291 PolarHBondContact O-N 3.45Å; M288-A291 VanDerWaalsContact O-N 3.09Å; M288-L292 WeakPolarHBondContact O-CB 3.16Å; M288-L292 PolarHBondContact O-N 2.91Å
289D58.6Low65.6Low116 Ų116115.7 Ų115.762%0.6256%0.556SS**Hα-helixtrans-54.4-36.2174.5-73.4-32.8000112.1L292 E293D289-L292 PolarHBondContact O-N 3.26Å; D289-E293 WeakPolarHBondContact O-CB 3.34Å; D289-E293 WeakPolarHBondContact O-CG 3.42Å; D289-E293 PolarHBondContact O-N 2.93Å
290K59.1Low65.3Low174 Ų174112 Ų11276%0.75755%0.553SS**Hα-helixtrans-74.8-29.9-177.4-146.4172.7-172177.30112.8T287 M288 R294T287-K290 PolarHBondContact O-N 3.02Å; M288-K290 PolarHBondContact O-N 3.49Å; M288-K290 VanDerWaalsContact O-N 3.14Å; K290-R294 WeakPolarHBondContact O-CB 3.41Å; K290-R294 PolarHBondContact O-N 3Å
291A61.8Low64.9Low56 Ų56120 Ų12046%0.46358%0.581SS.*Hα-helixtrans-74.3-43.4171.300000110.9M288 E293 R294 A295M288-A291 PolarHBondContact O-N 3.45Å; M288-A291 VanDerWaalsContact O-N 3.09Å; A291-E293 PolarHBondContact O-N 3.49Å; A291-R294 WeakPolarHBondContact O-CB 3.38Å; A291-R294 PolarHBondContact O-N 3.16Å; A291-R294 VanDerWaalsContact O-N 3.16Å; A291-A295 PolarHBondContact O-N 3.49Å
292L62.6Low64.2Low46 Ų46119.2 Ų119.224%0.24159%0.587CS.*Hα-helixtrans-62.4-43.8179.3-155.581.1000112.2K274 M288 D289 A295 K296K274-L292 HydrophobicContact CD-CD2 3.72Å; M288-L292 WeakPolarHBondContact O-CB 3.16Å; M288-L292 PolarHBondContact O-N 2.91Å; D289-L292 PolarHBondContact O-N 3.26Å; L292-A295 PolarHBondContact O-N 2.95Å; L292-K296 WeakPolarHBondContact O-CG 3.46Å; L292-K296 PolarHBondContact O-N 3.44Å
293E69Low63.9Low105 Ų105130.1 Ų130.149%0.49161%0.612SS.*Hα-helixtrans-69.1-32174-72.7-55.712600112.7D289 A291 K296 K297D289-E293 WeakPolarHBondContact O-CB 3.34Å; D289-E293 WeakPolarHBondContact O-CG 3.42Å; D289-E293 PolarHBondContact O-N 2.93Å; A291-E293 PolarHBondContact O-N 3.49Å; E293-K296 WeakPolarHBondContact OE1-CD 3.46Å; E293-K296 WeakPolarHBondContact OE1-CE 3.41Å; E293-K296 IonicContact OE1-NZ 2.87Å; E293-K296 PolarHBondContact OE1-NZ 3.43Å; E293-K297 VanDerWaalsContact O-CB 3.24Å; E293-K297 WeakPolarHBondContact O-CB 3.39Å; E293-K297 PolarHBondContact O-N 3.09Å
294R70.7Confident64.6Low191 Ų191129.6 Ų129.672%0.72161%0.61SS**Hα-helixtrans-65.6-46.5173.4-172.2176.1-176.5167.80.9111.2K290 A291 K297 E298K290-R294 WeakPolarHBondContact O-CB 3.41Å; K290-R294 PolarHBondContact O-N 3Å; A291-R294 WeakPolarHBondContact O-CB 3.38Å; A291-R294 PolarHBondContact O-N 3.16Å; A291-R294 VanDerWaalsContact O-N 3.16Å; R294-K297 PolarHBondContact O-N 2.65Å; R294-E298 WeakPolarHBondContact O-CB 3.24Å; R294-E298 PolarHBondContact O-N 3.43Å
295A69.9Low65.3Low47 Ų47132.1 Ų132.139%0.38862%0.618SS.*Hα-helixtrans-64.6-39.1177.600000112.7A291 L292 E298 R299A291-A295 PolarHBondContact O-N 3.49Å; L292-A295 PolarHBondContact O-N 2.95Å; A295-E298 PolarHBondContact O-N 3.21Å; A295-R299 PolarHBondContact O-N 2.91Å
296K76.3Confident65.8Low109 Ų109130.4 Ų130.447%0.47461%0.611SS.*Hα-helixtrans-60.8-46.9170.4-74.6177-168.9169.60111.7L292 E293 E298 R299 A300L292-K296 WeakPolarHBondContact O-CG 3.46Å; L292-K296 PolarHBondContact O-N 3.44Å; E293-K296 WeakPolarHBondContact OE1-CD 3.46Å; E293-K296 WeakPolarHBondContact OE1-CE 3.41Å; E293-K296 IonicContact OE1-NZ 2.87Å; E293-K296 PolarHBondContact OE1-NZ 3.43Å; K296-E298 VanDerWaalsContact C-N 3.3Å; K296-E298 PolarHBondContact O-N 3.09Å; K296-R299 PolarHBondContact O-N 3.29Å; K296-A300 VanDerWaalsContact O-CB 3.3Å; K296-A300 WeakPolarHBondContact O-CB 3.3Å; K296-A300 PolarHBondContact O-N 2.92Å
297K75.5Confident66.6Low165 Ų165127.1 Ų127.172%0.71760%0.599SS**Hα-helixtrans-64.6-34.5-179.2-172.5171.6-177.7176.40112.3E293 R294 A300 Y301E293-K297 VanDerWaalsContact O-CB 3.24Å; E293-K297 WeakPolarHBondContact O-CB 3.39Å; E293-K297 PolarHBondContact O-N 3.09Å; R294-K297 PolarHBondContact O-N 2.65Å; K297-A300 PolarHBondContact O-N 3.47Å; K297-Y301 WeakPolarHBondContact O-CB 3.4Å; K297-Y301 PolarHBondContact O-N 3.06Å
298E73.6Confident67.5Low117 Ų117129.5 Ų129.555%0.54760%0.602SS.*Hα-helixtrans-71.7-45.6175.6-171.8164.4-166.700112.1R294 A295 K296 A300 Y301 N302R294-E298 WeakPolarHBondContact O-CB 3.24Å; R294-E298 PolarHBondContact O-N 3.43Å; A295-E298 PolarHBondContact O-N 3.21Å; K296-E298 VanDerWaalsContact C-N 3.3Å; K296-E298 PolarHBondContact O-N 3.09Å; E298-A300 PolarHBondContact O-N 3.4Å; E298-Y301 PolarHBondContact O-N 3.08Å; E298-Y301 VanDerWaalsContact O-N 3.08Å; E298-N302 PolarHBondContact O-N 3.05Å; E298-N302 VanDerWaalsContact O-N 3.09Å
299R74.4Confident68.3Low188 Ų188133.1 Ų133.171%0.70962%0.618SS**Hα-helixtrans-62.2-27.7171.1-74.7-175.3-178.4159.96.6113.3A295 K296A295-R299 PolarHBondContact O-N 2.91Å; K296-R299 PolarHBondContact O-N 3.29Å
300A73.6Confident69Low74 Ų74134.4 Ų134.461%0.61262%0.618SS**THydrogen-bonded Turntrans-83.8-13.817500000114K296 K297 E298K296-A300 VanDerWaalsContact O-CB 3.3Å; K296-A300 WeakPolarHBondContact O-CB 3.3Å; K296-A300 PolarHBondContact O-N 2.92Å; K297-A300 PolarHBondContact O-N 3.47Å; E298-A300 PolarHBondContact O-N 3.4Å
301Y76.5Confident69.8Low198 Ų198131.3 Ų131.378%0.77661%0.607SS**THydrogen-bonded Turntrans-92.9-29.9176.2-176.6-102.8000112.2K297 E298 R303K297-Y301 WeakPolarHBondContact O-CB 3.4Å; K297-Y301 PolarHBondContact O-N 3.06Å; E298-Y301 PolarHBondContact O-N 3.08Å; E298-Y301 VanDerWaalsContact O-N 3.08Å; Y301-R303 VanDerWaalsContact C-N 3.28Å; Y301-R303 PolarHBondContact O-N 3.38Å
302N65.8Low70.4Confident128 Ų128137.6 Ų137.668%0.68462%0.619SS**  trans-89.127177.1-71.6-2.9000113.5E298E298-N302 PolarHBondContact O-N 3.05Å; E298-N302 VanDerWaalsContact O-N 3.09Å
303R57.2Low71.1Confident283 Ų283145.9 Ų145.9100%1.06865%0.653SS**  trans-140.10-177-162.8-173.8-137.7-138.66111.9Y301Y301-R303 VanDerWaalsContact C-N 3.28Å; Y301-R303 PolarHBondContact O-N 3.38Å

Retrieved 303 of 303 residues in 773.6 ms (Link to these results)