A0A077ZGI1_TRITR Loading...

protein-ribulosamine 3-kinase

AlphaFold DB , UniProt , Accession A0A077ZGI1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M57.5Low90.1Very high224 Ų22483 Ų83100%1.10344%0.441SS*.  0108.10-75.7177.9-172.500107.8
2S76.7Confident90.7Very high98 Ų9877.7 Ų77.769%0.68541%0.411SS*.  trans-76.8138.1171.347.50000108.9R65S2-R65 PolarHBondContact O-NH1 2.67Å; S2-R65 VanDerWaalsContact O-NH1 3.09Å; S2-R65 PolarHBondContact O-NH2 2.95Å
3F82.8Confident91.3Very high119 Ų11978 Ų7852%0.52240%0.404SS..  trans-96.4147.8155.873.1-87000107.1P5F3-P5 HydrophobicContact CD2-CG 4.26Å; F3-P5 HydrophobicContact CE2-CB 4.25Å; F3-P5 HydrophobicContact CE2-CG 3.72Å; F3-P5 HydrophobicContact CZ-CG 4.47Å
4E90.4Very high91.6Very high165 Ų16576.7 Ų76.777%0.77141%0.405SS*.  trans-97.2114.9171.7-173.2170.2-176.800107.7T6E4-T6 PolarHBondContact O-N 2.9Å; E4-T6 VanDerWaalsContact O-N 3.1Å; E4-T6 PolarHBondContact O-OG1 3.01Å
5P95.8Very high92Very high69 Ų6973.5 Ų73.545%0.44840%0.397SS..  trans-56118.4175.5-20.729.9000109.9F3 Y34F3-P5 HydrophobicContact CD2-CG 4.26Å; F3-P5 HydrophobicContact CE2-CB 4.25Å; F3-P5 HydrophobicContact CE2-CG 3.72Å; F3-P5 HydrophobicContact CZ-CG 4.47Å; P5-Y34 HydrophobicContact CB-CD1 4.34Å
6T96.5Very high92.4Very high50 Ų5069.5 Ų69.531%0.30738%0.376SS..EExtended strand (participates in β ladder)trans-104.7143.4-179.4-54.70000108.8E4 L8 Y34 G35 R37E4-T6 PolarHBondContact O-N 2.9Å; E4-T6 VanDerWaalsContact O-N 3.1Å; E4-T6 PolarHBondContact O-OG1 3.01Å; T6-L8 PolarHBondContact O-N 2.9Å; T6-Y34 WeakPolarHBondContact O-CA 3.31Å; T6-G35 PolarHBondContact N-O 3.28Å; T6-G35 PolarHBondContact O-N 3.47Å; T6-R37 HydrophobicContact CG2-CB 4.1Å
7L98.1Very high92.7Very high104 Ų10466.9 Ų66.955%0.54536%0.363SS..EExtended strand (participates in β ladder)trans-64.9116.3170.8-176.967.7000108.8V32 Y34L7-V32 HydrophobicContact CD1-CG1 3.43Å; L7-V32 VanDerWaalsContact CD1-CG1 3.43Å; L7-V32 HydrophobicContact CG-CG1 4.45Å; L7-Y34 HydrophobicContact CB-CE1 4.14Å; L7-Y34 HydrophobicContact CD1-CE1 4.5Å; L7-Y34 HydrophobicContact CD1-CE2 4.15Å
8L98.4Very high92.9Very high8 Ų868.7 Ų68.74%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-98.6145.8-179.9-54.6-178.7000110.4T6 V32 S33 V39 D40T6-L8 PolarHBondContact O-N 2.9Å; L8-V32 WeakPolarHBondContact O-CA 3.22Å; L8-S33 PolarHBondContact N-O 3.01Å; L8-V39 HydrophobicContact CD1-CB 3.89Å; L8-V39 HydrophobicContact CD1-CG1 3.99Å; L8-V39 HydrophobicContact CD1-CG2 4.48Å; L8-D40 VanDerWaalsContact CA-OD2 3.3Å; L8-D40 WeakPolarHBondContact CA-OD2 3.31Å
9H98.5Very high93.2Very high27 Ų2772.5 Ų72.513%0.12538%0.38CS..  trans-67.9-41.6163.3-178.6-85.7000110.7D11 F12 I28 P30 V31 D40H9-D11 VanDerWaalsContact C-N 3.26Å; H9-D11 PolarHBondContact CE1-O 3.34Å; H9-D11 VanDerWaalsContact CE1-O 3.31Å; H9-D11 PolarHBondContact ND1-N 3.45Å; H9-D11 PolarHBondContact ND1-O 2.9Å; H9-D11 PolarHBondContact O-N 2.89Å; H9-F12 HydrophobicContact CB-CB 4.07Å; H9-F12 PolarHBondContact ND1-N 3.18Å; H9-I28 PolarHBondContact CE1-O 2.93Å; H9-I28 PolarHBondContact NE2-O 3.43Å; H9-P30 CarbonylContact O-C 3.32Å; H9-P30 WeakPolarHBondContact O-CA 3.49Å; H9-V31 CarbonylContact O-C 3.58Å; H9-V31 VanDerWaalsContact O-C 3.32Å; H9-V31 PolarHBondContact O-N 3.42Å; H9-D40 PolarHBondContact N-OD1 3.37Å; H9-D40 PolarHBondContact N-OD2 3.48Å
10G97.9Very high93.4Very high9 Ų972.1 Ų72.19%0.09338%0.378CS..SBendtrans82.4-15172.300000116D40 Y79G10-D40 PolarHBondContact N-OD1 2.96Å; G10-Y79 WeakPolarHBondContact O-CE1 3.45Å; G10-Y79 PolarHBondContact O-OH 2.85Å
11D98.1Very high93.6Very high40 Ų4075.8 Ų75.821%0.21440%0.404CS..SBendtrans-13649170.1-168.521.5000111H9 W13 N16 V31 M43H9-D11 VanDerWaalsContact C-N 3.26Å; H9-D11 PolarHBondContact CE1-O 3.34Å; H9-D11 VanDerWaalsContact CE1-O 3.31Å; H9-D11 PolarHBondContact ND1-N 3.45Å; H9-D11 PolarHBondContact ND1-O 2.9Å; H9-D11 PolarHBondContact O-N 2.89Å; D11-W13 PolarHBondContact O-N 2.97Å; D11-W13 VanDerWaalsContact O-N 3.13Å; D11-N16 PolarHBondContact O-ND2 3.2Å; D11-N16 PolarHBondContact OD2-ND2 3.11Å; D11-V31 HydrophobicContact CB-CG2 4.06Å; D11-M43 WeakPolarHBondContact OD1-CE 3.43Å
12F98.2Very high95.6Very high19 Ų1972.7 Ų72.78%0.08339%0.387CS..  trans-86.578.5-167.3-171.5-128.2000113.2H9 F27 D40 M43 S44 F50 F54H9-F12 HydrophobicContact CB-CB 4.07Å; H9-F12 PolarHBondContact ND1-N 3.18Å; F12-F27 HydrophobicContact CD2-CD1 4.32Å; F12-F27 AromaticContact CE2-CD1 3.62Å; F12-F27 HydrophobicContact CE2-CD1 3.62Å; F12-F27 AromaticContact CE2-CE1 3.45Å; F12-F27 HydrophobicContact CE2-CE1 3.45Å; F12-F27 VanDerWaalsContact CE2-CE1 3.45Å; F12-F27 HydrophobicContact CE2-CG 4.41Å; F12-F27 HydrophobicContact CE2-CZ 4.12Å; F12-F27 HydrophobicContact CZ-CE1 4.02Å; F12-F27 HydrophobicContact CZ-CZ 4.4Å; F12-D40 HydrophobicContact CB-CB 4.02Å; F12-D40 HydrophobicContact CD1-CB 3.98Å; F12-D40 HydrophobicContact CG-CB 4.34Å; F12-M43 CarbonylContact O-C 3.44Å; F12-S44 WeakPolarHBondContact O-CA 3.37Å; F12-S44 PolarHBondContact O-N 3.13Å; F12-F50 HydrophobicContact CD1-CE2 4.39Å; F12-F50 AromaticContact CE1-CE2 3.68Å; F12-F50 HydrophobicContact CE1-CE2 3.68Å; F12-F50 HydrophobicContact CE1-CZ 4.43Å; F12-F50 HydrophobicContact CE2-CE2 4.1Å; F12-F50 HydrophobicContact CE2-CZ 4.29Å; F12-F50 AromaticContact CZ-CE2 3.52Å; F12-F50 HydrophobicContact CZ-CE2 3.52Å; F12-F50 HydrophobicContact CZ-CZ 4.16Å; F12-F54 HydrophobicContact CE1-CE1 4.44Å; F12-F54 HydrophobicContact CE1-CE2 4.19Å; F12-F54 AromaticContact CE1-CZ 3.68Å; F12-F54 HydrophobicContact CE1-CZ 3.68Å; F12-F54 HydrophobicContact CZ-CE2 4.38Å; F12-F54 HydrophobicContact CZ-CZ 4.32Å
13W97.9Very high96.5Very high82 Ų8270.1 Ų70.131%0.31138%0.375SS..SBendtrans-127178.4175.371.7-69.9000111.9D11 G15 N16 T17 M43 F47D11-W13 PolarHBondContact O-N 2.97Å; D11-W13 VanDerWaalsContact O-N 3.13Å; W13-G15 VanDerWaalsContact C-N 3.27Å; W13-G15 VanDerWaalsContact CE3-N 3.26Å; W13-G15 PolarHBondContact O-N 3.35Å; W13-N16 PolarHBondContact NE1-ND2 3.15Å; W13-N16 PolarHBondContact O-N 3.45Å; W13-T17 PolarHBondContact O-N 3.2Å; W13-T17 PolarHBondContact O-OG1 3.24Å; W13-T17 VanDerWaalsContact O-OG1 3.05Å; W13-M43 HydrophobicContact CB-CE 3.88Å; W13-M43 HydrophobicContact CB-CG 4.18Å; W13-M43 HydrophobicContact CG-CE 3.84Å; W13-F47 HydrophobicContact CD2-CD2 4.42Å; W13-F47 HydrophobicContact CE3-CB 4.28Å; W13-F47 HydrophobicContact CE3-CD2 4.24Å
14S96.1Very high97.2Very high60 Ų6069.7 Ų69.742%0.4238%0.375SS..G310 helixtrans-63.8-29.4-172.851.70000113.9N16 T17S14-N16 PolarHBondContact O-N 3.11Å; S14-T17 PolarHBondContact O-N 3.18Å
15G96.6Very high97.5Very high28 Ų2865 Ų6529%0.28936%0.359SS..G310 helixtrans-67.1-21.9174.900000114.1W13 F18W13-G15 VanDerWaalsContact C-N 3.27Å; W13-G15 VanDerWaalsContact CE3-N 3.26Å; W13-G15 PolarHBondContact O-N 3.35Å; G15-F18 WeakPolarHBondContact O-CE2 3.47Å; G15-F18 WeakPolarHBondContact O-CZ 3.35Å
16N98.1Very high97.6Very high10 Ų1064.6 Ų64.65%0.05336%0.355CS..G310 helixtrans-108.88.4-178.1-71.1-11.3000113D11 W13 S14 F27 I28D11-N16 PolarHBondContact O-ND2 3.2Å; D11-N16 PolarHBondContact OD2-ND2 3.11Å; W13-N16 PolarHBondContact NE1-ND2 3.15Å; W13-N16 PolarHBondContact O-N 3.45Å; S14-N16 PolarHBondContact O-N 3.11Å; N16-F27 WeakPolarHBondContact O-CA 3.4Å; N16-I28 HydrophobicContact CB-CG1 4.35Å; N16-I28 WeakPolarHBondContact CB-O 3.23Å; N16-I28 PolarHBondContact O-N 2.95Å; N16-I28 VanDerWaalsContact O-N 3.12Å
17T97.6Very high97.7Very high25 Ų2567.1 Ų67.115%0.15336%0.362CS..EExtended strand (participates in β ladder)trans-120.1117.3-177.3-58.70000110.9W13 S14 F27 F50W13-T17 PolarHBondContact O-N 3.2Å; W13-T17 PolarHBondContact O-OG1 3.24Å; W13-T17 VanDerWaalsContact O-OG1 3.05Å; S14-T17 PolarHBondContact O-N 3.18Å; T17-F27 HydrophobicContact CG2-CD1 4.06Å; T17-F27 HydrophobicContact CG2-CE1 3.83Å; T17-F50 HydrophobicContact CG2-CZ 4.18Å; T17-F50 WeakPolarHBondContact OG1-CZ 3.45Å
18F97.4Very high97.7Very high100 Ų10065.3 Ų65.344%0.43935%0.352SS..EExtended strand (participates in β ladder)trans-126.5178-177.4-61.1-89000110.5G15 P25 V26 I28G15-F18 WeakPolarHBondContact O-CE2 3.47Å; G15-F18 WeakPolarHBondContact O-CZ 3.35Å; F18-P25 CarbonylContact O-C 3.55Å; F18-P25 WeakPolarHBondContact O-CA 3.43Å; F18-V26 HydrophobicContact CB-CB 4.41Å; F18-V26 PolarHBondContact N-O 3.48Å; F18-V26 PolarHBondContact O-N 3.25Å; F18-I28 HydrophobicContact CD2-CD1 4.08Å; F18-I28 HydrophobicContact CD2-CG1 4.1Å; F18-I28 HydrophobicContact CE2-CD1 3.38Å; F18-I28 HydrophobicContact CE2-CG1 3.7Å; F18-I28 HydrophobicContact CZ-CD1 4.14Å
19F97.9Very high97.7Very high140 Ų14070.1 Ų70.161%0.61438%0.378SS*.EExtended strand (participates in β ladder)trans-131.2141.7171.7-63.2-91.5000109.1G23 Q24 P25F19-G23 WeakPolarHBondContact CD1-O 3.43Å; F19-Q24 CarbonylContact C-O 3.57Å; F19-Q24 VanDerWaalsContact CA-O 3.23Å; F19-Q24 WeakPolarHBondContact CA-O 3.48Å; F19-P25 HydrophobicContact CD1-CB 4.34Å; F19-P25 HydrophobicContact CE1-CB 4.11Å
20D98Very high97.7Very high65 Ų6572.4 Ų72.435%0.34840%0.395SS..  trans-74.2-177.8171.8748.2000111.8Q22 G23 Q24 V26D20-Q22 PolarHBondContact O-N 3.38Å; D20-Q22 VanDerWaalsContact OD1-C 3.31Å; D20-Q22 VanDerWaalsContact OD1-CA 3.3Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.47Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.36Å; D20-Q22 PolarHBondContact OD1-N 2.98Å; D20-G23 PolarHBondContact O-N 3.12Å; D20-G23 PolarHBondContact OD1-N 2.79Å; D20-Q24 PolarHBondContact N-O 3.38Å; D20-Q24 PolarHBondContact OD1-N 3.01Å; D20-V26 HydrophobicContact CB-CG2 3.97Å
21T97.8Very high97.7Very high150 Ų15076 Ų7692%0.9242%0.415SS*.THydrogen-bonded Turntrans-68.5-11179.854.50000114.1
22Q98Very high97.7Very high159 Ų15978.5 Ų78.574%0.74343%0.432SS*.THydrogen-bonded Turntrans-1002.8174.7-56.3-174.81600112.2D20 Q24D20-Q22 PolarHBondContact O-N 3.38Å; D20-Q22 VanDerWaalsContact OD1-C 3.31Å; D20-Q22 VanDerWaalsContact OD1-CA 3.3Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.47Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.36Å; D20-Q22 PolarHBondContact OD1-N 2.98Å; Q22-Q24 VanDerWaalsContact C-N 3.31Å; Q22-Q24 HydrophobicContact CB-CG 4.46Å
23G96.9Very high97.7Very high43 Ų4380.3 Ų80.344%0.44345%0.447SS..SBendtrans7517.1-177.400000113.9F19 D20F19-G23 WeakPolarHBondContact CD1-O 3.43Å; D20-G23 PolarHBondContact O-N 3.12Å; D20-G23 PolarHBondContact OD1-N 2.79Å
24Q97.2Very high97.7Very high110 Ų11084.5 Ų84.551%0.51446%0.464SS..  trans-82.1138.7172.6-60.3-55.8-64.800110.3F19 D20 Q22F19-Q24 CarbonylContact C-O 3.57Å; F19-Q24 VanDerWaalsContact CA-O 3.23Å; F19-Q24 WeakPolarHBondContact CA-O 3.48Å; D20-Q24 PolarHBondContact N-O 3.38Å; D20-Q24 PolarHBondContact OD1-N 3.01Å; Q22-Q24 VanDerWaalsContact C-N 3.31Å; Q22-Q24 HydrophobicContact CB-CG 4.46Å
25P96.7Very high97.7Very high66 Ų6682.4 Ų82.443%0.42945%0.451SS..EExtended strand (participates in β ladder)trans-65.7138.1-179.828-34.5000111.2F18 F19 F27F18-P25 CarbonylContact O-C 3.55Å; F18-P25 WeakPolarHBondContact O-CA 3.43Å; F19-P25 HydrophobicContact CD1-CB 4.34Å; F19-P25 HydrophobicContact CE1-CB 4.11Å; P25-F27 HydrophobicContact CB-CE1 3.99Å; P25-F27 HydrophobicContact CB-CZ 3.78Å; P25-F27 HydrophobicContact CG-CZ 4.31Å
26V98.2Very high97.7Very high61 Ų6183 Ų8337%0.3745%0.446SS..EExtended strand (participates in β ladder)trans-125.7131175.6179.70000108.1F18 D20F18-V26 HydrophobicContact CB-CB 4.41Å; F18-V26 PolarHBondContact N-O 3.48Å; F18-V26 PolarHBondContact O-N 3.25Å; D20-V26 HydrophobicContact CB-CG2 3.97Å
27F98Very high97.6Very high103 Ų10384 Ų8445%0.45245%0.45SS..EExtended strand (participates in β ladder)trans-115.7141.1-179.2-47.3-57.7000110.5F12 N16 T17 P25F12-F27 HydrophobicContact CD2-CD1 4.32Å; F12-F27 AromaticContact CE2-CD1 3.62Å; F12-F27 HydrophobicContact CE2-CD1 3.62Å; F12-F27 AromaticContact CE2-CE1 3.45Å; F12-F27 HydrophobicContact CE2-CE1 3.45Å; F12-F27 VanDerWaalsContact CE2-CE1 3.45Å; F12-F27 HydrophobicContact CE2-CG 4.41Å; F12-F27 HydrophobicContact CE2-CZ 4.12Å; F12-F27 HydrophobicContact CZ-CE1 4.02Å; F12-F27 HydrophobicContact CZ-CZ 4.4Å; N16-F27 WeakPolarHBondContact O-CA 3.4Å; T17-F27 HydrophobicContact CG2-CD1 4.06Å; T17-F27 HydrophobicContact CG2-CE1 3.83Å; P25-F27 HydrophobicContact CB-CE1 3.99Å; P25-F27 HydrophobicContact CB-CZ 3.78Å; P25-F27 HydrophobicContact CG-CZ 4.31Å
28I98.5Very high97.5Very high67 Ų6783 Ų8334%0.34444%0.443SS..  trans-133.9169.5-17868.3167.8000111.8H9 N16 F18H9-I28 PolarHBondContact CE1-O 2.93Å; H9-I28 PolarHBondContact NE2-O 3.43Å; N16-I28 HydrophobicContact CB-CG1 4.35Å; N16-I28 WeakPolarHBondContact CB-O 3.23Å; N16-I28 PolarHBondContact O-N 2.95Å; N16-I28 VanDerWaalsContact O-N 3.12Å; F18-I28 HydrophobicContact CD2-CD1 4.08Å; F18-I28 HydrophobicContact CD2-CG1 4.1Å; F18-I28 HydrophobicContact CE2-CD1 3.38Å; F18-I28 HydrophobicContact CE2-CG1 3.7Å; F18-I28 HydrophobicContact CZ-CD1 4.14Å
29D98.3Very high97.6Very high109 Ų10979.5 Ų79.558%0.58343%0.43SS*.SBendtrans51.554.9176.3-62.4-13.4000114.9
30P98.3Very high97.6Very high75 Ų7573.9 Ų73.949%0.48741%0.406SS..  trans-78.9151.8-17635.7-38.3000112.9H9 V32H9-P30 CarbonylContact O-C 3.32Å; H9-P30 WeakPolarHBondContact O-CA 3.49Å; P30-V32 HydrophobicContact CB-CG2 3.67Å; P30-V32 HydrophobicContact CG-CG2 4.02Å
31V97.6Very high97.6Very high85 Ų8570.9 Ų70.952%0.51539%0.39SS..  trans-11666.4166.5-1720000108.1H9 D11 S33H9-V31 CarbonylContact O-C 3.58Å; H9-V31 VanDerWaalsContact O-C 3.32Å; H9-V31 PolarHBondContact O-N 3.42Å; D11-V31 HydrophobicContact CB-CG2 4.06Å; V31-S33 PolarHBondContact O-N 2.81Å
32V98.1Very high97.6Very high92 Ų9263.8 Ų63.856%0.55835%0.346SS*.  trans-59.9132.5-166.8-177.60000112.5L7 L8 P30L7-V32 HydrophobicContact CD1-CG1 3.43Å; L7-V32 VanDerWaalsContact CD1-CG1 3.43Å; L7-V32 HydrophobicContact CG-CG1 4.45Å; L8-V32 WeakPolarHBondContact O-CA 3.22Å; P30-V32 HydrophobicContact CB-CG2 3.67Å; P30-V32 HydrophobicContact CG-CG2 4.02Å
33S97.7Very high97.6Very high57 Ų5756.2 Ų56.240%0.39931%0.311SS..EExtended strand (participates in β ladder)trans-152.2168.517161.70000111.5L8 V31L8-S33 PolarHBondContact N-O 3.01Å; V31-S33 PolarHBondContact O-N 2.81Å
34Y98.1Very high97.6Very high170 Ų17054.2 Ų54.267%0.66729%0.291SS*.EExtended strand (participates in β ladder)trans-98.7122.7165.6-79.4-87.5000109.3P5 T6 L7P5-Y34 HydrophobicContact CB-CD1 4.34Å; T6-Y34 WeakPolarHBondContact O-CA 3.31Å; L7-Y34 HydrophobicContact CB-CE1 4.14Å; L7-Y34 HydrophobicContact CD1-CE1 4.5Å; L7-Y34 HydrophobicContact CD1-CE2 4.15Å
35G96.2Very high97.6Very high15 Ų1551.7 Ų51.716%0.15528%0.279CS..EExtended strand (participates in β ladder)trans-161.6-161.6-175.200000113.4T6T6-G35 PolarHBondContact N-O 3.28Å; T6-G35 PolarHBondContact O-N 3.47Å
36H96.4Very high97.5Very high41 Ų4150.1 Ų50.119%0.1927%0.267CS..  trans-78.7123.8176.2-164-111.4000109.8E38 V39 Y75H36-E38 VanDerWaalsContact CE1-CG 3.43Å; H36-E38 WeakPolarHBondContact CE1-CG 3.36Å; H36-E38 IonicContact CE1-OE1 3.54Å; H36-E38 IonicContact CE1-OE2 3.68Å; H36-E38 PolarHBondContact CE1-OE2 2.74Å; H36-E38 VanDerWaalsContact CE1-OE2 3.3Å; H36-E38 WeakPolarHBondContact ND1-CB 3.35Å; H36-E38 IonicContact ND1-OE2 3.56Å; H36-E38 PolarHBondContact O-N 3.48Å; H36-V39 HydrophobicContact CB-CG2 4.35Å; H36-V39 WeakPolarHBondContact O-CB 3.26Å; H36-V39 VanDerWaalsContact O-CG2 3.26Å; H36-V39 WeakPolarHBondContact O-CG2 3.43Å; H36-V39 PolarHBondContact O-N 2.9Å; H36-Y75 AromaticContact ND1-CE2 3.53Å; H36-Y75 AromaticContact ND1-CZ 3.57Å; H36-Y75 PolarHBondContact ND1-OH 3.02Å; H36-Y75 VanDerWaalsContact ND1-OH 3.1Å
37R96.4Very high97.3Very high32 Ų3250 Ų5012%0.12126%0.261CS..THydrogen-bonded Turntrans-53.5-26.5-178.564.3-175.4-166.868.6-11.5115.4T6 V39 D40 Y58 L62 P63 M64T6-R37 HydrophobicContact CG2-CB 4.1Å; R37-V39 PolarHBondContact O-N 3.24Å; R37-D40 PolarHBondContact O-N 2.95Å; R37-Y58 WeakPolarHBondContact CD-OH 3.22Å; R37-Y58 PolarHBondContact NH1-OH 3.32Å; R37-L62 PolarHBondContact NH2-O 3.28Å; R37-P63 PolarHBondContact NH2-O 2.9Å; R37-M64 VanDerWaalsContact NH2-CG 3.27Å; R37-M64 VanDerWaalsContact NH2-N 3.18Å
38E97.1Very high97Very high2 Ų249.2 Ų49.21%0.00928%0.282CS..Hα-helixtrans-66.9-13.8176-64.5179.3-173.200112.9H36 L41 A42 M64 R71 L72 Y75H36-E38 VanDerWaalsContact CE1-CG 3.43Å; H36-E38 WeakPolarHBondContact CE1-CG 3.36Å; H36-E38 IonicContact CE1-OE1 3.54Å; H36-E38 IonicContact CE1-OE2 3.68Å; H36-E38 PolarHBondContact CE1-OE2 2.74Å; H36-E38 VanDerWaalsContact CE1-OE2 3.3Å; H36-E38 WeakPolarHBondContact ND1-CB 3.35Å; H36-E38 IonicContact ND1-OE2 3.56Å; H36-E38 PolarHBondContact O-N 3.48Å; E38-L41 PolarHBondContact O-N 3.17Å; E38-A42 WeakPolarHBondContact O-CB 3.36Å; E38-A42 PolarHBondContact O-N 3.27Å; E38-M64 HydrophobicContact CG-CG 4.18Å; E38-M64 HydrophobicContact CG-SD 3.77Å; E38-R71 IonicContact OE1-CZ 2.74Å; E38-R71 IonicContact OE1-NE 3.01Å; E38-R71 PolarHBondContact OE1-NE 3.41Å; E38-R71 IonicContact OE1-NH2 3.49Å; E38-R71 PolarHBondContact OE1-NH2 3.47Å; E38-R71 WeakPolarHBondContact OE2-CB 3.1Å; E38-R71 IonicContact OE2-CZ 3.51Å; E38-R71 IonicContact OE2-NE 3.57Å; E38-R71 PolarHBondContact OE2-NE 2.77Å; E38-R71 IonicContact OE2-NH2 2.78Å; E38-L72 HydrophobicContact CB-CD2 3.8Å; E38-L72 HydrophobicContact CG-CD2 4.36Å; E38-L72 WeakPolarHBondContact O-CD2 3.39Å; E38-Y75 HydrophobicContact CB-CD2 3.78Å; E38-Y75 HydrophobicContact CB-CE2 3.59Å
39V97.5Very high96.8Very high28 Ų2847.2 Ų47.217%0.1728%0.278CS..Hα-helixtrans-66.2-41.7175.4170.70000111.8L8 H36 R37 M43 Y75 Y79L8-V39 HydrophobicContact CD1-CB 3.89Å; L8-V39 HydrophobicContact CD1-CG1 3.99Å; L8-V39 HydrophobicContact CD1-CG2 4.48Å; H36-V39 HydrophobicContact CB-CG2 4.35Å; H36-V39 WeakPolarHBondContact O-CB 3.26Å; H36-V39 VanDerWaalsContact O-CG2 3.26Å; H36-V39 WeakPolarHBondContact O-CG2 3.43Å; H36-V39 PolarHBondContact O-N 2.9Å; R37-V39 PolarHBondContact O-N 3.24Å; V39-M43 PolarHBondContact O-N 3.15Å; V39-Y75 HydrophobicContact CG2-CD1 3.67Å; V39-Y75 HydrophobicContact CG2-CE1 3.93Å; V39-Y75 HydrophobicContact CG2-CG 4.01Å; V39-Y79 HydrophobicContact CG1-CE2 4.22Å; V39-Y79 WeakPolarHBondContact CG1-OH 3.22Å; V39-Y79 WeakPolarHBondContact O-CE2 3.26Å; V39-Y79 PolarHBondContact O-OH 3.44Å; V39-Y79 VanDerWaalsContact O-OH 3.06Å
40D98.1Very high96.8Very high21 Ų2143.9 Ų43.911%0.11226%0.259CS..Hα-helixtrans-70-40173.4-83.3-14000110.9L8 H9 G10 F12 R37 A42 M43 S44L8-D40 VanDerWaalsContact CA-OD2 3.3Å; L8-D40 WeakPolarHBondContact CA-OD2 3.31Å; H9-D40 PolarHBondContact N-OD1 3.37Å; H9-D40 PolarHBondContact N-OD2 3.48Å; G10-D40 PolarHBondContact N-OD1 2.96Å; F12-D40 HydrophobicContact CB-CB 4.02Å; F12-D40 HydrophobicContact CD1-CB 3.98Å; F12-D40 HydrophobicContact CG-CB 4.34Å; R37-D40 PolarHBondContact O-N 2.95Å; D40-A42 VanDerWaalsContact C-N 3.3Å; D40-A42 PolarHBondContact O-N 3.27Å; D40-M43 PolarHBondContact O-N 3.27Å; D40-S44 PolarHBondContact O-N 3.47Å
41L97.9Very high96.7Very high3 Ų350 Ų502%0.01627%0.272CS..Hα-helixtrans-62.1-39.5176.8-59.3-179.6000111.6E38 S44 Q45 F54 I55 Y58 M64 L72E38-L41 PolarHBondContact O-N 3.17Å; L41-S44 PolarHBondContact O-N 3.5Å; L41-S44 PolarHBondContact O-OG 3.13Å; L41-Q45 WeakPolarHBondContact O-CG 3.49Å; L41-Q45 PolarHBondContact O-N 3.23Å; L41-F54 HydrophobicContact CD2-CE1 3.61Å; L41-F54 HydrophobicContact CD2-CZ 3.64Å; L41-I55 HydrophobicContact CB-CD1 4.46Å; L41-I55 HydrophobicContact CD2-CD1 4.37Å; L41-Y58 HydrophobicContact CD1-CD1 3.98Å; L41-Y58 HydrophobicContact CD1-CE1 3.85Å; L41-Y58 HydrophobicContact CD1-CE2 4.31Å; L41-Y58 HydrophobicContact CD1-CG 4.35Å; L41-Y58 HydrophobicContact CD2-CD2 3.73Å; L41-Y58 HydrophobicContact CD2-CE2 3.79Å; L41-Y58 HydrophobicContact CD2-CG 4.09Å; L41-Y58 HydrophobicContact CG-CE2 4.44Å; L41-M64 HydrophobicContact CD1-CE 4.04Å; L41-M64 HydrophobicContact CD1-CG 4.34Å; L41-M64 HydrophobicContact CD1-SD 3.44Å; L41-M64 WeakPolarHBondContact CD1-SD 3.24Å; L41-L72 HydrophobicContact CB-CD2 4.05Å
42A97.8Very high96.6Very high0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-61.1-45.7175.600000111.9E38 D40 S44 Q45 L46 L72 Y75 Q76E38-A42 WeakPolarHBondContact O-CB 3.36Å; E38-A42 PolarHBondContact O-N 3.27Å; D40-A42 VanDerWaalsContact C-N 3.3Å; D40-A42 PolarHBondContact O-N 3.27Å; A42-S44 VanDerWaalsContact C-N 3.33Å; A42-S44 PolarHBondContact O-N 3.16Å; A42-Q45 PolarHBondContact O-N 3.31Å; A42-L46 PolarHBondContact O-N 3.17Å; A42-L72 HydrophobicContact CB-CB 4.4Å; A42-L72 HydrophobicContact CB-CD2 4.15Å; A42-Y75 VanDerWaalsContact CB-CB 3.47Å; A42-Q76 HydrophobicContact CB-CG 4Å; A42-Q76 WeakPolarHBondContact O-CG 3.48Å; A42-Q76 PolarHBondContact O-NE2 3.42Å
43M98.2Very high96.6Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-62.3-41.9176.5-168.450.8-178.500111.9D11 F12 W13 V39 D40 Q45 L46 F47 Y79D11-M43 WeakPolarHBondContact OD1-CE 3.43Å; F12-M43 CarbonylContact O-C 3.44Å; W13-M43 HydrophobicContact CB-CE 3.88Å; W13-M43 HydrophobicContact CB-CG 4.18Å; W13-M43 HydrophobicContact CG-CE 3.84Å; V39-M43 PolarHBondContact O-N 3.15Å; D40-M43 PolarHBondContact O-N 3.27Å; M43-Q45 PolarHBondContact O-N 3.48Å; M43-L46 PolarHBondContact O-N 3.38Å; M43-L46 VanDerWaalsContact O-N 3.13Å; M43-L46 HydrophobicContact SD-CD2 4.42Å; M43-F47 HydrophobicContact CE-CD2 4.01Å; M43-F47 HydrophobicContact CE-CE2 3.58Å; M43-F47 HydrophobicContact SD-CE2 4.19Å; M43-Y79 HydrophobicContact CB-CD2 4.09Å; M43-Y79 HydrophobicContact CB-CE1 4.11Å; M43-Y79 HydrophobicContact CB-CE2 3.57Å; M43-Y79 HydrophobicContact CE-CD1 4.18Å; M43-Y79 HydrophobicContact CG-CD1 4.17Å; M43-Y79 HydrophobicContact CG-CD2 4.42Å; M43-Y79 HydrophobicContact CG-CE1 3.92Å; M43-Y79 HydrophobicContact CG-CE2 4.19Å; M43-Y79 HydrophobicContact CG-CG 4.39Å; M43-Y79 HydrophobicContact SD-CD1 3.38Å; M43-Y79 WeakPolarHBondContact SD-CD1 3.43Å; M43-Y79 HydrophobicContact SD-CD2 3.77Å; M43-Y79 HydrophobicContact SD-CE1 3.77Å; M43-Y79 HydrophobicContact SD-CE2 4.14Å; M43-Y79 HydrophobicContact SD-CG 3.35Å
44S97.9Very high96.5Very high2 Ų253 Ų531%0.01426%0.261CS..Hα-helixtrans-60.5-16.3179.881.90000113.6F12 D40 L41 A42 G49 F50 F54F12-S44 WeakPolarHBondContact O-CA 3.37Å; F12-S44 PolarHBondContact O-N 3.13Å; D40-S44 PolarHBondContact O-N 3.47Å; L41-S44 PolarHBondContact O-N 3.5Å; L41-S44 PolarHBondContact O-OG 3.13Å; A42-S44 VanDerWaalsContact C-N 3.33Å; A42-S44 PolarHBondContact O-N 3.16Å; S44-G49 CarbonylContact O-C 3.57Å; S44-G49 VanDerWaalsContact O-CA 3.24Å; S44-G49 WeakPolarHBondContact O-CA 3.15Å; S44-F50 PolarHBondContact O-N 3.29Å; S44-F54 WeakPolarHBondContact OG-CE1 3.43Å
45Q97.3Very high96.5Very high57 Ų5745 Ų4527%0.26623%0.23SC..THydrogen-bonded Turntrans-109.80.2-176.4-63.2-58.9-57.200113.9L41 A42 M43 F50 I55 Q76L41-Q45 WeakPolarHBondContact O-CG 3.49Å; L41-Q45 PolarHBondContact O-N 3.23Å; A42-Q45 PolarHBondContact O-N 3.31Å; M43-Q45 PolarHBondContact O-N 3.48Å; Q45-F50 PolarHBondContact NE2-O 2.85Å; Q45-I55 HydrophobicContact CG-CD1 4.39Å; Q45-Q76 PolarHBondContact O-NE2 3.01Å
46L95.2Very high96.6Very high33 Ų3347.4 Ų47.417%0.17324%0.24CC..THydrogen-bonded Turntrans-85.4-44.8-170.3-173.656.5000114.3A42 M43 Q76 L80A42-L46 PolarHBondContact O-N 3.17Å; M43-L46 PolarHBondContact O-N 3.38Å; M43-L46 VanDerWaalsContact O-N 3.13Å; M43-L46 HydrophobicContact SD-CD2 4.42Å; L46-Q76 HydrophobicContact CB-CG 4.31Å; L46-Q76 HydrophobicContact CD1-CB 4.09Å; L46-Q76 HydrophobicContact CD1-CG 4.04Å; L46-L80 HydrophobicContact CD1-CD1 4.31Å; L46-L80 HydrophobicContact CD1-CD2 3.96Å; L46-L80 HydrophobicContact CD1-CG 4.05Å; L46-L80 HydrophobicContact CD2-CD2 4.11Å; L46-L80 HydrophobicContact CD2-CG 4.05Å; L46-L80 HydrophobicContact CG-CD2 4.43Å
47F93.7Very high96.6Very high58 Ų5848.4 Ų48.425%0.25425%0.251SS..SBendtrans-107.371-172.3-58-53.8000112.4W13 M43 G49 H83 Y91W13-F47 HydrophobicContact CD2-CD2 4.42Å; W13-F47 HydrophobicContact CE3-CB 4.28Å; W13-F47 HydrophobicContact CE3-CD2 4.24Å; M43-F47 HydrophobicContact CE-CD2 4.01Å; M43-F47 HydrophobicContact CE-CE2 3.58Å; M43-F47 HydrophobicContact SD-CE2 4.19Å; F47-G49 PolarHBondContact O-N 3.24Å; F47-H83 AromaticContact CE2-CE1 3.45Å; F47-H83 VanDerWaalsContact CE2-CE1 3.45Å; F47-H83 WeakPolarHBondContact CE2-CE1 3.48Å; F47-H83 AromaticContact CE2-NE2 3.36Å; F47-H83 WeakPolarHBondContact CE2-NE2 3.3Å; F47-H83 AromaticContact CZ-CD2 3.55Å; F47-H83 AromaticContact CZ-CE1 3.43Å; F47-H83 VanDerWaalsContact CZ-CE1 3.43Å; F47-H83 WeakPolarHBondContact CZ-CE1 3.39Å; F47-H83 AromaticContact CZ-CG 3.81Å; F47-H83 AromaticContact CZ-ND1 3.72Å; F47-H83 AromaticContact CZ-NE2 3.31Å; F47-H83 VanDerWaalsContact CZ-NE2 3.31Å; F47-H83 WeakPolarHBondContact CZ-NE2 3.39Å; F47-Y91 AromaticContact CE1-CE1 3.88Å; F47-Y91 HydrophobicContact CE1-CE1 3.88Å; F47-Y91 HydrophobicContact CZ-CE1 4.34Å
48G91.6Very high96.7Very high87 Ų8749.6 Ų49.690%0.89726%0.256SS*.SBendtrans85-21.9-174.400000113.7
49G93.8Very high96.7Very high25 Ų2551.6 Ų51.626%0.25827%0.266SS..  trans74153.9169.100000114.9S44 F47S44-G49 CarbonylContact O-C 3.57Å; S44-G49 VanDerWaalsContact O-CA 3.24Å; S44-G49 WeakPolarHBondContact O-CA 3.15Å; F47-G49 PolarHBondContact O-N 3.24Å
50F97.1Very high96.7Very high39 Ų3957.8 Ų57.817%0.17129%0.293CS..  trans-71.1151.3164.6-64.3-6.1000109.9F12 T17 S44 Q45 F54F12-F50 HydrophobicContact CD1-CE2 4.39Å; F12-F50 AromaticContact CE1-CE2 3.68Å; F12-F50 HydrophobicContact CE1-CE2 3.68Å; F12-F50 HydrophobicContact CE1-CZ 4.43Å; F12-F50 HydrophobicContact CE2-CE2 4.1Å; F12-F50 HydrophobicContact CE2-CZ 4.29Å; F12-F50 AromaticContact CZ-CE2 3.52Å; F12-F50 HydrophobicContact CZ-CE2 3.52Å; F12-F50 HydrophobicContact CZ-CZ 4.16Å; T17-F50 HydrophobicContact CG2-CZ 4.18Å; T17-F50 WeakPolarHBondContact OG1-CZ 3.45Å; S44-F50 PolarHBondContact O-N 3.29Å; Q45-F50 PolarHBondContact NE2-O 2.85Å; F50-F54 HydrophobicContact CB-CB 3.83Å; F50-F54 HydrophobicContact CB-CD1 3.95Å; F50-F54 HydrophobicContact CB-CG 3.97Å; F50-F54 HydrophobicContact CD2-CB 4.33Å; F50-F54 AromaticContact CD2-CD1 3.67Å; F50-F54 HydrophobicContact CD2-CD1 3.67Å; F50-F54 AromaticContact CD2-CD2 3.88Å; F50-F54 HydrophobicContact CD2-CD2 3.88Å; F50-F54 AromaticContact CD2-CE1 3.91Å; F50-F54 HydrophobicContact CD2-CE1 3.91Å; F50-F54 HydrophobicContact CD2-CE2 4.11Å; F50-F54 AromaticContact CD2-CG 3.66Å; F50-F54 HydrophobicContact CD2-CG 3.66Å; F50-F54 HydrophobicContact CD2-CZ 4.15Å; F50-F54 HydrophobicContact CE2-CE2 4.44Å; F50-F54 HydrophobicContact CE2-CZ 4.47Å; F50-F54 HydrophobicContact CG-CD1 4.3Å; F50-F54 HydrophobicContact CG-CG 4.34Å
51R96.6Very high96.7Very high204 Ų20463.8 Ų63.877%0.7732%0.323SS*.  trans-58.3153.9177.1-52.1-173.6-63.6-147.2-5110.7E53 F54R51-E53 WeakPolarHBondContact CB-OE2 3.34Å; R51-E53 IonicContact NE-OE2 3.8Å; R51-E53 PolarHBondContact O-N 3.14Å; R51-E53 VanDerWaalsContact O-N 3.07Å; R51-F54 VanDerWaalsContact O-CB 3.31Å; R51-F54 WeakPolarHBondContact O-CB 3.33Å; R51-F54 PolarHBondContact O-N 3.31Å
52R95.8Very high96.6Very high132 Ų13267.7 Ų67.750%0.49834%0.343SS..Hα-helixtrans-55.9-32.3-172.9-176.857.9-177-152.2-5.3113.1F54 I55 D56 E69R52-F54 PolarHBondContact O-N 3.4Å; R52-F54 VanDerWaalsContact O-N 3.13Å; R52-I55 PolarHBondContact O-N 3.37Å; R52-D56 IonicContact CZ-OD1 3.8Å; R52-D56 IonicContact NE-OD1 3.88Å; R52-D56 PolarHBondContact NE-OD1 2.82Å; R52-D56 IonicContact NH2-OD1 3.87Å; R52-D56 PolarHBondContact O-N 3.38Å; R52-E69 IonicContact NH1-OE1 3.3Å
53E97.4Very high96.5Very high108 Ų10872 Ų7251%0.50537%0.372SS..Hα-helixtrans-57.2-28.9177.5-58.381.6-179.800112.6R51 S57R51-E53 WeakPolarHBondContact CB-OE2 3.34Å; R51-E53 IonicContact NE-OE2 3.8Å; R51-E53 PolarHBondContact O-N 3.14Å; R51-E53 VanDerWaalsContact O-N 3.07Å; E53-S57 VanDerWaalsContact O-CB 3.31Å; E53-S57 WeakPolarHBondContact O-CB 3.38Å; E53-S57 PolarHBondContact O-N 3.05Å; E53-S57 PolarHBondContact O-OG 3.46Å; E53-S57 VanDerWaalsContact O-OG 3.11Å
54F97.3Very high96.3Very high55 Ų5572.8 Ų72.824%0.24138%0.375CS..Hα-helixtrans-61.7-49.8174.9168.8-104.9000111.8F12 L41 S44 F50 R51 R52 Y58F12-F54 HydrophobicContact CE1-CE1 4.44Å; F12-F54 HydrophobicContact CE1-CE2 4.19Å; F12-F54 AromaticContact CE1-CZ 3.68Å; F12-F54 HydrophobicContact CE1-CZ 3.68Å; F12-F54 HydrophobicContact CZ-CE2 4.38Å; F12-F54 HydrophobicContact CZ-CZ 4.32Å; L41-F54 HydrophobicContact CD2-CE1 3.61Å; L41-F54 HydrophobicContact CD2-CZ 3.64Å; S44-F54 WeakPolarHBondContact OG-CE1 3.43Å; F50-F54 HydrophobicContact CB-CB 3.83Å; F50-F54 HydrophobicContact CB-CD1 3.95Å; F50-F54 HydrophobicContact CB-CG 3.97Å; F50-F54 HydrophobicContact CD2-CB 4.33Å; F50-F54 AromaticContact CD2-CD1 3.67Å; F50-F54 HydrophobicContact CD2-CD1 3.67Å; F50-F54 AromaticContact CD2-CD2 3.88Å; F50-F54 HydrophobicContact CD2-CD2 3.88Å; F50-F54 AromaticContact CD2-CE1 3.91Å; F50-F54 HydrophobicContact CD2-CE1 3.91Å; F50-F54 HydrophobicContact CD2-CE2 4.11Å; F50-F54 AromaticContact CD2-CG 3.66Å; F50-F54 HydrophobicContact CD2-CG 3.66Å; F50-F54 HydrophobicContact CD2-CZ 4.15Å; F50-F54 HydrophobicContact CE2-CE2 4.44Å; F50-F54 HydrophobicContact CE2-CZ 4.47Å; F50-F54 HydrophobicContact CG-CD1 4.3Å; F50-F54 HydrophobicContact CG-CG 4.34Å; R51-F54 VanDerWaalsContact O-CB 3.31Å; R51-F54 WeakPolarHBondContact O-CB 3.33Å; R51-F54 PolarHBondContact O-N 3.31Å; R52-F54 PolarHBondContact O-N 3.4Å; R52-F54 VanDerWaalsContact O-N 3.13Å; F54-Y58 VanDerWaalsContact O-CB 3.32Å; F54-Y58 WeakPolarHBondContact O-CB 3.44Å; F54-Y58 PolarHBondContact O-N 2.84Å
55I97.2Very high96.2Very high3 Ų378.6 Ų78.62%0.01540%0.397CS..Hα-helixtrans-67.9-41.8179.3-68.2-64000110.3L41 Q45 R52 Y58 Q59 M64 W68L41-I55 HydrophobicContact CB-CD1 4.46Å; L41-I55 HydrophobicContact CD2-CD1 4.37Å; Q45-I55 HydrophobicContact CG-CD1 4.39Å; R52-I55 PolarHBondContact O-N 3.37Å; I55-Y58 PolarHBondContact O-N 2.86Å; I55-Q59 HydrophobicContact CG2-CG 4.17Å; I55-Q59 WeakPolarHBondContact O-CB 3.08Å; I55-Q59 WeakPolarHBondContact O-CG 3.22Å; I55-Q59 PolarHBondContact O-N 3.31Å; I55-M64 HydrophobicContact CG2-CE 4.25Å; I55-W68 HydrophobicContact CG2-CH2 3.64Å; I55-W68 HydrophobicContact CG2-CZ2 4.3Å; I55-W68 HydrophobicContact CG2-CZ3 4.13Å
56D97.7Very high96.1Very high66 Ų6680.4 Ų80.435%0.35342%0.422SS..Hα-helixtrans-62.9-47.9-179.5-64-15000110.9R52 Y58 Q59 E60R52-D56 IonicContact CZ-OD1 3.8Å; R52-D56 IonicContact NE-OD1 3.88Å; R52-D56 PolarHBondContact NE-OD1 2.82Å; R52-D56 IonicContact NH2-OD1 3.87Å; R52-D56 PolarHBondContact O-N 3.38Å; D56-Y58 VanDerWaalsContact C-N 3.34Å; D56-Y58 PolarHBondContact O-N 3.06Å; D56-Q59 PolarHBondContact O-N 3.28Å; D56-E60 WeakPolarHBondContact O-CG 3.38Å; D56-E60 PolarHBondContact O-N 3.24Å; D56-E60 VanDerWaalsContact O-N 3.11Å
57S97.9Very high96Very high62 Ų6280.5 Ų80.543%0.43443%0.431SS..Hα-helixtrans-64.4-35.3175-65.20000113.1E53 E60E53-S57 VanDerWaalsContact O-CB 3.31Å; E53-S57 WeakPolarHBondContact O-CB 3.38Å; E53-S57 PolarHBondContact O-N 3.05Å; E53-S57 PolarHBondContact O-OG 3.46Å; E53-S57 VanDerWaalsContact O-OG 3.11Å; S57-E60 PolarHBondContact O-N 2.95Å
58Y97.6Very high96.1Very high56 Ų5679.1 Ų79.122%0.2242%0.424CS..Hα-helixtrans-63.5-45.2173.8-171.1-71.5000111R37 L41 F54 I55 D56 E60 I61 L62R37-Y58 WeakPolarHBondContact CD-OH 3.22Å; R37-Y58 PolarHBondContact NH1-OH 3.32Å; L41-Y58 HydrophobicContact CD1-CD1 3.98Å; L41-Y58 HydrophobicContact CD1-CE1 3.85Å; L41-Y58 HydrophobicContact CD1-CE2 4.31Å; L41-Y58 HydrophobicContact CD1-CG 4.35Å; L41-Y58 HydrophobicContact CD2-CD2 3.73Å; L41-Y58 HydrophobicContact CD2-CE2 3.79Å; L41-Y58 HydrophobicContact CD2-CG 4.09Å; L41-Y58 HydrophobicContact CG-CE2 4.44Å; F54-Y58 VanDerWaalsContact O-CB 3.32Å; F54-Y58 WeakPolarHBondContact O-CB 3.44Å; F54-Y58 PolarHBondContact O-N 2.84Å; I55-Y58 PolarHBondContact O-N 2.86Å; D56-Y58 VanDerWaalsContact C-N 3.34Å; D56-Y58 PolarHBondContact O-N 3.06Å; Y58-E60 VanDerWaalsContact C-N 3.27Å; Y58-E60 PolarHBondContact O-N 2.97Å; Y58-I61 PolarHBondContact O-N 3.36Å; Y58-L62 HydrophobicContact CE1-CB 3.9Å; Y58-L62 HydrophobicContact CE1-CD2 4.4Å; Y58-L62 HydrophobicContact CE1-CG 4.41Å; Y58-L62 WeakPolarHBondContact CE1-O 3.35Å; Y58-L62 PolarHBondContact O-N 3.13Å
59Q97.2Very high96.3Very high45 Ų4579.7 Ų79.721%0.2140%0.403CS..Hα-helixtrans-62.9-32.1-179.9-73.7-77.968.400112.7I55 D56 I61 P63 M64I55-Q59 HydrophobicContact CG2-CG 4.17Å; I55-Q59 WeakPolarHBondContact O-CB 3.08Å; I55-Q59 WeakPolarHBondContact O-CG 3.22Å; I55-Q59 PolarHBondContact O-N 3.31Å; D56-Q59 PolarHBondContact O-N 3.28Å; Q59-I61 VanDerWaalsContact C-N 3.33Å; Q59-P63 WeakPolarHBondContact O-CA 3.09Å; Q59-P63 WeakPolarHBondContact O-CD 3.46Å; Q59-P63 VanDerWaalsContact O-CG 3.26Å; Q59-P63 WeakPolarHBondContact O-CG 3.39Å; Q59-M64 VanDerWaalsContact CD-CE 3.45Å; Q59-M64 HydrophobicContact CG-CE 3.93Å; Q59-M64 VanDerWaalsContact OE1-CB 3.28Å
60E98.2Very high96.3Very high158 Ų15884.1 Ų84.174%0.73842%0.417SS*.Hα-helixtrans-65-35.6174.9-72.5174.9175.300112.7D56 S57 Y58D56-E60 WeakPolarHBondContact O-CG 3.38Å; D56-E60 PolarHBondContact O-N 3.24Å; D56-E60 VanDerWaalsContact O-N 3.11Å; S57-E60 PolarHBondContact O-N 2.95Å; Y58-E60 VanDerWaalsContact C-N 3.27Å; Y58-E60 PolarHBondContact O-N 2.97Å
61I97.3Very high96.2Very high147 Ų14785.1 Ų85.175%0.75442%0.42SS*.Hα-helixtrans-89.1-46.2-177-62.2167.7000111.2Y58 Q59Y58-I61 PolarHBondContact O-N 3.36Å; Q59-I61 VanDerWaalsContact C-N 3.33Å
62L95.3Very high96.2Very high84 Ų8476 Ų7644%0.4439%0.386SS..SBendtrans-137.179.6-175.6-167.361.7000110.9R37 Y58 M64R37-L62 PolarHBondContact NH2-O 3.28Å; Y58-L62 HydrophobicContact CE1-CB 3.9Å; Y58-L62 HydrophobicContact CE1-CD2 4.4Å; Y58-L62 HydrophobicContact CE1-CG 4.41Å; Y58-L62 WeakPolarHBondContact CE1-O 3.35Å; Y58-L62 PolarHBondContact O-N 3.13Å; L62-M64 PolarHBondContact O-N 3.43Å
63P95.8Very high96.1Very high92 Ų9271.7 Ų71.760%0.59737%0.374SS*.PPolyproline II helixtrans-54.1129.7-178-23.829.1000113.2R37 Q59R37-P63 PolarHBondContact NH2-O 2.9Å; Q59-P63 WeakPolarHBondContact O-CA 3.09Å; Q59-P63 WeakPolarHBondContact O-CD 3.46Å; Q59-P63 VanDerWaalsContact O-CG 3.26Å; Q59-P63 WeakPolarHBondContact O-CG 3.39Å
64M95.1Very high96Very high15 Ų1571.8 Ų71.87%0.07438%0.377CS..PPolyproline II helixtrans-76.5149.6171-70.4-178.2-77.100110.4R37 E38 L41 I55 Q59 L62 W68R37-M64 VanDerWaalsContact NH2-CG 3.27Å; R37-M64 VanDerWaalsContact NH2-N 3.18Å; E38-M64 HydrophobicContact CG-CG 4.18Å; E38-M64 HydrophobicContact CG-SD 3.77Å; L41-M64 HydrophobicContact CD1-CE 4.04Å; L41-M64 HydrophobicContact CD1-CG 4.34Å; L41-M64 HydrophobicContact CD1-SD 3.44Å; L41-M64 WeakPolarHBondContact CD1-SD 3.24Å; I55-M64 HydrophobicContact CG2-CE 4.25Å; Q59-M64 VanDerWaalsContact CD-CE 3.45Å; Q59-M64 HydrophobicContact CG-CE 3.93Å; Q59-M64 VanDerWaalsContact OE1-CB 3.28Å; L62-M64 PolarHBondContact O-N 3.43Å; M64-W68 HydrophobicContact CB-CB 3.64Å; M64-W68 HydrophobicContact CB-CD2 4.32Å; M64-W68 HydrophobicContact CB-CG 3.64Å; M64-W68 HydrophobicContact CE-CD2 3.4Å; M64-W68 HydrophobicContact CE-CE3 3.25Å; M64-W68 HydrophobicContact CE-CG 4Å; M64-W68 HydrophobicContact CE-CH2 4.08Å; M64-W68 HydrophobicContact CE-CZ2 4.18Å; M64-W68 HydrophobicContact CE-CZ3 3.62Å; M64-W68 HydrophobicContact CG-CB 4.31Å; M64-W68 HydrophobicContact CG-CG 4.4Å; M64-W68 HydrophobicContact SD-CB 3.93Å; M64-W68 HydrophobicContact SD-CD2 3.86Å; M64-W68 HydrophobicContact SD-CE3 3.7Å; M64-W68 HydrophobicContact SD-CG 3.97Å
65R94.5Very high96Very high124 Ų12472.1 Ų72.147%0.46838%0.378SS..PPolyproline II helixtrans-70.7153.7178.8-62.5178.3179.3166.42.2110.1S2 W68 R71S2-R65 PolarHBondContact O-NH1 2.67Å; S2-R65 VanDerWaalsContact O-NH1 3.09Å; S2-R65 PolarHBondContact O-NH2 2.95Å; R65-W68 WeakPolarHBondContact O-CB 3.38Å; R65-W68 PolarHBondContact O-N 3.33Å; R65-R71 PolarHBondContact O-NH2 2.8Å
66A95.5Very high96Very high96 Ų9673.3 Ų73.379%0.79338%0.383SS*.SBendtrans-46.6142.8171.800000111.8R71A66-R71 PolarHBondContact O-NH1 3.15Å
67G94.5Very high95.9Very high34 Ų3471.9 Ų71.935%0.35138%0.375SS..SBendtrans75.622.2-175.500000114.8E70 R71G67-E70 WeakPolarHBondContact CA-OE2 3.21Å; G67-R71 VanDerWaalsContact C-NH1 3.28Å; G67-R71 WeakPolarHBondContact O-CG 3.38Å; G67-R71 PolarHBondContact O-N 3.4Å; G67-R71 PolarHBondContact O-NH1 3.27Å
68W95.3Very high95.9Very high29 Ų2975.1 Ų75.111%0.1138%0.379CS..Hα-helixtrans-71.8-31.7-17963.9-90.7000112.6I55 M64 R65 E70 R71 L72I55-W68 HydrophobicContact CG2-CH2 3.64Å; I55-W68 HydrophobicContact CG2-CZ2 4.3Å; I55-W68 HydrophobicContact CG2-CZ3 4.13Å; M64-W68 HydrophobicContact CB-CB 3.64Å; M64-W68 HydrophobicContact CB-CD2 4.32Å; M64-W68 HydrophobicContact CB-CG 3.64Å; M64-W68 HydrophobicContact CE-CD2 3.4Å; M64-W68 HydrophobicContact CE-CE3 3.25Å; M64-W68 HydrophobicContact CE-CG 4Å; M64-W68 HydrophobicContact CE-CH2 4.08Å; M64-W68 HydrophobicContact CE-CZ2 4.18Å; M64-W68 HydrophobicContact CE-CZ3 3.62Å; M64-W68 HydrophobicContact CG-CB 4.31Å; M64-W68 HydrophobicContact CG-CG 4.4Å; M64-W68 HydrophobicContact SD-CB 3.93Å; M64-W68 HydrophobicContact SD-CD2 3.86Å; M64-W68 HydrophobicContact SD-CE3 3.7Å; M64-W68 HydrophobicContact SD-CG 3.97Å; R65-W68 WeakPolarHBondContact O-CB 3.38Å; R65-W68 PolarHBondContact O-N 3.33Å; W68-E70 VanDerWaalsContact C-N 3.34Å; W68-E70 PolarHBondContact O-N 3.23Å; W68-R71 VanDerWaalsContact CA-NH2 3.32Å; W68-R71 CarbonylContact O-C 3.32Å; W68-R71 PolarHBondContact O-N 3.25Å; W68-R71 VanDerWaalsContact O-N 3.15Å; W68-L72 HydrophobicContact CE3-CD1 3.68Å; W68-L72 HydrophobicContact CE3-CG 3.83Å; W68-L72 HydrophobicContact CZ3-CD1 3.49Å; W68-L72 VanDerWaalsContact CZ3-CD1 3.49Å; W68-L72 HydrophobicContact CZ3-CG 4.16Å; W68-L72 WeakPolarHBondContact O-CG 3.43Å; W68-L72 PolarHBondContact O-N 2.93Å
69E95Very high95.9Very high100 Ų10072.8 Ų72.847%0.46737%0.37SS..Hα-helixtrans-63.7-41.6-179.7-67.2-178.4139.300110.9R52 L72 T73R52-E69 IonicContact NH1-OE1 3.3Å; E69-L72 PolarHBondContact O-N 3.38Å; E69-T73 PolarHBondContact O-N 3.26Å; E69-T73 PolarHBondContact O-OG1 3.4Å
70E94Very high96Very high117 Ų11771 Ų7155%0.54736%0.362SS..Hα-helixtrans-64.8-41.6173.5-61.184.6169.700111.1G67 W68 T73 I74G67-E70 WeakPolarHBondContact CA-OE2 3.21Å; W68-E70 VanDerWaalsContact C-N 3.34Å; W68-E70 PolarHBondContact O-N 3.23Å; E70-T73 WeakPolarHBondContact O-CB 3.34Å; E70-T73 PolarHBondContact O-N 3.06Å; E70-I74 WeakPolarHBondContact O-CG1 3.21Å; E70-I74 PolarHBondContact O-N 2.81Å; E70-I74 VanDerWaalsContact O-N 3.14Å
71R94.8Very high96Very high61 Ų6166.8 Ų66.823%0.2334%0.344CS..Hα-helixtrans-65.4-37176.3-72.1-168.9-55.7-84.52.1112.8E38 R65 A66 G67 W68 T73 I74 Y75E38-R71 IonicContact OE1-CZ 2.74Å; E38-R71 IonicContact OE1-NE 3.01Å; E38-R71 PolarHBondContact OE1-NE 3.41Å; E38-R71 IonicContact OE1-NH2 3.49Å; E38-R71 PolarHBondContact OE1-NH2 3.47Å; E38-R71 WeakPolarHBondContact OE2-CB 3.1Å; E38-R71 IonicContact OE2-CZ 3.51Å; E38-R71 IonicContact OE2-NE 3.57Å; E38-R71 PolarHBondContact OE2-NE 2.77Å; E38-R71 IonicContact OE2-NH2 2.78Å; R65-R71 PolarHBondContact O-NH2 2.8Å; A66-R71 PolarHBondContact O-NH1 3.15Å; G67-R71 VanDerWaalsContact C-NH1 3.28Å; G67-R71 WeakPolarHBondContact O-CG 3.38Å; G67-R71 PolarHBondContact O-N 3.4Å; G67-R71 PolarHBondContact O-NH1 3.27Å; W68-R71 VanDerWaalsContact CA-NH2 3.32Å; W68-R71 CarbonylContact O-C 3.32Å; W68-R71 PolarHBondContact O-N 3.25Å; W68-R71 VanDerWaalsContact O-N 3.15Å; R71-T73 VanDerWaalsContact C-N 3.27Å; R71-T73 PolarHBondContact O-N 3.47Å; R71-I74 PolarHBondContact O-N 3.4Å; R71-I74 VanDerWaalsContact O-N 3.15Å; R71-Y75 HydrophobicContact CB-CD2 4.28Å; R71-Y75 HydrophobicContact CB-CE2 3.93Å; R71-Y75 WeakPolarHBondContact O-CD2 3.41Å; R71-Y75 PolarHBondContact O-N 2.89Å
72L96Very high96Very high12 Ų1262.5 Ų62.56%0.06332%0.324CS..Hα-helixtrans-58.5-44.4174.7-66.7-161.9000110.9E38 L41 A42 W68 E69 I74 Y75 Q76E38-L72 HydrophobicContact CB-CD2 3.8Å; E38-L72 HydrophobicContact CG-CD2 4.36Å; E38-L72 WeakPolarHBondContact O-CD2 3.39Å; L41-L72 HydrophobicContact CB-CD2 4.05Å; A42-L72 HydrophobicContact CB-CB 4.4Å; A42-L72 HydrophobicContact CB-CD2 4.15Å; W68-L72 HydrophobicContact CE3-CD1 3.68Å; W68-L72 HydrophobicContact CE3-CG 3.83Å; W68-L72 HydrophobicContact CZ3-CD1 3.49Å; W68-L72 VanDerWaalsContact CZ3-CD1 3.49Å; W68-L72 HydrophobicContact CZ3-CG 4.16Å; W68-L72 WeakPolarHBondContact O-CG 3.43Å; W68-L72 PolarHBondContact O-N 2.93Å; E69-L72 PolarHBondContact O-N 3.38Å; L72-I74 VanDerWaalsContact C-N 3.28Å; L72-I74 PolarHBondContact O-N 3.31Å; L72-Y75 PolarHBondContact O-N 3.3Å; L72-Y75 VanDerWaalsContact O-N 3.17Å; L72-Q76 WeakPolarHBondContact O-CG 3.16Å; L72-Q76 PolarHBondContact O-N 3.3Å
73T94.6Very high96.1Very high41 Ų4159.8 Ų59.825%0.25231%0.309SS..Hα-helixtrans-61-40.3177.9-52.10000111.2E69 E70 R71 Q76 L77 V98 L101E69-T73 PolarHBondContact O-N 3.26Å; E69-T73 PolarHBondContact O-OG1 3.4Å; E70-T73 WeakPolarHBondContact O-CB 3.34Å; E70-T73 PolarHBondContact O-N 3.06Å; R71-T73 VanDerWaalsContact C-N 3.27Å; R71-T73 PolarHBondContact O-N 3.47Å; T73-Q76 PolarHBondContact O-N 3.48Å; T73-L77 PolarHBondContact O-N 2.8Å; T73-V98 HydrophobicContact CG2-CG1 4.19Å; T73-V98 HydrophobicContact CG2-CG2 4.09Å; T73-V98 WeakPolarHBondContact O-CG1 3.43Å; T73-L101 HydrophobicContact CG2-CD1 3.49Å; T73-L101 VanDerWaalsContact CG2-CD1 3.49Å
74I95Very high96.2Very high111 Ų11157 Ų5757%0.56929%0.289SS*.Hα-helixtrans-65.4-44.3174.6-64.1166.5000111.2E70 R71 L72 Q76 L77E70-I74 WeakPolarHBondContact O-CG1 3.21Å; E70-I74 PolarHBondContact O-N 2.81Å; E70-I74 VanDerWaalsContact O-N 3.14Å; R71-I74 PolarHBondContact O-N 3.4Å; R71-I74 VanDerWaalsContact O-N 3.15Å; L72-I74 VanDerWaalsContact C-N 3.28Å; L72-I74 PolarHBondContact O-N 3.31Å; I74-Q76 VanDerWaalsContact C-N 3.29Å; I74-Q76 PolarHBondContact O-N 3.22Å; I74-L77 WeakPolarHBondContact O-CB 3.43Å; I74-L77 PolarHBondContact O-N 3.3Å; I74-L77 VanDerWaalsContact O-N 3.16Å
75Y96.7Very high96.4Very high62 Ų6262.8 Ų62.824%0.24332%0.32CS..Hα-helixtrans-66.1-31177.9-69.2-49.9000112.6H36 E38 V39 A42 R71 L72 L77 Y78H36-Y75 AromaticContact ND1-CE2 3.53Å; H36-Y75 AromaticContact ND1-CZ 3.57Å; H36-Y75 PolarHBondContact ND1-OH 3.02Å; H36-Y75 VanDerWaalsContact ND1-OH 3.1Å; E38-Y75 HydrophobicContact CB-CD2 3.78Å; E38-Y75 HydrophobicContact CB-CE2 3.59Å; V39-Y75 HydrophobicContact CG2-CD1 3.67Å; V39-Y75 HydrophobicContact CG2-CE1 3.93Å; V39-Y75 HydrophobicContact CG2-CG 4.01Å; A42-Y75 VanDerWaalsContact CB-CB 3.47Å; R71-Y75 HydrophobicContact CB-CD2 4.28Å; R71-Y75 HydrophobicContact CB-CE2 3.93Å; R71-Y75 WeakPolarHBondContact O-CD2 3.41Å; R71-Y75 PolarHBondContact O-N 2.89Å; L72-Y75 PolarHBondContact O-N 3.3Å; L72-Y75 VanDerWaalsContact O-N 3.17Å; Y75-L77 PolarHBondContact O-N 2.78Å; Y75-Y78 PolarHBondContact O-N 2.74Å
76Q97.2Very high96.6Very high28 Ų2861.2 Ų61.213%0.13133%0.325CS..Hα-helixtrans-62.2-27.5173.4-77.8177.4-18.300113A42 Q45 L46 L72 T73 I74 Y78 Y79 L80A42-Q76 HydrophobicContact CB-CG 4Å; A42-Q76 WeakPolarHBondContact O-CG 3.48Å; A42-Q76 PolarHBondContact O-NE2 3.42Å; Q45-Q76 PolarHBondContact O-NE2 3.01Å; L46-Q76 HydrophobicContact CB-CG 4.31Å; L46-Q76 HydrophobicContact CD1-CB 4.09Å; L46-Q76 HydrophobicContact CD1-CG 4.04Å; L72-Q76 WeakPolarHBondContact O-CG 3.16Å; L72-Q76 PolarHBondContact O-N 3.3Å; T73-Q76 PolarHBondContact O-N 3.48Å; I74-Q76 VanDerWaalsContact C-N 3.29Å; I74-Q76 PolarHBondContact O-N 3.22Å; Q76-Y78 PolarHBondContact O-N 3.49Å; Q76-Y79 PolarHBondContact O-N 2.95Å; Q76-Y79 VanDerWaalsContact O-N 3.17Å; Q76-L80 WeakPolarHBondContact O-CG 2.97Å; Q76-L80 PolarHBondContact O-N 2.78Å
77L97.3Very high96.7Very high35 Ų3562.9 Ų62.918%0.18331%0.314CS..Hα-helixtrans-55.5-40176-175.958.6000112T73 I74 Y75 Y79 L80 L81 V95 V98 L99T73-L77 PolarHBondContact O-N 2.8Å; I74-L77 WeakPolarHBondContact O-CB 3.43Å; I74-L77 PolarHBondContact O-N 3.3Å; I74-L77 VanDerWaalsContact O-N 3.16Å; Y75-L77 PolarHBondContact O-N 2.78Å; L77-Y79 PolarHBondContact O-N 3.04Å; L77-L80 PolarHBondContact O-N 3.1Å; L77-L81 HydrophobicContact CD1-CD1 4.2Å; L77-L81 HydrophobicContact CD1-CG 4.15Å; L77-L81 HydrophobicContact CG-CD1 3.93Å; L77-L81 HydrophobicContact CG-CG 4.34Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.07Å; L77-V95 HydrophobicContact CD1-CG1 3.96Å; L77-V98 HydrophobicContact CB-CG1 3.91Å; L77-V98 HydrophobicContact CD1-CB 4.28Å; L77-V98 HydrophobicContact CD1-CG1 4.16Å; L77-V98 HydrophobicContact CG-CG1 4.41Å; L77-L99 HydrophobicContact CD1-CD2 4.26Å; L77-L99 HydrophobicContact CD1-CG 4.28Å; L77-L99 HydrophobicContact CD2-CD2 3.76Å
78Y97Very high96.9Very high131 Ų13162.6 Ų62.651%0.51431%0.311SS..Hα-helixtrans-57.3-51.1177.7166-106.1000111.2Y75 Q76 L81 V82Y75-Y78 PolarHBondContact O-N 2.74Å; Q76-Y78 PolarHBondContact O-N 3.49Å; Y78-L81 PolarHBondContact O-N 3.01Å; Y78-V82 HydrophobicContact CD2-CG2 4.38Å; Y78-V82 HydrophobicContact CE1-CG2 4.3Å; Y78-V82 HydrophobicContact CE2-CG2 3.93Å; Y78-V82 WeakPolarHBondContact O-CG2 3.36Å; Y78-V82 PolarHBondContact O-N 3.06Å
79Y98Very high97Very high7 Ų768.6 Ų68.63%0.02734%0.34CS..Hα-helixtrans-67.3-38.7-179.3-61.5-71.1000112.2G10 V39 M43 Q76 L77 L81 V82 H83G10-Y79 WeakPolarHBondContact O-CE1 3.45Å; G10-Y79 PolarHBondContact O-OH 2.85Å; V39-Y79 HydrophobicContact CG1-CE2 4.22Å; V39-Y79 WeakPolarHBondContact CG1-OH 3.22Å; V39-Y79 WeakPolarHBondContact O-CE2 3.26Å; V39-Y79 PolarHBondContact O-OH 3.44Å; V39-Y79 VanDerWaalsContact O-OH 3.06Å; M43-Y79 HydrophobicContact CB-CD2 4.09Å; M43-Y79 HydrophobicContact CB-CE1 4.11Å; M43-Y79 HydrophobicContact CB-CE2 3.57Å; M43-Y79 HydrophobicContact CE-CD1 4.18Å; M43-Y79 HydrophobicContact CG-CD1 4.17Å; M43-Y79 HydrophobicContact CG-CD2 4.42Å; M43-Y79 HydrophobicContact CG-CE1 3.92Å; M43-Y79 HydrophobicContact CG-CE2 4.19Å; M43-Y79 HydrophobicContact CG-CG 4.39Å; M43-Y79 HydrophobicContact SD-CD1 3.38Å; M43-Y79 WeakPolarHBondContact SD-CD1 3.43Å; M43-Y79 HydrophobicContact SD-CD2 3.77Å; M43-Y79 HydrophobicContact SD-CE1 3.77Å; M43-Y79 HydrophobicContact SD-CE2 4.14Å; M43-Y79 HydrophobicContact SD-CG 3.35Å; Q76-Y79 PolarHBondContact O-N 2.95Å; Q76-Y79 VanDerWaalsContact O-N 3.17Å; L77-Y79 PolarHBondContact O-N 3.04Å; Y79-L81 VanDerWaalsContact C-N 3.33Å; Y79-L81 PolarHBondContact O-N 3.44Å; Y79-V82 WeakPolarHBondContact O-CB 3.44Å; Y79-V82 PolarHBondContact O-N 3.05Å; Y79-H83 PolarHBondContact O-N 3.13Å; Y79-H83 PolarHBondContact O-ND1 3.12Å
80L98.1Very high97.1Very high8 Ų868.6 Ų68.64%0.04235%0.351CS..Hα-helixtrans-61.9-40.7174.6-73.1172.6000111.9L46 Q76 L77 H83 L84 Y91 A94 V95 V98L46-L80 HydrophobicContact CD1-CD1 4.31Å; L46-L80 HydrophobicContact CD1-CD2 3.96Å; L46-L80 HydrophobicContact CD1-CG 4.05Å; L46-L80 HydrophobicContact CD2-CD2 4.11Å; L46-L80 HydrophobicContact CD2-CG 4.05Å; L46-L80 HydrophobicContact CG-CD2 4.43Å; Q76-L80 WeakPolarHBondContact O-CG 2.97Å; Q76-L80 PolarHBondContact O-N 2.78Å; L77-L80 PolarHBondContact O-N 3.1Å; L80-H83 PolarHBondContact O-N 3.02Å; L80-L84 WeakPolarHBondContact O-CB 3.23Å; L80-L84 PolarHBondContact O-N 2.95Å; L80-Y91 HydrophobicContact CD2-CD1 4.37Å; L80-A94 HydrophobicContact CD1-CB 3.97Å; L80-A94 HydrophobicContact CD2-CB 3.63Å; L80-A94 HydrophobicContact CG-CB 4.41Å; L80-V95 HydrophobicContact CB-CG2 3.71Å; L80-V98 HydrophobicContact CD1-CG2 3.83Å
81L98.4Very high97.3Very high69 Ų6966 Ų6636%0.36134%0.337SS..Hα-helixtrans-66.3-39.9174.2-71.7169.5000112L77 Y78 Y79 H83 L84 N85 V95L77-L81 HydrophobicContact CD1-CD1 4.2Å; L77-L81 HydrophobicContact CD1-CG 4.15Å; L77-L81 HydrophobicContact CG-CD1 3.93Å; L77-L81 HydrophobicContact CG-CG 4.34Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.07Å; Y78-L81 PolarHBondContact O-N 3.01Å; Y79-L81 VanDerWaalsContact C-N 3.33Å; Y79-L81 PolarHBondContact O-N 3.44Å; L81-H83 VanDerWaalsContact C-N 3.31Å; L81-H83 PolarHBondContact O-N 3.36Å; L81-L84 HydrophobicContact CD2-CD2 4.47Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-N85 WeakPolarHBondContact O-CB 3.44Å; L81-N85 VanDerWaalsContact O-CG 3.25Å; L81-N85 PolarHBondContact O-N 2.83Å; L81-N85 PolarHBondContact O-ND2 2.93Å; L81-V95 HydrophobicContact CD2-CG1 3.85Å; L81-V95 HydrophobicContact CD2-CG2 4.13Å; L81-V95 HydrophobicContact CG-CG2 4.43Å
82V97.8Very high97.5Very high56 Ų5663.4 Ų63.434%0.33933%0.33SS..Hα-helixtrans-58.7-44.8172.6169.20000110.7Y78 Y79 N85 T86Y78-V82 HydrophobicContact CD2-CG2 4.38Å; Y78-V82 HydrophobicContact CE1-CG2 4.3Å; Y78-V82 HydrophobicContact CE2-CG2 3.93Å; Y78-V82 WeakPolarHBondContact O-CG2 3.36Å; Y78-V82 PolarHBondContact O-N 3.06Å; Y79-V82 WeakPolarHBondContact O-CB 3.44Å; Y79-V82 PolarHBondContact O-N 3.05Å; V82-N85 PolarHBondContact O-N 2.91Å; V82-T86 VanDerWaalsContact O-CB 3.31Å; V82-T86 WeakPolarHBondContact O-CB 3.31Å; V82-T86 PolarHBondContact O-N 3.33Å; V82-T86 PolarHBondContact O-OG1 3.23Å
83H98.1Very high97.5Very high27 Ų2768.6 Ų68.613%0.12536%0.357CS..Hα-helixtrans-70.6-39.1179.4-74.869000112.6F47 Y79 L80 L81 N85 T86 F87 Y91F47-H83 AromaticContact CE2-CE1 3.45Å; F47-H83 VanDerWaalsContact CE2-CE1 3.45Å; F47-H83 WeakPolarHBondContact CE2-CE1 3.48Å; F47-H83 AromaticContact CE2-NE2 3.36Å; F47-H83 WeakPolarHBondContact CE2-NE2 3.3Å; F47-H83 AromaticContact CZ-CD2 3.55Å; F47-H83 AromaticContact CZ-CE1 3.43Å; F47-H83 VanDerWaalsContact CZ-CE1 3.43Å; F47-H83 WeakPolarHBondContact CZ-CE1 3.39Å; F47-H83 AromaticContact CZ-CG 3.81Å; F47-H83 AromaticContact CZ-ND1 3.72Å; F47-H83 AromaticContact CZ-NE2 3.31Å; F47-H83 VanDerWaalsContact CZ-NE2 3.31Å; F47-H83 WeakPolarHBondContact CZ-NE2 3.39Å; Y79-H83 PolarHBondContact O-N 3.13Å; Y79-H83 PolarHBondContact O-ND1 3.12Å; L80-H83 PolarHBondContact O-N 3.02Å; L81-H83 VanDerWaalsContact C-N 3.31Å; L81-H83 PolarHBondContact O-N 3.36Å; H83-N85 VanDerWaalsContact C-N 3.34Å; H83-N85 PolarHBondContact O-N 3.2Å; H83-T86 PolarHBondContact O-N 2.78Å; H83-F87 HydrophobicContact CB-CD2 4.05Å; H83-F87 AromaticContact CD2-CD2 3.59Å; H83-F87 AromaticContact CD2-CE2 3.48Å; H83-F87 VanDerWaalsContact CD2-CE2 3.48Å; H83-F87 WeakPolarHBondContact CD2-CE2 3.47Å; H83-F87 AromaticContact NE2-CE2 3.95Å; H83-F87 WeakPolarHBondContact O-CA 3.32Å; H83-F87 WeakPolarHBondContact O-CB 3.46Å; H83-F87 PolarHBondContact O-N 3.19Å; H83-Y91 HydrophobicContact CB-CD1 3.5Å; H83-Y91 HydrophobicContact CB-CD2 3.9Å; H83-Y91 HydrophobicContact CB-CE1 3.63Å; H83-Y91 HydrophobicContact CB-CE2 4.05Å; H83-Y91 HydrophobicContact CB-CG 3.64Å; H83-Y91 AromaticContact CD2-CE1 3.73Å; H83-Y91 AromaticContact CD2-CZ 3.75Å; H83-Y91 AromaticContact CG-CE1 3.91Å
84L98.5Very high97.6Very high34 Ų3467.6 Ų67.618%0.17835%0.353CS..Hα-helixtrans-57.7-48172176.861.4000110.7L80 L81 T86 G88 V95L80-L84 WeakPolarHBondContact O-CB 3.23Å; L80-L84 PolarHBondContact O-N 2.95Å; L81-L84 HydrophobicContact CD2-CD2 4.47Å; L81-L84 PolarHBondContact O-N 3.11Å; L84-T86 VanDerWaalsContact C-N 3.3Å; L84-T86 PolarHBondContact O-N 2.84Å; L84-G88 WeakPolarHBondContact O-CA 3.42Å; L84-G88 PolarHBondContact O-N 2.72Å; L84-V95 HydrophobicContact CB-CG2 4.47Å; L84-V95 HydrophobicContact CD2-CG2 4.18Å
85N98.4Very high97.7Very high136 Ų13662.7 Ų62.773%0.72733%0.328SS*.Hα-helixtrans-65.6-30.9179.1-73.5-24.2000113.2L81 V82 H83L81-N85 WeakPolarHBondContact O-CB 3.44Å; L81-N85 VanDerWaalsContact O-CG 3.25Å; L81-N85 PolarHBondContact O-N 2.83Å; L81-N85 PolarHBondContact O-ND2 2.93Å; V82-N85 PolarHBondContact O-N 2.91Å; H83-N85 VanDerWaalsContact C-N 3.34Å; H83-N85 PolarHBondContact O-N 3.2Å
86T97.9Very high97.7Very high92 Ų9264.6 Ų64.656%0.56434%0.343SS*.Hα-helixtrans-95.1-38.2-172.5-52.90000113.1V82 H83 L84V82-T86 VanDerWaalsContact O-CB 3.31Å; V82-T86 WeakPolarHBondContact O-CB 3.31Å; V82-T86 PolarHBondContact O-N 3.33Å; V82-T86 PolarHBondContact O-OG1 3.23Å; H83-T86 PolarHBondContact O-N 2.78Å; L84-T86 VanDerWaalsContact C-N 3.3Å; L84-T86 PolarHBondContact O-N 2.84Å
87F97.9Very high97.6Very high131 Ų13171.5 Ų71.558%0.57537%0.368SS*.Hα-helixtrans-119.2-7.1-171-53.5-63.7000113.4H83 Y91H83-F87 HydrophobicContact CB-CD2 4.05Å; H83-F87 AromaticContact CD2-CD2 3.59Å; H83-F87 AromaticContact CD2-CE2 3.48Å; H83-F87 VanDerWaalsContact CD2-CE2 3.48Å; H83-F87 WeakPolarHBondContact CD2-CE2 3.47Å; H83-F87 AromaticContact NE2-CE2 3.95Å; H83-F87 WeakPolarHBondContact O-CA 3.32Å; H83-F87 WeakPolarHBondContact O-CB 3.46Å; H83-F87 PolarHBondContact O-N 3.19Å; F87-Y91 HydrophobicContact CB-CD2 4.12Å; F87-Y91 HydrophobicContact CB-CE2 3.59Å; F87-Y91 HydrophobicContact CD2-CE2 4.05Å; F87-Y91 HydrophobicContact CG-CE2 4.22Å
88G98.1Very high97.5Very high27 Ų2770.8 Ų70.828%0.27837%0.365SS..  trans90.4-168.1171.200000115.5L84 S90 Y91L84-G88 WeakPolarHBondContact O-CA 3.42Å; L84-G88 PolarHBondContact O-N 2.72Å; G88-S90 PolarHBondContact O-N 3.1Å; G88-Y91 PolarHBondContact O-N 2.91Å
89E98Very high97.4Very high155 Ų15569.1 Ų69.172%0.72436%0.364SS*.G310 helixtrans-58.7-14.2-163.3-67.5-58.2126.600116.4Y91 G92E89-Y91 PolarHBondContact O-N 3.09Å; E89-G92 PolarHBondContact O-N 2.86Å
90S97.6Very high97.2Very high100 Ų10072 Ų7270%0.69939%0.389SS*.G310 helixtrans-57.5-19173.5650000113.9G88G88-S90 PolarHBondContact O-N 3.1Å
91Y98.3Very high96.7Very high62 Ų6276.4 Ų76.424%0.24341%0.413CS..G310 helixtrans-97-7.1174.9-63.8-90.4000114F47 L80 H83 F87 G88 E89 A94 V95F47-Y91 AromaticContact CE1-CE1 3.88Å; F47-Y91 HydrophobicContact CE1-CE1 3.88Å; F47-Y91 HydrophobicContact CZ-CE1 4.34Å; L80-Y91 HydrophobicContact CD2-CD1 4.37Å; H83-Y91 HydrophobicContact CB-CD1 3.5Å; H83-Y91 HydrophobicContact CB-CD2 3.9Å; H83-Y91 HydrophobicContact CB-CE1 3.63Å; H83-Y91 HydrophobicContact CB-CE2 4.05Å; H83-Y91 HydrophobicContact CB-CG 3.64Å; H83-Y91 AromaticContact CD2-CE1 3.73Å; H83-Y91 AromaticContact CD2-CZ 3.75Å; H83-Y91 AromaticContact CG-CE1 3.91Å; F87-Y91 HydrophobicContact CB-CD2 4.12Å; F87-Y91 HydrophobicContact CB-CE2 3.59Å; F87-Y91 HydrophobicContact CD2-CE2 4.05Å; F87-Y91 HydrophobicContact CG-CE2 4.22Å; G88-Y91 PolarHBondContact O-N 2.91Å; E89-Y91 PolarHBondContact O-N 3.09Å; Y91-A94 WeakPolarHBondContact O-CB 3.37Å; Y91-A94 PolarHBondContact O-N 3.21Å; Y91-V95 PolarHBondContact O-N 2.88Å; Y91-V95 VanDerWaalsContact O-N 3.15Å
92G97.9Very high95.5Very high8 Ų876.4 Ų76.48%0.08243%0.429CS..Hα-helixtrans-60.6-48.4-175.600000113E89 A94 V95 D96E89-G92 PolarHBondContact O-N 2.86Å; G92-A94 PolarHBondContact O-N 3.42Å; G92-A94 VanDerWaalsContact O-N 3.13Å; G92-V95 WeakPolarHBondContact O-CA 3.19Å; G92-V95 WeakPolarHBondContact O-CB 3.4Å; G92-V95 PolarHBondContact O-N 2.99Å; G92-D96 PolarHBondContact O-N 3.11Å
93D97.2Very high93.6Very high120 Ų12077.1 Ų77.164%0.64245%0.447SS*.Hα-helixtrans-58.8-29.8177.4-73.9-8.7000113.2R97D93-R97 WeakPolarHBondContact O-CB 3.39Å; D93-R97 VanDerWaalsContact O-CG 3.23Å; D93-R97 WeakPolarHBondContact O-CG 3.43Å; D93-R97 PolarHBondContact O-N 3.11Å; D93-R97 PolarHBondContact O-NE 2.85Å
94A96.1Very high91.1Very high21 Ų2187.1 Ų87.117%0.17449%0.491CS..Hα-helixtrans-75.3-41176.100000111.2L80 Y91 G92 R97 V98L80-A94 HydrophobicContact CD1-CB 3.97Å; L80-A94 HydrophobicContact CD2-CB 3.63Å; L80-A94 HydrophobicContact CG-CB 4.41Å; Y91-A94 WeakPolarHBondContact O-CB 3.37Å; Y91-A94 PolarHBondContact O-N 3.21Å; G92-A94 PolarHBondContact O-N 3.42Å; G92-A94 VanDerWaalsContact O-N 3.13Å; A94-R97 PolarHBondContact O-N 3.48Å; A94-V98 WeakPolarHBondContact O-CG2 3.45Å; A94-V98 PolarHBondContact O-N 3.18Å
95V97.7Very high90.8Very high7 Ų789.8 Ų89.84%0.04251%0.506CS..Hα-helixtrans-58.4-51.3172.61710000110.4L77 L80 L81 L84 Y91 G92 R97 V98 L99L77-V95 HydrophobicContact CD1-CG1 3.96Å; L80-V95 HydrophobicContact CB-CG2 3.71Å; L81-V95 HydrophobicContact CD2-CG1 3.85Å; L81-V95 HydrophobicContact CD2-CG2 4.13Å; L81-V95 HydrophobicContact CG-CG2 4.43Å; L84-V95 HydrophobicContact CB-CG2 4.47Å; L84-V95 HydrophobicContact CD2-CG2 4.18Å; Y91-V95 PolarHBondContact O-N 2.88Å; Y91-V95 VanDerWaalsContact O-N 3.15Å; G92-V95 WeakPolarHBondContact O-CA 3.19Å; G92-V95 WeakPolarHBondContact O-CB 3.4Å; G92-V95 PolarHBondContact O-N 2.99Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 3.17Å; V95-V98 PolarHBondContact O-N 3.06Å; V95-V98 VanDerWaalsContact O-N 3.11Å; V95-L99 HydrophobicContact CG1-CD1 3.84Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CG 3.26Å; V95-L99 PolarHBondContact O-N 3.28Å
96D97.1Very high90.4Very high102 Ų10287.4 Ų87.455%0.54550%0.495SS..Hα-helixtrans-61.1-39.7-178.8-76.2-14.9000112.3G92 V98 L99 A100G92-D96 PolarHBondContact O-N 3.11Å; D96-V98 VanDerWaalsContact C-N 3.34Å; D96-V98 PolarHBondContact O-N 2.82Å; D96-L99 PolarHBondContact O-N 2.81Å; D96-A100 WeakPolarHBondContact O-CB 3.32Å; D96-A100 PolarHBondContact O-N 3.37Å
97R95.1Very high89.9Confident174 Ų17487.1 Ų87.166%0.65749%0.491SS*.Hα-helixtrans-60-42.8174.8-83.2-178.6-75.3161.9-7.6112.4D93 A94 V95D93-R97 WeakPolarHBondContact O-CB 3.39Å; D93-R97 VanDerWaalsContact O-CG 3.23Å; D93-R97 WeakPolarHBondContact O-CG 3.43Å; D93-R97 PolarHBondContact O-N 3.11Å; D93-R97 PolarHBondContact O-NE 2.85Å; A94-R97 PolarHBondContact O-N 3.48Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 3.17Å
98V94.6Very high89.5Confident20 Ų2084.5 Ų84.512%0.12149%0.486CS..Hα-helixtrans-68.6-43.5177.7174.90000110.9T73 L77 L80 A94 V95 D96 A100 L101T73-V98 HydrophobicContact CG2-CG1 4.19Å; T73-V98 HydrophobicContact CG2-CG2 4.09Å; T73-V98 WeakPolarHBondContact O-CG1 3.43Å; L77-V98 HydrophobicContact CB-CG1 3.91Å; L77-V98 HydrophobicContact CD1-CB 4.28Å; L77-V98 HydrophobicContact CD1-CG1 4.16Å; L77-V98 HydrophobicContact CG-CG1 4.41Å; L80-V98 HydrophobicContact CD1-CG2 3.83Å; A94-V98 WeakPolarHBondContact O-CG2 3.45Å; A94-V98 PolarHBondContact O-N 3.18Å; V95-V98 PolarHBondContact O-N 3.06Å; V95-V98 VanDerWaalsContact O-N 3.11Å; D96-V98 VanDerWaalsContact C-N 3.34Å; D96-V98 PolarHBondContact O-N 2.82Å; V98-A100 VanDerWaalsContact C-N 3.3Å; V98-A100 PolarHBondContact O-N 2.91Å; V98-L101 WeakPolarHBondContact O-CB 3.3Å; V98-L101 PolarHBondContact O-N 2.84Å; V98-L101 VanDerWaalsContact O-N 3.11Å
99L95.2Very high88.9Confident95 Ų9588.1 Ų88.150%0.49750%0.499SS..Hα-helixtrans-61.7-37.3177.7-69.1175.4000112.5L77 V95 D96 L101 G102L77-L99 HydrophobicContact CD1-CD2 4.26Å; L77-L99 HydrophobicContact CD1-CG 4.28Å; L77-L99 HydrophobicContact CD2-CD2 3.76Å; V95-L99 HydrophobicContact CG1-CD1 3.84Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CG 3.26Å; V95-L99 PolarHBondContact O-N 3.28Å; D96-L99 PolarHBondContact O-N 2.81Å; L99-L101 PolarHBondContact O-N 2.82Å; L99-G102 PolarHBondContact O-N 2.98Å; L99-G102 VanDerWaalsContact O-N 3.12Å
100A94Very high88.3Confident67 Ų6783.7 Ų83.755%0.55448%0.484SS*.Hα-helixtrans-63.4-20.3176.600000113.7D96 V98D96-A100 WeakPolarHBondContact O-CB 3.32Å; D96-A100 PolarHBondContact O-N 3.37Å; V98-A100 VanDerWaalsContact C-N 3.3Å; V98-A100 PolarHBondContact O-N 2.91Å
101L87.7Confident87.7Confident102 Ų10282.5 Ų82.553%0.53447%0.469SS..Hα-helixtrans-74-31.9174.6-63.2171.9000112.6T73 V98 L99 G103T73-L101 HydrophobicContact CG2-CD1 3.49Å; T73-L101 VanDerWaalsContact CG2-CD1 3.49Å; V98-L101 WeakPolarHBondContact O-CB 3.3Å; V98-L101 PolarHBondContact O-N 2.84Å; V98-L101 VanDerWaalsContact O-N 3.11Å; L99-L101 PolarHBondContact O-N 2.82Å; L101-G103 VanDerWaalsContact C-N 3.33Å
102G71.6Confident86.8Confident68 Ų6884.1 Ų84.170%0.70149%0.486SS*.Hα-helixtrans-82.8-7.7178.400000114.4L99 K104L99-G102 PolarHBondContact O-N 2.98Å; L99-G102 VanDerWaalsContact O-N 3.12Å; G102-K104 VanDerWaalsContact C-N 3.31Å
103G58.7Low85.9Confident71 Ų7190.4 Ų90.473%0.73252%0.519SS*.THydrogen-bonded Turntrans-87.513.1177.700000115L101L101-G103 VanDerWaalsContact C-N 3.33Å
104K46.2Very low84.9Confident238 Ų23887.7 Ų87.7100%1.03551%0.508SS*.  trans-102.80173.6-66.7-176.4-178.2176.80110.6G102G102-K104 VanDerWaalsContact C-N 3.31Å

Retrieved 104 of 104 residues in 73.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).