A0A060VSQ6_ONCMY Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

AlphaFold DB (A0A4W5PBX8), UniProt , Accession A0A060VSQ6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110503510, Length 135 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
1M58.9Low81.8Confident181 Ų18176.6 Ų76.689%0.89238%0.383SS*.  0128.80-104.556.6176.700109.4L6M1-L6 HydrophobicContact CG-CD2 4.46Å
2G79.4Confident82.2Confident34 Ų3472.1 Ų72.135%0.35136%0.363SS..  trans-84.4158.1170.600000111.5W4 D5G2-W4 PolarHBondContact O-N 3.22Å; G2-W4 VanDerWaalsContact O-N 3.15Å; G2-D5 WeakPolarHBondContact CA-OD2 3.33Å; G2-D5 PolarHBondContact N-OD2 3.02Å; G2-D5 PolarHBondContact O-N 3.38Å
3Y86.3Confident82.9Confident26 Ų2677.7 Ų77.710%0.10239%0.393CS..G310 helixtrans-53.3-35177.7176.8-101.7000113.5K15 I18 T19 Y84Y3-K15 HydrophobicContact CD2-CB 4.24Å; Y3-K15 HydrophobicContact CD2-CG 4.07Å; Y3-K15 HydrophobicContact CE2-CB 3.88Å; Y3-K15 HydrophobicContact CE2-CD 4.16Å; Y3-K15 HydrophobicContact CE2-CG 3.92Å; Y3-K15 PolarHBondContact O-NZ 3.41Å; Y3-I18 HydrophobicContact CD2-CB 4.49Å; Y3-I18 HydrophobicContact CD2-CG2 4.34Å; Y3-T19 HydrophobicContact CD2-CG2 3.89Å; Y3-T19 HydrophobicContact CE2-CG2 3.4Å; Y3-T19 VanDerWaalsContact CE2-CG2 3.4Å; Y3-Y84 HydrophobicContact CE1-CE1 4.26Å; Y3-Y84 VanDerWaalsContact CE1-OH 3.26Å; Y3-Y84 WeakPolarHBondContact CE1-OH 3.47Å; Y3-Y84 PolarHBondContact OH-OH 3.38Å; Y3-Y84 VanDerWaalsContact OH-OH 3.11Å
4W87.4Confident83.5Confident108 Ų10878.5 Ų78.541%0.40939%0.394SS..G310 helixtrans-82.1-11.5-178.4-61.9113.7000114.4G2 Y84 K120 K123G2-W4 PolarHBondContact O-N 3.22Å; G2-W4 VanDerWaalsContact O-N 3.15Å; W4-Y84 HydrophobicContact CH2-CE1 4Å; W4-Y84 HydrophobicContact CZ3-CE1 4.27Å; W4-Y84 WeakPolarHBondContact CZ3-OH 3.3Å; W4-K120 HydrophobicContact CZ3-CD 4.33Å; W4-K123 HydrophobicContact CD2-CD 4.24Å; W4-K123 HydrophobicContact CD2-CG 4.13Å; W4-K123 HydrophobicContact CE3-CD 4.41Å; W4-K123 HydrophobicContact CE3-CG 3.82Å; W4-K123 HydrophobicContact CH2-CB 4.1Å; W4-K123 HydrophobicContact CH2-CG 4.21Å; W4-K123 HydrophobicContact CZ2-CB 4.46Å; W4-K123 HydrophobicContact CZ2-CG 4.5Å; W4-K123 HydrophobicContact CZ3-CB 4.17Å; W4-K123 HydrophobicContact CZ3-CG 3.87Å
5D86.4Confident83.9Confident120 Ų12073.3 Ų73.364%0.64237%0.368SS*.G310 helixtrans-85.3-16.7177.6-54.5-41.3000111.7G2G2-D5 WeakPolarHBondContact CA-OD2 3.33Å; G2-D5 PolarHBondContact N-OD2 3.02Å; G2-D5 PolarHBondContact O-N 3.38Å
6L86.1Confident84.5Confident17 Ų1769.6 Ų69.69%0.08935%0.35CS..SBendtrans-84.4144.1-178.8-64.4170.7000111.3M1 D11 E14 K15 I18M1-L6 HydrophobicContact CG-CD2 4.46Å; L6-D11 HydrophobicContact CB-CB 4.15Å; L6-D11 HydrophobicContact CD2-CB 4.05Å; L6-E14 HydrophobicContact CD1-CB 4.03Å; L6-E14 HydrophobicContact CD1-CG 3.84Å; L6-E14 HydrophobicContact CD2-CG 4.44Å; L6-K15 HydrophobicContact CB-CD 4.31Å; L6-K15 HydrophobicContact CB-CG 3.86Å; L6-K15 HydrophobicContact CD1-CG 3.7Å; L6-K15 HydrophobicContact CG-CG 4.46Å; L6-K15 WeakPolarHBondContact O-CE 3.22Å; L6-K15 PolarHBondContact O-NZ 3.44Å; L6-I18 HydrophobicContact CD1-CD1 3.58Å
7Q83.4Confident85Confident110 Ų11074.5 Ų74.551%0.51436%0.364SS..PPolyproline II helixtrans-73.8132.4179.2-71.3-171.8-1.700111G9 K10 D11 K15Q7-G9 PolarHBondContact O-N 3.08Å; Q7-K10 HydrophobicContact CB-CB 4.43Å; Q7-D11 PolarHBondContact N-OD2 3.24Å; Q7-D11 VanDerWaalsContact N-OD2 3.07Å; Q7-K15 VanDerWaalsContact O-CE 3.29Å; Q7-K15 WeakPolarHBondContact O-CE 3.41Å
8E82.6Confident85.5Confident22 Ų2272.2 Ų72.210%0.10335%0.353CS..THydrogen-bonded Turntrans-64.9133.7171.3-61.5-60.6161.700109.7K10 K15 P78 Y84E8-K10 PolarHBondContact O-N 3.29Å; E8-K15 VanDerWaalsContact CD-NZ 3.29Å; E8-K15 IonicContact OE1-NZ 3.15Å; E8-K15 PolarHBondContact OE1-NZ 3.35Å; E8-K15 IonicContact OE2-NZ 2.75Å; E8-P78 HydrophobicContact CB-CB 3.91Å; E8-P78 WeakPolarHBondContact CB-O 3.34Å; E8-Y84 PolarHBondContact OE1-OH 3.47Å
9G79.4Confident86Confident12 Ų1269 Ų6912%0.12434%0.338CS..THydrogen-bonded Turntrans84.4-7.2178.100000116.6Q7 C69 Q73Q7-G9 PolarHBondContact O-N 3.08Å; G9-C69 VanDerWaalsContact CA-SG 3.57Å; G9-Q73 VanDerWaalsContact O-CD 3.28Å; G9-Q73 WeakPolarHBondContact O-CG 3.47Å
10K82.8Confident86.4Confident151 Ų15166.9 Ų66.966%0.65733%0.329SS*.THydrogen-bonded Turntrans-116.6-48.1178.4-62.6-173.1-165.9159.90113.4Q7 E8 C12Q7-K10 HydrophobicContact CB-CB 4.43Å; E8-K10 PolarHBondContact O-N 3.29Å; K10-C12 PolarHBondContact O-N 3.45Å; K10-C12 VanDerWaalsContact O-N 3.08Å
11D86.8Confident86.8Confident62 Ų6268.9 Ų68.933%0.33234%0.336SS..  trans-91.148.9-175.5-55.4-46.5000111.7L6 Q7 I13 E14 K15L6-D11 HydrophobicContact CB-CB 4.15Å; L6-D11 HydrophobicContact CD2-CB 4.05Å; Q7-D11 PolarHBondContact N-OD2 3.24Å; Q7-D11 VanDerWaalsContact N-OD2 3.07Å; D11-I13 PolarHBondContact O-N 3.04Å; D11-E14 PolarHBondContact O-N 3.33Å; D11-K15 PolarHBondContact O-N 2.89Å
12C87.3Confident88.5Confident22 Ų2265.1 Ų65.115%0.14932%0.319CS..Hα-helixtrans-60.6-43.6-169-610000113.6K10 T16 C69 Q73K10-C12 PolarHBondContact O-N 3.45Å; K10-C12 VanDerWaalsContact O-N 3.08Å; C12-T16 WeakPolarHBondContact O-CB 3.35Å; C12-T16 PolarHBondContact O-N 2.93Å; C12-T16 PolarHBondContact O-OG1 3.34Å; C12-C69 WeakPolarHBondContact CA-SG 3.26Å; C12-C69 HydrophobicContact CB-CB 3.65Å; C12-C69 WeakPolarHBondContact CB-SG 3.35Å; C12-C69 WeakPolarHBondContact SG-CB 3.41Å; C12-C69 CovalentContact SG-SG 2.02Å; C12-C69 PolarHBondContact SG-SG 3.37Å; C12-Q73 PolarHBondContact SG-NE2 3.06Å
13I90.6Very high89.1Confident145 Ų14563.9 Ų63.974%0.74431%0.307SS*.Hα-helixtrans-66.2-44-177.2-62.1175000109.7D11 T16 W17D11-I13 PolarHBondContact O-N 3.04Å; I13-T16 PolarHBondContact O-N 2.88Å; I13-W17 VanDerWaalsContact O-CB 3.27Å; I13-W17 WeakPolarHBondContact O-CB 3.26Å; I13-W17 PolarHBondContact O-N 3.2Å
14E91.4Very high89.5Confident89 Ų8964.9 Ų64.942%0.41632%0.316SS..Hα-helixtrans-69.7-43.8-177.6-163.9172.9172.100111.5L6 D11 T16 W17 I18L6-E14 HydrophobicContact CD1-CB 4.03Å; L6-E14 HydrophobicContact CD1-CG 3.84Å; L6-E14 HydrophobicContact CD2-CG 4.44Å; D11-E14 PolarHBondContact O-N 3.33Å; E14-T16 PolarHBondContact O-N 3.31Å; E14-W17 PolarHBondContact O-N 3.44Å; E14-I18 HydrophobicContact CG-CD1 4.31Å; E14-I18 VanDerWaalsContact O-CG1 3.28Å; E14-I18 WeakPolarHBondContact O-CG1 3.46Å; E14-I18 PolarHBondContact O-N 2.87Å
15K90.3Very high89.8Confident0 Ų062.2 Ų62.20%032%0.316CS..Hα-helixtrans-59.6-45.7173.1-81.1-173.7-176.7-87.30111.9Y3 L6 Q7 E8 D11 W17 I18 T19Y3-K15 HydrophobicContact CD2-CB 4.24Å; Y3-K15 HydrophobicContact CD2-CG 4.07Å; Y3-K15 HydrophobicContact CE2-CB 3.88Å; Y3-K15 HydrophobicContact CE2-CD 4.16Å; Y3-K15 HydrophobicContact CE2-CG 3.92Å; Y3-K15 PolarHBondContact O-NZ 3.41Å; L6-K15 HydrophobicContact CB-CD 4.31Å; L6-K15 HydrophobicContact CB-CG 3.86Å; L6-K15 HydrophobicContact CD1-CG 3.7Å; L6-K15 HydrophobicContact CG-CG 4.46Å; L6-K15 WeakPolarHBondContact O-CE 3.22Å; L6-K15 PolarHBondContact O-NZ 3.44Å; Q7-K15 VanDerWaalsContact O-CE 3.29Å; Q7-K15 WeakPolarHBondContact O-CE 3.41Å; E8-K15 VanDerWaalsContact CD-NZ 3.29Å; E8-K15 IonicContact OE1-NZ 3.15Å; E8-K15 PolarHBondContact OE1-NZ 3.35Å; E8-K15 IonicContact OE2-NZ 2.75Å; D11-K15 PolarHBondContact O-N 2.89Å; K15-W17 VanDerWaalsContact C-N 3.31Å; K15-W17 PolarHBondContact O-N 3.31Å; K15-I18 PolarHBondContact O-N 3.41Å; K15-T19 WeakPolarHBondContact O-CG2 3.48Å; K15-T19 PolarHBondContact O-N 3.38Å; K15-T19 PolarHBondContact O-OG1 2.69Å
16T93.2Very high90.2Very high14 Ų1462 Ų629%0.08631%0.314CS..Hα-helixtrans-61.3-41.5177-60.80000111.5C12 I13 E14 I18 T19 T20 A62 G65 M66C12-T16 WeakPolarHBondContact O-CB 3.35Å; C12-T16 PolarHBondContact O-N 2.93Å; C12-T16 PolarHBondContact O-OG1 3.34Å; I13-T16 PolarHBondContact O-N 2.88Å; E14-T16 PolarHBondContact O-N 3.31Å; T16-I18 VanDerWaalsContact C-N 3.34Å; T16-I18 PolarHBondContact O-N 3.31Å; T16-T19 WeakPolarHBondContact CA-OG1 3.44Å; T16-T19 PolarHBondContact O-N 2.93Å; T16-T19 PolarHBondContact O-OG1 3.37Å; T16-T20 VanDerWaalsContact O-CB 3.26Å; T16-T20 WeakPolarHBondContact O-CB 3.29Å; T16-T20 PolarHBondContact O-N 3.45Å; T16-T20 PolarHBondContact O-OG1 2.91Å; T16-A62 HydrophobicContact CG2-CB 4.31Å; T16-G65 VanDerWaalsContact OG1-C 3.27Å; T16-M66 HydrophobicContact CG2-CG 3.66Å; T16-M66 HydrophobicContact CG2-SD 4.15Å; T16-M66 PolarHBondContact OG1-N 3.37Å
17W93.4Very high90.5Very high154 Ų15461.3 Ų61.358%0.58331%0.312SS*.Hα-helixtrans-63.8-41.6177.8-177.6-121.6000111.8I13 E14 K15 T20 K21I13-W17 VanDerWaalsContact O-CB 3.27Å; I13-W17 WeakPolarHBondContact O-CB 3.26Å; I13-W17 PolarHBondContact O-N 3.2Å; E14-W17 PolarHBondContact O-N 3.44Å; K15-W17 VanDerWaalsContact C-N 3.31Å; K15-W17 PolarHBondContact O-N 3.31Å; W17-T20 PolarHBondContact O-N 2.89Å; W17-K21 WeakPolarHBondContact O-CB 3.4Å; W17-K21 WeakPolarHBondContact O-CG 3.46Å; W17-K21 PolarHBondContact O-N 3.41Å
18I94.1Very high90.9Very high32 Ų3261 Ų6116%0.16431%0.313CS..Hα-helixtrans-64.9-46.4176.3-65.1163.9000110.9Y3 L6 E14 K15 T16 T20 K21 L22Y3-I18 HydrophobicContact CD2-CB 4.49Å; Y3-I18 HydrophobicContact CD2-CG2 4.34Å; L6-I18 HydrophobicContact CD1-CD1 3.58Å; E14-I18 HydrophobicContact CG-CD1 4.31Å; E14-I18 VanDerWaalsContact O-CG1 3.28Å; E14-I18 WeakPolarHBondContact O-CG1 3.46Å; E14-I18 PolarHBondContact O-N 2.87Å; K15-I18 PolarHBondContact O-N 3.41Å; T16-I18 VanDerWaalsContact C-N 3.34Å; T16-I18 PolarHBondContact O-N 3.31Å; I18-T20 VanDerWaalsContact C-N 3.33Å; I18-T20 PolarHBondContact O-N 3.26Å; I18-K21 PolarHBondContact O-N 3.03Å; I18-L22 HydrophobicContact CG2-CD1 4.15Å; I18-L22 WeakPolarHBondContact O-CG 3.43Å; I18-L22 PolarHBondContact O-N 3.45Å
19T93.8Very high91.5Very high12 Ų1263.8 Ų63.87%0.07433%0.332CS..Hα-helixtrans-66.9-35.7178.855.80000112.1Y3 K15 T16 L22 G23 G61 F64Y3-T19 HydrophobicContact CD2-CG2 3.89Å; Y3-T19 HydrophobicContact CE2-CG2 3.4Å; Y3-T19 VanDerWaalsContact CE2-CG2 3.4Å; K15-T19 WeakPolarHBondContact O-CG2 3.48Å; K15-T19 PolarHBondContact O-N 3.38Å; K15-T19 PolarHBondContact O-OG1 2.69Å; T16-T19 WeakPolarHBondContact CA-OG1 3.44Å; T16-T19 PolarHBondContact O-N 2.93Å; T16-T19 PolarHBondContact O-OG1 3.37Å; T19-L22 PolarHBondContact O-N 2.99Å; T19-G23 PolarHBondContact O-N 2.84Å; T19-G61 VanDerWaalsContact CB-O 3.28Å; T19-G61 WeakPolarHBondContact CB-O 3.35Å; T19-G61 PolarHBondContact OG1-O 2.92Å; T19-F64 HydrophobicContact CG2-CD1 4.01Å; T19-F64 HydrophobicContact CG2-CE1 4.31Å
20T94.9Very high92Very high26 Ų2665.1 Ų65.116%0.1635%0.345CS..Hα-helixtrans-63-46.3173.1-55.90000110.8T16 W17 I18 L22 G23 T24 A58 A62T16-T20 VanDerWaalsContact O-CB 3.26Å; T16-T20 WeakPolarHBondContact O-CB 3.29Å; T16-T20 PolarHBondContact O-N 3.45Å; T16-T20 PolarHBondContact O-OG1 2.91Å; W17-T20 PolarHBondContact O-N 2.89Å; I18-T20 VanDerWaalsContact C-N 3.33Å; I18-T20 PolarHBondContact O-N 3.26Å; T20-L22 PolarHBondContact O-N 3.33Å; T20-G23 CarbonylContact O-C 3.59Å; T20-G23 PolarHBondContact O-N 2.7Å; T20-T24 WeakPolarHBondContact O-CG2 3.49Å; T20-T24 PolarHBondContact O-N 3.4Å; T20-T24 PolarHBondContact O-OG1 3.46Å; T20-A58 HydrophobicContact CG2-CB 4.3Å; T20-A62 HydrophobicContact CG2-CB 4.42Å; T20-A62 VanDerWaalsContact OG1-CA 3.29Å; T20-A62 WeakPolarHBondContact OG1-CA 3.19Å; T20-A62 VanDerWaalsContact OG1-CB 3.31Å; T20-A62 WeakPolarHBondContact OG1-CB 3.49Å; T20-A62 PolarHBondContact OG1-N 3.36Å
21K94.4Very high92.4Very high110 Ų11058.5 Ų58.548%0.47832%0.318SS..Hα-helixtrans-59.2-46.2175.5-80.8176.9166.1177.60111.9W17 I18 G23 T24 A25W17-K21 WeakPolarHBondContact O-CB 3.4Å; W17-K21 WeakPolarHBondContact O-CG 3.46Å; W17-K21 PolarHBondContact O-N 3.41Å; I18-K21 PolarHBondContact O-N 3.03Å; K21-G23 VanDerWaalsContact C-N 3.33Å; K21-G23 PolarHBondContact O-N 3.44Å; K21-T24 WeakPolarHBondContact CA-OG1 3.37Å; K21-T24 PolarHBondContact O-N 2.85Å; K21-T24 PolarHBondContact O-OG1 3.25Å; K21-A25 PolarHBondContact O-N 2.86Å
22L94.1Very high92.6Very high102 Ų10258.1 Ų58.153%0.53432%0.323SS..Hα-helixtrans-59.7-44.6175.1-71.2170.1000111.3I18 T19 T20 T24 A25 L26I18-L22 HydrophobicContact CG2-CD1 4.15Å; I18-L22 WeakPolarHBondContact O-CG 3.43Å; I18-L22 PolarHBondContact O-N 3.45Å; T19-L22 PolarHBondContact O-N 2.99Å; T20-L22 PolarHBondContact O-N 3.33Å; L22-T24 PolarHBondContact O-N 2.87Å; L22-A25 PolarHBondContact O-N 2.67Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.32Å
23G93.3Very high92.9Very high8 Ų865.3 Ų65.38%0.08235%0.349CS..Hα-helixtrans-58.9-45.1174.300000112.9T19 T20 K21 L26 G27 M57T19-G23 PolarHBondContact O-N 2.84Å; T20-G23 CarbonylContact O-C 3.59Å; T20-G23 PolarHBondContact O-N 2.7Å; K21-G23 VanDerWaalsContact C-N 3.33Å; K21-G23 PolarHBondContact O-N 3.44Å; G23-L26 PolarHBondContact O-N 2.89Å; G23-G27 PolarHBondContact O-N 3.36Å; G23-M57 VanDerWaalsContact O-CB 3.23Å; G23-M57 WeakPolarHBondContact O-CB 3.27Å
24T94.1Very high92.9Very high47 Ų4762.7 Ų62.729%0.28833%0.333SS..Hα-helixtrans-62.5-43.7176.557.50000112.2T20 K21 L22 G27 L28 A58T20-T24 WeakPolarHBondContact O-CG2 3.49Å; T20-T24 PolarHBondContact O-N 3.4Å; T20-T24 PolarHBondContact O-OG1 3.46Å; K21-T24 WeakPolarHBondContact CA-OG1 3.37Å; K21-T24 PolarHBondContact O-N 2.85Å; K21-T24 PolarHBondContact O-OG1 3.25Å; L22-T24 PolarHBondContact O-N 2.87Å; T24-G27 PolarHBondContact O-N 2.92Å; T24-L28 WeakPolarHBondContact O-CG 3.19Å; T24-L28 PolarHBondContact O-N 3.25Å; T24-A58 HydrophobicContact CG2-CB 3.36Å
25A94.3Very high92.9Very high51 Ų5160.5 Ų60.542%0.42132%0.324SS..Hα-helixtrans-62.8-46.8179.200000111.1K21 L22 G27 L28 V29K21-A25 PolarHBondContact O-N 2.86Å; L22-A25 PolarHBondContact O-N 2.67Å; A25-G27 VanDerWaalsContact C-N 3.31Å; A25-G27 PolarHBondContact O-N 2.98Å; A25-L28 PolarHBondContact O-N 2.95Å; A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.45Å
26L93.6Very high92.9Very high115 Ų11566 Ų6660%0.60236%0.357SS*.Hα-helixtrans-62.8-38.6175.3-68.4173.4000112L22 G23 G30L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.32Å; G23-L26 PolarHBondContact O-N 2.89Å; L26-G30 PolarHBondContact O-N 2.7Å
27G92.3Very high92.9Very high4 Ų468.7 Ų68.74%0.04138%0.381CS..Hα-helixtrans-64.7-40.3176.300000113.5G23 T24 A25 S31G23-G27 PolarHBondContact O-N 3.36Å; T24-G27 PolarHBondContact O-N 2.92Å; A25-G27 VanDerWaalsContact C-N 3.31Å; A25-G27 PolarHBondContact O-N 2.98Å; G27-S31 WeakPolarHBondContact O-CB 3.21Å; G27-S31 PolarHBondContact O-N 3.44Å; G27-S31 PolarHBondContact O-OG 3.42Å
28L92.8Very high92.8Very high102 Ų10267.7 Ų67.753%0.53438%0.381SS..Hα-helixtrans-66.6-47175.5-77170.9000111.5T24 A25 S31 A32 T54T24-L28 WeakPolarHBondContact O-CG 3.19Å; T24-L28 PolarHBondContact O-N 3.25Å; A25-L28 PolarHBondContact O-N 2.95Å; L28-S31 PolarHBondContact O-N 3.43Å; L28-A32 WeakPolarHBondContact O-CB 3.32Å; L28-A32 PolarHBondContact O-N 3.46Å; L28-T54 HydrophobicContact CD2-CG2 4.02Å; L28-T54 HydrophobicContact CG-CG2 3.79Å
29V93.8Very high92.5Very high82 Ų8273.9 Ų73.950%0.49741%0.409SS..Hα-helixtrans-61.2-48.3177.2173.60000110.4A25 S31 A32 Y33A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.45Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 2.91Å; V29-A32 WeakPolarHBondContact O-CB 3.37Å; V29-A32 PolarHBondContact O-N 2.86Å; V29-Y33 HydrophobicContact CG1-CD2 3.84Å; V29-Y33 HydrophobicContact CG1-CE2 3.68Å; V29-Y33 VanDerWaalsContact O-CD2 3.26Å; V29-Y33 WeakPolarHBondContact O-CD2 3.45Å; V29-Y33 PolarHBondContact O-N 3.47Å
30G91.1Very high92.2Very high40 Ų4074.7 Ų74.741%0.41241%0.414SS..Hα-helixtrans-60.4-41.1177.100000112.5L26 Y33 H34L26-G30 PolarHBondContact O-N 2.7Å; G30-Y33 PolarHBondContact O-N 2.87Å; G30-H34 WeakPolarHBondContact O-CB 3.4Å; G30-H34 PolarHBondContact O-N 3.1Å
31S90.6Very high91.9Very high11 Ų1180.6 Ų80.68%0.07745%0.445CS..Hα-helixtrans-65.1-39.6175.9-63.60000112.4G27 L28 V29 H34 I35 A50G27-S31 WeakPolarHBondContact O-CB 3.21Å; G27-S31 PolarHBondContact O-N 3.44Å; G27-S31 PolarHBondContact O-OG 3.42Å; L28-S31 PolarHBondContact O-N 3.43Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 2.91Å; S31-H34 PolarHBondContact O-N 3.38Å; S31-I35 VanDerWaalsContact O-CG1 3.29Å; S31-I35 WeakPolarHBondContact O-CG1 3.31Å; S31-I35 PolarHBondContact O-N 2.81Å; S31-A50 PolarHBondContact OG-O 3.39Å
32A91.3Very high91.7Very high54 Ų5477.6 Ų77.645%0.44644%0.438SS..Hα-helixtrans-61.5-48.6176.500000111L28 V29 H34 I35 V36L28-A32 WeakPolarHBondContact O-CB 3.32Å; L28-A32 PolarHBondContact O-N 3.46Å; V29-A32 WeakPolarHBondContact O-CB 3.37Å; V29-A32 PolarHBondContact O-N 2.86Å; A32-H34 VanDerWaalsContact C-N 3.34Å; A32-H34 PolarHBondContact O-N 3.12Å; A32-I35 PolarHBondContact O-N 3.41Å; A32-V36 WeakPolarHBondContact O-CG2 3.34Å; A32-V36 PolarHBondContact O-N 2.95Å
33Y93.1Very high91.5Very high174 Ų17476.4 Ų76.468%0.68244%0.443SS*.Hα-helixtrans-61-42174.6-80.5-71.5000112.3V29 G30 I35 V36 A37V29-Y33 HydrophobicContact CG1-CD2 3.84Å; V29-Y33 HydrophobicContact CG1-CE2 3.68Å; V29-Y33 VanDerWaalsContact O-CD2 3.26Å; V29-Y33 WeakPolarHBondContact O-CD2 3.45Å; V29-Y33 PolarHBondContact O-N 3.47Å; G30-Y33 PolarHBondContact O-N 2.87Å; Y33-I35 VanDerWaalsContact C-N 3.35Å; Y33-I35 PolarHBondContact O-N 3.19Å; Y33-V36 PolarHBondContact O-N 3.46Å; Y33-A37 WeakPolarHBondContact O-CB 3.38Å; Y33-A37 PolarHBondContact O-N 3.43Å
34H90.1Very high91.4Very high89 Ų8981.6 Ų81.641%0.41247%0.468SS..Hα-helixtrans-62.8-39.9178.8-175.9-83.2000112.4G30 S31 A32 F38G30-H34 WeakPolarHBondContact O-CB 3.4Å; G30-H34 PolarHBondContact O-N 3.1Å; S31-H34 PolarHBondContact O-N 3.38Å; A32-H34 VanDerWaalsContact C-N 3.34Å; A32-H34 PolarHBondContact O-N 3.12Å; H34-F38 AromaticContact NE2-CD2 3.97Å; H34-F38 WeakPolarHBondContact O-CB 3.4Å; H34-F38 PolarHBondContact O-N 3.48Å
35I91.6Very high91.2Very high44 Ų4482.7 Ų82.723%0.22647%0.47CS..Hα-helixtrans-69.4-38.3177.3-70.4166.1000111.5S31 A32 Y33 F38 Q39 P40 A46 A50S31-I35 VanDerWaalsContact O-CG1 3.29Å; S31-I35 WeakPolarHBondContact O-CG1 3.31Å; S31-I35 PolarHBondContact O-N 2.81Å; A32-I35 PolarHBondContact O-N 3.41Å; Y33-I35 VanDerWaalsContact C-N 3.35Å; Y33-I35 PolarHBondContact O-N 3.19Å; I35-F38 CarbonylContact O-C 3.34Å; I35-Q39 WeakPolarHBondContact O-CA 3.22Å; I35-Q39 PolarHBondContact O-N 2.85Å; I35-P40 HydrophobicContact CG2-CG 4.32Å; I35-A46 HydrophobicContact CD1-CB 4.39Å; I35-A50 HydrophobicContact CD1-CB 3.97Å
36V91.9Very high90.9Very high114 Ų11481.2 Ų81.269%0.69146%0.457SS*.Hα-helixtrans-68.4-42.2177.5172.40000111.2A32 Y33A32-V36 WeakPolarHBondContact O-CG2 3.34Å; A32-V36 PolarHBondContact O-N 2.95Å; Y33-V36 PolarHBondContact O-N 3.46Å
37A92.4Very high90.9Very high72 Ų7279.9 Ų79.960%0.59545%0.454SS*.Hα-helixtrans-72.9-38.3178.600000112.7Y33Y33-A37 WeakPolarHBondContact O-CB 3.38Å; Y33-A37 PolarHBondContact O-N 3.43Å
38F91.2Very high90.9Very high132 Ų13285 Ų8558%0.57948%0.477SS*.SBendtrans-124.285.4-179.1-59.6-72.7000110.2H34 I35 R49H34-F38 AromaticContact NE2-CD2 3.97Å; H34-F38 WeakPolarHBondContact O-CB 3.4Å; H34-F38 PolarHBondContact O-N 3.48Å; I35-F38 CarbonylContact O-C 3.34Å; F38-R49 PolarHBondContact O-NH1 3.28Å
39Q87.6Confident90.7Very high163 Ų16384.8 Ų84.876%0.76247%0.469SS*.  trans-58.1127.2-177.6-68.9-170.6-37.400110.9I35I35-Q39 WeakPolarHBondContact O-CA 3.22Å; I35-Q39 PolarHBondContact O-N 2.85Å
40P87.8Confident90.6Very high28 Ų2882 Ų8218%0.18245%0.454CS..  trans-80148.4174.230.2-30.3000110.7I35 S42 Q45 A46I35-P40 HydrophobicContact CG2-CG 4.32Å; P40-S42 PolarHBondContact O-N 3.03Å; P40-Q45 HydrophobicContact CB-CB 4.11Å; P40-A46 HydrophobicContact CB-CB 4.3Å; P40-A46 HydrophobicContact CG-CB 3.48Å; P40-A46 VanDerWaalsContact CG-CB 3.48Å
41D88.2Confident90.7Very high151 Ų15183.5 Ų83.581%0.80746%0.455SS*.SBendtrans-71.3-13.7179.6-56.6-48.4000112.7
42S91.6Very high90.7Very high46 Ų4687.5 Ų87.532%0.32248%0.476SS..SBendtrans-148.1154.2179.664.10000113.5P40 I44 Q45 A46P40-S42 PolarHBondContact O-N 3.03Å; S42-I44 VanDerWaalsContact C-N 3.3Å; S42-I44 PolarHBondContact O-N 2.97Å; S42-Q45 PolarHBondContact O-N 3.4Å; S42-Q45 WeakPolarHBondContact OG-CB 3.38Å; S42-Q45 VanDerWaalsContact OG-CG 3.22Å; S42-Q45 WeakPolarHBondContact OG-CG 3.23Å; S42-Q45 PolarHBondContact OG-N 3.13Å; S42-A46 PolarHBondContact O-N 3.3Å; S42-A46 VanDerWaalsContact O-N 3.08Å
43A89.7Confident90.7Very high78 Ų7886.2 Ų86.265%0.64547%0.468SS*.Hα-helixtrans-61.7-36.1176.600000112.7A46 V47A43-A46 VanDerWaalsContact O-CB 3.3Å; A43-A46 WeakPolarHBondContact O-CB 3.31Å; A43-A46 PolarHBondContact O-N 2.65Å; A43-V47 WeakPolarHBondContact O-CG2 3.41Å; A43-V47 PolarHBondContact O-N 3.35Å
44I91.4Very high90.7Very high117 Ų11778.8 Ų78.860%0.644%0.441SS*.Hα-helixtrans-66.8-42.1178-64.3-61.3000111.2S42 A46 V47 Q48S42-I44 VanDerWaalsContact C-N 3.3Å; S42-I44 PolarHBondContact O-N 2.97Å; I44-A46 VanDerWaalsContact C-N 3.27Å; I44-A46 PolarHBondContact O-N 2.83Å; I44-V47 PolarHBondContact O-N 2.94Å; I44-Q48 HydrophobicContact CG2-CG 4.41Å; I44-Q48 WeakPolarHBondContact O-CB 3.26Å; I44-Q48 WeakPolarHBondContact O-CG 3.33Å; I44-Q48 PolarHBondContact O-N 2.84Å
45Q89.1Confident91Very high70 Ų7078.3 Ų78.333%0.32744%0.444SS..Hα-helixtrans-63.1-36.6174.2-74.8176.5300111.6P40 S42 Q48 R49P40-Q45 HydrophobicContact CB-CB 4.11Å; S42-Q45 PolarHBondContact O-N 3.4Å; S42-Q45 WeakPolarHBondContact OG-CB 3.38Å; S42-Q45 VanDerWaalsContact OG-CG 3.22Å; S42-Q45 WeakPolarHBondContact OG-CG 3.23Å; S42-Q45 PolarHBondContact OG-N 3.13Å; Q45-Q48 PolarHBondContact O-N 3.49Å; Q45-R49 WeakPolarHBondContact O-CB 3.36Å; Q45-R49 VanDerWaalsContact O-CG 3.27Å; Q45-R49 WeakPolarHBondContact O-CG 3.27Å; Q45-R49 PolarHBondContact O-N 3.26Å
46A88.8Confident91.1Very high19 Ų1977.2 Ų77.216%0.15744%0.439CS..Hα-helixtrans-59.4-49.1174.100000111.4I35 P40 S42 A43 I44 R49 A50I35-A46 HydrophobicContact CD1-CB 4.39Å; P40-A46 HydrophobicContact CB-CB 4.3Å; P40-A46 HydrophobicContact CG-CB 3.48Å; P40-A46 VanDerWaalsContact CG-CB 3.48Å; S42-A46 PolarHBondContact O-N 3.3Å; S42-A46 VanDerWaalsContact O-N 3.08Å; A43-A46 VanDerWaalsContact O-CB 3.3Å; A43-A46 WeakPolarHBondContact O-CB 3.31Å; A43-A46 PolarHBondContact O-N 2.65Å; I44-A46 VanDerWaalsContact C-N 3.27Å; I44-A46 PolarHBondContact O-N 2.83Å; A46-R49 PolarHBondContact O-N 3.29Å; A46-A50 WeakPolarHBondContact O-CB 3.37Å; A46-A50 PolarHBondContact O-N 2.96Å
47V92.7Very high91.2Very high88 Ų8875.1 Ų75.153%0.53342%0.422SS..Hα-helixtrans-63.5-44.1179.1173.10000111.1A43 I44 A50 T51A43-V47 WeakPolarHBondContact O-CG2 3.41Å; A43-V47 PolarHBondContact O-N 3.35Å; I44-V47 PolarHBondContact O-N 2.94Å; V47-A50 PolarHBondContact O-N 2.93Å; V47-T51 VanDerWaalsContact O-CB 3.27Å; V47-T51 WeakPolarHBondContact O-CB 3.28Å; V47-T51 PolarHBondContact O-N 3.47Å; V47-T51 PolarHBondContact O-OG1 3.48Å
48Q91.7Very high91.3Very high112 Ų11272.4 Ų72.452%0.52340%0.4SS..Hα-helixtrans-61.9-44.6177.3-75.2178.4-24.100112.1I44 Q45 T51 N52I44-Q48 HydrophobicContact CG2-CG 4.41Å; I44-Q48 WeakPolarHBondContact O-CB 3.26Å; I44-Q48 WeakPolarHBondContact O-CG 3.33Å; I44-Q48 PolarHBondContact O-N 2.84Å; Q45-Q48 PolarHBondContact O-N 3.49Å; Q48-T51 PolarHBondContact O-N 3.45Å; Q48-N52 VanDerWaalsContact O-CB 3.32Å; Q48-N52 WeakPolarHBondContact O-CB 3.26Å; Q48-N52 VanDerWaalsContact O-CG 3.3Å; Q48-N52 PolarHBondContact O-N 3.15Å; Q48-N52 PolarHBondContact O-ND2 3.5Å
49R89.1Confident91.5Very high97 Ų9767.3 Ų67.337%0.36638%0.382SS..Hα-helixtrans-61.4-48.1175.9-73.7177.5-172.2176.65.6111.2F38 Q45 A46 T51 N52 G53F38-R49 PolarHBondContact O-NH1 3.28Å; Q45-R49 WeakPolarHBondContact O-CB 3.36Å; Q45-R49 VanDerWaalsContact O-CG 3.27Å; Q45-R49 WeakPolarHBondContact O-CG 3.27Å; Q45-R49 PolarHBondContact O-N 3.26Å; A46-R49 PolarHBondContact O-N 3.29Å; R49-T51 VanDerWaalsContact C-N 3.34Å; R49-T51 PolarHBondContact O-N 3.24Å; R49-N52 PolarHBondContact O-N 3.21Å; R49-G53 PolarHBondContact O-N 2.91Å
50A91.4Very high91.9Very high23 Ų2360.3 Ų60.319%0.1935%0.35CS..Hα-helixtrans-61.4-42.8178.200000112.4S31 I35 A46 V47 T54S31-A50 PolarHBondContact OG-O 3.39Å; I35-A50 HydrophobicContact CD1-CB 3.97Å; A46-A50 WeakPolarHBondContact O-CB 3.37Å; A46-A50 PolarHBondContact O-N 2.96Å; V47-A50 PolarHBondContact O-N 2.93Å; A50-T54 WeakPolarHBondContact O-CB 3.43Å; A50-T54 PolarHBondContact O-N 3.48Å; A50-T54 PolarHBondContact O-OG1 3.45Å
51T92.9Very high92.2Very high71 Ų7159.5 Ų59.544%0.43635%0.347SS..Hα-helixtrans-65.6-49.2-179.8-55.80000110.3V47 Q48 R49 G53 T54 V55V47-T51 VanDerWaalsContact O-CB 3.27Å; V47-T51 WeakPolarHBondContact O-CB 3.28Å; V47-T51 PolarHBondContact O-N 3.47Å; V47-T51 PolarHBondContact O-OG1 3.48Å; Q48-T51 PolarHBondContact O-N 3.45Å; R49-T51 VanDerWaalsContact C-N 3.34Å; R49-T51 PolarHBondContact O-N 3.24Å; T51-G53 PolarHBondContact O-N 3.49Å; T51-T54 PolarHBondContact O-N 2.98Å; T51-V55 HydrophobicContact CG2-CG2 4.12Å; T51-V55 VanDerWaalsContact O-CB 3.31Å; T51-V55 WeakPolarHBondContact O-CB 3.46Å; T51-V55 VanDerWaalsContact O-CG2 3.22Å; T51-V55 WeakPolarHBondContact O-CG2 3.35Å; T51-V55 PolarHBondContact O-N 3.04Å
52N92.1Very high92.5Very high96 Ų9653.6 Ų53.651%0.51332%0.319SS..Hα-helixtrans-62.2-42.7180-76.2-21.9000112.3Q48 R49 T56Q48-N52 VanDerWaalsContact O-CB 3.32Å; Q48-N52 WeakPolarHBondContact O-CB 3.26Å; Q48-N52 VanDerWaalsContact O-CG 3.3Å; Q48-N52 PolarHBondContact O-N 3.15Å; Q48-N52 PolarHBondContact O-ND2 3.5Å; R49-N52 PolarHBondContact O-N 3.21Å; N52-T56 VanDerWaalsContact O-CB 3.31Å; N52-T56 WeakPolarHBondContact O-CB 3.43Å; N52-T56 PolarHBondContact O-N 3.27Å; N52-T56 VanDerWaalsContact O-N 3.13Å; N52-T56 PolarHBondContact O-OG1 2.89Å
53G91.1Very high92.8Very high27 Ų2753.6 Ų53.628%0.27832%0.315SS..Hα-helixtrans-63.5-5017600000111.8R49 T51 T56 M57R49-G53 PolarHBondContact O-N 2.91Å; T51-G53 PolarHBondContact O-N 3.49Å; G53-T56 PolarHBondContact O-N 3.48Å; G53-M57 WeakPolarHBondContact O-CG 3.41Å; G53-M57 PolarHBondContact O-N 2.7Å
54T93.3Very high93Very high18 Ų1851.5 Ų51.511%0.1129%0.291CS..Hα-helixtrans-63.7-47-177.9-55.60000112.3L28 A50 T51 T56 M57 A58L28-T54 HydrophobicContact CD2-CG2 4.02Å; L28-T54 HydrophobicContact CG-CG2 3.79Å; A50-T54 WeakPolarHBondContact O-CB 3.43Å; A50-T54 PolarHBondContact O-N 3.48Å; A50-T54 PolarHBondContact O-OG1 3.45Å; T51-T54 PolarHBondContact O-N 2.98Å; T54-T56 VanDerWaalsContact C-N 3.28Å; T54-T56 PolarHBondContact O-N 3.38Å; T54-M57 PolarHBondContact O-N 3.41Å; T54-A58 WeakPolarHBondContact O-CB 3.23Å; T54-A58 PolarHBondContact O-N 2.94Å
55V94.6Very high93.1Very high79 Ų7946 Ų4648%0.47926%0.263SS..Hα-helixtrans-63.1-37.8178.8170.70000110.9T51 A58 A59T51-V55 HydrophobicContact CG2-CG2 4.12Å; T51-V55 VanDerWaalsContact O-CB 3.31Å; T51-V55 WeakPolarHBondContact O-CB 3.46Å; T51-V55 VanDerWaalsContact O-CG2 3.22Å; T51-V55 WeakPolarHBondContact O-CG2 3.35Å; T51-V55 PolarHBondContact O-N 3.04Å; V55-A58 PolarHBondContact O-N 3.43Å; V55-A59 WeakPolarHBondContact O-CB 2.92Å; V55-A59 PolarHBondContact O-N 3.44Å
56T93.9Very high93.4Very high20 Ų2046.7 Ų46.712%0.12327%0.267CS..Hα-helixtrans-64.9-46.8177.3-56.30000110.8N52 G53 T54 A58 A59 L60 F94 L95 R98N52-T56 VanDerWaalsContact O-CB 3.31Å; N52-T56 WeakPolarHBondContact O-CB 3.43Å; N52-T56 PolarHBondContact O-N 3.27Å; N52-T56 VanDerWaalsContact O-N 3.13Å; N52-T56 PolarHBondContact O-OG1 2.89Å; G53-T56 PolarHBondContact O-N 3.48Å; T54-T56 VanDerWaalsContact C-N 3.28Å; T54-T56 PolarHBondContact O-N 3.38Å; T56-A58 VanDerWaalsContact C-N 3.34Å; T56-A58 PolarHBondContact O-N 3.46Å; T56-A59 PolarHBondContact O-N 2.93Å; T56-L60 WeakPolarHBondContact O-CG 3.23Å; T56-L60 PolarHBondContact O-N 2.86Å; T56-F94 HydrophobicContact CG2-CE1 4.47Å; T56-L95 HydrophobicContact CG2-CD1 4.21Å; T56-R98 HydrophobicContact CG2-CB 4.39Å; T56-R98 HydrophobicContact CG2-CG 4.29Å; T56-R98 PolarHBondContact OG1-NE 2.97Å; T56-R98 PolarHBondContact OG1-NH2 3.21Å
57M93.9Very high93.7Very high70 Ų7047.6 Ų47.635%0.34527%0.271SS..Hα-helixtrans-65.9-36177.2-65.4-59.2-6500113G23 G53 T54 L60 G61G23-M57 VanDerWaalsContact O-CB 3.23Å; G23-M57 WeakPolarHBondContact O-CB 3.27Å; G53-M57 WeakPolarHBondContact O-CG 3.41Å; G53-M57 PolarHBondContact O-N 2.7Å; T54-M57 PolarHBondContact O-N 3.41Å; M57-L60 HydrophobicContact CE-CD1 4.48Å; M57-L60 PolarHBondContact O-N 2.94Å; M57-L60 HydrophobicContact SD-CD1 3.76Å; M57-G61 PolarHBondContact O-N 2.65Å; M57-G61 VanDerWaalsContact O-N 3.1Å
58A95Very high93.8Very high15 Ų1543.4 Ų43.412%0.12425%0.246CC..Hα-helixtrans-60-48.3172.800000111.4T20 T24 T54 V55 T56 L60 G61 A62T20-A58 HydrophobicContact CG2-CB 4.3Å; T24-A58 HydrophobicContact CG2-CB 3.36Å; T54-A58 WeakPolarHBondContact O-CB 3.23Å; T54-A58 PolarHBondContact O-N 2.94Å; V55-A58 PolarHBondContact O-N 3.43Å; T56-A58 VanDerWaalsContact C-N 3.34Å; T56-A58 PolarHBondContact O-N 3.46Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 2.93Å; A58-G61 PolarHBondContact O-N 2.99Å; A58-A62 PolarHBondContact O-N 2.85Å
59A95.4Very high93.8Very high25 Ų2538.1 Ų38.121%0.20722%0.221CC..Hα-helixtrans-63.5-37.9178.500000112V55 T56 G61 A62 I63 F94V55-A59 WeakPolarHBondContact O-CB 2.92Å; V55-A59 PolarHBondContact O-N 3.44Å; T56-A59 PolarHBondContact O-N 2.93Å; A59-G61 PolarHBondContact O-N 3.24Å; A59-A62 PolarHBondContact O-N 2.69Å; A59-I63 WeakPolarHBondContact O-CB 3.28Å; A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.31Å; A59-I63 PolarHBondContact O-N 2.82Å; A59-F94 HydrophobicContact CB-CD1 4.4Å; A59-F94 HydrophobicContact CB-CE1 3.47Å; A59-F94 VanDerWaalsContact CB-CE1 3.47Å; A59-F94 HydrophobicContact CB-CZ 3.6Å
60L95.4Very high94Very high16 Ų1638 Ų388%0.08423%0.227CC..Hα-helixtrans-59.1-47172.8-68.2173.8000111.8T56 M57 A58 A62 I63 F64 S91 F94 L95T56-L60 WeakPolarHBondContact O-CG 3.23Å; T56-L60 PolarHBondContact O-N 2.86Å; M57-L60 HydrophobicContact CE-CD1 4.48Å; M57-L60 PolarHBondContact O-N 2.94Å; M57-L60 HydrophobicContact SD-CD1 3.76Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 2.93Å; L60-A62 VanDerWaalsContact C-N 3.35Å; L60-A62 PolarHBondContact O-N 3.49Å; L60-I63 PolarHBondContact O-N 3.3Å; L60-F64 VanDerWaalsContact O-CB 3.23Å; L60-F64 WeakPolarHBondContact O-CB 3.29Å; L60-F64 PolarHBondContact O-N 3.03Å; L60-S91 WeakPolarHBondContact CD2-O 3.38Å; L60-F94 HydrophobicContact CD2-CD1 3.77Å; L60-F94 HydrophobicContact CG-CD1 4.35Å; L60-L95 HydrophobicContact CD1-CD1 4.44Å; L60-L95 HydrophobicContact CD2-CB 4.04Å
61G93.9Very high94Very high11 Ų1137.6 Ų37.611%0.11322%0.224CC..Hα-helixtrans-63-38.9176.700000113.1T19 M57 A58 A59 G65T19-G61 VanDerWaalsContact CB-O 3.28Å; T19-G61 WeakPolarHBondContact CB-O 3.35Å; T19-G61 PolarHBondContact OG1-O 2.92Å; M57-G61 PolarHBondContact O-N 2.65Å; M57-G61 VanDerWaalsContact O-N 3.1Å; A58-G61 PolarHBondContact O-N 2.99Å; A59-G61 PolarHBondContact O-N 3.24Å; G61-G65 PolarHBondContact O-N 3.33Å
62A95.9Very high93.9Very high27 Ų2734.4 Ų34.422%0.22320%0.204CC..Hα-helixtrans-67.2-48.717700000112T16 T20 A58 A59 L60 F64 G65 M66T16-A62 HydrophobicContact CG2-CB 4.31Å; T20-A62 HydrophobicContact CG2-CB 4.42Å; T20-A62 VanDerWaalsContact OG1-CA 3.29Å; T20-A62 WeakPolarHBondContact OG1-CA 3.19Å; T20-A62 VanDerWaalsContact OG1-CB 3.31Å; T20-A62 WeakPolarHBondContact OG1-CB 3.49Å; T20-A62 PolarHBondContact OG1-N 3.36Å; A58-A62 PolarHBondContact O-N 2.85Å; A59-A62 PolarHBondContact O-N 2.69Å; L60-A62 VanDerWaalsContact C-N 3.35Å; L60-A62 PolarHBondContact O-N 3.49Å; A62-F64 VanDerWaalsContact C-N 3.32Å; A62-F64 PolarHBondContact O-N 3.26Å; A62-G65 PolarHBondContact O-N 2.81Å; A62-M66 WeakPolarHBondContact O-CB 3.38Å; A62-M66 WeakPolarHBondContact O-CG 3.38Å; A62-M66 PolarHBondContact O-N 2.95Å
63I96.5Very high93.8Very high46 Ų4634.3 Ų34.324%0.23620%0.201CC..Hα-helixtrans-60.9-46.4178.2-69.7167.3000109.4A59 L60 M66 T67 A90 F94A59-I63 WeakPolarHBondContact O-CB 3.28Å; A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.31Å; A59-I63 PolarHBondContact O-N 2.82Å; L60-I63 PolarHBondContact O-N 3.3Å; I63-M66 PolarHBondContact O-N 3.49Å; I63-T67 HydrophobicContact CG2-CG2 4.12Å; I63-T67 VanDerWaalsContact O-CB 3.29Å; I63-T67 WeakPolarHBondContact O-CB 3.48Å; I63-T67 VanDerWaalsContact O-CG2 3.23Å; I63-T67 WeakPolarHBondContact O-CG2 3.2Å; I63-T67 PolarHBondContact O-N 3.07Å; I63-T67 PolarHBondContact O-OG1 2.98Å; I63-A90 HydrophobicContact CG2-CB 3.89Å; I63-F94 HydrophobicContact CD1-CB 3.54Å; I63-F94 HydrophobicContact CD1-CD1 3.72Å; I63-F94 HydrophobicContact CD1-CD2 3.46Å; I63-F94 VanDerWaalsContact CD1-CD2 3.46Å; I63-F94 HydrophobicContact CD1-CE1 4.27Å; I63-F94 HydrophobicContact CD1-CE2 4.04Å; I63-F94 HydrophobicContact CD1-CG 3.26Å; I63-F94 HydrophobicContact CD1-CZ 4.41Å
64F95.8Very high93.7Very high35 Ų3537.1 Ų37.115%0.15422%0.222CC..Hα-helixtrans-53.4-56.9175176.8-96.5000111.5T19 L60 A62 M66 T67 T68 Y84 G87 A116T19-F64 HydrophobicContact CG2-CD1 4.01Å; T19-F64 HydrophobicContact CG2-CE1 4.31Å; L60-F64 VanDerWaalsContact O-CB 3.23Å; L60-F64 WeakPolarHBondContact O-CB 3.29Å; L60-F64 PolarHBondContact O-N 3.03Å; A62-F64 VanDerWaalsContact C-N 3.32Å; A62-F64 PolarHBondContact O-N 3.26Å; F64-M66 PolarHBondContact O-N 3.48Å; F64-T67 PolarHBondContact O-N 3.17Å; F64-T67 PolarHBondContact O-OG1 3.04Å; F64-T68 HydrophobicContact CD1-CG2 4.46Å; F64-T68 HydrophobicContact CD2-CG2 4.2Å; F64-T68 HydrophobicContact CE1-CG2 4.11Å; F64-T68 HydrophobicContact CE2-CG2 3.8Å; F64-T68 HydrophobicContact CG-CG2 4.5Å; F64-T68 HydrophobicContact CZ-CG2 3.75Å; F64-T68 WeakPolarHBondContact O-CG2 3.31Å; F64-T68 PolarHBondContact O-N 3.48Å; F64-T68 PolarHBondContact O-OG1 2.91Å; F64-Y84 AromaticContact CZ-CD1 3.73Å; F64-Y84 HydrophobicContact CZ-CD1 3.73Å; F64-Y84 HydrophobicContact CZ-CE1 4.09Å; F64-Y84 HydrophobicContact CZ-CG 4.36Å; F64-G87 VanDerWaalsContact CD2-C 3.45Å; F64-A116 HydrophobicContact CE2-CB 3.68Å; F64-A116 HydrophobicContact CZ-CB 4.22Å
65G93.5Very high93.5Very high0 Ų042.1 Ų42.10%024%0.238CC..Hα-helixtrans-62.4-39.4-176.500000114.1T16 G61 A62 T68 C69T16-G65 VanDerWaalsContact OG1-C 3.27Å; G61-G65 PolarHBondContact O-N 3.33Å; A62-G65 PolarHBondContact O-N 2.81Å; G65-T68 PolarHBondContact O-OG1 2.73Å; G65-T68 VanDerWaalsContact O-OG1 3.06Å; G65-C69 WeakPolarHBondContact O-CB 3.24Å; G65-C69 PolarHBondContact O-N 3.41Å
66M94.3Very high93.1Very high85 Ų8545.4 Ų45.442%0.41925%0.254SS..Hα-helixtrans-67.2-46.5177.1-75-67.8-71.600111.4T16 A62 I63 F64 C69 L70T16-M66 HydrophobicContact CG2-CG 3.66Å; T16-M66 HydrophobicContact CG2-SD 4.15Å; T16-M66 PolarHBondContact OG1-N 3.37Å; A62-M66 WeakPolarHBondContact O-CB 3.38Å; A62-M66 WeakPolarHBondContact O-CG 3.38Å; A62-M66 PolarHBondContact O-N 2.95Å; I63-M66 PolarHBondContact O-N 3.49Å; F64-M66 PolarHBondContact O-N 3.48Å; M66-C69 PolarHBondContact O-N 3.19Å; M66-L70 WeakPolarHBondContact O-CB 3.44Å; M66-L70 VanDerWaalsContact O-CG 3.26Å; M66-L70 WeakPolarHBondContact O-CG 3.5Å; M66-L70 PolarHBondContact O-N 3.29Å
67T95.1Very high92.8Very high38 Ų3845.9 Ų45.923%0.23326%0.26CS..Hα-helixtrans-70.8-37.8-175.550.20000112.1I63 F64 C69 L70 A71 G87 A90I63-T67 HydrophobicContact CG2-CG2 4.12Å; I63-T67 VanDerWaalsContact O-CB 3.29Å; I63-T67 WeakPolarHBondContact O-CB 3.48Å; I63-T67 VanDerWaalsContact O-CG2 3.23Å; I63-T67 WeakPolarHBondContact O-CG2 3.2Å; I63-T67 PolarHBondContact O-N 3.07Å; I63-T67 PolarHBondContact O-OG1 2.98Å; F64-T67 PolarHBondContact O-N 3.17Å; F64-T67 PolarHBondContact O-OG1 3.04Å; T67-C69 VanDerWaalsContact C-N 3.3Å; T67-C69 PolarHBondContact O-N 2.89Å; T67-L70 PolarHBondContact O-N 2.82Å; T67-A71 WeakPolarHBondContact O-CB 3.42Å; T67-A71 PolarHBondContact O-N 2.96Å; T67-G87 WeakPolarHBondContact OG1-CA 3.48Å; T67-A90 HydrophobicContact CG2-CB 3.71Å
68T94.1Very high92.2Very high0 Ų045.1 Ų45.10%026%0.26CS..Hα-helixtrans-61.3-41.7171.657.70000111.2F64 G65 A72 Y84F64-T68 HydrophobicContact CD1-CG2 4.46Å; F64-T68 HydrophobicContact CD2-CG2 4.2Å; F64-T68 HydrophobicContact CE1-CG2 4.11Å; F64-T68 HydrophobicContact CE2-CG2 3.8Å; F64-T68 HydrophobicContact CG-CG2 4.5Å; F64-T68 HydrophobicContact CZ-CG2 3.75Å; F64-T68 WeakPolarHBondContact O-CG2 3.31Å; F64-T68 PolarHBondContact O-N 3.48Å; F64-T68 PolarHBondContact O-OG1 2.91Å; G65-T68 PolarHBondContact O-OG1 2.73Å; G65-T68 VanDerWaalsContact O-OG1 3.06Å; T68-A72 VanDerWaalsContact O-CB 3.29Å; T68-A72 WeakPolarHBondContact O-CB 3.49Å; T68-A72 PolarHBondContact O-N 3.06Å; T68-Y84 HydrophobicContact CG2-CD2 4.27Å; T68-Y84 HydrophobicContact CG2-CG 4.32Å
69C92.3Very high91.7Very high1 Ų149.3 Ų49.31%0.00728%0.28CS..Hα-helixtrans-71-40.9-179.4-153.50000113.1G9 C12 G65 M66 T67 A72 Q73G9-C69 VanDerWaalsContact CA-SG 3.57Å; C12-C69 WeakPolarHBondContact CA-SG 3.26Å; C12-C69 HydrophobicContact CB-CB 3.65Å; C12-C69 WeakPolarHBondContact CB-SG 3.35Å; C12-C69 WeakPolarHBondContact SG-CB 3.41Å; C12-C69 CovalentContact SG-SG 2.02Å; C12-C69 PolarHBondContact SG-SG 3.37Å; G65-C69 WeakPolarHBondContact O-CB 3.24Å; G65-C69 PolarHBondContact O-N 3.41Å; M66-C69 PolarHBondContact O-N 3.19Å; T67-C69 VanDerWaalsContact C-N 3.3Å; T67-C69 PolarHBondContact O-N 2.89Å; C69-A72 PolarHBondContact O-N 3.34Å; C69-Q73 WeakPolarHBondContact O-CG 3.43Å; C69-Q73 PolarHBondContact O-N 3.12Å; C69-Q73 PolarHBondContact O-NE2 2.94Å
70L92.8Very high91.4Very high96 Ų9650.2 Ų50.250%0.50328%0.281SS..Hα-helixtrans-68.2-39.4176.6-71.5172.5000111.5M66 T67 Q73 A74M66-L70 WeakPolarHBondContact O-CB 3.44Å; M66-L70 VanDerWaalsContact O-CG 3.26Å; M66-L70 WeakPolarHBondContact O-CG 3.5Å; M66-L70 PolarHBondContact O-N 3.29Å; T67-L70 PolarHBondContact O-N 2.82Å; L70-Q73 PolarHBondContact O-N 2.72Å; L70-A74 VanDerWaalsContact O-CB 3.25Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.36Å
71A92.5Very high91.2Very high14 Ų1450.5 Ų50.512%0.11628%0.284CS..Hα-helixtrans-63.2-43.1174.600000111.5T67 Q73 A74 R75 N83 L86T67-A71 WeakPolarHBondContact O-CB 3.42Å; T67-A71 PolarHBondContact O-N 2.96Å; A71-Q73 PolarHBondContact O-N 3.21Å; A71-A74 PolarHBondContact O-N 2.82Å; A71-R75 WeakPolarHBondContact O-CB 3.21Å; A71-R75 WeakPolarHBondContact O-CG 3.03Å; A71-R75 PolarHBondContact O-N 3.27Å; A71-R75 VanDerWaalsContact O-N 3.08Å; A71-N83 HydrophobicContact CB-CB 4.15Å; A71-L86 HydrophobicContact CB-CD1 3.95Å
72A91.1Very high91.2Very high3 Ų352.1 Ų52.13%0.02529%0.292CS..Hα-helixtrans-60.3-42.9176.100000112.4T68 C69 D76 A77T68-A72 VanDerWaalsContact O-CB 3.29Å; T68-A72 WeakPolarHBondContact O-CB 3.49Å; T68-A72 PolarHBondContact O-N 3.06Å; C69-A72 PolarHBondContact O-N 3.34Å; A72-D76 PolarHBondContact O-N 2.93Å; A72-A77 PolarHBondContact O-N 3.47Å
73Q88.6Confident91Very high94 Ų9450.9 Ų50.944%0.43928%0.282SS..Hα-helixtrans-68.6-46.4175.9-76.4178.480.900112.6G9 C12 C69 L70 A71 R75 D76G9-Q73 VanDerWaalsContact O-CD 3.28Å; G9-Q73 WeakPolarHBondContact O-CG 3.47Å; C12-Q73 PolarHBondContact SG-NE2 3.06Å; C69-Q73 WeakPolarHBondContact O-CG 3.43Å; C69-Q73 PolarHBondContact O-N 3.12Å; C69-Q73 PolarHBondContact O-NE2 2.94Å; L70-Q73 PolarHBondContact O-N 2.72Å; A71-Q73 PolarHBondContact O-N 3.21Å; Q73-R75 VanDerWaalsContact C-N 3.25Å; Q73-R75 PolarHBondContact O-N 3.01Å; Q73-D76 PolarHBondContact O-N 2.95Å
74A90.8Very high90.9Very high87 Ų8749 Ų4972%0.71927%0.271SS*.Hα-helixtrans-68.8-24.1-175.500000113.4L70 A71L70-A74 VanDerWaalsContact O-CB 3.25Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.36Å; A71-A74 PolarHBondContact O-N 2.82Å
75R88Confident90.9Very high122 Ų12250.1 Ų50.146%0.4628%0.276SS..THydrogen-bonded Turntrans-100.5-3.6-179.5-66.817162.6111.1-6.7113.5A71 Q73 A77 D80A71-R75 WeakPolarHBondContact O-CB 3.21Å; A71-R75 WeakPolarHBondContact O-CG 3.03Å; A71-R75 PolarHBondContact O-N 3.27Å; A71-R75 VanDerWaalsContact O-N 3.08Å; Q73-R75 VanDerWaalsContact C-N 3.25Å; Q73-R75 PolarHBondContact O-N 3.01Å; R75-A77 HydrophobicContact CB-CB 4.11Å; R75-A77 WeakPolarHBondContact O-CB 3.38Å; R75-A77 PolarHBondContact O-N 3.14Å; R75-D80 IonicContact CZ-OD2 3.67Å; R75-D80 IonicContact NE-OD2 3.78Å; R75-D80 IonicContact NH2-OD2 2.8Å; R75-D80 PolarHBondContact NH2-OD2 2.99Å
76D86.5Confident91Very high149 Ų14953.6 Ų53.680%0.79730%0.295SS*.THydrogen-bonded Turntrans47.228.9-170.5-71-56.2000113.4A72 Q73 P78A72-D76 PolarHBondContact O-N 2.93Å; Q73-D76 PolarHBondContact O-N 2.95Å; D76-P78 WeakPolarHBondContact O-CD 3.47Å
77A87.2Confident91Very high30 Ų3049.6 Ų49.625%0.24828%0.275CS..  trans-13072.1-171.500000109.8A72 R75 D79 D80 N83A72-A77 PolarHBondContact O-N 3.47Å; R75-A77 HydrophobicContact CB-CB 4.11Å; R75-A77 WeakPolarHBondContact O-CB 3.38Å; R75-A77 PolarHBondContact O-N 3.14Å; A77-D79 VanDerWaalsContact C-N 3.31Å; A77-D79 PolarHBondContact O-N 3.23Å; A77-D80 HydrophobicContact CB-CB 4.05Å; A77-D80 WeakPolarHBondContact O-CB 3.49Å; A77-D80 PolarHBondContact O-N 3.49Å; A77-N83 PolarHBondContact O-ND2 3.06Å
78P81.6Confident91Very high54 Ų5447.8 Ų47.835%0.35126%0.264SS..THydrogen-bonded Turntrans-65.9-29.1-168.823.9-33.8000114.3E8 D76E8-P78 HydrophobicContact CB-CB 3.91Å; E8-P78 WeakPolarHBondContact CB-O 3.34Å; D76-P78 WeakPolarHBondContact O-CD 3.47Å
79D84.1Confident91Very high103 Ų10349.1 Ų49.155%0.55127%0.273SS*.THydrogen-bonded Turntrans-92.6-2.1-178.2-71.7-51.7000114.6A77 P81 K120 M124A77-D79 VanDerWaalsContact C-N 3.31Å; A77-D79 PolarHBondContact O-N 3.23Å; D79-P81 VanDerWaalsContact O-CD 3.31Å; D79-P81 WeakPolarHBondContact O-CD 3.44Å; D79-K120 WeakPolarHBondContact O-CE 3.4Å; D79-K120 IonicContact OD1-NZ 3.66Å; D79-K120 PolarHBondContact OD1-NZ 3.25Å; D79-K120 VanDerWaalsContact OD1-NZ 3.15Å; D79-M124 VanDerWaalsContact O-SD 3.41Å
80D89.6Confident91.2Very high43 Ų4350.5 Ų50.523%0.2329%0.285CS..  trans-66.8118.6-179.9-172.1-9.1000110.9R75 A77 V82 N83R75-D80 IonicContact CZ-OD2 3.67Å; R75-D80 IonicContact NE-OD2 3.78Å; R75-D80 IonicContact NH2-OD2 2.8Å; R75-D80 PolarHBondContact NH2-OD2 2.99Å; A77-D80 HydrophobicContact CB-CB 4.05Å; A77-D80 WeakPolarHBondContact O-CB 3.49Å; A77-D80 PolarHBondContact O-N 3.49Å; D80-V82 PolarHBondContact O-N 3.11Å; D80-V82 VanDerWaalsContact O-N 3.14Å; D80-V82 WeakPolarHBondContact OD1-CB 3.29Å; D80-V82 VanDerWaalsContact OD1-CG2 3.29Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.11Å; D80-V82 PolarHBondContact OD1-N 2.75Å; D80-N83 WeakPolarHBondContact O-CB 3.29Å; D80-N83 PolarHBondContact O-N 3.46Å; D80-N83 PolarHBondContact O-ND2 3.07Å
81P91.4Very high91.3Very high22 Ų2246.3 Ų46.314%0.14326%0.263CS..THydrogen-bonded Turntrans-64.6-14.9178.524.5-31.6000113.4D79 N83 Y84 F85 M117 K120 V121 M124D79-P81 VanDerWaalsContact O-CD 3.31Å; D79-P81 WeakPolarHBondContact O-CD 3.44Å; P81-N83 PolarHBondContact O-N 3.28Å; P81-Y84 PolarHBondContact O-N 2.8Å; P81-Y84 VanDerWaalsContact O-N 3.14Å; P81-F85 PolarHBondContact O-N 2.65Å; P81-M117 HydrophobicContact CB-CG 3.96Å; P81-M117 HydrophobicContact CG-CE 4.39Å; P81-K120 HydrophobicContact CB-CB 4.15Å; P81-K120 HydrophobicContact CB-CG 3.96Å; P81-V121 HydrophobicContact CB-CG2 3.81Å; P81-V121 HydrophobicContact CG-CG2 3.93Å; P81-M124 HydrophobicContact CB-CE 4.09Å; P81-M124 HydrophobicContact CG-CE 3.79Å
82V92.9Very high91.4Very high46 Ų4645.6 Ų45.628%0.27926%0.258SS..Hα-helixtrans-61.2-28.7171176.80000111.8D80 Y84 F85 L86D80-V82 PolarHBondContact O-N 3.11Å; D80-V82 VanDerWaalsContact O-N 3.14Å; D80-V82 WeakPolarHBondContact OD1-CB 3.29Å; D80-V82 VanDerWaalsContact OD1-CG2 3.29Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.11Å; D80-V82 PolarHBondContact OD1-N 2.75Å; V82-Y84 VanDerWaalsContact C-N 3.28Å; V82-Y84 PolarHBondContact O-N 3.47Å; V82-F85 WeakPolarHBondContact O-CB 3.42Å; V82-F85 PolarHBondContact O-N 3.08Å; V82-L86 HydrophobicContact CG1-CD1 4.41Å; V82-L86 HydrophobicContact CG1-CG 4.41Å; V82-L86 WeakPolarHBondContact O-CG 3.23Å; V82-L86 PolarHBondContact O-N 2.9Å
83N93.6Very high91.6Very high1 Ų149.5 Ų49.51%0.00528%0.281CS..Hα-helixtrans-61.8-39.6175.4-62.1-30.6000111.5A71 A77 D80 P81 L86 G87A71-N83 HydrophobicContact CB-CB 4.15Å; A77-N83 PolarHBondContact O-ND2 3.06Å; D80-N83 WeakPolarHBondContact O-CB 3.29Å; D80-N83 PolarHBondContact O-N 3.46Å; D80-N83 PolarHBondContact O-ND2 3.07Å; P81-N83 PolarHBondContact O-N 3.28Å; N83-L86 PolarHBondContact O-N 3.29Å; N83-G87 PolarHBondContact O-N 3.46Å
84Y93.8Very high91.9Very high5 Ų547.8 Ų47.82%0.0227%0.272CS..Hα-helixtrans-70.8-35.6176.8-83.7-121.9000111.5Y3 W4 E8 F64 T68 P81 V82 G87 G88 A116 K120Y3-Y84 HydrophobicContact CE1-CE1 4.26Å; Y3-Y84 VanDerWaalsContact CE1-OH 3.26Å; Y3-Y84 WeakPolarHBondContact CE1-OH 3.47Å; Y3-Y84 PolarHBondContact OH-OH 3.38Å; Y3-Y84 VanDerWaalsContact OH-OH 3.11Å; W4-Y84 HydrophobicContact CH2-CE1 4Å; W4-Y84 HydrophobicContact CZ3-CE1 4.27Å; W4-Y84 WeakPolarHBondContact CZ3-OH 3.3Å; E8-Y84 PolarHBondContact OE1-OH 3.47Å; F64-Y84 AromaticContact CZ-CD1 3.73Å; F64-Y84 HydrophobicContact CZ-CD1 3.73Å; F64-Y84 HydrophobicContact CZ-CE1 4.09Å; F64-Y84 HydrophobicContact CZ-CG 4.36Å; T68-Y84 HydrophobicContact CG2-CD2 4.27Å; T68-Y84 HydrophobicContact CG2-CG 4.32Å; P81-Y84 PolarHBondContact O-N 2.8Å; P81-Y84 VanDerWaalsContact O-N 3.14Å; V82-Y84 VanDerWaalsContact C-N 3.28Å; V82-Y84 PolarHBondContact O-N 3.47Å; Y84-G87 PolarHBondContact O-N 2.94Å; Y84-G88 PolarHBondContact O-N 3.21Å; Y84-A116 WeakPolarHBondContact CB-O 3.05Å; Y84-A116 VanDerWaalsContact O-CB 3.31Å; Y84-A116 WeakPolarHBondContact O-CB 3.39Å; Y84-K120 HydrophobicContact CD1-CB 3.87Å; Y84-K120 HydrophobicContact CD2-CB 4.11Å; Y84-K120 HydrophobicContact CD2-CD 4.27Å; Y84-K120 HydrophobicContact CD2-CG 4.11Å; Y84-K120 HydrophobicContact CE1-CB 4.25Å; Y84-K120 HydrophobicContact CE2-CB 4.48Å; Y84-K120 HydrophobicContact CE2-CD 3.92Å; Y84-K120 HydrophobicContact CE2-CG 4.29Å; Y84-K120 HydrophobicContact CG-CB 3.81Å; Y84-K120 HydrophobicContact CG-CG 4.32Å
85F95.1Very high92Very high59 Ų5945.8 Ų45.826%0.25925%0.249SC..Hα-helixtrans-59.8-47.6171.5-178.7-91.3000111.7P81 V82 G87 G88 C89 G113 T114 M117P81-F85 PolarHBondContact O-N 2.65Å; V82-F85 WeakPolarHBondContact O-CB 3.42Å; V82-F85 PolarHBondContact O-N 3.08Å; F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.49Å; F85-G88 PolarHBondContact O-N 3.21Å; F85-C89 WeakPolarHBondContact O-CB 3.03Å; F85-C89 PolarHBondContact O-N 3.5Å; F85-G113 WeakPolarHBondContact CA-O 3.37Å; F85-G113 WeakPolarHBondContact CD2-O 3.37Å; F85-G113 WeakPolarHBondContact O-CA 3.48Å; F85-T114 HydrophobicContact CE2-CG2 4.04Å; F85-M117 HydrophobicContact CB-CB 4.2Å
86L95.1Very high92.2Very high74 Ų7440.3 Ų40.339%0.38723%0.23SC..Hα-helixtrans-61-41.3178.1-70.1173.1000111.4A71 V82 N83 C89 A90A71-L86 HydrophobicContact CB-CD1 3.95Å; V82-L86 HydrophobicContact CG1-CD1 4.41Å; V82-L86 HydrophobicContact CG1-CG 4.41Å; V82-L86 WeakPolarHBondContact O-CG 3.23Å; V82-L86 PolarHBondContact O-N 2.9Å; N83-L86 PolarHBondContact O-N 3.29Å; L86-C89 PolarHBondContact O-N 3.07Å; L86-A90 WeakPolarHBondContact O-CB 3.1Å; L86-A90 PolarHBondContact O-N 3.06Å
87G94.7Very high92.6Very high0 Ų036.2 Ų36.20%022%0.217CC..Hα-helixtrans-68.6-40177.500000113.9F64 T67 N83 Y84 F85 C89 A90 S91F64-G87 VanDerWaalsContact CD2-C 3.45Å; T67-G87 WeakPolarHBondContact OG1-CA 3.48Å; N83-G87 PolarHBondContact O-N 3.46Å; Y84-G87 PolarHBondContact O-N 2.94Å; F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.49Å; G87-C89 VanDerWaalsContact C-N 3.34Å; G87-A90 PolarHBondContact O-N 3.45Å; G87-S91 PolarHBondContact O-N 2.89Å
88G94.6Very high92.9Very high1 Ų140 Ų401%0.0123%0.225CC..Hα-helixtrans-61.8-43.9172.100000111.4Y84 F85 S91 G92Y84-G88 PolarHBondContact O-N 3.21Å; F85-G88 PolarHBondContact O-N 3.21Å; G88-S91 PolarHBondContact O-N 3.32Å; G88-S91 PolarHBondContact O-OG 2.97Å; G88-G92 PolarHBondContact O-N 2.9Å
89C95.7Very high93.3Very high27 Ų2740.6 Ų40.618%0.18223%0.228CC..Hα-helixtrans-62.6-46.4177.3-177.40000112.7F85 L86 G87 S91 G92 V93 C109F85-C89 WeakPolarHBondContact O-CB 3.03Å; F85-C89 PolarHBondContact O-N 3.5Å; L86-C89 PolarHBondContact O-N 3.07Å; G87-C89 VanDerWaalsContact C-N 3.34Å; C89-S91 VanDerWaalsContact C-N 3.3Å; C89-S91 PolarHBondContact O-N 3.26Å; C89-G92 WeakPolarHBondContact O-CA 3.4Å; C89-G92 PolarHBondContact O-N 3.33Å; C89-V93 WeakPolarHBondContact O-CG2 3.39Å; C89-V93 PolarHBondContact O-N 3.3Å; C89-C109 HydrophobicContact CB-CB 3.97Å; C89-C109 WeakPolarHBondContact CB-SG 3.28Å; C89-C109 WeakPolarHBondContact SG-CB 3.38Å; C89-C109 CovalentContact SG-SG 2.04Å; C89-C109 PolarHBondContact SG-SG 3.31Å
90A96.1Very high93.8Very high31 Ų3144.2 Ų44.226%0.25624%0.241SC..Hα-helixtrans-60.4-41178.400000112I63 T67 L86 G87 V93 F94I63-A90 HydrophobicContact CG2-CB 3.89Å; T67-A90 HydrophobicContact CG2-CB 3.71Å; L86-A90 WeakPolarHBondContact O-CB 3.1Å; L86-A90 PolarHBondContact O-N 3.06Å; G87-A90 PolarHBondContact O-N 3.45Å; A90-V93 PolarHBondContact O-N 3.18Å; A90-F94 PolarHBondContact O-N 3.37Å; A90-F94 VanDerWaalsContact O-N 3.08Å
91S95.2Very high93.9Very high7 Ų744 Ų445%0.04924%0.242CC..Hα-helixtrans-63.5-42172.976.80000111.7L60 G87 G88 C89 V93 F94 L95L60-S91 WeakPolarHBondContact CD2-O 3.38Å; G87-S91 PolarHBondContact O-N 2.89Å; G88-S91 PolarHBondContact O-N 3.32Å; G88-S91 PolarHBondContact O-OG 2.97Å; C89-S91 VanDerWaalsContact C-N 3.3Å; C89-S91 PolarHBondContact O-N 3.26Å; S91-V93 PolarHBondContact O-N 3.46Å; S91-F94 WeakPolarHBondContact O-CB 3.12Å; S91-F94 PolarHBondContact O-N 2.99Å; S91-L95 PolarHBondContact O-N 3.23Å
92G93.8Very high94Very high0 Ų047.1 Ų47.10%027%0.27CS..Hα-helixtrans-62.7-40.9176.500000113.6G88 C89 F94 L95 G96G88-G92 PolarHBondContact O-N 2.9Å; C89-G92 WeakPolarHBondContact O-CA 3.4Å; C89-G92 PolarHBondContact O-N 3.33Å; G92-F94 VanDerWaalsContact C-N 3.35Å; G92-F94 PolarHBondContact O-N 2.94Å; G92-L95 WeakPolarHBondContact O-CB 3.44Å; G92-L95 PolarHBondContact O-N 2.99Å; G92-G96 PolarHBondContact O-N 2.02Å
93V95.3Very high94Very high84 Ų8451.8 Ų51.851%0.50929%0.291SS..Hα-helixtrans-62.8-42.4173.9173.80000110.9C89 A90 S91 L95 G96 A97 C109C89-V93 WeakPolarHBondContact O-CG2 3.39Å; C89-V93 PolarHBondContact O-N 3.3Å; A90-V93 PolarHBondContact O-N 3.18Å; S91-V93 PolarHBondContact O-N 3.46Å; V93-L95 VanDerWaalsContact C-N 3.33Å; V93-L95 PolarHBondContact O-N 3.46Å; V93-G96 WeakPolarHBondContact O-CA 3.27Å; V93-G96 PolarHBondContact O-N 3.06Å; V93-G96 VanDerWaalsContact O-N 3.14Å; V93-A97 PolarHBondContact O-N 2.73Å; V93-C109 HydrophobicContact CG2-CB 4.3Å
94F95.6Very high93.9Very high59 Ų5954.2 Ų54.226%0.25931%0.306SS..Hα-helixtrans-62-39.6174.7174.9-97.9000112.3T56 A59 L60 I63 A90 S91 G92 G96 A97 R98T56-F94 HydrophobicContact CG2-CE1 4.47Å; A59-F94 HydrophobicContact CB-CD1 4.4Å; A59-F94 HydrophobicContact CB-CE1 3.47Å; A59-F94 VanDerWaalsContact CB-CE1 3.47Å; A59-F94 HydrophobicContact CB-CZ 3.6Å; L60-F94 HydrophobicContact CD2-CD1 3.77Å; L60-F94 HydrophobicContact CG-CD1 4.35Å; I63-F94 HydrophobicContact CD1-CB 3.54Å; I63-F94 HydrophobicContact CD1-CD1 3.72Å; I63-F94 HydrophobicContact CD1-CD2 3.46Å; I63-F94 VanDerWaalsContact CD1-CD2 3.46Å; I63-F94 HydrophobicContact CD1-CE1 4.27Å; I63-F94 HydrophobicContact CD1-CE2 4.04Å; I63-F94 HydrophobicContact CD1-CG 3.26Å; I63-F94 HydrophobicContact CD1-CZ 4.41Å; A90-F94 PolarHBondContact O-N 3.37Å; A90-F94 VanDerWaalsContact O-N 3.08Å; S91-F94 WeakPolarHBondContact O-CB 3.12Å; S91-F94 PolarHBondContact O-N 2.99Å; G92-F94 VanDerWaalsContact C-N 3.35Å; G92-F94 PolarHBondContact O-N 2.94Å; F94-G96 VanDerWaalsContact C-N 3.31Å; F94-G96 PolarHBondContact O-N 3.08Å; F94-A97 WeakPolarHBondContact O-CB 3.36Å; F94-A97 PolarHBondContact O-N 2.85Å; F94-R98 HydrophobicContact CD1-CG 4.12Å; F94-R98 HydrophobicContact CE1-CG 3.61Å; F94-R98 HydrophobicContact CE2-CG 4.06Å; F94-R98 HydrophobicContact CZ-CG 3.58Å; F94-R98 WeakPolarHBondContact O-CG 3.43Å; F94-R98 PolarHBondContact O-N 2.93Å
95L93.1Very high93.8Very high45 Ų4554.2 Ų54.224%0.23631%0.308CS..Hα-helixtrans-61.3-41.4172.9-174.960.3000111.6T56 L60 S91 G92 V93 A97 R98 T99 A108T56-L95 HydrophobicContact CG2-CD1 4.21Å; L60-L95 HydrophobicContact CD1-CD1 4.44Å; L60-L95 HydrophobicContact CD2-CB 4.04Å; S91-L95 PolarHBondContact O-N 3.23Å; G92-L95 WeakPolarHBondContact O-CB 3.44Å; G92-L95 PolarHBondContact O-N 2.99Å; V93-L95 VanDerWaalsContact C-N 3.33Å; V93-L95 PolarHBondContact O-N 3.46Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 3.06Å; L95-R98 PolarHBondContact O-N 2.58Å; L95-T99 HydrophobicContact CD1-CG2 4.21Å; L95-T99 WeakPolarHBondContact O-CB 3.36Å; L95-T99 WeakPolarHBondContact O-CG2 3.46Å; L95-T99 PolarHBondContact O-N 2.93Å; L95-T99 PolarHBondContact O-OG1 3.4Å; L95-A108 HydrophobicContact CD2-CB 4.18Å
96G92.4Very high93.7Very high6 Ų655.6 Ų55.66%0.06232%0.321CS..Hα-helixtrans-58.6-43.6172.300000112.8G92 V93 F94 T99 H100 S101G92-G96 PolarHBondContact O-N 2.02Å; V93-G96 WeakPolarHBondContact O-CA 3.27Å; V93-G96 PolarHBondContact O-N 3.06Å; V93-G96 VanDerWaalsContact O-N 3.14Å; F94-G96 VanDerWaalsContact C-N 3.31Å; F94-G96 PolarHBondContact O-N 3.08Å; G96-T99 CarbonylContact O-C 3.59Å; G96-T99 PolarHBondContact O-N 2.93Å; G96-T99 PolarHBondContact O-OG1 2.7Å; G96-H100 PolarHBondContact O-N 2.91Å; G96-S101 WeakPolarHBondContact CA-O 3.33Å; G96-S101 PolarHBondContact O-N 3.47Å
97A94.3Very high93.7Very high63 Ų6356.3 Ų56.352%0.52133%0.328SS..Hα-helixtrans-64-41.9175.800000112.1V93 F94 L95 T99 H100V93-A97 PolarHBondContact O-N 2.73Å; F94-A97 WeakPolarHBondContact O-CB 3.36Å; F94-A97 PolarHBondContact O-N 2.85Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 3.06Å; A97-T99 VanDerWaalsContact C-N 3.33Å; A97-T99 PolarHBondContact O-N 3.23Å; A97-H100 PolarHBondContact O-N 2.87Å
98R92.4Very high93.7Very high109 Ų10956.9 Ų56.941%0.41133%0.333SS..Hα-helixtrans-68.3-31.1177.5-73-73.8-82.7165.9-8.9113.4T56 F94 L95T56-R98 HydrophobicContact CG2-CB 4.39Å; T56-R98 HydrophobicContact CG2-CG 4.29Å; T56-R98 PolarHBondContact OG1-NE 2.97Å; T56-R98 PolarHBondContact OG1-NH2 3.21Å; F94-R98 HydrophobicContact CD1-CG 4.12Å; F94-R98 HydrophobicContact CE1-CG 3.61Å; F94-R98 HydrophobicContact CE2-CG 4.06Å; F94-R98 HydrophobicContact CZ-CG 3.58Å; F94-R98 WeakPolarHBondContact O-CG 3.43Å; F94-R98 PolarHBondContact O-N 2.93Å; L95-R98 PolarHBondContact O-N 2.58Å
99T91.6Very high93.7Very high67 Ų6757.7 Ų57.741%0.41134%0.339SS..THydrogen-bonded Turntrans-92.40.817856.10000113L95 G96 A97 S101L95-T99 HydrophobicContact CD1-CG2 4.21Å; L95-T99 WeakPolarHBondContact O-CB 3.36Å; L95-T99 WeakPolarHBondContact O-CG2 3.46Å; L95-T99 PolarHBondContact O-N 2.93Å; L95-T99 PolarHBondContact O-OG1 3.4Å; G96-T99 CarbonylContact O-C 3.59Å; G96-T99 PolarHBondContact O-N 2.93Å; G96-T99 PolarHBondContact O-OG1 2.7Å; A97-T99 VanDerWaalsContact C-N 3.33Å; A97-T99 PolarHBondContact O-N 3.23Å; T99-S101 PolarHBondContact O-N 3.21Å
100H93.4Very high93.7Very high180 Ų18061.3 Ų61.383%0.83336%0.355SS*.THydrogen-bonded Turntrans52.834.8-176.1-61.5-84.5000113.8G96 A97G96-H100 PolarHBondContact O-N 2.91Å; A97-H100 PolarHBondContact O-N 2.87Å
101S92.8Very high93.7Very high37 Ų3761.2 Ų61.226%0.25936%0.357SS..  trans-133.8115.9-176173.30000111.6G96 T99 M103 T104 G105G96-S101 WeakPolarHBondContact CA-O 3.33Å; G96-S101 PolarHBondContact O-N 3.47Å; T99-S101 PolarHBondContact O-N 3.21Å; S101-M103 VanDerWaalsContact C-N 3.3Å; S101-M103 PolarHBondContact O-N 3.15Å; S101-T104 VanDerWaalsContact CB-OG1 3.24Å; S101-T104 WeakPolarHBondContact CB-OG1 3.42Å; S101-T104 PolarHBondContact O-N 3.06Å; S101-T104 PolarHBondContact OG-N 3.14Å; S101-T104 VanDerWaalsContact OG-N 3.12Å; S101-T104 PolarHBondContact OG-OG1 3.2Å; S101-G105 PolarHBondContact O-N 3.48Å
102A92Very high93.7Very high88 Ų8863.9 Ų63.973%0.72737%0.371SS*.Hα-helixtrans-64-36.9175.300000111.8G105 T106A102-G105 PolarHBondContact O-N 3.3Å; A102-T106 WeakPolarHBondContact O-CG2 3.45Å; A102-T106 PolarHBondContact O-N 3.14Å; A102-T106 PolarHBondContact O-OG1 2.92Å
103M93.3Very high93.8Very high145 Ų14563.9 Ų63.971%0.71437%0.371SS*.Hα-helixtrans-66.4-41.6177.9-174.4179.4-68.600111.6S101 G105 T106 T107S101-M103 VanDerWaalsContact C-N 3.3Å; S101-M103 PolarHBondContact O-N 3.15Å; M103-G105 VanDerWaalsContact C-N 3.29Å; M103-G105 PolarHBondContact O-N 3.32Å; M103-T106 PolarHBondContact O-OG1 3.18Å; M103-T106 VanDerWaalsContact O-OG1 3.14Å; M103-T107 WeakPolarHBondContact O-CB 3.39Å; M103-T107 WeakPolarHBondContact O-CG2 3.29Å; M103-T107 PolarHBondContact O-N 2.9Å; M103-T107 PolarHBondContact O-OG1 3.35Å
104T92.1Very high93.7Very high51 Ų5162.2 Ų62.231%0.31336%0.361SS..Hα-helixtrans-64.9-38.9175.2-51.30000110.2S101 T107 A108S101-T104 VanDerWaalsContact CB-OG1 3.24Å; S101-T104 WeakPolarHBondContact CB-OG1 3.42Å; S101-T104 PolarHBondContact O-N 3.06Å; S101-T104 PolarHBondContact OG-N 3.14Å; S101-T104 VanDerWaalsContact OG-N 3.12Å; S101-T104 PolarHBondContact OG-OG1 3.2Å; T104-T107 PolarHBondContact O-OG1 2.87Å; T104-A108 WeakPolarHBondContact O-CB 3.49Å; T104-A108 PolarHBondContact O-N 2.83Å
105G91.7Very high93.7Very high6 Ų664.7 Ų64.76%0.06238%0.376CS..Hα-helixtrans-63.4-4717700000113.7S101 A102 M103 C109S101-G105 PolarHBondContact O-N 3.48Å; A102-G105 PolarHBondContact O-N 3.3Å; M103-G105 VanDerWaalsContact C-N 3.29Å; M103-G105 PolarHBondContact O-N 3.32Å; G105-C109 VanDerWaalsContact O-CB 3.3Å; G105-C109 WeakPolarHBondContact O-CB 3.08Å; G105-C109 PolarHBondContact O-N 3.37Å
106T93.4Very high93.8Very high88 Ų8863.1 Ų63.154%0.5437%0.369SS..Hα-helixtrans-69.3-44.3-179.252.30000112.1A102 M103 C109 I110A102-T106 WeakPolarHBondContact O-CG2 3.45Å; A102-T106 PolarHBondContact O-N 3.14Å; A102-T106 PolarHBondContact O-OG1 2.92Å; M103-T106 PolarHBondContact O-OG1 3.18Å; M103-T106 VanDerWaalsContact O-OG1 3.14Å; T106-C109 PolarHBondContact O-N 3.19Å; T106-I110 PolarHBondContact O-N 3.42Å; T106-I110 VanDerWaalsContact O-N 3.15Å
107T94.9Very high93.8Very high88 Ų8865.9 Ų65.954%0.5438%0.382SS..Hα-helixtrans-65-42.5176.653.50000111.8M103 T104 I110 G111M103-T107 WeakPolarHBondContact O-CB 3.39Å; M103-T107 WeakPolarHBondContact O-CG2 3.29Å; M103-T107 PolarHBondContact O-N 2.9Å; M103-T107 PolarHBondContact O-OG1 3.35Å; T104-T107 PolarHBondContact O-OG1 2.87Å; T107-I110 PolarHBondContact O-N 2.04Å; T107-G111 PolarHBondContact O-N 2.87Å
108A94Very high93.8Very high13 Ų1368.6 Ų68.611%0.10738%0.382CS..Hα-helixtrans-66-36.9175.400000112.1L95 T104 L112L95-A108 HydrophobicContact CD2-CB 4.18Å; T104-A108 WeakPolarHBondContact O-CB 3.49Å; T104-A108 PolarHBondContact O-N 2.83Å; A108-L112 HydrophobicContact CB-CD1 4.41Å; A108-L112 WeakPolarHBondContact O-CB 3.17Å; A108-L112 WeakPolarHBondContact O-CG 3.3Å; A108-L112 PolarHBondContact O-N 3.15Å
109C95.1Very high93.8Very high18 Ų1866.9 Ų66.912%0.12238%0.384CS..Hα-helixtrans-61-49.5177154.60000111.3C89 V93 G105 T106 G113C89-C109 HydrophobicContact CB-CB 3.97Å; C89-C109 WeakPolarHBondContact CB-SG 3.28Å; C89-C109 WeakPolarHBondContact SG-CB 3.38Å; C89-C109 CovalentContact SG-SG 2.04Å; C89-C109 PolarHBondContact SG-SG 3.31Å; V93-C109 HydrophobicContact CG2-CB 4.3Å; G105-C109 VanDerWaalsContact O-CB 3.3Å; G105-C109 WeakPolarHBondContact O-CB 3.08Å; G105-C109 PolarHBondContact O-N 3.37Å; T106-C109 PolarHBondContact O-N 3.19Å; C109-G113 VanDerWaalsContact O-CA 3.29Å; C109-G113 WeakPolarHBondContact O-CA 3.5Å; C109-G113 PolarHBondContact O-N 3.42Å
110I96Very high93.8Very high102 Ų10264.3 Ų64.352%0.52337%0.367SS..Hα-helixtrans-67.7-45.4179.5-62.5171.7000110.1T106 T107 T114T106-I110 PolarHBondContact O-N 3.42Å; T106-I110 VanDerWaalsContact O-N 3.15Å; T107-I110 PolarHBondContact O-N 2.04Å; I110-T114 HydrophobicContact CG2-CG2 4.32Å; I110-T114 WeakPolarHBondContact O-CB 3.39Å; I110-T114 VanDerWaalsContact O-CG2 3.27Å; I110-T114 WeakPolarHBondContact O-CG2 3.44Å; I110-T114 PolarHBondContact O-N 2.94Å; I110-T114 PolarHBondContact O-OG1 2.89Å
111G95.9Very high93.8Very high30 Ų3056.9 Ų56.931%0.30933%0.334SS..Hα-helixtrans-62.3-56.5-179.300000112.9T107 T114 L115T107-G111 PolarHBondContact O-N 2.87Å; G111-T114 PolarHBondContact O-OG1 2.95Å; G111-T114 VanDerWaalsContact O-OG1 3.06Å; G111-L115 WeakPolarHBondContact O-CB 3.29Å; G111-L115 WeakPolarHBondContact O-CD1 3.26Å; G111-L115 WeakPolarHBondContact O-CG 3.16Å; G111-L115 PolarHBondContact O-N 2.87Å
112L94.8Very high93.7Very high62 Ų6255.6 Ų55.633%0.32533%0.326SS..Hα-helixtrans-69.3-36.1-180-62175.6000111.9A108 A116A108-L112 HydrophobicContact CB-CD1 4.41Å; A108-L112 WeakPolarHBondContact O-CB 3.17Å; A108-L112 WeakPolarHBondContact O-CG 3.3Å; A108-L112 PolarHBondContact O-N 3.15Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.45Å
113G94.8Very high93.6Very high0 Ų057 Ų570%032%0.316CS..Hα-helixtrans-61.8-51.517600000112.3F85 C109 A116 M117F85-G113 WeakPolarHBondContact CA-O 3.37Å; F85-G113 WeakPolarHBondContact CD2-O 3.37Å; F85-G113 WeakPolarHBondContact O-CA 3.48Å; C109-G113 VanDerWaalsContact O-CA 3.29Å; C109-G113 WeakPolarHBondContact O-CA 3.5Å; C109-G113 PolarHBondContact O-N 3.42Å; G113-A116 PolarHBondContact O-N 3.27Å; G113-M117 WeakPolarHBondContact O-CB 3.31Å; G113-M117 PolarHBondContact O-N 3Å
114T95.1Very high93.4Very high50 Ų5054.4 Ų54.431%0.30730%0.303SS..Hα-helixtrans-63.4-44.5177.951.40000111.6F85 I110 G111 A116 M117 F118F85-T114 HydrophobicContact CE2-CG2 4.04Å; I110-T114 HydrophobicContact CG2-CG2 4.32Å; I110-T114 WeakPolarHBondContact O-CB 3.39Å; I110-T114 VanDerWaalsContact O-CG2 3.27Å; I110-T114 WeakPolarHBondContact O-CG2 3.44Å; I110-T114 PolarHBondContact O-N 2.94Å; I110-T114 PolarHBondContact O-OG1 2.89Å; G111-T114 PolarHBondContact O-OG1 2.95Å; G111-T114 VanDerWaalsContact O-OG1 3.06Å; T114-A116 VanDerWaalsContact C-N 3.34Å; T114-A116 PolarHBondContact O-N 3.38Å; T114-M117 WeakPolarHBondContact O-CB 3.05Å; T114-M117 PolarHBondContact O-N 3.05Å; T114-F118 WeakPolarHBondContact O-CD2 3.29Å; T114-F118 PolarHBondContact O-N 2.86Å
115L94.8Very high93.3Very high111 Ų11158.1 Ų58.158%0.58132%0.317SS*.Hα-helixtrans-56.9-47.3175.7-74.1170.7000111.6G111 M117 F118 T119G111-L115 WeakPolarHBondContact O-CB 3.29Å; G111-L115 WeakPolarHBondContact O-CD1 3.26Å; G111-L115 WeakPolarHBondContact O-CG 3.16Å; G111-L115 PolarHBondContact O-N 2.87Å; L115-M117 PolarHBondContact O-N 3.46Å; L115-F118 PolarHBondContact O-N 2.87Å; L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 3.04Å
116A94.1Very high93.2Very high11 Ų1160.2 Ų60.29%0.09134%0.339CS..Hα-helixtrans-65.4-37.1178.300000113F64 Y84 L112 G113 T114 T119 K120F64-A116 HydrophobicContact CE2-CB 3.68Å; F64-A116 HydrophobicContact CZ-CB 4.22Å; Y84-A116 WeakPolarHBondContact CB-O 3.05Å; Y84-A116 VanDerWaalsContact O-CB 3.31Å; Y84-A116 WeakPolarHBondContact O-CB 3.39Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.45Å; G113-A116 PolarHBondContact O-N 3.27Å; T114-A116 VanDerWaalsContact C-N 3.34Å; T114-A116 PolarHBondContact O-N 3.38Å; A116-T119 WeakPolarHBondContact CA-OG1 3.49Å; A116-T119 PolarHBondContact O-N 2.98Å; A116-T119 PolarHBondContact O-OG1 3.3Å; A116-K120 PolarHBondContact O-N 3.3Å
117M94.1Very high93Very high65 Ų6563 Ų6332%0.3234%0.34SS..Hα-helixtrans-60.8-48.2173.4-170.4-175.4-179.600110.8P81 F85 G113 T114 L115 T119 K120 V121P81-M117 HydrophobicContact CB-CG 3.96Å; P81-M117 HydrophobicContact CG-CE 4.39Å; F85-M117 HydrophobicContact CB-CB 4.2Å; G113-M117 WeakPolarHBondContact O-CB 3.31Å; G113-M117 PolarHBondContact O-N 3Å; T114-M117 WeakPolarHBondContact O-CB 3.05Å; T114-M117 PolarHBondContact O-N 3.05Å; L115-M117 PolarHBondContact O-N 3.46Å; M117-T119 VanDerWaalsContact C-N 3.32Å; M117-T119 PolarHBondContact O-N 3.14Å; M117-K120 PolarHBondContact O-N 3.5Å; M117-V121 WeakPolarHBondContact O-CG2 3.48Å; M117-V121 PolarHBondContact O-N 2.73Å
118F94.3Very high92.4Very high119 Ų11967 Ų6752%0.52235%0.345SS..Hα-helixtrans-64.9-32.4178.2-78.1-63.5000112.9T114 L115 V121 G122T114-F118 WeakPolarHBondContact O-CD2 3.29Å; T114-F118 PolarHBondContact O-N 2.86Å; L115-F118 PolarHBondContact O-N 2.87Å; F118-V121 PolarHBondContact O-N 3.43Å; F118-G122 PolarHBondContact O-N 3.05Å
119T91.7Very high91.7Very high74 Ų7475.3 Ų75.345%0.45439%0.387SS..Hα-helixtrans-66.6-39.1174.559.60000112L115 A116 M117 K123L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 3.04Å; A116-T119 WeakPolarHBondContact CA-OG1 3.49Å; A116-T119 PolarHBondContact O-N 2.98Å; A116-T119 PolarHBondContact O-OG1 3.3Å; M117-T119 VanDerWaalsContact C-N 3.32Å; M117-T119 PolarHBondContact O-N 3.14Å; T119-K123 WeakPolarHBondContact O-CB 3.44Å; T119-K123 PolarHBondContact O-N 2.98Å
120K92.1Very high91Very high13 Ų1379.1 Ų79.16%0.05742%0.419CS..Hα-helixtrans-68-45.8173.7-179.465.5178.1-173.50111.3W4 D79 P81 Y84 A116 M117 G122 K123 M124W4-K120 HydrophobicContact CZ3-CD 4.33Å; D79-K120 WeakPolarHBondContact O-CE 3.4Å; D79-K120 IonicContact OD1-NZ 3.66Å; D79-K120 PolarHBondContact OD1-NZ 3.25Å; D79-K120 VanDerWaalsContact OD1-NZ 3.15Å; P81-K120 HydrophobicContact CB-CB 4.15Å; P81-K120 HydrophobicContact CB-CG 3.96Å; Y84-K120 HydrophobicContact CD1-CB 3.87Å; Y84-K120 HydrophobicContact CD2-CB 4.11Å; Y84-K120 HydrophobicContact CD2-CD 4.27Å; Y84-K120 HydrophobicContact CD2-CG 4.11Å; Y84-K120 HydrophobicContact CE1-CB 4.25Å; Y84-K120 HydrophobicContact CE2-CB 4.48Å; Y84-K120 HydrophobicContact CE2-CD 3.92Å; Y84-K120 HydrophobicContact CE2-CG 4.29Å; Y84-K120 HydrophobicContact CG-CB 3.81Å; Y84-K120 HydrophobicContact CG-CG 4.32Å; A116-K120 PolarHBondContact O-N 3.3Å; M117-K120 PolarHBondContact O-N 3.5Å; K120-G122 PolarHBondContact O-N 3.39Å; K120-K123 PolarHBondContact O-N 3.31Å; K120-M124 HydrophobicContact CD-CG 4.43Å; K120-M124 HydrophobicContact CG-CE 4.25Å; K120-M124 HydrophobicContact CG-SD 4.42Å; K120-M124 WeakPolarHBondContact O-CG 3.42Å; K120-M124 PolarHBondContact O-N 3.31Å
121V93.4Very high90.1Very high24 Ų2476.4 Ų76.415%0.14542%0.417CS..Hα-helixtrans-58-49.4175.8172.40000111P81 M117 F118 K123 M124 E125 W127P81-V121 HydrophobicContact CB-CG2 3.81Å; P81-V121 HydrophobicContact CG-CG2 3.93Å; M117-V121 WeakPolarHBondContact O-CG2 3.48Å; M117-V121 PolarHBondContact O-N 2.73Å; F118-V121 PolarHBondContact O-N 3.43Å; V121-K123 VanDerWaalsContact C-N 3.25Å; V121-K123 PolarHBondContact O-N 3.08Å; V121-M124 HydrophobicContact CG2-CE 4.19Å; V121-M124 PolarHBondContact O-N 2.8Å; V121-E125 HydrophobicContact CG1-CG 4.31Å; V121-E125 PolarHBondContact O-N 3.45Å; V121-W127 HydrophobicContact CG1-CZ2 4.5Å
122G89.8Confident89.4Confident9 Ų979.6 Ų79.69%0.09343%0.432CS..Hα-helixtrans-60.9-33.7177.800000112.9F118 K120 G126 W127F118-G122 PolarHBondContact O-N 3.05Å; K120-G122 PolarHBondContact O-N 3.39Å; G122-G126 CarbonylContact O-C 3.56Å; G122-G126 WeakPolarHBondContact O-CA 3.36Å; G122-G126 PolarHBondContact O-N 3.41Å; G122-W127 PolarHBondContact O-N 3.47Å
123K89.8Confident88.8Confident117 Ų11782.7 Ų82.751%0.50946%0.456SS..Hα-helixtrans-68.7-40.9173.2179.561.3179.6177.90112.3W4 T119 K120 V121W4-K123 HydrophobicContact CD2-CD 4.24Å; W4-K123 HydrophobicContact CD2-CG 4.13Å; W4-K123 HydrophobicContact CE3-CD 4.41Å; W4-K123 HydrophobicContact CE3-CG 3.82Å; W4-K123 HydrophobicContact CH2-CB 4.1Å; W4-K123 HydrophobicContact CH2-CG 4.21Å; W4-K123 HydrophobicContact CZ2-CB 4.46Å; W4-K123 HydrophobicContact CZ2-CG 4.5Å; W4-K123 HydrophobicContact CZ3-CB 4.17Å; W4-K123 HydrophobicContact CZ3-CG 3.87Å; T119-K123 WeakPolarHBondContact O-CB 3.44Å; T119-K123 PolarHBondContact O-N 2.98Å; K120-K123 PolarHBondContact O-N 3.31Å; V121-K123 VanDerWaalsContact C-N 3.25Å; V121-K123 PolarHBondContact O-N 3.08Å
124M89.6Confident87.8Confident91 Ų9192.4 Ų92.445%0.44849%0.492SS..Hα-helixtrans-68.1-42.1178.2-67.6-172.9-59.600112D79 P81 K120 V121 G126D79-M124 VanDerWaalsContact O-SD 3.41Å; P81-M124 HydrophobicContact CB-CE 4.09Å; P81-M124 HydrophobicContact CG-CE 3.79Å; K120-M124 HydrophobicContact CD-CG 4.43Å; K120-M124 HydrophobicContact CG-CE 4.25Å; K120-M124 HydrophobicContact CG-SD 4.42Å; K120-M124 WeakPolarHBondContact O-CG 3.42Å; K120-M124 PolarHBondContact O-N 3.31Å; V121-M124 HydrophobicContact CG2-CE 4.19Å; V121-M124 PolarHBondContact O-N 2.8Å; M124-G126 VanDerWaalsContact C-N 3.31Å
125E90.6Very high86.2Confident129 Ų129102.6 Ų102.660%0.60354%0.54SS*.Hα-helixtrans-83.8-5179.5-66.5-173.3-168.200113.5V121 W127V121-E125 HydrophobicContact CG1-CG 4.31Å; V121-E125 PolarHBondContact O-N 3.45Å; E125-W127 VanDerWaalsContact OE2-CE2 3.3Å; E125-W127 WeakPolarHBondContact OE2-CZ2 3.25Å; E125-W127 PolarHBondContact OE2-NE1 2.86Å
126G88.3Confident85.8Confident51 Ų51102.2 Ų102.253%0.52654%0.538SS..THydrogen-bonded Turntrans71.828.5177.700000114.5G122 M124 R128G122-G126 CarbonylContact O-C 3.56Å; G122-G126 WeakPolarHBondContact O-CA 3.36Å; G122-G126 PolarHBondContact O-N 3.41Å; M124-G126 VanDerWaalsContact C-N 3.31Å; G126-R128 PolarHBondContact O-N 3.39Å
127W88.9Confident85.3Confident145 Ų145107 Ų10755%0.54956%0.561SS.*  trans-59.2134175.8-66.59000110.6V121 G122 E125V121-W127 HydrophobicContact CG1-CZ2 4.5Å; G122-W127 PolarHBondContact O-N 3.47Å; E125-W127 VanDerWaalsContact OE2-CE2 3.3Å; E125-W127 WeakPolarHBondContact OE2-CZ2 3.25Å; E125-W127 PolarHBondContact OE2-NE1 2.86Å
128R82.6Confident84.8Confident173 Ų173109.3 Ų109.365%0.65358%0.575SS**  trans-108.2104.1177-65.7-174.6177.9-178.5-2.1109.3G126G126-R128 PolarHBondContact O-N 3.39Å
129L79Confident84.3Confident188 Ų188108.8 Ų108.898%0.98458%0.578SS**SBendtrans-65.2-39.1175.5-84.4150.6000112.4
130A80.8Confident83.8Confident98 Ų98110.9 Ų110.981%0.8159%0.585SS**SBendtrans-133.8114.3172.300000107.6
131G76.8Confident83.3Confident45 Ų45117.5 Ų117.546%0.46462%0.621SS.*  trans-121.6160176.400000110.4
132P81.8Confident82.5Confident96 Ų96124.1 Ų124.162%0.62366%0.655SS**PPolyproline II helixtrans-55.5142.4168.725.7-32.8000108.9R134P132-R134 PolarHBondContact O-N 3.36Å; P132-R134 VanDerWaalsContact O-N 3.12Å
133P81.7Confident82Confident128 Ų128133 Ų13383%0.83170%0.698SS**PPolyproline II helixtrans-54.5124.3177.123.6-32.6000108.2
134R75Confident81.3Confident204 Ų204134.3 Ų134.377%0.7771%0.713SS**PPolyproline II helixtrans-85.5126.9171.6-68.8-175.3173.3148.7-4.3106.8P132P132-R134 PolarHBondContact O-N 3.36Å; P132-R134 VanDerWaalsContact O-N 3.12Å
135M60.7Low80.6Confident264 Ų264138.3 Ų138.3100%1.374%0.738SS**  trans-74.20168.8-57.4-158.5-157.800110.2

Retrieved 135 of 135 residues in 444.1 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).