A0A021WZA4_DROME Loading...

Sodium/potassium/calcium exchanger 5

Calcium, potassium:sodium antiporter that transports 1 Ca(2+) and 1 K(+) to the melanosome in exchange for 4 cytoplasmic Na(+). Involved in pigmentation, possibly by participating in ion transport in melanosomes. Predominant sodium-calcium exchanger in melanocytes.

AlphaFold DB , UniProt , Accession A0A021WZA4, Species DROME (Drosophila melanogaster, Fruit fly), Gene zyd, Length 499 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
1M38.3Very low66.2Low235 Ų235101.1 Ų101.1100%1.15848%0.484SS*.  0122.70-77.1160.6-178.900107.2Y3M1-Y3 PolarHBondContact O-N 3.33Å
2K37.1Very low67.7Low197 Ų19799.8 Ų99.886%0.85748%0.482SS*.  trans-64.3125.8170.6-88.9176.1172.5176.80106.7I4K2-I4 VanDerWaalsContact C-N 3.35Å; K2-I4 PolarHBondContact O-N 3.46Å
3Y44Very low69.1Low223 Ų22398 Ų9888%0.87548%0.477SS*.  trans-60.9102.7164.7-74.6-90.6000106.9M1 N5M1-Y3 PolarHBondContact O-N 3.33Å; Y3-N5 PolarHBondContact O-N 3.04Å
4I54.3Low70.6Confident109 Ų10991.9 Ų91.956%0.55945%0.446SS*.  trans-79.4107171.5-65.8177.5000104.7K2 C6 C496K2-I4 VanDerWaalsContact C-N 3.35Å; K2-I4 PolarHBondContact O-N 3.46Å; I4-C6 HydrophobicContact CG2-CB 4.3Å; I4-C6 WeakPolarHBondContact CG2-SG 3.46Å; I4-C6 PolarHBondContact O-N 3.34Å; I4-C496 VanDerWaalsContact CG2-SG 3.59Å
5N74.8Confident71.8Confident127 Ų12789.9 Ų89.968%0.67944%0.443SS*.  trans-74.543.3175.4-85.1-12.4000111.4Y3 L493Y3-N5 PolarHBondContact O-N 3.04Å; N5-L493 HydrophobicContact CB-CD2 4.49Å
6C75.2Confident72.7Confident37 Ų3799.4 Ų99.425%0.2547%0.473CS..SBendtrans-151149.2176.960.10000111I4 P494 C496I4-C6 HydrophobicContact CG2-CB 4.3Å; I4-C6 WeakPolarHBondContact CG2-SG 3.46Å; I4-C6 PolarHBondContact O-N 3.34Å; C6-P494 CarbonylContact C-O 3.55Å; C6-P494 WeakPolarHBondContact CA-O 3.37Å; C6-P494 HydrophobicContact CB-CG 4.39Å; C6-P494 WeakPolarHBondContact CB-O 3.46Å; C6-C496 HydrophobicContact CB-CB 3.97Å; C6-C496 WeakPolarHBondContact CB-SG 3.48Å; C6-C496 PolarHBondContact O-SG 3.04Å; C6-C496 VanDerWaalsContact O-SG 3.35Å; C6-C496 WeakPolarHBondContact SG-CA 3.34Å; C6-C496 WeakPolarHBondContact SG-CB 3.27Å; C6-C496 CovalentContact SG-SG 2.03Å; C6-C496 PolarHBondContact SG-SG 3.43Å
7T76.4Confident73.5Confident42 Ų4295.5 Ų95.526%0.25846%0.455SS..BIsolated β-bridgetrans-89.1138.1176.8-48.90000109P494 T495 C496T7-P494 PolarHBondContact N-O 3.38Å; T7-T495 CarbonylContact O-C 3.53Å; T7-T495 WeakPolarHBondContact O-CA 3.26Å; T7-C496 PolarHBondContact O-N 3.02Å
8Q80.7Confident74.2Confident120 Ų12098.7 Ų98.756%0.56148%0.475SS*.PPolyproline II helixtrans-65.6138.1172.8-68.4-66.2-24.900109.3
9P80.4Confident74.9Confident6 Ų696.8 Ų96.84%0.03946%0.464CS..PPolyproline II helixtrans-74.6129.6-178.930.8-33.8000110.7I11 D12 T495P9-I11 HydrophobicContact CB-CG2 3.84Å; P9-I11 HydrophobicContact CG-CG2 4.34Å; P9-I11 PolarHBondContact O-N 2.81Å; P9-D12 WeakPolarHBondContact CG-OD2 3.4Å; P9-D12 PolarHBondContact O-N 2.87Å; P9-T495 HydrophobicContact CB-CG2 4.42Å
10A81.9Confident75.5Confident4 Ų495 Ų953%0.03346%0.462CS..G310 helixtrans-61.1-16.7-175.100000114.3D12 D13 F14 T93 T351 D361A10-D12 PolarHBondContact O-N 3.36Å; A10-D13 WeakPolarHBondContact O-CB 3.22Å; A10-D13 PolarHBondContact O-N 3.27Å; A10-F14 WeakPolarHBondContact O-CD2 3.38Å; A10-T93 HydrophobicContact CB-CG2 4.11Å; A10-T351 HydrophobicContact CB-CG2 3.79Å; A10-D361 WeakPolarHBondContact CB-OD2 3.46Å
11I84.9Confident75.8Confident12 Ų1293.6 Ų93.66%0.06246%0.455CS..G310 helixtrans-63.8-24.7174.1178.9170.3000112.5P9 D13 F14 T351 I352 D355P9-I11 HydrophobicContact CB-CG2 3.84Å; P9-I11 HydrophobicContact CG-CG2 4.34Å; P9-I11 PolarHBondContact O-N 2.81Å; I11-D13 VanDerWaalsContact C-N 3.27Å; I11-F14 PolarHBondContact O-N 3.44Å; I11-T351 HydrophobicContact CB-CG2 3.96Å; I11-T351 VanDerWaalsContact N-CG2 3.34Å; I11-I352 HydrophobicContact CD1-CG1 4.06Å; I11-I352 HydrophobicContact CG1-CG1 4.43Å; I11-D355 HydrophobicContact CB-CB 4.28Å; I11-D355 HydrophobicContact CD1-CB 4.02Å; I11-D355 WeakPolarHBondContact CD1-OD2 3.47Å; I11-D355 HydrophobicContact CG2-CB 3.87Å
12D84.3Confident78Confident86 Ų8685.6 Ų85.646%0.4643%0.426SS..G310 helixtrans-72.7-19.6175.4-80.2-41.5000113P9 A10 F14 R498P9-D12 WeakPolarHBondContact CG-OD2 3.4Å; P9-D12 PolarHBondContact O-N 2.87Å; A10-D12 PolarHBondContact O-N 3.36Å; D12-F14 VanDerWaalsContact C-N 3.27Å; D12-R498 IonicContact OD1-CZ 3.75Å; D12-R498 IonicContact OD1-NE 3.34Å; D12-R498 PolarHBondContact OD1-NE 3.41Å; D12-R498 IonicContact OD1-NH2 3.33Å; D12-R498 PolarHBondContact OD1-NH2 3.33Å; D12-R498 IonicContact OD2-CZ 2.91Å; D12-R498 IonicContact OD2-NE 3.39Å; D12-R498 PolarHBondContact OD2-NE 3.01Å; D12-R498 IonicContact OD2-NH2 3.16Å; D12-R498 PolarHBondContact OD2-NH2 2.97Å
13D86.5Confident80.5Confident76 Ų7680.7 Ų80.741%0.40641%0.406SS..G310 helixtrans-81.1-11.8176.6-55.8-44.6000112.5A10 I11 T93A10-D13 WeakPolarHBondContact O-CB 3.22Å; A10-D13 PolarHBondContact O-N 3.27Å; I11-D13 VanDerWaalsContact C-N 3.27Å; D13-T93 WeakPolarHBondContact OD2-CA 3.39Å
14F89.1Confident82.7Confident12 Ų1270.7 Ų70.75%0.05337%0.367CS..SBendtrans-102.6160.4176.3-70.8-74.3000112.6A10 I11 D12 I88 T93 Y344 A347 W348 T351A10-F14 WeakPolarHBondContact O-CD2 3.38Å; I11-F14 PolarHBondContact O-N 3.44Å; D12-F14 VanDerWaalsContact C-N 3.27Å; F14-I88 HydrophobicContact CE1-CG2 4.42Å; F14-I88 HydrophobicContact CZ-CG2 4.13Å; F14-T93 HydrophobicContact CD2-CG2 4.18Å; F14-T93 HydrophobicContact CE2-CG2 3.28Å; F14-T93 HydrophobicContact CZ-CG2 3.58Å; F14-Y344 AromaticContact CD1-CE2 3.85Å; F14-Y344 HydrophobicContact CD1-CE2 3.85Å; F14-Y344 AromaticContact CD1-CZ 3.81Å; F14-Y344 HydrophobicContact CE1-CD2 4.04Å; F14-Y344 AromaticContact CE1-CE2 3.59Å; F14-Y344 HydrophobicContact CE1-CE2 3.59Å; F14-Y344 AromaticContact CE1-CZ 4Å; F14-A347 HydrophobicContact CZ-CB 4.02Å; F14-W348 HydrophobicContact CB-CG 3.95Å; F14-W348 HydrophobicContact CD1-CB 3.6Å; F14-W348 AromaticContact CD1-CD1 3.91Å; F14-W348 AromaticContact CD1-CG 3.8Å; F14-W348 HydrophobicContact CD1-CG 3.8Å; F14-W348 HydrophobicContact CE1-CB 3.8Å; F14-W348 HydrophobicContact CE1-CG 4.49Å; F14-W348 HydrophobicContact CG-CB 4.03Å; F14-W348 AromaticContact CG-CD1 3.54Å; F14-W348 AromaticContact CG-CG 3.92Å; F14-W348 HydrophobicContact CG-CG 3.92Å; F14-W348 HydrophobicContact CZ-CB 4.37Å; F14-T351 HydrophobicContact CD2-CG2 4.27Å; F14-T351 HydrophobicContact CE2-CG2 4.27Å
15P89.7Confident84.3Confident62 Ų6271 Ų7140%0.40337%0.366SS..PPolyproline II helixtrans-56.1148.3173-22.432.5000111.7D17 Y344 W348P15-D17 PolarHBondContact O-N 3.5Å; P15-Y344 VanDerWaalsContact CD-OH 3.25Å; P15-Y344 WeakPolarHBondContact CD-OH 3.48Å; P15-W348 HydrophobicContact CB-CH2 3.98Å; P15-W348 HydrophobicContact CB-CZ2 3.75Å; P15-W348 HydrophobicContact CG-CH2 4.36Å; P15-W348 HydrophobicContact CG-CZ2 4.3Å; P15-W348 WeakPolarHBondContact O-CZ2 3.45Å; P15-W348 PolarHBondContact O-NE1 3.14Å
16R85.5Confident84.9Confident242 Ų24269.7 Ų69.791%0.91337%0.367SS*.PPolyproline II helixtrans-61.9131.9178.3-67.7-175.8179.5178.2-0.5110.5
17D86.9Confident85.5Confident33 Ų3369.7 Ų69.718%0.17637%0.373CS..PPolyproline II helixtrans-64.3154175-178.724.9000111.6P15 F19 R24 H32 I352P15-D17 PolarHBondContact O-N 3.5Å; D17-F19 VanDerWaalsContact C-N 3.25Å; D17-F19 PolarHBondContact O-N 2.97Å; D17-R24 VanDerWaalsContact OD2-CD 3.32Å; D17-R24 WeakPolarHBondContact OD2-CD 3.32Å; D17-R24 IonicContact OD2-NH1 2.77Å; D17-R24 PolarHBondContact OD2-NH1 3.08Å; D17-R24 VanDerWaalsContact OD2-NH1 3.16Å; D17-H32 IonicContact OD1-CE1 3.39Å; D17-H32 IonicContact OD1-NE2 3.39Å; D17-H32 PolarHBondContact OD1-NE2 2.9Å; D17-H32 IonicContact OD2-CE1 2.64Å; D17-H32 PolarHBondContact OD2-CE1 3.33Å; D17-H32 IonicContact OD2-NE2 3.7Å; D17-H32 PolarHBondContact OD2-NE2 2.87Å; D17-I352 HydrophobicContact CB-CD1 3.98Å
18L85Confident86.2Confident154 Ų15468.4 Ų68.481%0.80637%0.367SS*.SBendtrans-65.9-29.8175.3-164.179.3000111.8
19F88.4Confident86.6Confident62 Ų6263.8 Ų63.827%0.27235%0.346SS..SBendtrans-101.3141.8-178.8-58.2-80.1000112D17 Q23 R24 A28 L31 H32D17-F19 VanDerWaalsContact C-N 3.25Å; D17-F19 PolarHBondContact O-N 2.97Å; F19-Q23 HydrophobicContact CB-CB 4.17Å; F19-Q23 HydrophobicContact CD1-CB 4.44Å; F19-R24 HydrophobicContact CB-CG 3.99Å; F19-A28 HydrophobicContact CB-CB 4.41Å; F19-A28 HydrophobicContact CD1-CB 3.97Å; F19-A28 HydrophobicContact CD2-CB 4.38Å; F19-A28 HydrophobicContact CE1-CB 4.31Å; F19-A28 HydrophobicContact CG-CB 3.99Å; F19-L31 HydrophobicContact CE2-CD1 4.32Å; F19-L31 HydrophobicContact CZ-CD1 3.94Å; F19-H32 AromaticContact CD2-CE1 3.73Å
20S86.1Confident87.2Confident60 Ų6067.6 Ų67.642%0.4237%0.369SS..  trans-69.9157.917060.60000111.8A22 Q23 R24S20-A22 VanDerWaalsContact C-N 3.25Å; S20-A22 PolarHBondContact O-N 2.92Å; S20-Q23 WeakPolarHBondContact O-CA 3.28Å; S20-Q23 WeakPolarHBondContact O-CB 3.35Å; S20-Q23 PolarHBondContact O-N 3.26Å; S20-Q23 VanDerWaalsContact OG-CG 3.31Å; S20-Q23 WeakPolarHBondContact OG-CG 3.21Å; S20-Q23 PolarHBondContact OG-N 3.48Å; S20-Q23 PolarHBondContact OG-OE1 3.44Å; S20-R24 PolarHBondContact O-N 2.84Å
21E83.4Confident87.7Confident66 Ų6672.3 Ų72.331%0.30839%0.394SS..Hα-helixtrans-54.6-41.4178.4-173.7175.4-17700112Q23 R24 Q25 K358E21-Q23 VanDerWaalsContact C-N 3.35Å; E21-Q23 PolarHBondContact O-N 3.42Å; E21-R24 PolarHBondContact O-N 2.99Å; E21-Q25 WeakPolarHBondContact O-CG 3.49Å; E21-Q25 PolarHBondContact O-N 3.24Å; E21-Q25 PolarHBondContact OE1-NE2 2.91Å; E21-K358 IonicContact OE1-NZ 3.3Å; E21-K358 PolarHBondContact OE1-NZ 3.46Å
22A84.3Confident88.1Confident68 Ų6872.1 Ų72.156%0.56239%0.393SS*.Hα-helixtrans-62.6-39.717600000112.4S20 S26S20-A22 VanDerWaalsContact C-N 3.25Å; S20-A22 PolarHBondContact O-N 2.92Å; A22-S26 WeakPolarHBondContact O-CB 3.26Å; A22-S26 PolarHBondContact O-N 3.4Å; A22-S26 PolarHBondContact O-OG 2.82Å
23Q89.3Confident88.5Confident93 Ų9370.7 Ų70.744%0.43539%0.387SS..Hα-helixtrans-67.6-40.1175.9-75.2168.6-41.100111.6F19 S20 E21 S26 G27 A28F19-Q23 HydrophobicContact CB-CB 4.17Å; F19-Q23 HydrophobicContact CD1-CB 4.44Å; S20-Q23 WeakPolarHBondContact O-CA 3.28Å; S20-Q23 WeakPolarHBondContact O-CB 3.35Å; S20-Q23 PolarHBondContact O-N 3.26Å; S20-Q23 VanDerWaalsContact OG-CG 3.31Å; S20-Q23 WeakPolarHBondContact OG-CG 3.21Å; S20-Q23 PolarHBondContact OG-N 3.48Å; S20-Q23 PolarHBondContact OG-OE1 3.44Å; E21-Q23 VanDerWaalsContact C-N 3.35Å; E21-Q23 PolarHBondContact O-N 3.42Å; Q23-S26 WeakPolarHBondContact CA-OG 3.41Å; Q23-S26 PolarHBondContact O-N 3.35Å; Q23-S26 PolarHBondContact O-OG 3.26Å; Q23-G27 PolarHBondContact O-N 2.71Å; Q23-A28 VanDerWaalsContact O-CB 3.29Å; Q23-A28 WeakPolarHBondContact O-CB 3.35Å; Q23-A28 PolarHBondContact O-N 3.34Å; Q23-A28 VanDerWaalsContact O-N 3.1Å
24R89.5Confident88.8Confident13 Ų1372 Ų725%0.04939%0.393CS..Iπ-helixtrans-60.1-48.5174.7-66.2-163.7-65.7-114.97.5111.7D17 F19 S20 E21 S26 G27 A28 V29 I352 D355 T356D17-R24 VanDerWaalsContact OD2-CD 3.32Å; D17-R24 WeakPolarHBondContact OD2-CD 3.32Å; D17-R24 IonicContact OD2-NH1 2.77Å; D17-R24 PolarHBondContact OD2-NH1 3.08Å; D17-R24 VanDerWaalsContact OD2-NH1 3.16Å; F19-R24 HydrophobicContact CB-CG 3.99Å; S20-R24 PolarHBondContact O-N 2.84Å; E21-R24 PolarHBondContact O-N 2.99Å; R24-S26 VanDerWaalsContact C-N 3.28Å; R24-S26 PolarHBondContact O-N 3.18Å; R24-G27 PolarHBondContact O-N 3.25Å; R24-G27 VanDerWaalsContact O-N 3.14Å; R24-A28 PolarHBondContact O-N 3.46Å; R24-V29 PolarHBondContact O-N 2.93Å; R24-I352 VanDerWaalsContact CD-CG2 3.42Å; R24-D355 IonicContact NH2-OD2 3.35Å; R24-D355 PolarHBondContact NH2-OD2 3.26Å; R24-T356 HydrophobicContact CB-CG2 3.72Å; R24-T356 WeakPolarHBondContact CD-OG1 3.02Å; R24-T356 PolarHBondContact NE-OG1 3.43Å
25Q87.7Confident89Confident116 Ų11673.2 Ų73.254%0.54241%0.405SS..Iπ-helixtrans-64.1-31.5176.6-70.3177.8-0.600112.7E21 G27 T356E21-Q25 WeakPolarHBondContact O-CG 3.49Å; E21-Q25 PolarHBondContact O-N 3.24Å; E21-Q25 PolarHBondContact OE1-NE2 2.91Å; Q25-G27 PolarHBondContact O-N 3.32Å; Q25-T356 HydrophobicContact CG-CG2 4.08Å
26S88.1Confident89.1Confident99 Ų9970.4 Ų70.469%0.69239%0.386SS*.Iπ-helixtrans-74-4.2176.174.70000114.7A22 Q23 R24A22-S26 WeakPolarHBondContact O-CB 3.26Å; A22-S26 PolarHBondContact O-N 3.4Å; A22-S26 PolarHBondContact O-OG 2.82Å; Q23-S26 WeakPolarHBondContact CA-OG 3.41Å; Q23-S26 PolarHBondContact O-N 3.35Å; Q23-S26 PolarHBondContact O-OG 3.26Å; R24-S26 VanDerWaalsContact C-N 3.28Å; R24-S26 PolarHBondContact O-N 3.18Å
27G87.8Confident89.4Confident37 Ų3763.9 Ų63.938%0.38137%0.369SS..Iπ-helixtrans131.5-9.917400000115.3Q23 R24 Q25 V29 V30Q23-G27 PolarHBondContact O-N 2.71Å; R24-G27 PolarHBondContact O-N 3.25Å; R24-G27 VanDerWaalsContact O-N 3.14Å; Q25-G27 PolarHBondContact O-N 3.32Å; G27-V29 PolarHBondContact O-N 3.32Å; G27-V29 VanDerWaalsContact O-N 3.11Å; G27-V30 PolarHBondContact O-N 3.04Å; G27-V30 VanDerWaalsContact O-N 3.1Å
28A90.2Very high89.7Confident15 Ų1566.5 Ų66.512%0.12438%0.377CS..Iπ-helixtrans-66-13.3178.300000113.2F19 Q23 R24 V30 L31 H32F19-A28 HydrophobicContact CB-CB 4.41Å; F19-A28 HydrophobicContact CD1-CB 3.97Å; F19-A28 HydrophobicContact CD2-CB 4.38Å; F19-A28 HydrophobicContact CE1-CB 4.31Å; F19-A28 HydrophobicContact CG-CB 3.99Å; Q23-A28 VanDerWaalsContact O-CB 3.29Å; Q23-A28 WeakPolarHBondContact O-CB 3.35Å; Q23-A28 PolarHBondContact O-N 3.34Å; Q23-A28 VanDerWaalsContact O-N 3.1Å; R24-A28 PolarHBondContact O-N 3.46Å; A28-V30 PolarHBondContact O-N 2.87Å; A28-L31 WeakPolarHBondContact O-CB 3.34Å; A28-L31 PolarHBondContact O-N 3.44Å; A28-H32 PolarHBondContact O-ND1 3.03Å; A28-H32 VanDerWaalsContact O-ND1 3.12Å
29V90.9Very high90.1Very high23 Ų2360.5 Ų60.514%0.13935%0.346CS..Hα-helixtrans-58.9-29.9170.371.70000112.8R24 G27 L31 H32 V33 I353 T356R24-V29 PolarHBondContact O-N 2.93Å; G27-V29 PolarHBondContact O-N 3.32Å; G27-V29 VanDerWaalsContact O-N 3.11Å; V29-L31 VanDerWaalsContact C-N 3.27Å; V29-L31 PolarHBondContact O-N 3.26Å; V29-H32 WeakPolarHBondContact O-CB 3.3Å; V29-H32 PolarHBondContact O-N 2.73Å; V29-H32 VanDerWaalsContact O-N 3.1Å; V29-V33 PolarHBondContact O-N 3.39Å; V29-I353 HydrophobicContact CG2-CG1 4.23Å; V29-I353 HydrophobicContact CG2-CG2 4.35Å; V29-T356 HydrophobicContact CB-CG2 4.1Å; V29-T356 HydrophobicContact CG2-CG2 4.06Å
30V92.3Very high90.3Very high86 Ų8658.5 Ų58.552%0.52134%0.337SS..Hα-helixtrans-63.8-34.7179.1178.20000111.4G27 A28 H32 V33 I34G27-V30 PolarHBondContact O-N 3.04Å; G27-V30 VanDerWaalsContact O-N 3.1Å; A28-V30 PolarHBondContact O-N 2.87Å; V30-H32 VanDerWaalsContact C-N 3.31Å; V30-H32 PolarHBondContact O-N 3.02Å; V30-V33 PolarHBondContact O-N 2.93Å; V30-I34 HydrophobicContact CG1-CD1 3.99Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CG1 3.42Å; V30-I34 PolarHBondContact O-N 3.45Å
31L92.6Very high90.5Very high103 Ų10358.4 Ų58.454%0.53933%0.334SS..Hα-helixtrans-64-39.2175.4-65175.2000111.3F19 A28 V29 I34 A35F19-L31 HydrophobicContact CE2-CD1 4.32Å; F19-L31 HydrophobicContact CZ-CD1 3.94Å; A28-L31 WeakPolarHBondContact O-CB 3.34Å; A28-L31 PolarHBondContact O-N 3.44Å; V29-L31 VanDerWaalsContact C-N 3.27Å; V29-L31 PolarHBondContact O-N 3.26Å; L31-I34 PolarHBondContact O-N 3.41Å; L31-A35 VanDerWaalsContact O-CB 3.29Å; L31-A35 WeakPolarHBondContact O-CB 3.36Å; L31-A35 PolarHBondContact O-N 3.36Å
32H92.9Very high91Very high9 Ų955.5 Ų55.54%0.04232%0.321CS..Hα-helixtrans-65.1-42.4175.1-66.183.2000111.3D17 F19 A28 V29 V30 I34 A35 S36 I353D17-H32 IonicContact OD1-CE1 3.39Å; D17-H32 IonicContact OD1-NE2 3.39Å; D17-H32 PolarHBondContact OD1-NE2 2.9Å; D17-H32 IonicContact OD2-CE1 2.64Å; D17-H32 PolarHBondContact OD2-CE1 3.33Å; D17-H32 IonicContact OD2-NE2 3.7Å; D17-H32 PolarHBondContact OD2-NE2 2.87Å; F19-H32 AromaticContact CD2-CE1 3.73Å; A28-H32 PolarHBondContact O-ND1 3.03Å; A28-H32 VanDerWaalsContact O-ND1 3.12Å; V29-H32 WeakPolarHBondContact O-CB 3.3Å; V29-H32 PolarHBondContact O-N 2.73Å; V29-H32 VanDerWaalsContact O-N 3.1Å; V30-H32 VanDerWaalsContact C-N 3.31Å; V30-H32 PolarHBondContact O-N 3.02Å; H32-I34 PolarHBondContact O-N 3.49Å; H32-A35 PolarHBondContact O-N 2.94Å; H32-S36 WeakPolarHBondContact O-CB 3.4Å; H32-S36 PolarHBondContact O-N 3.22Å; H32-S36 PolarHBondContact O-OG 2.89Å; H32-I353 HydrophobicContact CB-CD1 4.06Å; H32-I353 HydrophobicContact CB-CG1 3.76Å
33V92.9Very high91.3Very high55 Ų5552.4 Ų52.433%0.33330%0.295SS..Hα-helixtrans-60.9-46.3176.4174.60000111.2V29 V30 A35 S36 L37 I353V29-V33 PolarHBondContact O-N 3.39Å; V30-V33 PolarHBondContact O-N 2.93Å; V33-A35 VanDerWaalsContact C-N 3.34Å; V33-A35 PolarHBondContact O-N 2.98Å; V33-S36 PolarHBondContact O-N 2.9Å; V33-L37 HydrophobicContact CG1-CD1 4.33Å; V33-L37 WeakPolarHBondContact O-CG 3.02Å; V33-L37 PolarHBondContact O-N 3.03Å; V33-I353 HydrophobicContact CB-CD1 4.47Å; V33-I353 HydrophobicContact CG2-CD1 3.85Å; V33-I353 HydrophobicContact CG2-CG1 4.15Å; V33-I353 HydrophobicContact CG2-CG2 4.33Å
34I92.6Very high91.3Very high104 Ų10449 Ų4953%0.53328%0.282SS..Hα-helixtrans-63.1-42.7177.4-66.9168.6000110.6V30 L31 H32 L37 Y38V30-I34 HydrophobicContact CG1-CD1 3.99Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CG1 3.42Å; V30-I34 PolarHBondContact O-N 3.45Å; L31-I34 PolarHBondContact O-N 3.41Å; H32-I34 PolarHBondContact O-N 3.49Å; I34-L37 PolarHBondContact O-N 3.09Å; I34-Y38 WeakPolarHBondContact O-CB 2.84Å; I34-Y38 PolarHBondContact O-N 2.73Å
35A93.3Very high91.2Very high37 Ų3749 Ų4931%0.30628%0.284SS..Hα-helixtrans-61.1-46.5176.500000111.6L31 H32 V33 L37 Y38 L39L31-A35 VanDerWaalsContact O-CB 3.29Å; L31-A35 WeakPolarHBondContact O-CB 3.36Å; L31-A35 PolarHBondContact O-N 3.36Å; H32-A35 PolarHBondContact O-N 2.94Å; V33-A35 VanDerWaalsContact C-N 3.34Å; V33-A35 PolarHBondContact O-N 2.98Å; A35-L37 PolarHBondContact O-N 3.25Å; A35-Y38 PolarHBondContact O-N 3.4Å; A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.4Å; A35-L39 PolarHBondContact O-N 3.48Å
36S92.7Very high91.3Very high3 Ų343.5 Ų43.52%0.02126%0.259CS..Hα-helixtrans-58.9-46.9176.7-61.30000112H32 V33 Y38 L39 F40 M349H32-S36 WeakPolarHBondContact O-CB 3.4Å; H32-S36 PolarHBondContact O-N 3.22Å; H32-S36 PolarHBondContact O-OG 2.89Å; V33-S36 PolarHBondContact O-N 2.9Å; S36-Y38 VanDerWaalsContact C-N 3.31Å; S36-Y38 PolarHBondContact O-N 3.22Å; S36-L39 PolarHBondContact O-N 3.2Å; S36-F40 WeakPolarHBondContact O-CD2 3.29Å; S36-F40 PolarHBondContact O-N 2.87Å; S36-M349 WeakPolarHBondContact OG-CB 3.36Å
37L91.8Very high91.3Very high106 Ų10639 Ų3956%0.55523%0.227SC*.Hα-helixtrans-60-41.6176.8-69.9174.7000112V33 I34 A35 F40 V41V33-L37 HydrophobicContact CG1-CD1 4.33Å; V33-L37 WeakPolarHBondContact O-CG 3.02Å; V33-L37 PolarHBondContact O-N 3.03Å; I34-L37 PolarHBondContact O-N 3.09Å; A35-L37 PolarHBondContact O-N 3.25Å; L37-F40 PolarHBondContact O-N 3.48Å; L37-V41 WeakPolarHBondContact O-CG2 3.46Å; L37-V41 PolarHBondContact O-N 3.3Å
38Y92.6Very high91.1Very high88 Ų8840.3 Ų40.335%0.34523%0.225SC..Hα-helixtrans-65.6-38.6177-171.9-97.5000112.2I34 A35 S36 V41 A42 I304 I308I34-Y38 WeakPolarHBondContact O-CB 2.84Å; I34-Y38 PolarHBondContact O-N 2.73Å; A35-Y38 PolarHBondContact O-N 3.4Å; S36-Y38 VanDerWaalsContact C-N 3.31Å; S36-Y38 PolarHBondContact O-N 3.22Å; Y38-V41 PolarHBondContact O-N 2.96Å; Y38-A42 PolarHBondContact O-N 3.47Å; Y38-I304 HydrophobicContact CD2-CG2 4.14Å; Y38-I304 HydrophobicContact CE2-CG2 4.06Å; Y38-I304 WeakPolarHBondContact CE2-O 3.42Å; Y38-I308 HydrophobicContact CD1-CD1 4.29Å; Y38-I308 HydrophobicContact CD2-CD1 4.07Å; Y38-I308 HydrophobicContact CE1-CD1 3.89Å; Y38-I308 HydrophobicContact CE1-CG1 3.71Å; Y38-I308 HydrophobicContact CE2-CD1 3.66Å; Y38-I308 HydrophobicContact CE2-CG1 3.83Å; Y38-I308 HydrophobicContact CG-CD1 4.38Å; Y38-I308 WeakPolarHBondContact OH-CG1 3.44Å
39L93.7Very high90.8Very high28 Ų2842.2 Ų42.215%0.14723%0.232CC..Hα-helixtrans-69.3-35.6176.4-69.6167.9000112.7A35 S36 V41 A42 L43 L342 V345 V346 M349A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.4Å; A35-L39 PolarHBondContact O-N 3.48Å; S36-L39 PolarHBondContact O-N 3.2Å; L39-V41 VanDerWaalsContact C-N 3.34Å; L39-A42 WeakPolarHBondContact O-CB 3.5Å; L39-A42 PolarHBondContact O-N 2.93Å; L39-A42 VanDerWaalsContact O-N 3.15Å; L39-L43 PolarHBondContact O-N 3.14Å; L39-L342 HydrophobicContact CD2-CD2 3.92Å; L39-V345 HydrophobicContact CD1-CB 4.22Å; L39-V345 HydrophobicContact CD1-CG1 3.55Å; L39-V345 HydrophobicContact CD2-CG1 4.47Å; L39-V346 HydrophobicContact CB-CG2 3.45Å; L39-V346 VanDerWaalsContact CB-CG2 3.45Å; L39-V346 HydrophobicContact CD1-CG2 4.13Å; L39-V346 HydrophobicContact CG-CG2 4.39Å; L39-M349 HydrophobicContact CD1-CG 4.16Å
40F92.6Very high90.7Very high20 Ų2042.2 Ų42.29%0.08823%0.229CC..Hα-helixtrans-62.2-42.1171.7-74.2-56.6000111.8S36 L37 A42 L43 A44 V346 I350 L369 G372 T373S36-F40 WeakPolarHBondContact O-CD2 3.29Å; S36-F40 PolarHBondContact O-N 2.87Å; L37-F40 PolarHBondContact O-N 3.48Å; F40-A42 VanDerWaalsContact C-N 3.28Å; F40-A42 PolarHBondContact O-N 3.19Å; F40-L43 HydrophobicContact CD1-CD1 4.4Å; F40-L43 PolarHBondContact O-N 3.04Å; F40-A44 WeakPolarHBondContact O-CB 3.35Å; F40-A44 PolarHBondContact O-N 2.88Å; F40-V346 HydrophobicContact CD1-CG1 4.14Å; F40-V346 HydrophobicContact CE1-CG1 3.38Å; F40-V346 HydrophobicContact CE2-CG1 4.29Å; F40-V346 HydrophobicContact CZ-CG1 3.46Å; F40-V346 VanDerWaalsContact CZ-CG1 3.46Å; F40-I350 HydrophobicContact CE2-CD1 4.25Å; F40-I350 HydrophobicContact CZ-CD1 4.39Å; F40-I350 HydrophobicContact CZ-CG1 4.4Å; F40-L369 HydrophobicContact CE1-CD1 3.89Å; F40-L369 HydrophobicContact CZ-CD1 3.88Å; F40-G372 VanDerWaalsContact CD1-CA 3.44Å; F40-G372 WeakPolarHBondContact CD1-O 3.44Å; F40-G372 VanDerWaalsContact CE1-CA 3.48Å; F40-T373 HydrophobicContact CE1-CG2 4.39Å
41V90.5Very high90.6Very high57 Ų5738.7 Ų38.735%0.34521%0.207SC..Hα-helixtrans-61.8-39.4172.7175.60000110.8L37 Y38 L39 A44 V45 I305 I308L37-V41 WeakPolarHBondContact O-CG2 3.46Å; L37-V41 PolarHBondContact O-N 3.3Å; Y38-V41 PolarHBondContact O-N 2.96Å; L39-V41 VanDerWaalsContact C-N 3.34Å; V41-A44 WeakPolarHBondContact O-CB 3.43Å; V41-A44 PolarHBondContact O-N 2.76Å; V41-V45 VanDerWaalsContact O-CG2 3.31Å; V41-V45 WeakPolarHBondContact O-CG2 3.34Å; V41-V45 PolarHBondContact O-N 2.84Å; V41-I305 HydrophobicContact CG1-CD1 4.4Å; V41-I305 HydrophobicContact CG1-CG1 4.17Å; V41-I305 HydrophobicContact CG1-CG2 4.42Å; V41-I308 HydrophobicContact CB-CD1 4.25Å; V41-I308 HydrophobicContact CG1-CD1 3.87Å
42A92.1Very high90.3Very high5 Ų534.8 Ų34.84%0.04119%0.187CC..Hα-helixtrans-63.7-45.2176.200000112.2Y38 L39 F40 V45 V46 I308 F312 L342Y38-A42 PolarHBondContact O-N 3.47Å; L39-A42 WeakPolarHBondContact O-CB 3.5Å; L39-A42 PolarHBondContact O-N 2.93Å; L39-A42 VanDerWaalsContact O-N 3.15Å; F40-A42 VanDerWaalsContact C-N 3.28Å; F40-A42 PolarHBondContact O-N 3.19Å; A42-V45 PolarHBondContact O-N 3.32Å; A42-V46 WeakPolarHBondContact O-CG2 3.47Å; A42-V46 PolarHBondContact O-N 2.8Å; A42-I308 HydrophobicContact CB-CD1 4.14Å; A42-I308 HydrophobicContact CB-CG2 3.97Å; A42-F312 HydrophobicContact CB-CE2 4.06Å; A42-F312 HydrophobicContact CB-CZ 3.97Å; A42-F312 WeakPolarHBondContact O-CE2 3.39Å; A42-L342 HydrophobicContact CB-CD1 4.45Å; A42-L342 HydrophobicContact CB-CD2 4.44Å
43L91.7Very high90Very high4 Ų435 Ų352%0.02119%0.189CC..Hα-helixtrans-57.7-48174-82.1171.9000111.6L39 F40 V45 V46 C47 I339 L342 V346L39-L43 PolarHBondContact O-N 3.14Å; F40-L43 HydrophobicContact CD1-CD1 4.4Å; F40-L43 PolarHBondContact O-N 3.04Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 2.93Å; L43-V46 PolarHBondContact O-N 3.02Å; L43-C47 PolarHBondContact O-N 2.85Å; L43-C47 PolarHBondContact O-SG 2.9Å; L43-I339 HydrophobicContact CD2-CG2 4.21Å; L43-L342 HydrophobicContact CD2-CB 3.44Å; L43-L342 VanDerWaalsContact CD2-CB 3.44Å; L43-L342 HydrophobicContact CD2-CD1 4.14Å; L43-L342 HydrophobicContact CD2-CG 4.45Å; L43-L342 HydrophobicContact CG-CB 3.8Å; L43-L342 HydrophobicContact CG-CD1 4.46Å; L43-V346 HydrophobicContact CD1-CB 4.49Å; L43-V346 HydrophobicContact CD1-CG2 3.8Å
44A88.6Confident89.8Confident20 Ų2032.3 Ų32.317%0.16517%0.173CC..Hα-helixtrans-54.4-47.9177.100000111.9F40 V41 V46 C47 D48 P376F40-A44 WeakPolarHBondContact O-CB 3.35Å; F40-A44 PolarHBondContact O-N 2.88Å; V41-A44 WeakPolarHBondContact O-CB 3.43Å; V41-A44 PolarHBondContact O-N 2.76Å; A44-V46 PolarHBondContact O-N 2.93Å; A44-C47 PolarHBondContact O-N 3.31Å; A44-D48 WeakPolarHBondContact O-CB 3.47Å; A44-D48 PolarHBondContact O-N 3.2Å; A44-P376 HydrophobicContact CB-CB 4Å; A44-P376 HydrophobicContact CB-CG 3.37Å
45V87.1Confident89.5Confident15 Ų1527.5 Ų27.59%0.09115%0.149CC..Hα-helixtrans-63.8-42.8179.7171.30000111.6V41 A42 L43 C47 E49 Y50 I305 I308 F312V41-V45 VanDerWaalsContact O-CG2 3.31Å; V41-V45 WeakPolarHBondContact O-CG2 3.34Å; V41-V45 PolarHBondContact O-N 2.84Å; A42-V45 PolarHBondContact O-N 3.32Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 2.93Å; V45-C47 VanDerWaalsContact C-N 3.35Å; V45-E49 VanDerWaalsContact O-CB 3.3Å; V45-E49 WeakPolarHBondContact O-CB 3.45Å; V45-E49 PolarHBondContact O-N 3.46Å; V45-Y50 HydrophobicContact CG1-CE2 4.38Å; V45-I305 HydrophobicContact CG2-CG2 4.38Å; V45-I308 HydrophobicContact CB-CG2 4.35Å; V45-I308 HydrophobicContact CG1-CG2 4.43Å; V45-I308 HydrophobicContact CG2-CG2 4.48Å; V45-F312 HydrophobicContact CB-CD2 4.44Å; V45-F312 HydrophobicContact CB-CE2 4.4Å; V45-F312 HydrophobicContact CG1-CD2 3.89Å; V45-F312 HydrophobicContact CG1-CE2 4.34Å
46V90.6Very high89.2Confident0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-64-43.4177.8178.70000110.9A42 L43 A44 Y50 F51 F312 I316 C335 W338 I339 L342A42-V46 WeakPolarHBondContact O-CG2 3.47Å; A42-V46 PolarHBondContact O-N 2.8Å; L43-V46 PolarHBondContact O-N 3.02Å; A44-V46 PolarHBondContact O-N 2.93Å; V46-Y50 WeakPolarHBondContact O-CB 3.24Å; V46-Y50 PolarHBondContact O-N 3.37Å; V46-F51 WeakPolarHBondContact O-CB 3.33Å; V46-F51 PolarHBondContact O-N 2.86Å; V46-F312 HydrophobicContact CG2-CD1 3.86Å; V46-F312 HydrophobicContact CG2-CD2 3.67Å; V46-F312 HydrophobicContact CG2-CE1 3.52Å; V46-F312 HydrophobicContact CG2-CE2 3.28Å; V46-F312 HydrophobicContact CG2-CG 3.96Å; V46-F312 HydrophobicContact CG2-CZ 3.22Å; V46-I316 HydrophobicContact CG1-CD1 4.08Å; V46-I316 HydrophobicContact CG2-CD1 4.33Å; V46-C335 HydrophobicContact CG1-CB 4.29Å; V46-W338 HydrophobicContact CG1-CB 4.41Å; V46-I339 HydrophobicContact CB-CG1 4.4Å; V46-I339 HydrophobicContact CG1-CD1 4.24Å; V46-I339 HydrophobicContact CG1-CG1 3.72Å; V46-L342 HydrophobicContact CG2-CD1 4.05Å
47C88.4Confident88.8Confident5 Ų532 Ų323%0.03416%0.162CC..Iπ-helixtrans-65.3-54.7-177.8-62.80000111.4L43 A44 V45 F51 V52 P81L43-C47 PolarHBondContact O-N 2.85Å; L43-C47 PolarHBondContact O-SG 2.9Å; A44-C47 PolarHBondContact O-N 3.31Å; V45-C47 VanDerWaalsContact C-N 3.35Å; C47-F51 WeakPolarHBondContact O-CB 3.15Å; C47-F51 PolarHBondContact O-N 2.86Å; C47-V52 WeakPolarHBondContact O-CG2 3.19Å; C47-V52 PolarHBondContact O-N 3.49Å; C47-P81 WeakPolarHBondContact SG-CG 3.4Å
48D83.5Confident88.6Confident64 Ų6428.2 Ų28.234%0.34214%0.142SC..Iπ-helixtrans-77.2-41.2-172.7-69.3-18.2000113.2A44 P53A44-D48 WeakPolarHBondContact O-CB 3.47Å; A44-D48 PolarHBondContact O-N 3.2Å; D48-P53 WeakPolarHBondContact O-CD 3.49Å
49E83.4Confident88.1Confident54 Ų5424.5 Ų24.525%0.25213%0.129SC..Iπ-helixtrans-89.6-20.9-172.5-70.7-72.3165.800113.7V45 R280 K320V45-E49 VanDerWaalsContact O-CB 3.3Å; V45-E49 WeakPolarHBondContact O-CB 3.45Å; V45-E49 PolarHBondContact O-N 3.46Å; E49-R280 IonicContact OE1-NH2 3.5Å; E49-R280 PolarHBondContact OE1-NH2 3.5Å; E49-R280 IonicContact OE2-NH2 3.58Å; E49-K320 VanDerWaalsContact O-CE 3.25Å; E49-K320 WeakPolarHBondContact O-CE 3.26Å; E49-K320 PolarHBondContact O-NZ 2.97Å; E49-K320 IonicContact OE2-NZ 2.67Å; E49-K320 PolarHBondContact OE2-NZ 3.48Å
50Y88.7Confident87.6Confident23 Ų2326.4 Ų26.49%0.0915%0.149CC..Iπ-helixtrans-125.2-48.2-175.6-62-92.1000112.9V45 V46 A54 F312 I316 C335V45-Y50 HydrophobicContact CG1-CE2 4.38Å; V46-Y50 WeakPolarHBondContact O-CB 3.24Å; V46-Y50 PolarHBondContact O-N 3.37Å; Y50-A54 VanDerWaalsContact O-CB 3.31Å; Y50-A54 WeakPolarHBondContact O-CB 3.23Å; Y50-A54 PolarHBondContact O-N 2.86Å; Y50-A54 VanDerWaalsContact O-N 3.14Å; Y50-F312 HydrophobicContact CE2-CB 3.86Å; Y50-I316 HydrophobicContact CD1-CB 4.01Å; Y50-I316 HydrophobicContact CD1-CG2 3.59Å; Y50-I316 HydrophobicContact CE1-CB 4.19Å; Y50-I316 HydrophobicContact CE1-CG2 4.23Å; Y50-I316 HydrophobicContact CG-CD1 4.37Å; Y50-I316 HydrophobicContact CG-CG2 4.11Å; Y50-C335 VanDerWaalsContact CB-SG 3.58Å
51F90.4Very high87.2Confident12 Ų1228.4 Ų28.45%0.05317%0.169CC..Iπ-helixtrans-74.7-52-171.2-171.4-131.4000112.8V46 C47 A54 V55 A77 A80 F332 C335 I336 I339V46-F51 WeakPolarHBondContact O-CB 3.33Å; V46-F51 PolarHBondContact O-N 2.86Å; C47-F51 WeakPolarHBondContact O-CB 3.15Å; C47-F51 PolarHBondContact O-N 2.86Å; F51-A54 WeakPolarHBondContact O-CB 3.44Å; F51-A54 PolarHBondContact O-N 3.01Å; F51-A54 VanDerWaalsContact O-N 3.1Å; F51-V55 HydrophobicContact CD2-CG2 4.44Å; F51-V55 HydrophobicContact CE2-CG2 4.26Å; F51-V55 HydrophobicContact CZ-CG2 4.42Å; F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.16Å; F51-A77 HydrophobicContact CD1-CB 4.11Å; F51-A77 VanDerWaalsContact CD1-O 3.26Å; F51-A77 WeakPolarHBondContact CD1-O 3.28Å; F51-A77 VanDerWaalsContact CE1-CA 3.46Å; F51-A77 HydrophobicContact CE1-CB 3.99Å; F51-A77 VanDerWaalsContact CE1-O 3.27Å; F51-A77 WeakPolarHBondContact CE1-O 3.3Å; F51-A80 HydrophobicContact CD1-CB 4.2Å; F51-A80 HydrophobicContact CE1-CB 3.43Å; F51-A80 VanDerWaalsContact CE1-CB 3.43Å; F51-A80 HydrophobicContact CZ-CB 4.15Å; F51-F332 HydrophobicContact CD2-CD2 4.04Å; F51-F332 HydrophobicContact CD2-CE2 4.27Å; F51-F332 AromaticContact CE2-CD2 3.52Å; F51-F332 HydrophobicContact CE2-CD2 3.52Å; F51-F332 AromaticContact CE2-CE2 3.35Å; F51-F332 HydrophobicContact CE2-CE2 3.35Å; F51-F332 HydrophobicContact CE2-CG 4.48Å; F51-F332 HydrophobicContact CE2-CZ 4.22Å; F51-F332 HydrophobicContact CZ-CD2 4.48Å; F51-F332 AromaticContact CZ-CE2 3.91Å; F51-F332 HydrophobicContact CZ-CE2 3.91Å; F51-C335 HydrophobicContact CB-CB 3.93Å; F51-C335 HydrophobicContact CD2-CB 3.51Å; F51-C335 HydrophobicContact CE2-CB 4.36Å; F51-C335 HydrophobicContact CG-CB 4.04Å; F51-I336 HydrophobicContact CE2-CG1 3.95Å; F51-I336 HydrophobicContact CZ-CG1 4.38Å; F51-I339 HydrophobicContact CB-CD1 4.06Å; F51-I339 HydrophobicContact CD1-CD1 3.58Å; F51-I339 HydrophobicContact CD2-CD1 4.26Å; F51-I339 HydrophobicContact CE1-CD1 4Å; F51-I339 HydrophobicContact CG-CD1 3.73Å
52V86.6Confident86.8Confident21 Ų2130.6 Ų30.613%0.12718%0.178CC..Hα-helixtrans-55.7-50.1177.2169.10000111.3C47 A54 V55 E56 M74 A77 T78C47-V52 WeakPolarHBondContact O-CG2 3.19Å; C47-V52 PolarHBondContact O-N 3.49Å; V52-A54 VanDerWaalsContact C-N 3.32Å; V52-A54 PolarHBondContact O-N 2.86Å; V52-V55 WeakPolarHBondContact O-CB 3.15Å; V52-V55 PolarHBondContact O-N 3.06Å; V52-V55 VanDerWaalsContact O-N 3.09Å; V52-E56 WeakPolarHBondContact O-CG 3.43Å; V52-E56 PolarHBondContact O-N 3.39Å; V52-M74 HydrophobicContact CG1-CE 3.62Å; V52-A77 HydrophobicContact CG2-CB 4.11Å; V52-T78 HydrophobicContact CG2-CG2 4.25Å
53P85.8Confident86.2Confident13 Ų1337.6 Ų37.68%0.08422%0.215CC..Hα-helixtrans-60.8-35.6175.1-2635.2000114.3D48 V55 E56 K57 K320D48-P53 WeakPolarHBondContact O-CD 3.49Å; P53-V55 VanDerWaalsContact C-N 3.31Å; P53-E56 PolarHBondContact O-N 3.28Å; P53-K57 WeakPolarHBondContact O-CG 3.26Å; P53-K57 PolarHBondContact O-N 2.83Å; P53-K57 VanDerWaalsContact O-N 3.15Å; P53-K320 HydrophobicContact CB-CG 4.27Å; P53-K320 VanDerWaalsContact CG-CE 3.41Å
54A88.8Confident85.1Confident0 Ų039.7 Ų39.70%023%0.225CC..Hα-helixtrans-65.1-39175.400000111.2Y50 F51 V52 K57 I58 T331 F332Y50-A54 VanDerWaalsContact O-CB 3.31Å; Y50-A54 WeakPolarHBondContact O-CB 3.23Å; Y50-A54 PolarHBondContact O-N 2.86Å; Y50-A54 VanDerWaalsContact O-N 3.14Å; F51-A54 WeakPolarHBondContact O-CB 3.44Å; F51-A54 PolarHBondContact O-N 3.01Å; F51-A54 VanDerWaalsContact O-N 3.1Å; V52-A54 VanDerWaalsContact C-N 3.32Å; V52-A54 PolarHBondContact O-N 2.86Å; A54-K57 PolarHBondContact O-N 3.22Å; A54-I58 WeakPolarHBondContact O-CG1 3.33Å; A54-I58 PolarHBondContact O-N 2.77Å; A54-I58 VanDerWaalsContact O-N 3.12Å; A54-T331 HydrophobicContact CB-CG2 4.16Å; A54-F332 HydrophobicContact CB-CB 4.26Å
55V87.6Confident84.2Confident2 Ų241 Ų411%0.01223%0.233CC..Hα-helixtrans-66.5-42.1175174.80000111.7F51 V52 P53 K57 I58 C59 F73 M74 A77 F332F51-V55 HydrophobicContact CD2-CG2 4.44Å; F51-V55 HydrophobicContact CE2-CG2 4.26Å; F51-V55 HydrophobicContact CZ-CG2 4.42Å; F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.16Å; V52-V55 WeakPolarHBondContact O-CB 3.15Å; V52-V55 PolarHBondContact O-N 3.06Å; V52-V55 VanDerWaalsContact O-N 3.09Å; P53-V55 VanDerWaalsContact C-N 3.31Å; V55-K57 VanDerWaalsContact C-N 3.3Å; V55-K57 PolarHBondContact O-N 3.28Å; V55-I58 WeakPolarHBondContact O-CA 3.45Å; V55-I58 WeakPolarHBondContact O-CB 3.32Å; V55-I58 PolarHBondContact O-N 2.91Å; V55-C59 PolarHBondContact O-N 2.85Å; V55-C59 PolarHBondContact O-SG 3.04Å; V55-C59 VanDerWaalsContact O-SG 3.35Å; V55-F73 HydrophobicContact CG1-CB 3.67Å; V55-M74 HydrophobicContact CB-SD 4.4Å; V55-M74 HydrophobicContact CG1-SD 3.85Å; V55-A77 HydrophobicContact CB-CB 4.12Å; V55-A77 HydrophobicContact CG1-CB 4.22Å; V55-A77 HydrophobicContact CG2-CB 3.83Å; V55-F332 HydrophobicContact CG2-CD2 3.85Å; V55-F332 HydrophobicContact CG2-CE2 3.61Å
56E85.3Confident83.1Confident74 Ų7444.4 Ų44.435%0.34625%0.251SS..Hα-helixtrans-56.8-43.2174.7-70.5174.5164.500112V52 P53 I58 C59 A60 M74V52-E56 WeakPolarHBondContact O-CG 3.43Å; V52-E56 PolarHBondContact O-N 3.39Å; P53-E56 PolarHBondContact O-N 3.28Å; E56-I58 VanDerWaalsContact C-N 3.33Å; E56-I58 PolarHBondContact O-N 3.36Å; E56-C59 PolarHBondContact O-N 3.5Å; E56-A60 WeakPolarHBondContact O-CB 2.87Å; E56-A60 PolarHBondContact O-N 3.29Å; E56-M74 HydrophobicContact CG-CE 3.57Å; E56-M74 HydrophobicContact CG-SD 3.69Å
57K85.3Confident81.7Confident62 Ų6247.6 Ų47.627%0.2727%0.268SS..Hα-helixtrans-65.3-35.1175.4-63.8-62.9177.5-167.20112.3P53 A54 V55 A61 F328P53-K57 WeakPolarHBondContact O-CG 3.26Å; P53-K57 PolarHBondContact O-N 2.83Å; P53-K57 VanDerWaalsContact O-N 3.15Å; A54-K57 PolarHBondContact O-N 3.22Å; V55-K57 VanDerWaalsContact C-N 3.3Å; V55-K57 PolarHBondContact O-N 3.28Å; K57-A61 VanDerWaalsContact O-CB 3.31Å; K57-A61 WeakPolarHBondContact O-CB 3.37Å; K57-A61 PolarHBondContact O-N 3.44Å; K57-F328 HydrophobicContact CB-CB 3.92Å; K57-F328 HydrophobicContact CB-CD1 4.35Å; K57-F328 HydrophobicContact CB-CG 4.02Å
58I86.5Confident80.5Confident26 Ų2649 Ų4913%0.13328%0.276CS..Hα-helixtrans-64.8-48.5173.9-68.4165.7000110.1A54 V55 E56 A60 A61 L62 F328 F332A54-I58 WeakPolarHBondContact O-CG1 3.33Å; A54-I58 PolarHBondContact O-N 2.77Å; A54-I58 VanDerWaalsContact O-N 3.12Å; V55-I58 WeakPolarHBondContact O-CA 3.45Å; V55-I58 WeakPolarHBondContact O-CB 3.32Å; V55-I58 PolarHBondContact O-N 2.91Å; E56-I58 VanDerWaalsContact C-N 3.33Å; E56-I58 PolarHBondContact O-N 3.36Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.4Å; I58-A61 PolarHBondContact O-N 3.08Å; I58-A61 VanDerWaalsContact O-N 3.15Å; I58-L62 HydrophobicContact CG2-CD1 3.77Å; I58-L62 HydrophobicContact CG2-CG 4.35Å; I58-L62 WeakPolarHBondContact O-CB 3.36Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.32Å; I58-F328 HydrophobicContact CD1-CD2 4.38Å; I58-F328 HydrophobicContact CG1-CD2 3.47Å; I58-F328 VanDerWaalsContact CG1-CD2 3.47Å; I58-F328 HydrophobicContact CG1-CE2 3.66Å; I58-F332 HydrophobicContact CD1-CB 3.96Å; I58-F332 HydrophobicContact CD1-CD1 4.12Å; I58-F332 HydrophobicContact CD1-CD2 3.53Å; I58-F332 HydrophobicContact CD1-CE2 4Å; I58-F332 HydrophobicContact CD1-CG 3.61Å; I58-F332 HydrophobicContact CD1-CZ 4.46Å
59C83.8Confident79.9Confident10 Ų1046.3 Ų46.37%0.06826%0.263CS..Hα-helixtrans-59.2-42.1177.9-65.80000111.8V55 E56 L62 N63 M64 A69 F73V55-C59 PolarHBondContact O-N 2.85Å; V55-C59 PolarHBondContact O-SG 3.04Å; V55-C59 VanDerWaalsContact O-SG 3.35Å; E56-C59 PolarHBondContact O-N 3.5Å; C59-L62 PolarHBondContact O-N 2.93Å; C59-N63 PolarHBondContact O-N 3.43Å; C59-M64 PolarHBondContact O-N 3.31Å; C59-A69 HydrophobicContact CB-CB 3.88Å; C59-F73 VanDerWaalsContact SG-CB 3.56Å
60A83.3Confident79Confident68 Ų6845 Ų4556%0.56226%0.263SS*.Hα-helixtrans-64.1-42.6174.800000112.2E56 I58 L62 N63E56-A60 WeakPolarHBondContact O-CB 2.87Å; E56-A60 PolarHBondContact O-N 3.29Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.4Å; A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 PolarHBondContact O-N 2.88Å; A60-N63 PolarHBondContact O-N 3.47Å
61A84.1Confident77.7Confident61 Ų6144.6 Ų44.650%0.50427%0.265SS..Hα-helixtrans-66.7-28.5177.600000113.1K57 I58 F328K57-A61 VanDerWaalsContact O-CB 3.31Å; K57-A61 WeakPolarHBondContact O-CB 3.37Å; K57-A61 PolarHBondContact O-N 3.44Å; I58-A61 PolarHBondContact O-N 3.08Å; I58-A61 VanDerWaalsContact O-N 3.15Å; A61-F328 HydrophobicContact CB-CZ 4Å
62L81.4Confident76.9Confident103 Ų10344.9 Ų44.954%0.53927%0.268SS..THydrogen-bonded Turntrans-86.90.3177.5-67.4175.3000113.8I58 C59 A60 M64I58-L62 HydrophobicContact CG2-CD1 3.77Å; I58-L62 HydrophobicContact CG2-CG 4.35Å; I58-L62 WeakPolarHBondContact O-CB 3.36Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.32Å; C59-L62 PolarHBondContact O-N 2.93Å; A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 PolarHBondContact O-N 2.88Å; L62-M64 HydrophobicContact CB-CG 3.95Å; L62-M64 HydrophobicContact CB-SD 4.37Å; L62-M64 HydrophobicContact CD1-SD 4.29Å; L62-M64 PolarHBondContact O-N 3.33Å
63N78.4Confident76.6Confident152 Ų15247.9 Ų47.981%0.81328%0.279SS*.THydrogen-bonded Turntrans50.439.2-174.8-71-44.5000113.2C59 A60C59-N63 PolarHBondContact O-N 3.43Å; A60-N63 PolarHBondContact O-N 3.47Å
64M69.6Low76.2Confident48 Ų4848.9 Ų48.924%0.23628%0.284CS..  trans-75.2141.6177.4-70.4-176.666.500110.8C59 L62 V68 A69 F73C59-M64 PolarHBondContact O-N 3.31Å; L62-M64 HydrophobicContact CB-CG 3.95Å; L62-M64 HydrophobicContact CB-SD 4.37Å; L62-M64 HydrophobicContact CD1-SD 4.29Å; L62-M64 PolarHBondContact O-N 3.33Å; M64-V68 HydrophobicContact CE-CB 4.14Å; M64-V68 HydrophobicContact CE-CG1 3.46Å; M64-V68 VanDerWaalsContact CE-CG1 3.46Å; M64-A69 HydrophobicContact CB-CB 4.33Å; M64-F73 HydrophobicContact CE-CD2 3.63Å; M64-F73 HydrophobicContact CE-CE2 3.73Å; M64-F73 HydrophobicContact SD-CD2 3.54Å; M64-F73 VanDerWaalsContact SD-CD2 3.54Å; M64-F73 HydrophobicContact SD-CE2 3.44Å; M64-F73 WeakPolarHBondContact SD-CE2 2.97Å
65S69.1Low75.7Confident49 Ų4949.1 Ų49.134%0.34329%0.285SS..  trans-62.7140.5169.255.40000110.3D67 V68 A69S65-D67 PolarHBondContact O-N 2.92Å; S65-D67 VanDerWaalsContact O-N 3.11Å; S65-V68 PolarHBondContact O-N 3.36Å; S65-V68 WeakPolarHBondContact OG-CG2 3.28Å; S65-A69 PolarHBondContact O-N 3.29Å
66N65.1Low75.4Confident85 Ų8550.5 Ų50.546%0.45530%0.297SS..Hα-helixtrans-49.9-38.9-178.7-67.3-38000113.2A69 G70 H270N66-A69 PolarHBondContact O-N 3.4Å; N66-G70 PolarHBondContact O-N 3.02Å; N66-H270 HydrophobicContact CB-CB 4.28Å; N66-H270 WeakPolarHBondContact ND2-CB 3.33Å
67D59.7Low75.4Confident67 Ų6747 Ų4736%0.35828%0.281SS..Hα-helixtrans-65-43.8-179.7-47.4-51.9000112.1S65 A71 K178S65-D67 PolarHBondContact O-N 2.92Å; S65-D67 VanDerWaalsContact O-N 3.11Å; D67-A71 VanDerWaalsContact O-CB 3.28Å; D67-A71 WeakPolarHBondContact O-CB 3.43Å; D67-A71 PolarHBondContact O-N 2.88Å; D67-K178 WeakPolarHBondContact OD2-CE 3.44Å; D67-K178 IonicContact OD2-NZ 3.26Å; D67-K178 PolarHBondContact OD2-NZ 2.97Å
68V64.1Low75.3Confident35 Ų3545.3 Ų45.321%0.21228%0.276CS..Hα-helixtrans-72.4-41.2179.4-177.10000110M64 S65 G70 A71 T72 Y175M64-V68 HydrophobicContact CE-CB 4.14Å; M64-V68 HydrophobicContact CE-CG1 3.46Å; M64-V68 VanDerWaalsContact CE-CG1 3.46Å; S65-V68 PolarHBondContact O-N 3.36Å; S65-V68 WeakPolarHBondContact OG-CG2 3.28Å; V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 PolarHBondContact O-N 3.47Å; V68-A71 PolarHBondContact O-N 3.37Å; V68-T72 HydrophobicContact CG1-CG2 4.33Å; V68-T72 WeakPolarHBondContact O-CB 3.42Å; V68-T72 PolarHBondContact O-N 3.36Å; V68-T72 PolarHBondContact O-OG1 3.3Å; V68-Y175 HydrophobicContact CG2-CD2 3.74Å; V68-Y175 HydrophobicContact CG2-CE2 4.34Å
69A69.8Low75.4Confident8 Ų844.1 Ų44.17%0.06627%0.269CS..Hα-helixtrans-59.4-45.9176.100000111.3C59 M64 S65 N66 T72 F73 M74C59-A69 HydrophobicContact CB-CB 3.88Å; M64-A69 HydrophobicContact CB-CB 4.33Å; S65-A69 PolarHBondContact O-N 3.29Å; N66-A69 PolarHBondContact O-N 3.4Å; A69-T72 PolarHBondContact O-N 3.28Å; A69-F73 PolarHBondContact O-N 3.34Å; A69-M74 WeakPolarHBondContact O-CB 3.34Å; A69-M74 VanDerWaalsContact O-CG 3.29Å; A69-M74 WeakPolarHBondContact O-CG 3.35Å; A69-M74 PolarHBondContact O-N 3.23Å
70G65.7Low75.8Confident25 Ų2543.8 Ų43.826%0.25827%0.268SS..Iπ-helixtrans-58-50.5174.800000112.8N66 V68 T72 A75N66-G70 PolarHBondContact O-N 3.02Å; V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 PolarHBondContact O-N 3.47Å; G70-T72 VanDerWaalsContact C-N 3.32Å; G70-T72 PolarHBondContact O-N 3.04Å; G70-A75 PolarHBondContact O-N 3.43Å
71A61.3Low76.2Confident16 Ų1640.8 Ų40.813%0.13224%0.242CC..Iπ-helixtrans-68.1-24.7-177.200000115.3D67 V68 Y167 M174D67-A71 VanDerWaalsContact O-CB 3.28Å; D67-A71 WeakPolarHBondContact O-CB 3.43Å; D67-A71 PolarHBondContact O-N 2.88Å; V68-A71 PolarHBondContact O-N 3.37Å; A71-Y167 PolarHBondContact O-OH 2.89Å; A71-M174 HydrophobicContact CB-CE 3.36Å; A71-M174 HydrophobicContact CB-SD 3.56Å; A71-M174 VanDerWaalsContact CB-SD 3.56Å
72T73.5Confident76.6Confident18 Ų1837.9 Ų37.911%0.1122%0.218CC..Iπ-helixtrans-114.5-83-170.254.70000111.9V68 A69 G70 M74 A76 L171V68-T72 HydrophobicContact CG1-CG2 4.33Å; V68-T72 WeakPolarHBondContact O-CB 3.42Å; V68-T72 PolarHBondContact O-N 3.36Å; V68-T72 PolarHBondContact O-OG1 3.3Å; A69-T72 PolarHBondContact O-N 3.28Å; G70-T72 VanDerWaalsContact C-N 3.32Å; G70-T72 PolarHBondContact O-N 3.04Å; T72-M74 PolarHBondContact O-N 3.36Å; T72-A76 VanDerWaalsContact O-CB 3.23Å; T72-A76 WeakPolarHBondContact O-CB 3.2Å; T72-A76 PolarHBondContact O-N 2.73Å; T72-L171 HydrophobicContact CG2-CD1 3.58Å; T72-L171 HydrophobicContact CG2-CD2 3.26Å; T72-L171 HydrophobicContact CG2-CG 3.99Å
73F79.9Confident77.2Confident83 Ų8335.5 Ų35.536%0.36421%0.206SC..Iπ-helixtrans-67.3-39.3-171.6-78.7-81.9000111.6V55 C59 M64 A69 A76 A77V55-F73 HydrophobicContact CG1-CB 3.67Å; C59-F73 VanDerWaalsContact SG-CB 3.56Å; M64-F73 HydrophobicContact CE-CD2 3.63Å; M64-F73 HydrophobicContact CE-CE2 3.73Å; M64-F73 HydrophobicContact SD-CD2 3.54Å; M64-F73 VanDerWaalsContact SD-CD2 3.54Å; M64-F73 HydrophobicContact SD-CE2 3.44Å; M64-F73 WeakPolarHBondContact SD-CE2 2.97Å; A69-F73 PolarHBondContact O-N 3.34Å; F73-A76 PolarHBondContact O-N 3.11Å; F73-A77 WeakPolarHBondContact O-CB 3.33Å; F73-A77 PolarHBondContact O-N 3.4Å
74M78.6Confident77.9Confident35 Ų3530.6 Ų30.617%0.17218%0.177CC..Iπ-helixtrans-71.5-44.1179.5-62.6-62.8-67.900111.6V52 V55 E56 A69 T72 A76 A77 T78V52-M74 HydrophobicContact CG1-CE 3.62Å; V55-M74 HydrophobicContact CB-SD 4.4Å; V55-M74 HydrophobicContact CG1-SD 3.85Å; E56-M74 HydrophobicContact CG-CE 3.57Å; E56-M74 HydrophobicContact CG-SD 3.69Å; A69-M74 WeakPolarHBondContact O-CB 3.34Å; A69-M74 VanDerWaalsContact O-CG 3.29Å; A69-M74 WeakPolarHBondContact O-CG 3.35Å; A69-M74 PolarHBondContact O-N 3.23Å; T72-M74 PolarHBondContact O-N 3.36Å; M74-A76 VanDerWaalsContact C-N 3.31Å; M74-A76 PolarHBondContact O-N 3.44Å; M74-A77 WeakPolarHBondContact O-CB 3.29Å; M74-A77 PolarHBondContact O-N 3.48Å; M74-T78 PolarHBondContact O-N 3.08Å; M74-T78 VanDerWaalsContact O-N 3.1Å
75A77Confident79.1Confident4 Ų428.4 Ų28.43%0.03317%0.167CC..Hα-helixtrans-60.2-40.6172.100000112G70 A77 T78 S79G70-A75 PolarHBondContact O-N 3.43Å; A75-A77 VanDerWaalsContact C-N 3.26Å; A75-A77 PolarHBondContact O-N 3.07Å; A75-T78 PolarHBondContact O-N 3.39Å; A75-T78 PolarHBondContact O-OG1 3.36Å; A75-S79 PolarHBondContact O-N 3.47Å; A75-S79 VanDerWaalsContact O-N 3.16Å; A75-S79 PolarHBondContact O-OG 2.96Å
76A82Confident80.2Confident31 Ų3126 Ų2626%0.25615%0.15SC..Hα-helixtrans-65.3-30.3173.500000112.9T72 F73 M74 A80 F403T72-A76 VanDerWaalsContact O-CB 3.23Å; T72-A76 WeakPolarHBondContact O-CB 3.2Å; T72-A76 PolarHBondContact O-N 2.73Å; F73-A76 PolarHBondContact O-N 3.11Å; M74-A76 VanDerWaalsContact C-N 3.31Å; M74-A76 PolarHBondContact O-N 3.44Å; A76-A80 PolarHBondContact O-N 3.5Å; A76-F403 VanDerWaalsContact CA-CZ 3.42Å; A76-F403 HydrophobicContact CB-CD2 4.34Å; A76-F403 HydrophobicContact CB-CE1 4.12Å; A76-F403 HydrophobicContact CB-CE2 3.47Å; A76-F403 VanDerWaalsContact CB-CE2 3.47Å; A76-F403 HydrophobicContact CB-CZ 3.36Å
77A85.8Confident81.6Confident1 Ų124.4 Ų24.41%0.00814%0.143CC..Hα-helixtrans-70.5-45179.500000111.5F51 V52 V55 F73 M74 A75F51-A77 HydrophobicContact CD1-CB 4.11Å; F51-A77 VanDerWaalsContact CD1-O 3.26Å; F51-A77 WeakPolarHBondContact CD1-O 3.28Å; F51-A77 VanDerWaalsContact CE1-CA 3.46Å; F51-A77 HydrophobicContact CE1-CB 3.99Å; F51-A77 VanDerWaalsContact CE1-O 3.27Å; F51-A77 WeakPolarHBondContact CE1-O 3.3Å; V52-A77 HydrophobicContact CG2-CB 4.11Å; V55-A77 HydrophobicContact CB-CB 4.12Å; V55-A77 HydrophobicContact CG1-CB 4.22Å; V55-A77 HydrophobicContact CG2-CB 3.83Å; F73-A77 WeakPolarHBondContact O-CB 3.33Å; F73-A77 PolarHBondContact O-N 3.4Å; M74-A77 WeakPolarHBondContact O-CB 3.29Å; M74-A77 PolarHBondContact O-N 3.48Å; A75-A77 VanDerWaalsContact C-N 3.26Å; A75-A77 PolarHBondContact O-N 3.07Å
78T83Confident83.2Confident27 Ų2721.8 Ų21.817%0.16613%0.129CC..Hα-helixtrans-71.1-34.4-179.365.30000111.9V52 M74 A75 A80 P81 E377V52-T78 HydrophobicContact CG2-CG2 4.25Å; M74-T78 PolarHBondContact O-N 3.08Å; M74-T78 VanDerWaalsContact O-N 3.1Å; A75-T78 PolarHBondContact O-N 3.39Å; A75-T78 PolarHBondContact O-OG1 3.36Å; T78-A80 PolarHBondContact O-N 2.85Å; T78-P81 WeakPolarHBondContact O-CD 3.35Å; T78-E377 WeakPolarHBondContact CB-OE1 3.38Å; T78-E377 PolarHBondContact OG1-OE1 3.1Å
79S89.2Confident84.5Confident0 Ų020.1 Ų20.10%012%0.119CC..THydrogen-bonded Turntrans-93.414.4-178.2-21.70000114.3A75 E82 L83 S400 D404A75-S79 PolarHBondContact O-N 3.47Å; A75-S79 VanDerWaalsContact O-N 3.16Å; A75-S79 PolarHBondContact O-OG 2.96Å; S79-E82 VanDerWaalsContact CA-OE2 3.3Å; S79-E82 WeakPolarHBondContact CA-OE2 3.47Å; S79-E82 WeakPolarHBondContact O-CB 3.2Å; S79-E82 PolarHBondContact O-N 2.99Å; S79-L83 PolarHBondContact O-N 3.33Å; S79-S400 WeakPolarHBondContact OG-CB 3.45Å; S79-D404 WeakPolarHBondContact CB-OD1 3.3Å
80A90.8Very high85.5Confident4 Ų420.1 Ų20.13%0.03312%0.118CC..Hα-helixtrans-64-40.417800000113.9F51 A76 T78 E82 L83 F84 I339F51-A80 HydrophobicContact CD1-CB 4.2Å; F51-A80 HydrophobicContact CE1-CB 3.43Å; F51-A80 VanDerWaalsContact CE1-CB 3.43Å; F51-A80 HydrophobicContact CZ-CB 4.15Å; A76-A80 PolarHBondContact O-N 3.5Å; T78-A80 PolarHBondContact O-N 2.85Å; A80-E82 VanDerWaalsContact C-N 3.28Å; A80-E82 PolarHBondContact O-N 3.41Å; A80-L83 WeakPolarHBondContact O-CB 3.42Å; A80-L83 PolarHBondContact O-N 2.95Å; A80-F84 WeakPolarHBondContact O-CD2 3.47Å; A80-F84 PolarHBondContact O-N 3.37Å; A80-I339 HydrophobicContact CB-CD1 4.31Å; A80-I339 HydrophobicContact CB-CG2 4.41Å
81P92.3Very high86.7Confident5 Ų522.1 Ų22.13%0.03212%0.12CC..Hα-helixtrans-54.8-44.2173.5-26.236.5000112.5C47 T78 F84 V85 I339 T373C47-P81 WeakPolarHBondContact SG-CG 3.4Å; T78-P81 WeakPolarHBondContact O-CD 3.35Å; P81-F84 PolarHBondContact O-N 3.34Å; P81-V85 WeakPolarHBondContact O-CG2 3.4Å; P81-V85 PolarHBondContact O-N 2.97Å; P81-I339 HydrophobicContact CG-CG2 4.25Å; P81-T373 HydrophobicContact CB-CG2 3.91Å
82E92.6Very high88Confident0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-61-47.3177.1-72.178.1-17400111.5S79 A80 F84 V85 N86 I102 T373 S374S79-E82 VanDerWaalsContact CA-OE2 3.3Å; S79-E82 WeakPolarHBondContact CA-OE2 3.47Å; S79-E82 WeakPolarHBondContact O-CB 3.2Å; S79-E82 PolarHBondContact O-N 2.99Å; A80-E82 VanDerWaalsContact C-N 3.28Å; A80-E82 PolarHBondContact O-N 3.41Å; E82-F84 VanDerWaalsContact C-N 3.32Å; E82-F84 PolarHBondContact O-N 3.14Å; E82-V85 PolarHBondContact O-N 3.36Å; E82-N86 PolarHBondContact O-N 3.4Å; E82-I102 HydrophobicContact CB-CD1 3.86Å; E82-T373 WeakPolarHBondContact OE1-CB 3.4Å; E82-T373 PolarHBondContact OE1-OG1 2.91Å; E82-S374 PolarHBondContact OE1-OG 3.45Å; E82-S374 VanDerWaalsContact OE1-OG 3.06Å
83L93.2Very high88.5Confident52 Ų5223.9 Ų23.927%0.27213%0.126SC..Hα-helixtrans-54.8-48.8174.4176.463.8000111.2S79 A80 N86 V87 C408 P412S79-L83 PolarHBondContact O-N 3.33Å; A80-L83 WeakPolarHBondContact O-CB 3.42Å; A80-L83 PolarHBondContact O-N 2.95Å; L83-N86 PolarHBondContact O-N 3.29Å; L83-V87 HydrophobicContact CD1-CG2 4.5Å; L83-V87 VanDerWaalsContact O-CG2 3.3Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.03Å; L83-C408 HydrophobicContact CB-CB 4.36Å; L83-C408 HydrophobicContact CD1-CB 4.2Å; L83-P412 HydrophobicContact CD1-CG 4.48Å
84F94.6Very high88.6Confident49 Ų4925.3 Ų25.322%0.21513%0.134CC..Hα-helixtrans-67.2-42.3-179.2-81.8-69.2000112.5A80 P81 E82 N86 V87 I88 I336 I339 G340A80-F84 WeakPolarHBondContact O-CD2 3.47Å; A80-F84 PolarHBondContact O-N 3.37Å; P81-F84 PolarHBondContact O-N 3.34Å; E82-F84 VanDerWaalsContact C-N 3.32Å; E82-F84 PolarHBondContact O-N 3.14Å; F84-N86 VanDerWaalsContact C-N 3.25Å; F84-N86 PolarHBondContact O-N 3.02Å; F84-V87 WeakPolarHBondContact O-CB 3.27Å; F84-V87 PolarHBondContact O-N 2.75Å; F84-I88 VanDerWaalsContact O-CD1 3.26Å; F84-I88 WeakPolarHBondContact O-CD1 3.48Å; F84-I88 VanDerWaalsContact O-CG1 3.25Å; F84-I88 WeakPolarHBondContact O-CG1 3.47Å; F84-I88 PolarHBondContact O-N 3Å; F84-I336 HydrophobicContact CE2-CG2 4.46Å; F84-I336 HydrophobicContact CZ-CG2 3.75Å; F84-I336 WeakPolarHBondContact CZ-O 2.78Å; F84-I339 HydrophobicContact CD2-CB 4.18Å; F84-I339 HydrophobicContact CD2-CG2 3.53Å; F84-I339 HydrophobicContact CE2-CB 4.15Å; F84-I339 HydrophobicContact CE2-CG2 3.94Å; F84-I339 HydrophobicContact CG-CG2 4.5Å; F84-G340 VanDerWaalsContact CD1-CA 3.47Å
85V93.1Very high88.8Confident2 Ų224.4 Ų24.41%0.01213%0.134CC..Hα-helixtrans-58.2-41.7174.3166.70000110.5P81 E82 I88 G89 T101 L369 T373P81-V85 WeakPolarHBondContact O-CG2 3.4Å; P81-V85 PolarHBondContact O-N 2.97Å; E82-V85 PolarHBondContact O-N 3.36Å; V85-I88 PolarHBondContact O-N 2.93Å; V85-G89 PolarHBondContact O-N 3.43Å; V85-T101 HydrophobicContact CG1-CG2 3.87Å; V85-T101 WeakPolarHBondContact CG1-OG1 3.29Å; V85-L369 HydrophobicContact CG1-CD2 3.41Å; V85-L369 VanDerWaalsContact CG1-CD2 3.41Å; V85-L369 HydrophobicContact CG1-CG 3.91Å; V85-L369 HydrophobicContact CG2-CD1 4.1Å; V85-L369 HydrophobicContact CG2-CD2 4.29Å; V85-L369 HydrophobicContact CG2-CG 4.27Å; V85-T373 HydrophobicContact CG2-CG2 4.35Å
86N93.7Very high89.3Confident0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-70.2-36.4177.7-169.956.3000113.3E82 L83 F84 I88 G89 T90 G98 I102 C408 L409 P412E82-N86 PolarHBondContact O-N 3.4Å; L83-N86 PolarHBondContact O-N 3.29Å; F84-N86 VanDerWaalsContact C-N 3.25Å; F84-N86 PolarHBondContact O-N 3.02Å; N86-I88 VanDerWaalsContact C-N 3.33Å; N86-G89 PolarHBondContact O-N 2.85Å; N86-T90 VanDerWaalsContact O-CB 3.27Å; N86-T90 WeakPolarHBondContact O-CB 3.32Å; N86-T90 PolarHBondContact O-N 3.01Å; N86-T90 PolarHBondContact O-OG1 3.44Å; N86-G98 VanDerWaalsContact OD1-C 3.29Å; N86-G98 WeakPolarHBondContact OD1-CA 3.32Å; N86-I102 HydrophobicContact CB-CG1 4.36Å; N86-C408 PolarHBondContact ND2-O 2.95Å; N86-L409 WeakPolarHBondContact ND2-CA 3.45Å; N86-L409 WeakPolarHBondContact OD1-CD2 3.21Å; N86-P412 WeakPolarHBondContact ND2-CG 3.18Å
87V94.6Very high89.6Confident51 Ų5123.5 Ų23.531%0.30912%0.124SC..Hα-helixtrans-58.6-46.9170.81690000110.3L83 F84 T90 F91 P412L83-V87 HydrophobicContact CD1-CG2 4.5Å; L83-V87 VanDerWaalsContact O-CG2 3.3Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.03Å; F84-V87 WeakPolarHBondContact O-CB 3.27Å; F84-V87 PolarHBondContact O-N 2.75Å; V87-T90 PolarHBondContact O-N 3.35Å; V87-F91 HydrophobicContact CG1-CD2 3.94Å; V87-F91 WeakPolarHBondContact O-CB 3.22Å; V87-F91 WeakPolarHBondContact O-CD2 3.38Å; V87-F91 PolarHBondContact O-N 3.02Å; V87-P412 HydrophobicContact CG2-CB 4.31Å; V87-P412 HydrophobicContact CG2-CG 3.64Å
88I92.7Very high89.9Confident11 Ų1123.4 Ų23.46%0.05612%0.123CC..Hα-helixtrans-62.2-45.7177.3-67.1153.3000110.5F14 F84 V85 N86 T90 I92 T93 S343 Y344 A347F14-I88 HydrophobicContact CE1-CG2 4.42Å; F14-I88 HydrophobicContact CZ-CG2 4.13Å; F84-I88 VanDerWaalsContact O-CD1 3.26Å; F84-I88 WeakPolarHBondContact O-CD1 3.48Å; F84-I88 VanDerWaalsContact O-CG1 3.25Å; F84-I88 WeakPolarHBondContact O-CG1 3.47Å; F84-I88 PolarHBondContact O-N 3Å; V85-I88 PolarHBondContact O-N 2.93Å; N86-I88 VanDerWaalsContact C-N 3.33Å; I88-T90 VanDerWaalsContact C-N 3.31Å; I88-T90 PolarHBondContact O-N 3.13Å; I88-I92 HydrophobicContact CG1-CD1 4.31Å; I88-I92 HydrophobicContact CG2-CB 4.34Å; I88-I92 HydrophobicContact CG2-CD1 4.2Å; I88-I92 WeakPolarHBondContact O-CA 3.16Å; I88-I92 VanDerWaalsContact O-CB 3.31Å; I88-I92 WeakPolarHBondContact O-CB 2.77Å; I88-I92 PolarHBondContact O-N 3.49Å; I88-T93 PolarHBondContact O-N 3.04Å; I88-S343 VanDerWaalsContact CD1-C 3.5Å; I88-Y344 VanDerWaalsContact CD1-CA 3.43Å; I88-Y344 VanDerWaalsContact CD1-N 3.32Å; I88-Y344 HydrophobicContact CG1-CD2 4.47Å; I88-Y344 HydrophobicContact CG2-CD2 4.5Å; I88-A347 HydrophobicContact CG2-CB 3.94Å
89G90.8Very high90.3Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-55.6-46176.900000112.8V85 N86 T93 E94 G95V85-G89 PolarHBondContact O-N 3.43Å; N86-G89 PolarHBondContact O-N 2.85Å; G89-T93 VanDerWaalsContact CA-OG1 3.26Å; G89-T93 WeakPolarHBondContact CA-OG1 3.23Å; G89-T93 PolarHBondContact O-OG1 3.34Å; G89-E94 PolarHBondContact O-N 2.86Å; G89-E94 VanDerWaalsContact O-N 3.13Å; G89-G95 PolarHBondContact O-N 3.45Å; G89-G95 VanDerWaalsContact O-N 3.17Å
90T91Very high90.4Very high8 Ų822.4 Ų22.45%0.04912%0.117CC..Hα-helixtrans-76.2-44.7-175-59.10000112.5N86 V87 I88 P412 K416N86-T90 VanDerWaalsContact O-CB 3.27Å; N86-T90 WeakPolarHBondContact O-CB 3.32Å; N86-T90 PolarHBondContact O-N 3.01Å; N86-T90 PolarHBondContact O-OG1 3.44Å; V87-T90 PolarHBondContact O-N 3.35Å; I88-T90 VanDerWaalsContact C-N 3.31Å; I88-T90 PolarHBondContact O-N 3.13Å; T90-P412 HydrophobicContact CG2-CB 4.09Å; T90-K416 HydrophobicContact CG2-CB 3.86Å; T90-K416 HydrophobicContact CG2-CD 3.53Å; T90-K416 HydrophobicContact CG2-CG 4.31Å; T90-K416 VanDerWaalsContact O-CD 3.27Å; T90-K416 WeakPolarHBondContact O-CD 3.34Å; T90-K416 WeakPolarHBondContact O-CE 3.48Å; T90-K416 PolarHBondContact O-NZ 2.85Å
91F90.7Very high90.5Very high68 Ų6822.2 Ų22.230%0.29812%0.116SC..Hα-helixtrans-97.4-26.2-171.5-73.5-80.2000115.3V87 P412 I415 K416 F420V87-F91 HydrophobicContact CG1-CD2 3.94Å; V87-F91 WeakPolarHBondContact O-CB 3.22Å; V87-F91 WeakPolarHBondContact O-CD2 3.38Å; V87-F91 PolarHBondContact O-N 3.02Å; F91-P412 HydrophobicContact CE2-CB 4.08Å; F91-I415 HydrophobicContact CE1-CG2 4.16Å; F91-I415 HydrophobicContact CZ-CB 3.84Å; F91-I415 HydrophobicContact CZ-CG2 3.55Å; F91-K416 HydrophobicContact CE1-CB 3.91Å; F91-K416 HydrophobicContact CE1-CG 4.43Å; F91-K416 HydrophobicContact CZ-CB 3.95Å; F91-F420 AromaticContact CE1-CD2 3.77Å; F91-F420 HydrophobicContact CE1-CD2 3.77Å; F91-F420 HydrophobicContact CE1-CE2 4.07Å
92I89.1Confident90.6Very high62 Ų6222 Ų2232%0.31811%0.114SC..THydrogen-bonded Turntrans-104.7-60.4-173.1-55.6-175.1000110.1I88 E94 Y344I88-I92 HydrophobicContact CG1-CD1 4.31Å; I88-I92 HydrophobicContact CG2-CB 4.34Å; I88-I92 HydrophobicContact CG2-CD1 4.2Å; I88-I92 WeakPolarHBondContact O-CA 3.16Å; I88-I92 VanDerWaalsContact O-CB 3.31Å; I88-I92 WeakPolarHBondContact O-CB 2.77Å; I88-I92 PolarHBondContact O-N 3.49Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-Y344 HydrophobicContact CD1-CD2 3.76Å; I92-Y344 HydrophobicContact CD1-CE2 3.67Å; I92-Y344 HydrophobicContact CG2-CE2 4.48Å
93T84.6Confident90.5Very high8 Ų822.1 Ų22.15%0.04912%0.115CC..SBendtrans-82.8-12-175.7540000113.6A10 D13 F14 I88 G89 G95 I97A10-T93 HydrophobicContact CB-CG2 4.11Å; D13-T93 WeakPolarHBondContact OD2-CA 3.39Å; F14-T93 HydrophobicContact CD2-CG2 4.18Å; F14-T93 HydrophobicContact CE2-CG2 3.28Å; F14-T93 HydrophobicContact CZ-CG2 3.58Å; I88-T93 PolarHBondContact O-N 3.04Å; G89-T93 VanDerWaalsContact CA-OG1 3.26Å; G89-T93 WeakPolarHBondContact CA-OG1 3.23Å; G89-T93 PolarHBondContact O-OG1 3.34Å; T93-G95 PolarHBondContact O-N 3.11Å; T93-I97 WeakPolarHBondContact OG1-CG2 2.83Å
94E82.3Confident90.5Very high113 Ų11319.7 Ų19.753%0.52810%0.102SC..  trans43.933.7-173-50-152.6122.800113.7G89 I92 K416 N432G89-E94 PolarHBondContact O-N 2.86Å; G89-E94 VanDerWaalsContact O-N 3.13Å; I92-E94 VanDerWaalsContact C-N 3.32Å; E94-K416 VanDerWaalsContact CD-NZ 3.34Å; E94-K416 WeakPolarHBondContact OE1-CE 3.21Å; E94-K416 IonicContact OE1-NZ 2.66Å; E94-K416 PolarHBondContact OE1-NZ 2.82Å; E94-N432 PolarHBondContact O-ND2 2.91Å
95G80.9Confident90.5Very high17 Ų1717.3 Ų17.318%0.1759%0.092CC..SBendtrans-129.5170.3-161.900000111.1G89 T93 I97G89-G95 PolarHBondContact O-N 3.45Å; G89-G95 VanDerWaalsContact O-N 3.17Å; T93-G95 PolarHBondContact O-N 3.11Å; G95-I97 PolarHBondContact O-N 2.91Å
96D87.6Confident90.5Very high13 Ų1317.2 Ų17.27%0.079%0.092CC..THydrogen-bonded Turntrans-80.52.3-171.3-69.6-13.5000114G98 V99 G100 N432 S433 L436D96-G98 VanDerWaalsContact C-N 3.28Å; D96-G98 PolarHBondContact O-N 2.86Å; D96-V99 PolarHBondContact O-N 3Å; D96-G100 PolarHBondContact O-N 3.1Å; D96-N432 PolarHBondContact OD1-N 3.34Å; D96-N432 VanDerWaalsContact OD2-C 3.25Å; D96-N432 WeakPolarHBondContact OD2-CA 3.04Å; D96-N432 VanDerWaalsContact OD2-CB 3.31Å; D96-N432 WeakPolarHBondContact OD2-CB 3.24Å; D96-N432 PolarHBondContact OD2-N 3.11Å; D96-S433 WeakPolarHBondContact OD2-CA 3.49Å; D96-S433 WeakPolarHBondContact OD2-CB 3.33Å; D96-S433 PolarHBondContact OD2-N 3.34Å; D96-L436 HydrophobicContact CB-CD1 3.82Å
97I89.8Confident90.4Very high2 Ų217.2 Ų17.21%0.019%0.092CC..Hα-helixtrans-59.1-38.7179.8-167.5170.8000112T93 G95 T101 D361 L369T93-I97 WeakPolarHBondContact OG1-CG2 2.83Å; G95-I97 PolarHBondContact O-N 2.91Å; I97-T101 WeakPolarHBondContact O-CB 3.34Å; I97-T101 PolarHBondContact O-N 3.07Å; I97-T101 PolarHBondContact O-OG1 3.3Å; I97-D361 HydrophobicContact CB-CB 4.43Å; I97-L369 HydrophobicContact CD1-CD2 3.95Å; I97-L369 HydrophobicContact CG1-CD2 3.83Å
98G90.9Very high90.4Very high0 Ų015.7 Ų15.70%08%0.081CC..Hα-helixtrans-67.4-52.4179.500000111.9N86 D96 G100 T101 I102N86-G98 VanDerWaalsContact OD1-C 3.29Å; N86-G98 WeakPolarHBondContact OD1-CA 3.32Å; D96-G98 VanDerWaalsContact C-N 3.28Å; D96-G98 PolarHBondContact O-N 2.86Å; G98-G100 PolarHBondContact O-N 2.77Å; G98-T101 WeakPolarHBondContact O-CB 3.3Å; G98-T101 PolarHBondContact O-N 3.35Å; G98-I102 PolarHBondContact O-N 3.02Å; G98-I102 VanDerWaalsContact O-N 3.14Å
99V91.2Very high90.4Very high6 Ų615.3 Ų15.34%0.0368%0.079CC..Hα-helixtrans-62.4-44.2178.8-1710000111.3D96 T101 I102 V103 M150 L409 W413 L436D96-V99 PolarHBondContact O-N 3Å; V99-T101 VanDerWaalsContact C-N 3.3Å; V99-T101 PolarHBondContact O-N 2.76Å; V99-I102 PolarHBondContact O-N 3.34Å; V99-V103 WeakPolarHBondContact O-CG2 3.29Å; V99-V103 PolarHBondContact O-N 3.49Å; V99-M150 HydrophobicContact CG1-CE 3.79Å; V99-M150 HydrophobicContact CG1-SD 4.48Å; V99-L409 HydrophobicContact CB-CD2 4.44Å; V99-L409 HydrophobicContact CG1-CD2 4.47Å; V99-L409 HydrophobicContact CG2-CD2 4.23Å; V99-W413 HydrophobicContact CG1-CZ2 4.32Å; V99-W413 HydrophobicContact CG2-CZ2 3.59Å; V99-L436 HydrophobicContact CB-CD1 3.93Å; V99-L436 HydrophobicContact CG1-CD1 3.88Å
100G91.5Very high90.4Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-58.7-40.7175.500000112.4D96 G98 V103 G104 I366D96-G100 PolarHBondContact O-N 3.1Å; G98-G100 PolarHBondContact O-N 2.77Å; G100-V103 PolarHBondContact O-N 3.05Å; G100-G104 PolarHBondContact O-N 2.87Å; G100-I366 VanDerWaalsContact O-CA 3.25Å; G100-I366 WeakPolarHBondContact O-CA 3.39Å; G100-I366 WeakPolarHBondContact O-CG1 3.03Å; G100-I366 PolarHBondContact O-N 3.5Å
101T93.9Very high90.6Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-61.6-47.6175.7-56.50000111.4V85 I97 G98 V99 V103 G104 S105 G365 L369V85-T101 HydrophobicContact CG1-CG2 3.87Å; V85-T101 WeakPolarHBondContact CG1-OG1 3.29Å; I97-T101 WeakPolarHBondContact O-CB 3.34Å; I97-T101 PolarHBondContact O-N 3.07Å; I97-T101 PolarHBondContact O-OG1 3.3Å; G98-T101 WeakPolarHBondContact O-CB 3.3Å; G98-T101 PolarHBondContact O-N 3.35Å; V99-T101 VanDerWaalsContact C-N 3.3Å; V99-T101 PolarHBondContact O-N 2.76Å; T101-V103 PolarHBondContact O-N 2.74Å; T101-G104 PolarHBondContact O-N 2.97Å; T101-S105 VanDerWaalsContact O-CB 3.29Å; T101-S105 WeakPolarHBondContact O-CB 3.5Å; T101-S105 PolarHBondContact O-N 2.67Å; T101-S105 PolarHBondContact O-OG 3.22Å; T101-G365 WeakPolarHBondContact CA-O 3.41Å; T101-L369 HydrophobicContact CG2-CB 4.31Å; T101-L369 HydrophobicContact CG2-CG 3.95Å; T101-L369 WeakPolarHBondContact OG1-CD2 3.48Å; T101-L369 WeakPolarHBondContact OG1-CG 3.47Å
102I93.1Very high90.7Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-62.4-45-179.9-61.3-62.7000111.8E82 N86 G98 V99 A106 D404 I405 C408 L409E82-I102 HydrophobicContact CB-CD1 3.86Å; N86-I102 HydrophobicContact CB-CG1 4.36Å; G98-I102 PolarHBondContact O-N 3.02Å; G98-I102 VanDerWaalsContact O-N 3.14Å; V99-I102 PolarHBondContact O-N 3.34Å; I102-A106 WeakPolarHBondContact O-CB 3.48Å; I102-A106 PolarHBondContact O-N 2.95Å; I102-D404 HydrophobicContact CD1-CB 4.14Å; I102-D404 HydrophobicContact CG2-CB 3.97Å; I102-I405 HydrophobicContact CG2-CG1 4.18Å; I102-C408 HydrophobicContact CD1-CB 3.8Å; I102-L409 HydrophobicContact CB-CD1 4.21Å; I102-L409 HydrophobicContact CB-CD2 4.02Å; I102-L409 HydrophobicContact CB-CG 4.09Å; I102-L409 HydrophobicContact CG1-CD2 3.64Å; I102-L409 HydrophobicContact CG1-CG 3.9Å; I102-L409 HydrophobicContact CG2-CD1 3.8Å; I102-L409 HydrophobicContact CG2-CD2 4.4Å; I102-L409 HydrophobicContact CG2-CG 3.9Å
103V92.3Very high90.8Very high2 Ų29 Ų91%0.0125%0.049CC..Hα-helixtrans-63.8-43.5177.6175.40000111V99 G100 T101 A106 V107 L443V99-V103 WeakPolarHBondContact O-CG2 3.29Å; V99-V103 PolarHBondContact O-N 3.49Å; G100-V103 PolarHBondContact O-N 3.05Å; T101-V103 PolarHBondContact O-N 2.74Å; V103-A106 PolarHBondContact O-N 3.49Å; V103-V107 PolarHBondContact O-N 3.22Å; V103-L443 HydrophobicContact CG1-CD2 4.48Å
104G93.1Very high91.1Very high1 Ų18.7 Ų8.71%0.015%0.047CC..Hα-helixtrans-65.1-45.6177.800000113.2G100 T101 A106 V107 F108 I366 A370G100-G104 PolarHBondContact O-N 2.87Å; T101-G104 PolarHBondContact O-N 2.97Å; G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 2.75Å; G104-V107 PolarHBondContact O-N 3.39Å; G104-F108 WeakPolarHBondContact O-CB 3.25Å; G104-F108 PolarHBondContact O-N 3.41Å; G104-I366 WeakPolarHBondContact CA-O 3.2Å; G104-A370 VanDerWaalsContact C-CB 3.43Å
105S92.9Very high91.7Very high0 Ų03.4 Ų3.40%02%0.023CC..Hα-helixtrans-61.1-38.8177.8-74.30000110.3T101 V107 F108 N109 A370 T373 S374T101-S105 VanDerWaalsContact O-CB 3.29Å; T101-S105 WeakPolarHBondContact O-CB 3.5Å; T101-S105 PolarHBondContact O-N 2.67Å; T101-S105 PolarHBondContact O-OG 3.22Å; S105-V107 PolarHBondContact O-N 2.61Å; S105-F108 WeakPolarHBondContact O-CB 3.47Å; S105-F108 PolarHBondContact O-N 3.39Å; S105-N109 VanDerWaalsContact O-CB 3.28Å; S105-N109 WeakPolarHBondContact O-CB 3.29Å; S105-N109 PolarHBondContact O-N 2.89Å; S105-A370 VanDerWaalsContact N-CB 3.28Å; S105-A370 WeakPolarHBondContact OG-CA 3.4Å; S105-A370 PolarHBondContact OG-O 2.87Å; S105-T373 PolarHBondContact OG-OG1 3.25Å; S105-S374 VanDerWaalsContact CB-OG 3.25Å; S105-S374 WeakPolarHBondContact CB-OG 3.29Å; S105-S374 PolarHBondContact OG-OG 2.76Å
106A93.1Very high92.2Very high0 Ų05.2 Ų5.20%03%0.032CC..Hα-helixtrans-62.4-43.7176.700000112.9I102 V103 G104 N109 I110 Y139 N401 L443I102-A106 WeakPolarHBondContact O-CB 3.48Å; I102-A106 PolarHBondContact O-N 2.95Å; V103-A106 PolarHBondContact O-N 3.49Å; G104-A106 VanDerWaalsContact C-N 3.25Å; G104-A106 PolarHBondContact O-N 2.75Å; A106-N109 PolarHBondContact O-N 2.99Å; A106-I110 WeakPolarHBondContact O-CB 3.09Å; A106-I110 WeakPolarHBondContact O-CD1 3.43Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.38Å; A106-I110 PolarHBondContact O-N 3.48Å; A106-Y139 VanDerWaalsContact CB-OH 3.32Å; A106-Y139 WeakPolarHBondContact CB-OH 3.37Å; A106-N401 WeakPolarHBondContact CA-ND2 3.46Å; A106-N401 HydrophobicContact CB-CB 4.32Å; A106-N401 PolarHBondContact O-ND2 3.38Å; A106-L443 HydrophobicContact CB-CD1 3.91Å; A106-L443 HydrophobicContact CB-CD2 4.28Å
107V93.3Very high92.3Very high0 Ų04.6 Ų4.60%03%0.029CC..Hα-helixtrans-66.9-40.3174.9-176.70000111.7V103 G104 S105 N109 I110 L111 L443 Y473 F476V103-V107 PolarHBondContact O-N 3.22Å; G104-V107 PolarHBondContact O-N 3.39Å; S105-V107 PolarHBondContact O-N 2.61Å; V107-N109 VanDerWaalsContact C-N 3.31Å; V107-N109 PolarHBondContact O-N 2.95Å; V107-I110 PolarHBondContact O-N 3.39Å; V107-L111 HydrophobicContact CG1-CD1 3.75Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 PolarHBondContact O-N 3.17Å; V107-L443 HydrophobicContact CB-CD1 4.43Å; V107-L443 HydrophobicContact CG2-CD1 3.33Å; V107-Y473 HydrophobicContact CG1-CD2 4Å; V107-Y473 HydrophobicContact CG1-CE2 4.38Å; V107-F476 HydrophobicContact CB-CD1 4.11Å; V107-F476 HydrophobicContact CB-CE1 3.96Å; V107-F476 HydrophobicContact CB-CZ 4.39Å; V107-F476 HydrophobicContact CG1-CB 4.39Å; V107-F476 HydrophobicContact CG1-CD1 3.57Å; V107-F476 HydrophobicContact CG1-CD2 4.43Å; V107-F476 HydrophobicContact CG1-CE1 3.95Å; V107-F476 HydrophobicContact CG1-CG 3.86Å; V107-F476 HydrophobicContact CG2-CD1 3.97Å; V107-F476 HydrophobicContact CG2-CD2 4.29Å; V107-F476 HydrophobicContact CG2-CE1 3.51Å; V107-F476 HydrophobicContact CG2-CE2 3.82Å; V107-F476 HydrophobicContact CG2-CG 4.36Å; V107-F476 HydrophobicContact CG2-CZ 3.45Å; V107-F476 VanDerWaalsContact CG2-CZ 3.45Å
108F93.8Very high92.3Very high19 Ų194.5 Ų4.58%0.0833%0.029CC..Iπ-helixtrans-58.2-46.7175.3-170.2-85.8000110.7G104 S105 I110 A112 V113 A371 S374 V375 A378 Y473G104-F108 WeakPolarHBondContact O-CB 3.25Å; G104-F108 PolarHBondContact O-N 3.41Å; S105-F108 WeakPolarHBondContact O-CB 3.47Å; S105-F108 PolarHBondContact O-N 3.39Å; F108-I110 PolarHBondContact O-N 3.05Å; F108-A112 HydrophobicContact CD1-CB 4.19Å; F108-A112 HydrophobicContact CD2-CB 3.71Å; F108-A112 HydrophobicContact CE1-CB 4.31Å; F108-A112 HydrophobicContact CE2-CB 3.84Å; F108-A112 HydrophobicContact CG-CB 3.89Å; F108-A112 HydrophobicContact CZ-CB 4.14Å; F108-A112 CarbonylContact O-C 3.51Å; F108-A112 VanDerWaalsContact O-CA 3.29Å; F108-A112 WeakPolarHBondContact O-CA 3.4Å; F108-A112 WeakPolarHBondContact O-CB 3.41Å; F108-A112 PolarHBondContact O-N 3.3Å; F108-V113 PolarHBondContact O-N 2.92Å; F108-A371 HydrophobicContact CD2-CB 4.1Å; F108-A371 HydrophobicContact CE2-CB 4Å; F108-S374 WeakPolarHBondContact CE1-O 3.33Å; F108-V375 HydrophobicContact CZ-CG2 3.87Å; F108-A378 HydrophobicContact CE1-CB 3.85Å; F108-A378 HydrophobicContact CZ-CB 4.4Å; F108-Y473 HydrophobicContact CB-CE2 4.43Å; F108-Y473 HydrophobicContact CD2-CE2 4.18Å; F108-Y473 AromaticContact CD2-CZ 3.93Å
109N91.9Very high92.4Very high3 Ų38.1 Ų8.12%0.0165%0.047CC..Iπ-helixtrans-67.2-32.4179.9-79-5.5000113.8S105 A106 V107 V113 E377 N401S105-N109 VanDerWaalsContact O-CB 3.28Å; S105-N109 WeakPolarHBondContact O-CB 3.29Å; S105-N109 PolarHBondContact O-N 2.89Å; A106-N109 PolarHBondContact O-N 2.99Å; V107-N109 VanDerWaalsContact C-N 3.31Å; V107-N109 PolarHBondContact O-N 2.95Å; N109-V113 WeakPolarHBondContact O-CB 3.15Å; N109-E377 PolarHBondContact ND2-OE2 3.19Å; N109-E377 PolarHBondContact OD1-OE2 2.89Å; N109-N401 WeakPolarHBondContact CB-OD1 3.46Å; N109-N401 PolarHBondContact ND2-OD1 2.85Å
110I91.7Very high92.1Very high1 Ų19.4 Ų9.41%0.0056%0.061CC..Iπ-helixtrans-78.8-50.4178.2-74.4165.7000111.3A106 V107 F108 A114 Y139 N401 L443 L447 L450A106-I110 WeakPolarHBondContact O-CB 3.09Å; A106-I110 WeakPolarHBondContact O-CD1 3.43Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.38Å; A106-I110 PolarHBondContact O-N 3.48Å; V107-I110 PolarHBondContact O-N 3.39Å; F108-I110 PolarHBondContact O-N 3.05Å; I110-A114 VanDerWaalsContact O-CB 3.31Å; I110-A114 WeakPolarHBondContact O-CB 3Å; I110-Y139 HydrophobicContact CD1-CD1 4.08Å; I110-Y139 HydrophobicContact CD1-CE1 3.3Å; I110-N401 WeakPolarHBondContact CG1-ND2 3.17Å; I110-L443 HydrophobicContact CD1-CD1 4.34Å; I110-L447 HydrophobicContact CD1-CD1 4.37Å; I110-L450 HydrophobicContact CG2-CB 4.17Å; I110-L450 HydrophobicContact CG2-CD1 4.48Å; I110-L450 HydrophobicContact CG2-CD2 3.67Å; I110-L450 HydrophobicContact CG2-CG 4.3Å
111L94Very high91.7Very high0 Ų010 Ų100%07%0.066CC..Iπ-helixtrans-100.4-47.9-169.3-62.8177000112.6V107 A115 T446 L450 M472 Y473V107-L111 HydrophobicContact CG1-CD1 3.75Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 PolarHBondContact O-N 3.17Å; L111-A115 VanDerWaalsContact O-CB 3.23Å; L111-A115 WeakPolarHBondContact O-CB 3.37Å; L111-A115 PolarHBondContact O-N 3.28Å; L111-T446 HydrophobicContact CD1-CG2 4.1Å; L111-L450 HydrophobicContact CD2-CB 4.37Å; L111-L450 HydrophobicContact CD2-CD1 3.91Å; L111-M472 HydrophobicContact CD1-CB 4.1Å; L111-M472 HydrophobicContact CD2-CB 4.2Å; L111-M472 HydrophobicContact CD2-CE 4.11Å; L111-Y473 HydrophobicContact CB-CD2 4.34Å
112A93.5Very high91Very high5 Ų512.5 Ų12.54%0.0419%0.092CC..Iπ-helixtrans-72.2-40.6-175.300000111.6F108 A115 C116 Y473F108-A112 HydrophobicContact CD1-CB 4.19Å; F108-A112 HydrophobicContact CD2-CB 3.71Å; F108-A112 HydrophobicContact CE1-CB 4.31Å; F108-A112 HydrophobicContact CE2-CB 3.84Å; F108-A112 HydrophobicContact CG-CB 3.89Å; F108-A112 HydrophobicContact CZ-CB 4.14Å; F108-A112 CarbonylContact O-C 3.51Å; F108-A112 VanDerWaalsContact O-CA 3.29Å; F108-A112 WeakPolarHBondContact O-CA 3.4Å; F108-A112 WeakPolarHBondContact O-CB 3.41Å; F108-A112 PolarHBondContact O-N 3.3Å; A112-A115 WeakPolarHBondContact O-CB 3.21Å; A112-A115 PolarHBondContact O-N 3.35Å; A112-C116 VanDerWaalsContact O-CB 3.32Å; A112-C116 WeakPolarHBondContact O-CB 3.44Å; A112-C116 PolarHBondContact O-N 3.42Å; A112-C116 PolarHBondContact O-SG 3.21Å; A112-Y473 HydrophobicContact CB-CD1 4.43Å; A112-Y473 HydrophobicContact CB-CD2 4.23Å; A112-Y473 HydrophobicContact CB-CE2 4.33Å; A112-Y473 HydrophobicContact CB-CG 4.3Å
113V90.9Very high90.6Very high0 Ų016.8 Ų16.80%011%0.113CC..Hα-helixtrans-62.7-47.7173.9177.70000110.9F108 N109 A115 C116 C117 A378 S381F108-V113 PolarHBondContact O-N 2.92Å; N109-V113 WeakPolarHBondContact O-CB 3.15Å; V113-A115 VanDerWaalsContact C-N 3.28Å; V113-A115 PolarHBondContact O-N 3.04Å; V113-C116 PolarHBondContact O-N 3.35Å; V113-C117 WeakPolarHBondContact O-CB 3.23Å; V113-C117 PolarHBondContact O-N 2.73Å; V113-C117 PolarHBondContact O-SG 2.73Å; V113-C117 VanDerWaalsContact O-SG 3.36Å; V113-A378 HydrophobicContact CG2-CB 3.87Å; V113-S381 VanDerWaalsContact CG1-CB 3.45Å
114A91.7Very high90.3Very high1 Ų121.1 Ų21.11%0.00814%0.14CC..Hα-helixtrans-59.6-39.7176.300000112I110 C117 G118 L450 F454 C469I110-A114 VanDerWaalsContact O-CB 3.31Å; I110-A114 WeakPolarHBondContact O-CB 3Å; A114-C117 PolarHBondContact O-N 2.81Å; A114-G118 PolarHBondContact O-N 3.02Å; A114-L450 HydrophobicContact CB-CD1 4.3Å; A114-F454 HydrophobicContact CB-CZ 4.06Å; A114-C469 HydrophobicContact CB-CB 4.45Å
115A93.9Very high89.9Confident2 Ų221.1 Ų21.12%0.01714%0.14CC..Hα-helixtrans-62.6-49.4174.100000112.3L111 A112 V113 C117 G118 I119 G466 C469 L470L111-A115 VanDerWaalsContact O-CB 3.23Å; L111-A115 WeakPolarHBondContact O-CB 3.37Å; L111-A115 PolarHBondContact O-N 3.28Å; A112-A115 WeakPolarHBondContact O-CB 3.21Å; A112-A115 PolarHBondContact O-N 3.35Å; V113-A115 VanDerWaalsContact C-N 3.28Å; V113-A115 PolarHBondContact O-N 3.04Å; A115-C117 VanDerWaalsContact C-N 3.33Å; A115-C117 PolarHBondContact O-N 3.4Å; A115-G118 PolarHBondContact O-N 3.04Å; A115-I119 WeakPolarHBondContact O-CB 3.47Å; A115-I119 VanDerWaalsContact O-CG1 3.29Å; A115-I119 WeakPolarHBondContact O-CG1 3.48Å; A115-I119 PolarHBondContact O-N 3.43Å; A115-G466 WeakPolarHBondContact CA-O 3.36Å; A115-G466 VanDerWaalsContact CB-O 3.26Å; A115-G466 WeakPolarHBondContact CB-O 3.44Å; A115-C469 HydrophobicContact CB-CB 4.03Å; A115-L470 HydrophobicContact CB-CB 3.86Å; A115-L470 HydrophobicContact CB-CD1 4.44Å
116C91.9Very high89.5Confident55 Ų5525.3 Ų25.337%0.37217%0.167SC..Hα-helixtrans-59.3-43177.3-74.60000111.4A112 V113 G120 V382A112-C116 VanDerWaalsContact O-CB 3.32Å; A112-C116 WeakPolarHBondContact O-CB 3.44Å; A112-C116 PolarHBondContact O-N 3.42Å; A112-C116 PolarHBondContact O-SG 3.21Å; V113-C116 PolarHBondContact O-N 3.35Å; C116-G120 WeakPolarHBondContact O-CA 3.19Å; C116-G120 PolarHBondContact O-N 3.11Å; C116-V382 VanDerWaalsContact C-CG2 3.49Å; C116-V382 HydrophobicContact CB-CG2 3.58Å
117C89.9Confident89.1Confident0 Ų025.9 Ų25.90%017%0.17CC..Hα-helixtrans-64.2-48.6175.3-72.20000111.5V113 A114 A115 I119 A121 A385 L461V113-C117 WeakPolarHBondContact O-CB 3.23Å; V113-C117 PolarHBondContact O-N 2.73Å; V113-C117 PolarHBondContact O-SG 2.73Å; V113-C117 VanDerWaalsContact O-SG 3.36Å; A114-C117 PolarHBondContact O-N 2.81Å; A115-C117 VanDerWaalsContact C-N 3.33Å; A115-C117 PolarHBondContact O-N 3.4Å; C117-I119 PolarHBondContact O-N 3.18Å; C117-A121 WeakPolarHBondContact O-CB 3.39Å; C117-A121 PolarHBondContact O-N 3.25Å; C117-A385 HydrophobicContact CB-CB 4.2Å; C117-L461 HydrophobicContact CB-CD2 3.72Å
118G90.4Very high88.7Confident0 Ų030.5 Ų30.50%019%0.194CC..Hα-helixtrans-67.2-37.5-177.300000113.7A114 A115 K463A114-G118 PolarHBondContact O-N 3.02Å; A115-G118 PolarHBondContact O-N 3.04Å; G118-K463 WeakPolarHBondContact O-CA 3.49Å; G118-K463 WeakPolarHBondContact O-CG 3.39Å
119I92.3Very high88.2Confident76 Ų7635.4 Ų35.439%0.3921%0.213SC..Hα-helixtrans-82.4-44.9179.2-61.9168.6000110.7A115 C117 L470A115-I119 WeakPolarHBondContact O-CB 3.47Å; A115-I119 VanDerWaalsContact O-CG1 3.29Å; A115-I119 WeakPolarHBondContact O-CG1 3.48Å; A115-I119 PolarHBondContact O-N 3.43Å; C117-I119 PolarHBondContact O-N 3.18Å; I119-L470 HydrophobicContact CD1-CD2 4.11Å
120G85.6Confident87.6Confident32 Ų3239.6 Ų39.633%0.3323%0.228SC..Hα-helixtrans-84.3-24.8-169.200000115.2C116 G122 K386C116-G120 WeakPolarHBondContact O-CA 3.19Å; C116-G120 PolarHBondContact O-N 3.11Å; G120-G122 VanDerWaalsContact C-N 3.3Å; G120-G122 PolarHBondContact O-N 3.16Å; G120-K386 WeakPolarHBondContact O-CE 3.45Å; G120-K386 PolarHBondContact O-NZ 3.22Å
121A81.7Confident87.1Confident12 Ų1240.9 Ų40.910%0.09924%0.237CC..SBendtrans-70.8-24.7-178.900000113.4C117 M123 I125 A385 K386C117-A121 WeakPolarHBondContact O-CB 3.39Å; C117-A121 PolarHBondContact O-N 3.25Å; A121-M123 HydrophobicContact CB-CG 4.27Å; A121-M123 PolarHBondContact O-N 3.27Å; A121-M123 VanDerWaalsContact O-N 3.09Å; A121-I125 HydrophobicContact CB-CD1 3.66Å; A121-I125 HydrophobicContact CB-CG1 4.29Å; A121-A385 HydrophobicContact CB-CB 4.47Å; A121-K386 HydrophobicContact CB-CG 4.33Å
122G80.4Confident86.6Confident54 Ų5441 Ų4156%0.55724%0.237SC*.  trans70.1-0.5178.900000115G120G120-G122 VanDerWaalsContact C-N 3.3Å; G120-G122 PolarHBondContact O-N 3.16Å
123M83.6Confident86.3Confident89 Ų8941.6 Ų41.644%0.43824%0.241SC..SBendtrans-132.3160.1178.961.8-172-70.700110.6A121 I125A121-M123 HydrophobicContact CB-CG 4.27Å; A121-M123 PolarHBondContact O-N 3.27Å; A121-M123 VanDerWaalsContact O-N 3.09Å; M123-I125 HydrophobicContact CG-CG1 4.41Å
124T86.9Confident86Confident94 Ų9444.8 Ų44.858%0.57725%0.253SS*.PPolyproline II helixtrans-80.6118.9172.353.60000109.5D462T124-D462 HydrophobicContact CG2-CB 4.11Å
125I85.4Confident85.6Confident1 Ų145 Ų451%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-94.9118.6-177.8-60.1159.8000108.2A121 M123 L127 A385 L461A121-I125 HydrophobicContact CB-CD1 3.66Å; A121-I125 HydrophobicContact CB-CG1 4.29Å; M123-I125 HydrophobicContact CG-CG1 4.41Å; I125-L127 HydrophobicContact CG2-CD2 4.05Å; I125-A385 HydrophobicContact CD1-CB 3.71Å; I125-L461 HydrophobicContact CB-CB 4.24Å; I125-L461 HydrophobicContact CD1-CD2 4.15Å; I125-L461 PolarHBondContact N-O 3Å; I125-L461 PolarHBondContact O-N 3Å
126P84.3Confident85.3Confident87 Ų8745.4 Ų45.457%0.56526%0.256SS*.EExtended strand (participates in β ladder)trans-69.7131.8167.930.4-31.8000109.4
127L84.8Confident85.2Confident13 Ų1348 Ų487%0.06827%0.265CS..  trans-104.6138.8174.8-59.1178.7000109.4I125 W129 L132 I394 F454 F459 L461I125-L127 HydrophobicContact CG2-CD2 4.05Å; L127-W129 PolarHBondContact O-N 3.47Å; L127-L132 HydrophobicContact CD1-CD2 4.4Å; L127-I394 HydrophobicContact CD1-CD1 4.08Å; L127-I394 HydrophobicContact CD2-CD1 3.61Å; L127-F454 HydrophobicContact CD1-CD1 4.08Å; L127-F454 HydrophobicContact CD1-CD2 4.43Å; L127-F454 HydrophobicContact CD1-CE1 4.14Å; L127-F454 HydrophobicContact CD1-CE2 4.4Å; L127-F454 HydrophobicContact CD1-CG 4.23Å; L127-F454 HydrophobicContact CD1-CZ 4.27Å; L127-F459 HydrophobicContact CB-CB 4.24Å; L127-F459 WeakPolarHBondContact CB-O 3.48Å; L127-F459 PolarHBondContact N-O 3.03Å; L127-F459 WeakPolarHBondContact O-CB 3.34Å; L127-L461 HydrophobicContact CD1-CB 4.09Å; L127-L461 HydrophobicContact CD2-CB 4.48Å; L127-L461 HydrophobicContact CG-CB 4.24Å
128D83.7Confident85.1Confident96 Ų9649.1 Ų49.151%0.51328%0.275SS..  trans-79.4123.7174.6-59.4-62.1000109.4W130 P131 L132 S391D128-W130 VanDerWaalsContact C-N 3.34Å; D128-W130 PolarHBondContact O-N 3.01Å; D128-P131 HydrophobicContact CB-CG 4.13Å; D128-L132 WeakPolarHBondContact O-CB 3.2Å; D128-S391 WeakPolarHBondContact CB-OG 3.39Å; D128-S391 PolarHBondContact N-OG 3.08Å; D128-S391 VanDerWaalsContact N-OG 3.11Å; D128-S391 VanDerWaalsContact OD2-CB 3.28Å; D128-S391 WeakPolarHBondContact OD2-CB 3.49Å; D128-S391 PolarHBondContact OD2-OG 2.99Å
129W82.9Confident85.1Confident123 Ų12349.1 Ų49.147%0.46628%0.275SS..Hα-helixtrans-68-34.8-173.9-174.544.6000113.7L127 T133 Y451 F459L127-W129 PolarHBondContact O-N 3.47Å; W129-T133 VanDerWaalsContact CD1-OG1 3.26Å; W129-T133 PolarHBondContact NE1-OG1 3.16Å; W129-T133 VanDerWaalsContact O-CB 3.28Å; W129-T133 WeakPolarHBondContact O-CB 3.31Å; W129-T133 PolarHBondContact O-N 3.47Å; W129-T133 PolarHBondContact O-OG1 3.28Å; W129-Y451 VanDerWaalsContact CE2-OH 3.3Å; W129-Y451 WeakPolarHBondContact CZ2-OH 3.44Å; W129-Y451 AromaticContact NE1-CZ 3.7Å; W129-Y451 PolarHBondContact NE1-OH 3.42Å; W129-F459 HydrophobicContact CB-CD1 4.36Å; W129-F459 HydrophobicContact CB-CD2 3.88Å; W129-F459 HydrophobicContact CB-CE2 4.2Å; W129-F459 HydrophobicContact CB-CG 4Å; W129-F459 AromaticContact CD1-CD1 3.5Å; W129-F459 AromaticContact CD1-CD2 3.54Å; W129-F459 AromaticContact CD1-CE1 3.05Å; W129-F459 AromaticContact CD1-CE2 3.05Å; W129-F459 AromaticContact CD1-CG 3.76Å; W129-F459 AromaticContact CD1-CZ 2.82Å; W129-F459 HydrophobicContact CD2-CE2 4.24Å; W129-F459 HydrophobicContact CD2-CZ 4.48Å; W129-F459 AromaticContact CE2-CZ 3.99Å; W129-F459 HydrophobicContact CG-CD1 4.27Å; W129-F459 AromaticContact CG-CD2 3.75Å; W129-F459 HydrophobicContact CG-CD2 3.75Å; W129-F459 HydrophobicContact CG-CE1 4.13Å; W129-F459 AromaticContact CG-CE2 3.55Å; W129-F459 HydrophobicContact CG-CE2 3.55Å; W129-F459 HydrophobicContact CG-CG 4.14Å; W129-F459 AromaticContact CG-CZ 3.79Å; W129-F459 HydrophobicContact CG-CZ 3.79Å; W129-F459 AromaticContact NE1-CE1 3.49Å; W129-F459 AromaticContact NE1-CE2 3.28Å; W129-F459 VanDerWaalsContact NE1-CE2 3.28Å; W129-F459 AromaticContact NE1-CZ 2.87Å
130W80.6Confident85.2Confident90 Ų9046.1 Ų46.134%0.34126%0.263SS..Hα-helixtrans-69.1-56.5-172.8175.9-97000113.1D128 L132 T133 R134 A184D128-W130 VanDerWaalsContact C-N 3.34Å; D128-W130 PolarHBondContact O-N 3.01Å; W130-L132 VanDerWaalsContact C-N 3.3Å; W130-L132 PolarHBondContact O-N 3.45Å; W130-T133 PolarHBondContact O-N 3.37Å; W130-R134 WeakPolarHBondContact O-CB 3Å; W130-R134 PolarHBondContact O-N 3.4Å; W130-A184 HydrophobicContact CD2-CB 4.25Å; W130-A184 HydrophobicContact CE3-CB 4.16Å; W130-A184 HydrophobicContact CH2-CB 3.32Å; W130-A184 HydrophobicContact CZ2-CB 3.41Å; W130-A184 VanDerWaalsContact CZ2-CB 3.41Å; W130-A184 HydrophobicContact CZ3-CB 3.72Å
131P79.5Confident85.5Confident28 Ų2848.2 Ų48.218%0.18227%0.269CS..Hα-helixtrans-59.8-42.5178.8-21.834.4000111.8D128 T133 R134 D135D128-P131 HydrophobicContact CB-CG 4.13Å; P131-T133 PolarHBondContact O-N 2.86Å; P131-R134 PolarHBondContact O-N 2.68Å; P131-D135 WeakPolarHBondContact O-CB 2.89Å; P131-D135 VanDerWaalsContact O-CG 3.24Å; P131-D135 PolarHBondContact O-N 2.96Å
132L84.1Confident86Confident3 Ų347.9 Ų47.92%0.01627%0.266CS..Hα-helixtrans-59.8-44.3178.6-177.867.2000112.4L127 D128 W130 S136 I394 I398 F454 F459L127-L132 HydrophobicContact CD1-CD2 4.4Å; D128-L132 WeakPolarHBondContact O-CB 3.2Å; W130-L132 VanDerWaalsContact C-N 3.3Å; W130-L132 PolarHBondContact O-N 3.45Å; L132-S136 WeakPolarHBondContact O-CB 3.45Å; L132-S136 PolarHBondContact O-N 3.28Å; L132-S136 PolarHBondContact O-OG 3.44Å; L132-I394 HydrophobicContact CD1-CG2 4.32Å; L132-I398 HydrophobicContact CD1-CD1 3.64Å; L132-F454 HydrophobicContact CD1-CD2 4.26Å; L132-F454 HydrophobicContact CD1-CE2 4.21Å; L132-F454 HydrophobicContact CD2-CB 4.29Å; L132-F454 HydrophobicContact CD2-CD2 3.71Å; L132-F454 HydrophobicContact CD2-CE2 4.36Å; L132-F454 HydrophobicContact CD2-CG 4.32Å; L132-F454 HydrophobicContact CG-CD2 4.47Å; L132-F459 HydrophobicContact CD2-CD1 3.8Å; L132-F459 HydrophobicContact CD2-CE1 4.04Å
133T87.8Confident86.6Confident18 Ų1845.3 Ų45.311%0.1124%0.239CC..Hα-helixtrans-68.2-43.6178-59.40000111.3W129 W130 P131 S136 I137 Y451W129-T133 VanDerWaalsContact CD1-OG1 3.26Å; W129-T133 PolarHBondContact NE1-OG1 3.16Å; W129-T133 VanDerWaalsContact O-CB 3.28Å; W129-T133 WeakPolarHBondContact O-CB 3.31Å; W129-T133 PolarHBondContact O-N 3.47Å; W129-T133 PolarHBondContact O-OG1 3.28Å; W130-T133 PolarHBondContact O-N 3.37Å; P131-T133 PolarHBondContact O-N 2.86Å; T133-S136 PolarHBondContact O-N 3.13Å; T133-I137 HydrophobicContact CG2-CD1 3.7Å; T133-I137 HydrophobicContact CG2-CG1 4.35Å; T133-I137 WeakPolarHBondContact O-CB 3.32Å; T133-I137 VanDerWaalsContact O-CG1 3.23Å; T133-I137 WeakPolarHBondContact O-CG1 3.23Å; T133-I137 PolarHBondContact O-N 2.9Å; T133-Y451 HydrophobicContact CG2-CE2 4.16Å; T133-Y451 WeakPolarHBondContact OG1-CE2 3.37Å; T133-Y451 PolarHBondContact OG1-OH 3.34Å
134R83.6Confident87.1Confident67 Ų6743 Ų4325%0.25323%0.234SC..Hα-helixtrans-56.9-51.7176.8-179.7-161.667.6-163.3-3.5110.9W130 P131 I137 A138 D177W130-R134 WeakPolarHBondContact O-CB 3Å; W130-R134 PolarHBondContact O-N 3.4Å; P131-R134 PolarHBondContact O-N 2.68Å; R134-I137 PolarHBondContact O-N 3.41Å; R134-A138 WeakPolarHBondContact O-CB 3.38Å; R134-A138 PolarHBondContact O-N 3.27Å; R134-D177 WeakPolarHBondContact CD-OD1 3.27Å; R134-D177 IonicContact CZ-OD2 3.79Å; R134-D177 IonicContact NH1-OD1 4Å; R134-D177 IonicContact NH1-OD2 2.66Å; R134-D177 PolarHBondContact NH1-OD2 2.92Å
135D83.9Confident87.5Confident6 Ų640.9 Ų40.93%0.03222%0.219CC..Hα-helixtrans-70.3-37.1-176.1-62.5-9.7000110.9P131 I137 A138 Y139 I398P131-D135 WeakPolarHBondContact O-CB 2.89Å; P131-D135 VanDerWaalsContact O-CG 3.24Å; P131-D135 PolarHBondContact O-N 2.96Å; D135-I137 PolarHBondContact O-N 2.97Å; D135-A138 PolarHBondContact O-N 3.25Å; D135-Y139 WeakPolarHBondContact O-CB 3.48Å; D135-Y139 PolarHBondContact O-N 2.76Å; D135-I398 HydrophobicContact CB-CG2 3.85Å
136S88.6Confident87.8Confident10 Ų1040.9 Ų40.97%0.0722%0.219CC..Hα-helixtrans-65-38.4173.9-59.40000112.6L132 T133 G140L132-S136 WeakPolarHBondContact O-CB 3.45Å; L132-S136 PolarHBondContact O-N 3.28Å; L132-S136 PolarHBondContact O-OG 3.44Å; T133-S136 PolarHBondContact O-N 3.13Å; S136-G140 PolarHBondContact O-N 3.43Å
137I89.8Confident88.2Confident108 Ų10838 Ų3855%0.55420%0.198SC*.Hα-helixtrans-68.9-48176.5-71168.3000110.2T133 R134 D135 Y139 G140 V141T133-I137 HydrophobicContact CG2-CD1 3.7Å; T133-I137 HydrophobicContact CG2-CG1 4.35Å; T133-I137 WeakPolarHBondContact O-CB 3.32Å; T133-I137 VanDerWaalsContact O-CG1 3.23Å; T133-I137 WeakPolarHBondContact O-CG1 3.23Å; T133-I137 PolarHBondContact O-N 2.9Å; R134-I137 PolarHBondContact O-N 3.41Å; D135-I137 PolarHBondContact O-N 2.97Å; I137-Y139 VanDerWaalsContact C-N 3.31Å; I137-Y139 PolarHBondContact O-N 3.03Å; I137-G140 PolarHBondContact O-N 3.38Å; I137-V141 WeakPolarHBondContact O-CG2 3.45Å; I137-V141 PolarHBondContact O-N 3.27Å
138A87.7Confident88.6Confident25 Ų2541.9 Ų41.921%0.20723%0.225CC..Hα-helixtrans-56.4-50.2177.500000110.2R134 D135 G140 V141 T142 Y170R134-A138 WeakPolarHBondContact O-CB 3.38Å; R134-A138 PolarHBondContact O-N 3.27Å; D135-A138 PolarHBondContact O-N 3.25Å; A138-G140 PolarHBondContact O-N 2.95Å; A138-V141 WeakPolarHBondContact O-CB 3.17Å; A138-V141 PolarHBondContact O-N 3.48Å; A138-T142 WeakPolarHBondContact O-CG2 3.3Å; A138-T142 PolarHBondContact O-N 3.1Å; A138-Y170 HydrophobicContact CB-CD2 4.21Å; A138-Y170 HydrophobicContact CB-CE2 3.89Å
139Y90.2Very high89Confident0 Ų037.7 Ų37.70%020%0.204CC..Hα-helixtrans-60.5-44.5177.2-179.1-112.6000112.5A106 I110 D135 I137 V141 T142 V143 N401 I405 L443 L447A106-Y139 VanDerWaalsContact CB-OH 3.32Å; A106-Y139 WeakPolarHBondContact CB-OH 3.37Å; I110-Y139 HydrophobicContact CD1-CD1 4.08Å; I110-Y139 HydrophobicContact CD1-CE1 3.3Å; D135-Y139 WeakPolarHBondContact O-CB 3.48Å; D135-Y139 PolarHBondContact O-N 2.76Å; I137-Y139 VanDerWaalsContact C-N 3.31Å; I137-Y139 PolarHBondContact O-N 3.03Å; Y139-V141 VanDerWaalsContact C-N 3.3Å; Y139-V141 PolarHBondContact O-N 3.12Å; Y139-T142 WeakPolarHBondContact CA-OG1 3.42Å; Y139-T142 PolarHBondContact O-N 3.5Å; Y139-T142 PolarHBondContact O-OG1 3.46Å; Y139-V143 HydrophobicContact CD1-CG2 4.26Å; Y139-V143 HydrophobicContact CD2-CG2 4.21Å; Y139-V143 HydrophobicContact CE1-CG2 3.69Å; Y139-V143 HydrophobicContact CE2-CG2 3.69Å; Y139-V143 HydrophobicContact CG-CG2 4.46Å; Y139-V143 WeakPolarHBondContact O-CG2 3.48Å; Y139-V143 PolarHBondContact O-N 3.16Å; Y139-N401 HydrophobicContact CD2-CB 3.99Å; Y139-N401 HydrophobicContact CE2-CB 3.54Å; Y139-I405 HydrophobicContact CD2-CD1 4.48Å; Y139-I405 HydrophobicContact CE2-CD1 3.59Å; Y139-L443 VanDerWaalsContact OH-CD1 3.31Å; Y139-L443 WeakPolarHBondContact OH-CD1 3.39Å; Y139-L443 WeakPolarHBondContact OH-CD2 3.36Å; Y139-L443 WeakPolarHBondContact OH-CG 3.32Å; Y139-L447 HydrophobicContact CD1-CD1 3.64Å; Y139-L447 HydrophobicContact CD1-CD2 3.46Å; Y139-L447 VanDerWaalsContact CD1-CD2 3.46Å; Y139-L447 HydrophobicContact CD1-CG 4.05Å; Y139-L447 HydrophobicContact CE1-CB 4.46Å; Y139-L447 HydrophobicContact CE1-CD1 4.13Å; Y139-L447 HydrophobicContact CE1-CD2 3.98Å; Y139-L447 HydrophobicContact CE1-CG 4.41Å; Y139-L447 HydrophobicContact CG-CD2 4.47Å
140G93.2Very high89.4Confident13 Ų1332 Ų3213%0.13418%0.182CC..Hα-helixtrans-58.9-38.2175.900000113.6S136 I137 A138 A144S136-G140 PolarHBondContact O-N 3.43Å; I137-G140 PolarHBondContact O-N 3.38Å; A138-G140 PolarHBondContact O-N 2.95Å; G140-A144 WeakPolarHBondContact O-CB 3.18Å; G140-A144 PolarHBondContact O-N 3.02Å
141V92.6Very high89.8Confident75 Ų7533.8 Ų33.846%0.45519%0.194SC..Hα-helixtrans-64.7-43.21731720000110.9I137 A138 Y139 A144 I145I137-V141 WeakPolarHBondContact O-CG2 3.45Å; I137-V141 PolarHBondContact O-N 3.27Å; A138-V141 WeakPolarHBondContact O-CB 3.17Å; A138-V141 PolarHBondContact O-N 3.48Å; Y139-V141 VanDerWaalsContact C-N 3.3Å; Y139-V141 PolarHBondContact O-N 3.12Å; V141-A144 PolarHBondContact O-N 2.99Å; V141-I145 HydrophobicContact CG1-CD1 3.96Å; V141-I145 WeakPolarHBondContact O-CG1 3.49Å; V141-I145 PolarHBondContact O-N 3.21Å
142T92.6Very high90.3Very high6 Ų636.1 Ų36.14%0.03721%0.205CC..Hα-helixtrans-65.1-41.117962.80000113A138 Y139 I145 L146 L166 T402 L406A138-T142 WeakPolarHBondContact O-CG2 3.3Å; A138-T142 PolarHBondContact O-N 3.1Å; Y139-T142 WeakPolarHBondContact CA-OG1 3.42Å; Y139-T142 PolarHBondContact O-N 3.5Å; Y139-T142 PolarHBondContact O-OG1 3.46Å; T142-I145 PolarHBondContact O-N 2.92Å; T142-L146 PolarHBondContact O-N 3.45Å; T142-L166 HydrophobicContact CG2-CD2 4.35Å; T142-T402 HydrophobicContact CG2-CG2 4.04Å; T142-L406 HydrophobicContact CG2-CD1 3.68Å; T142-L406 HydrophobicContact CG2-CD2 3.84Å; T142-L406 HydrophobicContact CG2-CG 3.91Å
143V93.7Very high90.4Very high0 Ų040.4 Ų40.40%023%0.225CC..Hα-helixtrans-65.5-40.8175.6176.50000110.8Y139 I145 L146 I147 I405 L443 L444Y139-V143 HydrophobicContact CD1-CG2 4.26Å; Y139-V143 HydrophobicContact CD2-CG2 4.21Å; Y139-V143 HydrophobicContact CE1-CG2 3.69Å; Y139-V143 HydrophobicContact CE2-CG2 3.69Å; Y139-V143 HydrophobicContact CG-CG2 4.46Å; Y139-V143 WeakPolarHBondContact O-CG2 3.48Å; Y139-V143 PolarHBondContact O-N 3.16Å; V143-I145 VanDerWaalsContact C-N 3.32Å; V143-I145 PolarHBondContact O-N 3.2Å; V143-L146 WeakPolarHBondContact O-CB 3.23Å; V143-L146 PolarHBondContact O-N 2.63Å; V143-I147 HydrophobicContact CG1-CD1 4.1Å; V143-I147 HydrophobicContact CG1-CG1 4.5Å; V143-I147 VanDerWaalsContact O-CG1 3.32Å; V143-I147 WeakPolarHBondContact O-CG1 3.28Å; V143-I147 PolarHBondContact O-N 2.96Å; V143-I405 HydrophobicContact CG2-CD1 3.71Å; V143-L443 HydrophobicContact CG1-CD2 4.15Å; V143-L443 HydrophobicContact CG1-CG 4.36Å; V143-L443 HydrophobicContact CG2-CD2 3.96Å; V143-L443 HydrophobicContact CG2-CG 4.32Å; V143-L444 HydrophobicContact CB-CD1 4.42Å; V143-L444 HydrophobicContact CG1-CB 3.94Å; V143-L444 HydrophobicContact CG1-CD1 4.39Å
144A94.1Very high90.5Very high41 Ų4145.4 Ų45.434%0.33924%0.242SC..Hα-helixtrans-61.5-40.5176.600000112.2G140 V141 I147 C148G140-A144 WeakPolarHBondContact O-CB 3.18Å; G140-A144 PolarHBondContact O-N 3.02Å; V141-A144 PolarHBondContact O-N 2.99Å; A144-I147 PolarHBondContact O-N 3.02Å; A144-C148 PolarHBondContact O-N 2.93Å; A144-C148 PolarHBondContact O-SG 3.5Å; A144-C148 VanDerWaalsContact O-SG 3.37Å
145I93.6Very high90.8Very high49 Ų4942.2 Ų42.225%0.25123%0.23SC..Hα-helixtrans-67.1-41.8175.4-68.5168.2000110.6V141 T142 V143 I147 C148 V149 L163 L166V141-I145 HydrophobicContact CG1-CD1 3.96Å; V141-I145 WeakPolarHBondContact O-CG1 3.49Å; V141-I145 PolarHBondContact O-N 3.21Å; T142-I145 PolarHBondContact O-N 2.92Å; V143-I145 VanDerWaalsContact C-N 3.32Å; V143-I145 PolarHBondContact O-N 3.2Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.41Å; I145-C148 WeakPolarHBondContact O-CB 3.28Å; I145-C148 PolarHBondContact O-N 3.2Å; I145-C148 VanDerWaalsContact O-N 3.16Å; I145-V149 HydrophobicContact CG2-CG2 4.42Å; I145-V149 WeakPolarHBondContact O-CG2 3.42Å; I145-V149 PolarHBondContact O-N 3.3Å; I145-L163 HydrophobicContact CG2-CD2 4.04Å; I145-L166 HydrophobicContact CD1-CD2 3.42Å; I145-L166 VanDerWaalsContact CD1-CD2 3.42Å
146L93Very high91.2Very high0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-58.2-44.3175.1-179.666.1000111.6T142 V143 C148 V149 M150 I405 L409 W413T142-L146 PolarHBondContact O-N 3.45Å; V143-L146 WeakPolarHBondContact O-CB 3.23Å; V143-L146 PolarHBondContact O-N 2.63Å; L146-C148 VanDerWaalsContact C-N 3.31Å; L146-C148 PolarHBondContact O-N 3.42Å; L146-V149 PolarHBondContact O-N 3.43Å; L146-V149 VanDerWaalsContact O-N 3.16Å; L146-M150 HydrophobicContact CD1-CG 4.1Å; L146-M150 HydrophobicContact CD1-SD 3.72Å; L146-M150 HydrophobicContact CD2-SD 4.22Å; L146-M150 HydrophobicContact CG-CG 4.37Å; L146-M150 HydrophobicContact CG-SD 3.69Å; L146-M150 VanDerWaalsContact O-CG 3.29Å; L146-M150 WeakPolarHBondContact O-CG 3.13Å; L146-M150 PolarHBondContact O-N 3.01Å; L146-I405 HydrophobicContact CB-CG2 4.09Å; L146-I405 HydrophobicContact CD1-CG2 4.42Å; L146-I405 HydrophobicContact CD2-CD1 4.15Å; L146-I405 HydrophobicContact CD2-CG1 4.27Å; L146-I405 HydrophobicContact CD2-CG2 3.98Å; L146-I405 HydrophobicContact CG-CG2 4.39Å; L146-L409 HydrophobicContact CD1-CD1 4Å; L146-L409 HydrophobicContact CD2-CD1 4.26Å; L146-W413 HydrophobicContact CD1-CH2 3.96Å; L146-W413 HydrophobicContact CD1-CZ3 3.99Å
147I93Very high91.4Very high27 Ų2748.8 Ų48.814%0.13826%0.255CS..Hα-helixtrans-58-44.7175.9-66.9162.8000110.5V143 A144 I145 V149 M150 H151 A440 I441 L444V143-I147 HydrophobicContact CG1-CD1 4.1Å; V143-I147 HydrophobicContact CG1-CG1 4.5Å; V143-I147 VanDerWaalsContact O-CG1 3.32Å; V143-I147 WeakPolarHBondContact O-CG1 3.28Å; V143-I147 PolarHBondContact O-N 2.96Å; A144-I147 PolarHBondContact O-N 3.02Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.41Å; I147-V149 VanDerWaalsContact C-N 3.34Å; I147-V149 PolarHBondContact O-N 3.45Å; I147-M150 PolarHBondContact O-N 3.38Å; I147-H151 PolarHBondContact O-N 3Å; I147-A440 HydrophobicContact CG1-CB 3.7Å; I147-I441 HydrophobicContact CD1-CG1 4.01Å; I147-I441 HydrophobicContact CG1-CG1 4.26Å; I147-I441 HydrophobicContact CG2-CG1 4.05Å; I147-L444 HydrophobicContact CD1-CB 4.38Å; I147-L444 HydrophobicContact CD1-CD2 4.32Å
148C93.3Very high91.6Very high94 Ų9448.7 Ų48.764%0.63525%0.248SC*.Hα-helixtrans-61.7-39.8177.1-66.90000112.9A144 I145 L146 M150A144-C148 PolarHBondContact O-N 2.93Å; A144-C148 PolarHBondContact O-SG 3.5Å; A144-C148 VanDerWaalsContact O-SG 3.37Å; I145-C148 WeakPolarHBondContact O-CB 3.28Å; I145-C148 PolarHBondContact O-N 3.2Å; I145-C148 VanDerWaalsContact O-N 3.16Å; L146-C148 VanDerWaalsContact C-N 3.31Å; L146-C148 PolarHBondContact O-N 3.42Å; C148-M150 VanDerWaalsContact C-N 3.32Å
149V92Very high91.9Very high9 Ų948.7 Ų48.76%0.05524%0.244CC..Hα-helixtrans-71.7-25.7179.3171.20000112.3I145 L146 I147 V155 E159 W413I145-V149 HydrophobicContact CG2-CG2 4.42Å; I145-V149 WeakPolarHBondContact O-CG2 3.42Å; I145-V149 PolarHBondContact O-N 3.3Å; L146-V149 PolarHBondContact O-N 3.43Å; L146-V149 VanDerWaalsContact O-N 3.16Å; I147-V149 VanDerWaalsContact C-N 3.34Å; I147-V149 PolarHBondContact O-N 3.45Å; V149-V155 HydrophobicContact CG1-CB 4.4Å; V149-V155 HydrophobicContact CG1-CG1 3.87Å; V149-V155 HydrophobicContact CG1-CG2 4.03Å; V149-E159 HydrophobicContact CG1-CB 3.9Å; V149-E159 HydrophobicContact CG2-CB 3.97Å; V149-E159 HydrophobicContact CG2-CG 4.47Å; V149-W413 HydrophobicContact CG1-CZ3 4.49Å
150M90.3Very high92.1Very high4 Ų448.7 Ų48.72%0.0224%0.244CC..Hα-helixtrans-91.9-12.2-179.2-66179.371.300113.6V99 L146 I147 C148 D152 E153 I431 L436V99-M150 HydrophobicContact CG1-CE 3.79Å; V99-M150 HydrophobicContact CG1-SD 4.48Å; L146-M150 HydrophobicContact CD1-CG 4.1Å; L146-M150 HydrophobicContact CD1-SD 3.72Å; L146-M150 HydrophobicContact CD2-SD 4.22Å; L146-M150 HydrophobicContact CG-CG 4.37Å; L146-M150 HydrophobicContact CG-SD 3.69Å; L146-M150 VanDerWaalsContact O-CG 3.29Å; L146-M150 WeakPolarHBondContact O-CG 3.13Å; L146-M150 PolarHBondContact O-N 3.01Å; I147-M150 PolarHBondContact O-N 3.38Å; C148-M150 VanDerWaalsContact C-N 3.32Å; M150-D152 VanDerWaalsContact C-N 3.31Å; M150-D152 PolarHBondContact O-N 3.13Å; M150-E153 PolarHBondContact O-N 2.86Å; M150-E153 VanDerWaalsContact O-N 3.14Å; M150-I431 HydrophobicContact CB-CD1 4.13Å; M150-I431 HydrophobicContact CE-CD1 4.1Å; M150-I431 HydrophobicContact CG-CD1 3.85Å; M150-L436 HydrophobicContact CE-CB 3.43Å; M150-L436 VanDerWaalsContact CE-CB 3.43Å; M150-L436 HydrophobicContact CE-CD1 4.2Å
151H89.4Confident92.1Very high127 Ų12751.4 Ų51.459%0.58826%0.255SS*.THydrogen-bonded Turntrans-64.3-28.7-170.2177.3-81.2000114.2I147 E437I147-H151 PolarHBondContact O-N 3Å; H151-E437 IonicContact CD2-OE1 3.24Å; H151-E437 PolarHBondContact CD2-OE1 3.3Å
152D89.7Confident92.2Very high76 Ų7652.1 Ų52.141%0.40626%0.255SS..THydrogen-bonded Turntrans-10010.6178.968.8-10000113.4M150 R154M150-D152 VanDerWaalsContact C-N 3.31Å; M150-D152 PolarHBondContact O-N 3.13Å; D152-R154 PolarHBondContact O-N 3.21Å; D152-R154 VanDerWaalsContact O-N 3.07Å; D152-R154 PolarHBondContact OD1-N 3.27Å; D152-R154 VanDerWaalsContact OD1-N 3.14Å; D152-R154 VanDerWaalsContact OD1-O 3.06Å
153E86.8Confident92.2Very high94 Ų9451.8 Ų51.844%0.43925%0.253SS..SBendtrans57.715.6-178.4-56.6171.717600113.6M150 I431 A434M150-E153 PolarHBondContact O-N 2.86Å; M150-E153 VanDerWaalsContact O-N 3.14Å; E153-I431 PolarHBondContact O-N 3.4Å; E153-A434 WeakPolarHBondContact OE1-CB 3.49Å
154R88.9Confident92.2Very high122 Ų12253.4 Ų53.446%0.4626%0.263SS..EExtended strand (participates in β ladder)trans-140106.3-175-67-178.4-177.3-164.2-0.6111.2D152 E156 Y428D152-R154 PolarHBondContact O-N 3.21Å; D152-R154 VanDerWaalsContact O-N 3.07Å; D152-R154 PolarHBondContact OD1-N 3.27Å; D152-R154 VanDerWaalsContact OD1-N 3.14Å; D152-R154 VanDerWaalsContact OD1-O 3.06Å; R154-E156 PolarHBondContact O-N 3.27Å; R154-Y428 HydrophobicContact CB-CD2 4.18Å; R154-Y428 HydrophobicContact CG-CD2 4.06Å; R154-Y428 HydrophobicContact CG-CE2 4.25Å
155V91.3Very high92.1Very high0 Ų054.1 Ų54.10%027%0.266CS..EExtended strand (participates in β ladder)trans-82.4105.3176.3-174.60000109.7V149 E159 A160 W413 Y428 V429 I431V149-V155 HydrophobicContact CG1-CB 4.4Å; V149-V155 HydrophobicContact CG1-CG1 3.87Å; V149-V155 HydrophobicContact CG1-CG2 4.03Å; V155-E159 HydrophobicContact CG1-CB 4.46Å; V155-A160 HydrophobicContact CG1-CB 4.26Å; V155-W413 HydrophobicContact CB-CE3 4.46Å; V155-W413 HydrophobicContact CG1-CB 4.33Å; V155-W413 HydrophobicContact CG1-CD2 4.07Å; V155-W413 HydrophobicContact CG1-CE3 3.73Å; V155-W413 HydrophobicContact CG1-CG 4.39Å; V155-W413 HydrophobicContact CG1-CZ3 4.28Å; V155-W413 HydrophobicContact CG2-CD2 4.25Å; V155-W413 HydrophobicContact CG2-CE3 4.13Å; V155-W413 HydrophobicContact CG2-CH2 4.12Å; V155-W413 HydrophobicContact CG2-CZ2 4.24Å; V155-W413 HydrophobicContact CG2-CZ3 4.08Å; V155-Y428 CarbonylContact O-C 3.14Å; V155-Y428 VanDerWaalsContact O-CA 3.23Å; V155-Y428 WeakPolarHBondContact O-CA 3.45Å; V155-Y428 WeakPolarHBondContact O-CB 3.49Å; V155-V429 HydrophobicContact CB-CB 4.47Å; V155-V429 PolarHBondContact N-O 3.18Å; V155-V429 PolarHBondContact O-N 3.37Å; V155-I431 HydrophobicContact CG2-CD1 3.79Å; V155-I431 HydrophobicContact CG2-CG1 4.25Å
156E92.5Very high92Very high48 Ų4853.8 Ų53.822%0.22426%0.264CS..EExtended strand (participates in β ladder)trans-74.1152.2175.2-69.1-74.6168.400111.3R154 Y158 E159 A160R154-E156 PolarHBondContact O-N 3.27Å; E156-Y158 HydrophobicContact CB-CD1 3.7Å; E156-Y158 HydrophobicContact CB-CE1 3.29Å; E156-Y158 HydrophobicContact CB-CE2 4.36Å; E156-Y158 HydrophobicContact CB-CG 4.39Å; E156-Y158 HydrophobicContact CG-CE1 3.68Å; E156-Y158 PolarHBondContact O-N 2.95Å; E156-Y158 VanDerWaalsContact O-N 3.1Å; E156-E159 HydrophobicContact CB-CG 4.15Å; E156-E159 PolarHBondContact N-OE2 3.5Å; E156-E159 WeakPolarHBondContact O-CB 3.25Å; E156-E159 PolarHBondContact O-N 2.69Å; E156-A160 PolarHBondContact O-N 3.38Å; E156-A160 VanDerWaalsContact O-N 3.11Å
157W92.8Very high91.8Very high107 Ų10754.4 Ų54.441%0.40527%0.266SS..Hα-helixtrans-55.8-33-178.770.5-83.1000113.6L161 L414 A417 V418 N427W157-L161 HydrophobicContact CZ3-CD2 4Å; W157-L161 WeakPolarHBondContact O-CB 3.4Å; W157-L161 PolarHBondContact O-N 3.08Å; W157-L414 WeakPolarHBondContact O-CD1 3.49Å; W157-A417 HydrophobicContact CB-CB 3.78Å; W157-V418 HydrophobicContact CB-CG2 3.93Å; W157-N427 HydrophobicContact CB-CB 4.24Å; W157-N427 HydrophobicContact CG-CB 4.15Å; W157-N427 PolarHBondContact N-O 3.07Å
158Y93.3Very high91.5Very high105 Ų10556 Ų5641%0.41228%0.284SS..Hα-helixtrans-74-29.6179.263.5-97.9000111.7E156 L161 I162E156-Y158 HydrophobicContact CB-CD1 3.7Å; E156-Y158 HydrophobicContact CB-CE1 3.29Å; E156-Y158 HydrophobicContact CB-CE2 4.36Å; E156-Y158 HydrophobicContact CB-CG 4.39Å; E156-Y158 HydrophobicContact CG-CE1 3.68Å; E156-Y158 PolarHBondContact O-N 2.95Å; E156-Y158 VanDerWaalsContact O-N 3.1Å; Y158-L161 PolarHBondContact O-N 3.29Å; Y158-I162 HydrophobicContact CD2-CD1 4.37Å; Y158-I162 WeakPolarHBondContact O-CD1 3.41Å; Y158-I162 WeakPolarHBondContact O-CG1 3.46Å; Y158-I162 PolarHBondContact O-N 2.92Å
159E93.9Very high91.2Very high25 Ų2555.4 Ų55.412%0.11728%0.277CS..Hα-helixtrans-71.4-43.8175.9-60.8177.2147.900110.3V149 V155 E156 L161 I162 L163V149-E159 HydrophobicContact CG1-CB 3.9Å; V149-E159 HydrophobicContact CG2-CB 3.97Å; V149-E159 HydrophobicContact CG2-CG 4.47Å; V155-E159 HydrophobicContact CG1-CB 4.46Å; E156-E159 HydrophobicContact CB-CG 4.15Å; E156-E159 PolarHBondContact N-OE2 3.5Å; E156-E159 WeakPolarHBondContact O-CB 3.25Å; E156-E159 PolarHBondContact O-N 2.69Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 3.09Å; E159-I162 WeakPolarHBondContact O-CB 3.31Å; E159-I162 PolarHBondContact O-N 3.23Å; E159-I162 VanDerWaalsContact O-N 3.13Å; E159-L163 WeakPolarHBondContact O-CG 3.27Å; E159-L163 PolarHBondContact O-N 3.35Å
160A93.2Very high90.8Very high0 Ų056.1 Ų56.10%028%0.279CS..Hα-helixtrans-61.1-38.9171.500000112V155 E156 I162 L163 V164 W413 L414V155-A160 HydrophobicContact CG1-CB 4.26Å; E156-A160 PolarHBondContact O-N 3.38Å; E156-A160 VanDerWaalsContact O-N 3.11Å; A160-I162 VanDerWaalsContact C-N 3.34Å; A160-L163 PolarHBondContact O-N 3.47Å; A160-V164 WeakPolarHBondContact O-CG2 3.34Å; A160-V164 PolarHBondContact O-N 3.33Å; A160-V164 VanDerWaalsContact O-N 3.13Å; A160-W413 HydrophobicContact CB-CB 3.92Å; A160-L414 HydrophobicContact CB-CB 3.84Å; A160-L414 HydrophobicContact CB-CD1 4.34Å
161L94Very high90.2Very high71 Ų7158.1 Ų58.137%0.37229%0.289SS..Hα-helixtrans-65.1-37.6174-177.964000111.9W157 Y158 E159 V164 S165 L414W157-L161 HydrophobicContact CZ3-CD2 4Å; W157-L161 WeakPolarHBondContact O-CB 3.4Å; W157-L161 PolarHBondContact O-N 3.08Å; Y158-L161 PolarHBondContact O-N 3.29Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 3.09Å; L161-V164 PolarHBondContact O-N 2.81Å; L161-S165 WeakPolarHBondContact O-CB 3.44Å; L161-S165 PolarHBondContact O-N 3.39Å; L161-S165 PolarHBondContact O-OG 2.83Å; L161-L414 HydrophobicContact CB-CD1 3.96Å; L161-L414 HydrophobicContact CD1-CD2 4.1Å
162I94.1Very high89.7Confident89 Ų8954 Ų5446%0.45628%0.278SS..Hα-helixtrans-62.9-44.1175.3-73.7161.3000110.2Y158 E159 A160 S165 L166Y158-I162 HydrophobicContact CD2-CD1 4.37Å; Y158-I162 WeakPolarHBondContact O-CD1 3.41Å; Y158-I162 WeakPolarHBondContact O-CG1 3.46Å; Y158-I162 PolarHBondContact O-N 2.92Å; E159-I162 WeakPolarHBondContact O-CB 3.31Å; E159-I162 PolarHBondContact O-N 3.23Å; E159-I162 VanDerWaalsContact O-N 3.13Å; A160-I162 VanDerWaalsContact C-N 3.34Å; I162-S165 PolarHBondContact O-N 3.43Å; I162-L166 WeakPolarHBondContact O-CB 3.32Å; I162-L166 PolarHBondContact O-N 3.26Å
163L93.3Very high89.1Confident0 Ų054.5 Ų54.50%028%0.283CS..Hα-helixtrans-58.1-49.8176.2-67.4173.9000111.6I145 E159 A160 S165 L166 Y167 L406 W413I145-L163 HydrophobicContact CG2-CD2 4.04Å; E159-L163 WeakPolarHBondContact O-CG 3.27Å; E159-L163 PolarHBondContact O-N 3.35Å; A160-L163 PolarHBondContact O-N 3.47Å; L163-S165 PolarHBondContact O-N 3.44Å; L163-L166 PolarHBondContact O-N 3.08Å; L163-Y167 PolarHBondContact O-N 3.02Å; L163-L406 CarbonylContact C-O 3.52Å; L163-L406 HydrophobicContact CD2-CD2 4.08Å; L163-W413 HydrophobicContact CD1-CE3 3.83Å; L163-W413 HydrophobicContact CD1-CZ3 3.76Å
164V93.3Very high88.3Confident33 Ų3352.1 Ų52.120%0.227%0.272CS..Hα-helixtrans-65-42179.1176.90000111.6A160 L161 L166 Y167 A168 L407 G410 V411 L414A160-V164 WeakPolarHBondContact O-CG2 3.34Å; A160-V164 PolarHBondContact O-N 3.33Å; A160-V164 VanDerWaalsContact O-N 3.13Å; L161-V164 PolarHBondContact O-N 2.81Å; V164-L166 VanDerWaalsContact C-N 3.34Å; V164-L166 PolarHBondContact O-N 3.27Å; V164-Y167 WeakPolarHBondContact O-CB 3.31Å; V164-Y167 PolarHBondContact O-N 3.01Å; V164-A168 PolarHBondContact O-N 2.88Å; V164-L407 HydrophobicContact CG1-CD2 4.05Å; V164-L407 HydrophobicContact CG2-CD2 4.49Å; V164-G410 VanDerWaalsContact CG2-C 3.5Å; V164-V411 HydrophobicContact CG2-CG2 3.88Å; V164-L414 HydrophobicContact CG2-CD2 4.25Å
165S92.4Very high87.4Confident57 Ų5753.2 Ų53.240%0.39928%0.278SS..Hα-helixtrans-66.7-36.4178.6-58.60000111.9L161 I162 L163 Y167 A168 V169L161-S165 WeakPolarHBondContact O-CB 3.44Å; L161-S165 PolarHBondContact O-N 3.39Å; L161-S165 PolarHBondContact O-OG 2.83Å; I162-S165 PolarHBondContact O-N 3.43Å; L163-S165 PolarHBondContact O-N 3.44Å; S165-Y167 VanDerWaalsContact C-N 3.25Å; S165-Y167 PolarHBondContact O-N 3.25Å; S165-A168 WeakPolarHBondContact O-CB 3.42Å; S165-A168 PolarHBondContact O-N 3.43Å; S165-A168 VanDerWaalsContact O-N 3.13Å; S165-V169 PolarHBondContact O-N 3.46Å; S165-V169 VanDerWaalsContact O-N 3.08Å
166L91.6Very high86.4Confident41 Ų4159.2 Ų59.222%0.21530%0.304CS..Hα-helixtrans-64.1-32.5175.8-174.764.6000111.5T142 I145 I162 L163 V164 V169 Y170 L406T142-L166 HydrophobicContact CG2-CD2 4.35Å; I145-L166 HydrophobicContact CD1-CD2 3.42Å; I145-L166 VanDerWaalsContact CD1-CD2 3.42Å; I162-L166 WeakPolarHBondContact O-CB 3.32Å; I162-L166 PolarHBondContact O-N 3.26Å; L163-L166 PolarHBondContact O-N 3.08Å; V164-L166 VanDerWaalsContact C-N 3.34Å; V164-L166 PolarHBondContact O-N 3.27Å; L166-V169 PolarHBondContact O-N 3.43Å; L166-Y170 WeakPolarHBondContact O-CB 3.43Å; L166-Y170 PolarHBondContact O-N 2.97Å; L166-L406 HydrophobicContact CB-CD2 4.29Å; L166-L406 HydrophobicContact CD2-CD2 3.81Å; L166-L406 HydrophobicContact CG-CD1 4.27Å; L166-L406 HydrophobicContact CG-CD2 4.27Å
167Y88.4Confident85Confident13 Ų1357.6 Ų57.65%0.05130%0.297CS..Hα-helixtrans-63.8-42.2171.7-173-109000111.9A71 L163 V164 S165 V169 Y170 L171 F403 L406 L407A71-Y167 PolarHBondContact O-OH 2.89Å; L163-Y167 PolarHBondContact O-N 3.02Å; V164-Y167 WeakPolarHBondContact O-CB 3.31Å; V164-Y167 PolarHBondContact O-N 3.01Å; S165-Y167 VanDerWaalsContact C-N 3.25Å; S165-Y167 PolarHBondContact O-N 3.25Å; Y167-V169 VanDerWaalsContact C-N 3.27Å; Y167-V169 PolarHBondContact O-N 3.29Å; Y167-Y170 HydrophobicContact CD2-CD1 4.02Å; Y167-Y170 AromaticContact CE2-CD1 3.92Å; Y167-Y170 HydrophobicContact CE2-CD1 3.92Å; Y167-Y170 HydrophobicContact CE2-CE1 4.31Å; Y167-Y170 WeakPolarHBondContact O-CB 2.83Å; Y167-Y170 PolarHBondContact O-N 2.98Å; Y167-Y170 VanDerWaalsContact O-N 3.14Å; Y167-L171 HydrophobicContact CD1-CD1 3.98Å; Y167-L171 HydrophobicContact CD1-CG 4.08Å; Y167-L171 HydrophobicContact CE1-CD1 3.45Å; Y167-L171 VanDerWaalsContact CE1-CD1 3.45Å; Y167-L171 HydrophobicContact CE1-CD2 4.03Å; Y167-L171 HydrophobicContact CE1-CG 3.7Å; Y167-L171 HydrophobicContact CE2-CD2 4.16Å; Y167-L171 HydrophobicContact CE2-CG 4.42Å; Y167-L171 WeakPolarHBondContact O-CG 3.4Å; Y167-L171 PolarHBondContact O-N 2.87Å; Y167-F403 HydrophobicContact CE1-CD2 4.36Å; Y167-F403 HydrophobicContact CE2-CB 4.18Å; Y167-F403 AromaticContact CE2-CD2 3.92Å; Y167-F403 HydrophobicContact CE2-CD2 3.92Å; Y167-F403 AromaticContact CZ-CD2 3.65Å; Y167-F403 WeakPolarHBondContact OH-CD2 3.4Å; Y167-L406 HydrophobicContact CD2-CB 4.13Å; Y167-L406 HydrophobicContact CD2-CD1 4.11Å; Y167-L406 HydrophobicContact CG-CB 4.34Å; Y167-L407 HydrophobicContact CD1-CD1 3.26Å; Y167-L407 HydrophobicContact CD1-CD2 3.87Å; Y167-L407 HydrophobicContact CD1-CG 3.45Å; Y167-L407 VanDerWaalsContact CD1-CG 3.45Å; Y167-L407 HydrophobicContact CD2-CD1 4.48Å; Y167-L407 HydrophobicContact CD2-CG 4.22Å; Y167-L407 HydrophobicContact CE1-CD1 3.16Å; Y167-L407 HydrophobicContact CE1-CG 3.86Å; Y167-L407 HydrophobicContact CE2-CD1 4.43Å; Y167-L407 HydrophobicContact CG-CD1 3.95Å; Y167-L407 HydrophobicContact CG-CD2 4.17Å; Y167-L407 HydrophobicContact CG-CG 3.65Å
168A86.8Confident83.2Confident61 Ų6157.9 Ų57.950%0.50430%0.301SS..Hα-helixtrans-61.3-37.9175.300000111.8V164 S165 L171 A172V164-A168 PolarHBondContact O-N 2.88Å; S165-A168 WeakPolarHBondContact O-CB 3.42Å; S165-A168 PolarHBondContact O-N 3.43Å; S165-A168 VanDerWaalsContact O-N 3.13Å; A168-L171 PolarHBondContact O-N 3.17Å; A168-A172 PolarHBondContact O-N 2.97Å
169V87.6Confident81.3Confident82 Ų8257.5 Ų57.550%0.49731%0.31SS..Hα-helixtrans-65.5-45172.6176.30000111.1S165 L166 Y167 L171 A172 V173S165-V169 PolarHBondContact O-N 3.46Å; S165-V169 VanDerWaalsContact O-N 3.08Å; L166-V169 PolarHBondContact O-N 3.43Å; Y167-V169 VanDerWaalsContact C-N 3.27Å; Y167-V169 PolarHBondContact O-N 3.29Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.49Å; V169-A172 WeakPolarHBondContact O-CB 3.21Å; V169-A172 PolarHBondContact O-N 3.23Å; V169-A172 VanDerWaalsContact O-N 3.14Å; V169-V173 HydrophobicContact CG1-CG2 4.36Å; V169-V173 WeakPolarHBondContact O-CG2 3.14Å; V169-V173 PolarHBondContact O-N 3.31Å
170Y83.2Confident79.5Confident24 Ų2462.8 Ų62.89%0.09433%0.332CS..Hα-helixtrans-56.9-44.9175.5171.5-106.4000111.5A138 L166 Y167 A172 V173 M174 T402A138-Y170 HydrophobicContact CB-CD2 4.21Å; A138-Y170 HydrophobicContact CB-CE2 3.89Å; L166-Y170 WeakPolarHBondContact O-CB 3.43Å; L166-Y170 PolarHBondContact O-N 2.97Å; Y167-Y170 HydrophobicContact CD2-CD1 4.02Å; Y167-Y170 AromaticContact CE2-CD1 3.92Å; Y167-Y170 HydrophobicContact CE2-CD1 3.92Å; Y167-Y170 HydrophobicContact CE2-CE1 4.31Å; Y167-Y170 WeakPolarHBondContact O-CB 2.83Å; Y167-Y170 PolarHBondContact O-N 2.98Å; Y167-Y170 VanDerWaalsContact O-N 3.14Å; Y170-A172 PolarHBondContact O-N 3.31Å; Y170-V173 PolarHBondContact O-N 3.36Å; Y170-M174 HydrophobicContact CD1-SD 4.09Å; Y170-M174 HydrophobicContact CD2-CG 4.42Å; Y170-M174 HydrophobicContact CE1-CG 4.25Å; Y170-M174 HydrophobicContact CE1-SD 3.32Å; Y170-M174 WeakPolarHBondContact CE1-SD 3.4Å; Y170-M174 HydrophobicContact CE2-CG 4.05Å; Y170-M174 HydrophobicContact CE2-SD 3.91Å; Y170-M174 WeakPolarHBondContact O-CG 3.41Å; Y170-M174 PolarHBondContact O-N 2.86Å; Y170-M174 PolarHBondContact OH-SD 2.86Å; Y170-T402 HydrophobicContact CD1-CG2 4.03Å; Y170-T402 HydrophobicContact CD2-CG2 4.14Å; Y170-T402 HydrophobicContact CE1-CG2 3.88Å; Y170-T402 HydrophobicContact CE2-CG2 4Å; Y170-T402 HydrophobicContact CG-CG2 4.14Å
171L78.4Confident77.8Confident45 Ų4565 Ų6524%0.23634%0.343CS..Hα-helixtrans-62.6-41.2174.5-68.4-169.7000113.1T72 Y167 A168 V169 M174 Y175T72-L171 HydrophobicContact CG2-CD1 3.58Å; T72-L171 HydrophobicContact CG2-CD2 3.26Å; T72-L171 HydrophobicContact CG2-CG 3.99Å; Y167-L171 HydrophobicContact CD1-CD1 3.98Å; Y167-L171 HydrophobicContact CD1-CG 4.08Å; Y167-L171 HydrophobicContact CE1-CD1 3.45Å; Y167-L171 VanDerWaalsContact CE1-CD1 3.45Å; Y167-L171 HydrophobicContact CE1-CD2 4.03Å; Y167-L171 HydrophobicContact CE1-CG 3.7Å; Y167-L171 HydrophobicContact CE2-CD2 4.16Å; Y167-L171 HydrophobicContact CE2-CG 4.42Å; Y167-L171 WeakPolarHBondContact O-CG 3.4Å; Y167-L171 PolarHBondContact O-N 2.87Å; A168-L171 PolarHBondContact O-N 3.17Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.49Å; L171-M174 PolarHBondContact O-N 3.46Å; L171-Y175 VanDerWaalsContact O-CB 3.24Å; L171-Y175 WeakPolarHBondContact O-CB 3.49Å; L171-Y175 PolarHBondContact O-N 2.66Å
172A79.4Confident75.9Confident42 Ų4268.8 Ų68.835%0.34736%0.356SS..Hα-helixtrans-62.6-44.4174.800000110.9A168 V169 Y170 M174 Y175 F176A168-A172 PolarHBondContact O-N 2.97Å; V169-A172 WeakPolarHBondContact O-CB 3.21Å; V169-A172 PolarHBondContact O-N 3.23Å; V169-A172 VanDerWaalsContact O-N 3.14Å; Y170-A172 PolarHBondContact O-N 3.31Å; A172-M174 PolarHBondContact O-N 3.5Å; A172-Y175 WeakPolarHBondContact O-CB 3.48Å; A172-Y175 PolarHBondContact O-N 2.67Å; A172-F176 HydrophobicContact CB-CE2 4.45Å; A172-F176 WeakPolarHBondContact O-CD2 3.21Å; A172-F176 PolarHBondContact O-N 3.12Å
173V76.9Confident74Confident85 Ų8567.5 Ų67.552%0.51536%0.355SS..Hα-helixtrans-61.1-45.7176.7171.80000111V169 Y170 Y175 F176 D177V169-V173 HydrophobicContact CG1-CG2 4.36Å; V169-V173 WeakPolarHBondContact O-CG2 3.14Å; V169-V173 PolarHBondContact O-N 3.31Å; Y170-V173 PolarHBondContact O-N 3.36Å; V173-Y175 VanDerWaalsContact C-N 3.32Å; V173-Y175 PolarHBondContact O-N 3.32Å; V173-F176 CarbonylContact O-C 3.57Å; V173-F176 PolarHBondContact O-N 3.15Å; V173-D177 PolarHBondContact O-N 2.97Å
174M69.9Low72.3Confident44 Ų4468.1 Ų68.122%0.21736%0.36CS..Hα-helixtrans-63.3-38175-71.9-168.382.700112.4A71 Y170 L171 A172 F176 D177A71-M174 HydrophobicContact CB-CE 3.36Å; A71-M174 HydrophobicContact CB-SD 3.56Å; A71-M174 VanDerWaalsContact CB-SD 3.56Å; Y170-M174 HydrophobicContact CD1-SD 4.09Å; Y170-M174 HydrophobicContact CD2-CG 4.42Å; Y170-M174 HydrophobicContact CE1-CG 4.25Å; Y170-M174 HydrophobicContact CE1-SD 3.32Å; Y170-M174 WeakPolarHBondContact CE1-SD 3.4Å; Y170-M174 HydrophobicContact CE2-CG 4.05Å; Y170-M174 HydrophobicContact CE2-SD 3.91Å; Y170-M174 WeakPolarHBondContact O-CG 3.41Å; Y170-M174 PolarHBondContact O-N 2.86Å; Y170-M174 PolarHBondContact OH-SD 2.86Å; L171-M174 PolarHBondContact O-N 3.46Å; A172-M174 PolarHBondContact O-N 3.5Å; M174-F176 VanDerWaalsContact C-N 3.33Å; M174-F176 PolarHBondContact O-N 3.21Å; M174-D177 WeakPolarHBondContact O-CB 3.47Å; M174-D177 PolarHBondContact O-N 3.02Å
175Y69.3Low70.7Confident145 Ų14571.4 Ų71.457%0.56937%0.371SS*.Hα-helixtrans-63.1-40.6176.1-178.8-96.2000111.9V68 L171 A172 V173 D177V68-Y175 HydrophobicContact CG2-CD2 3.74Å; V68-Y175 HydrophobicContact CG2-CE2 4.34Å; L171-Y175 VanDerWaalsContact O-CB 3.24Å; L171-Y175 WeakPolarHBondContact O-CB 3.49Å; L171-Y175 PolarHBondContact O-N 2.66Å; A172-Y175 WeakPolarHBondContact O-CB 3.48Å; A172-Y175 PolarHBondContact O-N 2.67Å; V173-Y175 VanDerWaalsContact C-N 3.32Å; V173-Y175 PolarHBondContact O-N 3.32Å; Y175-D177 VanDerWaalsContact C-N 3.3Å
176F69.6Low69Low126 Ų12674.4 Ų74.455%0.55338%0.379SS*.Hα-helixtrans-83.6-2.3176.6-65.3-63000113.9A172 V173 M174 K178 T179A172-F176 HydrophobicContact CB-CE2 4.45Å; A172-F176 WeakPolarHBondContact O-CD2 3.21Å; A172-F176 PolarHBondContact O-N 3.12Å; V173-F176 CarbonylContact O-C 3.57Å; V173-F176 PolarHBondContact O-N 3.15Å; M174-F176 VanDerWaalsContact C-N 3.33Å; M174-F176 PolarHBondContact O-N 3.21Å; F176-K178 PolarHBondContact O-N 3.44Å; F176-K178 VanDerWaalsContact O-N 3.15Å; F176-T179 WeakPolarHBondContact O-CB 3.42Å; F176-T179 PolarHBondContact O-N 2.94Å
177D62.9Low67.4Low15 Ų1577.3 Ų77.38%0.0839%0.394CS..Hα-helixtrans-61.4-27.3-174.9-170.261.3000112.8R134 V173 M174 Y175 T179 F180 Q181R134-D177 WeakPolarHBondContact CD-OD1 3.27Å; R134-D177 IonicContact CZ-OD2 3.79Å; R134-D177 IonicContact NH1-OD1 4Å; R134-D177 IonicContact NH1-OD2 2.66Å; R134-D177 PolarHBondContact NH1-OD2 2.92Å; V173-D177 PolarHBondContact O-N 2.97Å; M174-D177 WeakPolarHBondContact O-CB 3.47Å; M174-D177 PolarHBondContact O-N 3.02Å; Y175-D177 VanDerWaalsContact C-N 3.3Å; D177-T179 PolarHBondContact O-N 3.44Å; D177-T179 VanDerWaalsContact O-N 3.1Å; D177-F180 CarbonylContact O-C 3.53Å; D177-F180 WeakPolarHBondContact O-CA 3.34Å; D177-F180 WeakPolarHBondContact O-CB 3.4Å; D177-F180 PolarHBondContact O-N 3.24Å; D177-Q181 WeakPolarHBondContact O-CB 3.19Å; D177-Q181 PolarHBondContact O-N 2.87Å
178K55.2Low66.3Low112 Ų11280.5 Ų80.549%0.48742%0.415SS..Hα-helixtrans-56.8-29.3173.2-63.3-163180-161.60113.3D67 F176 K182D67-K178 WeakPolarHBondContact OD2-CE 3.44Å; D67-K178 IonicContact OD2-NZ 3.26Å; D67-K178 PolarHBondContact OD2-NZ 2.97Å; F176-K178 PolarHBondContact O-N 3.44Å; F176-K178 VanDerWaalsContact O-N 3.15Å; K178-K182 WeakPolarHBondContact O-CG 3.38Å
179T54.8Low65.2Low97 Ų9783.6 Ų83.660%0.59542%0.419SS*.Hα-helixtrans-78-37.9174.4-51.90000110.8F176 D177 C183F176-T179 WeakPolarHBondContact O-CB 3.42Å; F176-T179 PolarHBondContact O-N 2.94Å; D177-T179 PolarHBondContact O-N 3.44Å; D177-T179 VanDerWaalsContact O-N 3.1Å; T179-C183 WeakPolarHBondContact O-CB 3.4Å; T179-C183 PolarHBondContact O-N 2.9Å; T179-C183 VanDerWaalsContact O-N 3.13Å
180F56.3Low64.2Low136 Ų13684.6 Ų84.660%0.59642%0.422SS*.Hα-helixtrans-70.7-40.7179-116.1-86.7000112.6D177 K182 C183 A184D177-F180 CarbonylContact O-C 3.53Å; D177-F180 WeakPolarHBondContact O-CA 3.34Å; D177-F180 WeakPolarHBondContact O-CB 3.4Å; D177-F180 PolarHBondContact O-N 3.24Å; F180-K182 VanDerWaalsContact C-N 3.32Å; F180-K182 PolarHBondContact O-N 3.3Å; F180-C183 PolarHBondContact O-N 3.1Å; F180-A184 WeakPolarHBondContact O-CB 3.37Å; F180-A184 PolarHBondContact O-N 2.76Å
181Q55.8Low63.2Low46 Ų4691.6 Ų91.622%0.21545%0.448CS..Hα-helixtrans-63.7-37.8178-159-173.52000111.5D177 K185D177-Q181 WeakPolarHBondContact O-CB 3.19Å; D177-Q181 PolarHBondContact O-N 2.87Å; Q181-K185 VanDerWaalsContact O-CB 3.3Å; Q181-K185 WeakPolarHBondContact O-CB 3.45Å; Q181-K185 VanDerWaalsContact O-CG 3.3Å; Q181-K185 WeakPolarHBondContact O-CG 3.31Å; Q181-K185 PolarHBondContact O-N 2.96Å
182K55.2Low62.8Low151 Ų15193.7 Ų93.766%0.65746%0.458SS*.Hα-helixtrans-65.3-49.5172.5-72.8178.9-178.4-176.20111.5K178 F180 A184 K185 E186K178-K182 WeakPolarHBondContact O-CG 3.38Å; F180-K182 VanDerWaalsContact C-N 3.32Å; F180-K182 PolarHBondContact O-N 3.3Å; K182-A184 PolarHBondContact O-N 3.15Å; K182-K185 PolarHBondContact O-N 3.48Å; K182-E186 WeakPolarHBondContact O-CB 3.42Å; K182-E186 WeakPolarHBondContact O-CG 3.36Å; K182-E186 PolarHBondContact O-N 2.94Å
183C53.3Low61.7Low63 Ų6395.4 Ų95.443%0.42647%0.467SS..Hα-helixtrans-64.7-39.8179.6-170.80000112.7T179 F180 E186 L187T179-C183 WeakPolarHBondContact O-CB 3.4Å; T179-C183 PolarHBondContact O-N 2.9Å; T179-C183 VanDerWaalsContact O-N 3.13Å; F180-C183 PolarHBondContact O-N 3.1Å; C183-E186 PolarHBondContact O-N 3.28Å; C183-L187 WeakPolarHBondContact O-CB 3.3Å; C183-L187 PolarHBondContact O-N 3.38Å
184A58.8Low61Low12 Ų1297.4 Ų97.410%0.09947%0.471CS..Hα-helixtrans-69.4-41.717800000112.2W130 F180 K182 L187 V188W130-A184 HydrophobicContact CD2-CB 4.25Å; W130-A184 HydrophobicContact CE3-CB 4.16Å; W130-A184 HydrophobicContact CH2-CB 3.32Å; W130-A184 HydrophobicContact CZ2-CB 3.41Å; W130-A184 VanDerWaalsContact CZ2-CB 3.41Å; W130-A184 HydrophobicContact CZ3-CB 3.72Å; F180-A184 WeakPolarHBondContact O-CB 3.37Å; F180-A184 PolarHBondContact O-N 2.76Å; K182-A184 PolarHBondContact O-N 3.15Å; A184-L187 PolarHBondContact O-N 3.19Å; A184-V188 WeakPolarHBondContact O-CG2 3.25Å; A184-V188 PolarHBondContact O-N 2.96Å
185K58.8Low60.7Low102 Ų10299.6 Ų99.644%0.44348%0.483SS..Hα-helixtrans-60.4-47.4171.2-79.4178.1177.5174.90110.6Q181 K182 L187 V188 E189Q181-K185 VanDerWaalsContact O-CB 3.3Å; Q181-K185 WeakPolarHBondContact O-CB 3.45Å; Q181-K185 VanDerWaalsContact O-CG 3.3Å; Q181-K185 WeakPolarHBondContact O-CG 3.31Å; Q181-K185 PolarHBondContact O-N 2.96Å; K182-K185 PolarHBondContact O-N 3.48Å; K185-L187 PolarHBondContact O-N 3.14Å; K185-V188 PolarHBondContact O-N 2.83Å; K185-E189 VanDerWaalsContact O-CB 3.24Å; K185-E189 WeakPolarHBondContact O-CB 3.47Å; K185-E189 PolarHBondContact O-N 3Å
186E57Low60.2Low120 Ų12098.8 Ų98.856%0.56149%0.486SS*.Hα-helixtrans-60-40.7175.7-79.4-179.2167.900112.7K182 C183 N190K182-E186 WeakPolarHBondContact O-CB 3.42Å; K182-E186 WeakPolarHBondContact O-CG 3.36Å; K182-E186 PolarHBondContact O-N 2.94Å; C183-E186 PolarHBondContact O-N 3.28Å; E186-N190 WeakPolarHBondContact O-CB 3.25Å; E186-N190 PolarHBondContact O-N 2.84Å; E186-N190 PolarHBondContact O-ND2 3.37Å
187L58.8Low59.7Low102 Ų10295 Ų9553%0.53448%0.478SS..Hα-helixtrans-65.8-42.3177.3-103153.6000112.5C183 A184 K185 R191C183-L187 WeakPolarHBondContact O-CB 3.3Å; C183-L187 PolarHBondContact O-N 3.38Å; A184-L187 PolarHBondContact O-N 3.19Å; K185-L187 PolarHBondContact O-N 3.14Å; L187-R191 WeakPolarHBondContact O-CB 3.48Å; L187-R191 PolarHBondContact O-N 3.28Å
188V65.3Low59.5Low81 Ų8198.5 Ų98.549%0.49150%0.497SS..Hα-helixtrans-69.3-43.6177.4171.80000110.7A184 K185 R191 I192A184-V188 WeakPolarHBondContact O-CG2 3.25Å; A184-V188 PolarHBondContact O-N 2.96Å; K185-V188 PolarHBondContact O-N 2.83Å; V188-R191 PolarHBondContact O-N 2.64Å; V188-R191 VanDerWaalsContact O-N 3.16Å; V188-I192 HydrophobicContact CG1-CD1 3.85Å; V188-I192 HydrophobicContact CG1-CG1 4.44Å; V188-I192 WeakPolarHBondContact O-CG1 3.33Å; V188-I192 PolarHBondContact O-N 2.64Å
189E63.4Low59.7Low126 Ų12699 Ų9959%0.58950%0.503SS*.Hα-helixtrans-65-42.1178.9-154.5169.7-16000111.1K185 R191 I192 C193K185-E189 VanDerWaalsContact O-CB 3.24Å; K185-E189 WeakPolarHBondContact O-CB 3.47Å; K185-E189 PolarHBondContact O-N 3Å; E189-R191 VanDerWaalsContact C-N 3.31Å; E189-R191 PolarHBondContact O-N 3.42Å; E189-I192 PolarHBondContact O-N 2.68Å; E189-C193 WeakPolarHBondContact O-CB 3.33Å; E189-C193 PolarHBondContact O-N 2.97Å; E189-C193 PolarHBondContact O-SG 3.42Å
190N65.5Low59.7Low103 Ų103101.9 Ų101.955%0.55151%0.51SS*.Hα-helixtrans-60.7-38.7171.8-79.1-34000112.4E186 Q194E186-N190 WeakPolarHBondContact O-CB 3.25Å; E186-N190 PolarHBondContact O-N 2.84Å; E186-N190 PolarHBondContact O-ND2 3.37Å; N190-Q194 WeakPolarHBondContact O-CB 3.49Å; N190-Q194 WeakPolarHBondContact O-CG 3.35Å; N190-Q194 PolarHBondContact O-N 3.17Å
191R63.3Low59.7Low170 Ų170100.7 Ų100.764%0.64251%0.509SS*.Hα-helixtrans-72.8-35.8179.6-151.7177.9-93.6-132.5-0.2112L187 V188 E189 N195L187-R191 WeakPolarHBondContact O-CB 3.48Å; L187-R191 PolarHBondContact O-N 3.28Å; V188-R191 PolarHBondContact O-N 2.64Å; V188-R191 VanDerWaalsContact O-N 3.16Å; E189-R191 VanDerWaalsContact C-N 3.31Å; E189-R191 PolarHBondContact O-N 3.42Å; R191-N195 WeakPolarHBondContact O-CB 3.25Å; R191-N195 PolarHBondContact O-N 3.1Å; R191-N195 PolarHBondContact O-ND2 3.4Å
192I68.8Low59.5Low90 Ų90103.6 Ų103.646%0.46253%0.526SS..Hα-helixtrans-68.6-44173.1-66.8169000110.7V188 E189 N195 M196V188-I192 HydrophobicContact CG1-CD1 3.85Å; V188-I192 HydrophobicContact CG1-CG1 4.44Å; V188-I192 WeakPolarHBondContact O-CG1 3.33Å; V188-I192 PolarHBondContact O-N 2.64Å; E189-I192 PolarHBondContact O-N 2.68Å; I192-N195 PolarHBondContact O-N 2.61Å; I192-M196 HydrophobicContact CG2-CE 4.48Å; I192-M196 PolarHBondContact O-N 3.38Å
193C57.7Low59.1Low77 Ų7798.2 Ų98.252%0.5251%0.514SS..Hα-helixtrans-61.2-42.9175.2-79.60000112.1E189 M196 A197E189-C193 WeakPolarHBondContact O-CB 3.33Å; E189-C193 PolarHBondContact O-N 2.97Å; E189-C193 PolarHBondContact O-SG 3.42Å; C193-M196 PolarHBondContact O-N 3.07Å; C193-A197 VanDerWaalsContact O-CB 3.3Å; C193-A197 WeakPolarHBondContact O-CB 3.33Å; C193-A197 PolarHBondContact O-N 3.18Å
194Q61.8Low58.7Low128 Ų12897 Ų9760%0.59851%0.512SS*.Hα-helixtrans-62.7-41.6173.4-80.8-176-13.200112.3N190 A197 N198N190-Q194 WeakPolarHBondContact O-CB 3.49Å; N190-Q194 WeakPolarHBondContact O-CG 3.35Å; N190-Q194 PolarHBondContact O-N 3.17Å; Q194-A197 PolarHBondContact O-N 2.95Å; Q194-N198 WeakPolarHBondContact O-CB 3.19Å; Q194-N198 VanDerWaalsContact O-CG 3.29Å; Q194-N198 PolarHBondContact O-N 3.34Å; Q194-N198 PolarHBondContact O-ND2 3Å
195N62.3Low57.9Low90 Ų90101.5 Ų101.548%0.48153%0.534SS..Hα-helixtrans-67.7-40.3177.9-74.8-17000112.3R191 I192 N198 I199R191-N195 WeakPolarHBondContact O-CB 3.25Å; R191-N195 PolarHBondContact O-N 3.1Å; R191-N195 PolarHBondContact O-ND2 3.4Å; I192-N195 PolarHBondContact O-N 2.61Å; N195-N198 PolarHBondContact O-N 2.98Å; N195-I199 WeakPolarHBondContact O-CD1 3.17Å; N195-I199 WeakPolarHBondContact O-CG1 3.47Å; N195-I199 PolarHBondContact O-N 3.22Å
196M60.3Low57.1Low127 Ų127102.5 Ų102.563%0.62654%0.544SS*.Hα-helixtrans-64.3-41.9172.3-83.8-160.8-164.900112.2I192 C193 I199 Q200I192-M196 HydrophobicContact CG2-CE 4.48Å; I192-M196 PolarHBondContact O-N 3.38Å; C193-M196 PolarHBondContact O-N 3.07Å; M196-I199 PolarHBondContact O-N 3.5Å; M196-Q200 PolarHBondContact O-N 2.99Å
197A59.2Low56.4Low46 Ų46104.9 Ų104.938%0.3855%0.553SS.*Hα-helixtrans-61.7-43.7176.500000111.5C193 Q194 I199 Q200 L201C193-A197 VanDerWaalsContact O-CB 3.3Å; C193-A197 WeakPolarHBondContact O-CB 3.33Å; C193-A197 PolarHBondContact O-N 3.18Å; Q194-A197 PolarHBondContact O-N 2.95Å; A197-I199 VanDerWaalsContact C-N 3.34Å; A197-I199 PolarHBondContact O-N 3.11Å; A197-Q200 PolarHBondContact O-N 3.06Å; A197-L201 WeakPolarHBondContact O-CB 3.4Å; A197-L201 PolarHBondContact O-N 2.95Å
198N57.3Low55.4Low90 Ų90108.1 Ų108.148%0.48157%0.565SS.*Hα-helixtrans-65.4-34.7175.9-75.5-28.5000112.8Q194 N195 N202Q194-N198 WeakPolarHBondContact O-CB 3.19Å; Q194-N198 VanDerWaalsContact O-CG 3.29Å; Q194-N198 PolarHBondContact O-N 3.34Å; Q194-N198 PolarHBondContact O-ND2 3Å; N195-N198 PolarHBondContact O-N 2.98Å; N198-N202 WeakPolarHBondContact O-CB 3.28Å; N198-N202 PolarHBondContact O-N 3.48Å
199I60.2Low53.9Low122 Ų122112.5 Ų112.563%0.62658%0.58SS**Hα-helixtrans-69.4-38.3174.1-69.7165.5000111.2N195 M196 A197 G203N195-I199 WeakPolarHBondContact O-CD1 3.17Å; N195-I199 WeakPolarHBondContact O-CG1 3.47Å; N195-I199 PolarHBondContact O-N 3.22Å; M196-I199 PolarHBondContact O-N 3.5Å; A197-I199 VanDerWaalsContact C-N 3.34Å; A197-I199 PolarHBondContact O-N 3.11Å; I199-G203 WeakPolarHBondContact O-CA 3.27Å; I199-G203 PolarHBondContact O-N 3Å
200Q55.3Low52.5Low157 Ų157110.6 Ų110.673%0.73459%0.586SS**Hα-helixtrans-68.9-37.8174.7-75.3-168.2-12.200112.6M196 A197 G204M196-Q200 PolarHBondContact O-N 2.99Å; A197-Q200 PolarHBondContact O-N 3.06Å; Q200-G204 PolarHBondContact O-N 3.39Å
201L55.3Low50.9Low111 Ų111115.1 Ų115.158%0.58160%0.601SS**Hα-helixtrans-64.2-47.9173.8-93143.7000111.7A197 G204 L205A197-L201 WeakPolarHBondContact O-CB 3.4Å; A197-L201 PolarHBondContact O-N 2.95Å; L201-G204 PolarHBondContact O-N 3.33Å; L201-L205 PolarHBondContact O-N 2.8Å; L201-L205 VanDerWaalsContact O-N 3.08Å
202N50.8Low49.3Very low107 Ų107111.1 Ų111.157%0.57260%0.604SS**Hα-helixtrans-72-31.4177.8-77.1-24.6000113.2N198 N206N198-N202 WeakPolarHBondContact O-CB 3.28Å; N198-N202 PolarHBondContact O-N 3.48Å; N202-N206 PolarHBondContact O-N 3.17Å
203G48.1Very low47.3Very low39 Ų39113.2 Ų113.240%0.40262%0.622SS.*Hα-helixtrans-73.9-26.417300000113.6I199I199-G203 WeakPolarHBondContact O-CA 3.27Å; I199-G203 PolarHBondContact O-N 3Å
204G44.3Very low45.7Very low37 Ų37114.4 Ų114.438%0.38163%0.63SS.*Hα-helixtrans-73.6-40.5172.100000112.6Q200 L201 N206 K207Q200-G204 PolarHBondContact O-N 3.39Å; L201-G204 PolarHBondContact O-N 3.33Å; G204-N206 VanDerWaalsContact C-N 3.28Å; G204-N206 PolarHBondContact O-N 3.22Å; G204-K207 PolarHBondContact O-N 3.11Å
205L41.6Very low43.8Very low107 Ų107114.8 Ų114.856%0.5664%0.642SS**Hα-helixtrans-62.2-31175.5-93.8143.9000113.3L201 K207L201-L205 PolarHBondContact O-N 2.8Å; L201-L205 VanDerWaalsContact O-N 3.08Å; L205-K207 VanDerWaalsContact C-N 3.31Å; L205-K207 PolarHBondContact O-N 3.01Å
206N42.6Very low42.1Very low123 Ų123116.5 Ų116.566%0.65866%0.661SS**THydrogen-bonded Turntrans-75.9-14.1174.4-78.3-11.4000114.1N202 G204N202-N206 PolarHBondContact O-N 3.17Å; G204-N206 VanDerWaalsContact C-N 3.28Å; G204-N206 PolarHBondContact O-N 3.22Å
207K41.5Very low40.3Very low170 Ų170114 Ų11474%0.73967%0.667SS**THydrogen-bonded Turntrans-88.5-18.2177.5-79.4-174.9177.2178.20113.7G204 L205G204-K207 PolarHBondContact O-N 3.11Å; L205-K207 VanDerWaalsContact C-N 3.31Å; L205-K207 PolarHBondContact O-N 3.01Å
208E38Very low38.8Very low169 Ų169117.2 Ų117.279%0.7969%0.694SS**G310 helixtrans-77.6-18.7176.2-99.6179.7114.100113.7
209Q34.9Very low37.1Very low173 Ų173116 Ų11681%0.80870%0.703SS**G310 helixtrans-88.4-5.8175.4-73.5-175.7-20.700114.5
210A34.2Very low35.7Very low87 Ų87117.4 Ų117.472%0.71972%0.718SS**G310 helixtrans-98.22.9-178.600000114.6
211K31.5Very low34.1Very low197 Ų197115.9 Ų115.986%0.85772%0.719SS**  trans-105.242.9-176.4-151.4-179.1-176.1-179.80113.9
212A30.7Very low32.7Very low86 Ų86115 Ų11571%0.71173%0.728SS**SBendtrans-141.890.4162.900000109.3
213T25Very low31.3Very low135 Ų135116.8 Ų116.883%0.82874%0.736SS**  trans162.9139.4147.6-69.50000111.1
214S24.6Very low30.1Very low101 Ų101120 Ų12071%0.70675%0.752SS**  trans79.3114.7173.673.60000115.6
215T23.1Very low29.1Very low137 Ų137125 Ų12584%0.8477%0.768SS**  cis65.8107.440.5-14.80000114.8
216S24.7Very low28.3Very low126 Ų126125.8 Ų125.888%0.88178%0.778SS**  trans33123.9147.5-172.10000120
217G23.2Very low27.3Very low73 Ų73125.9 Ų125.975%0.75378%0.783SS**  trans155.4115.215300000114.2
218A27Very low26.7Very low115 Ų115122.8 Ų122.895%0.9578%0.783SS**  trans-59.8135.6169.700000111.4
219G23Very low26Very low65 Ų65120.8 Ų120.867%0.6778%0.782SS**  trans166.9116.1173.900000112.1T221G219-T221 PolarHBondContact O-N 2.96Å
220T30.8Very low25.6Very low151 Ų151120.9 Ų120.993%0.92679%0.785SS**  trans-57.1121.1172.4-54.10000110.6
221T22.1Very low25Very low125 Ų125123.1 Ų123.177%0.76779%0.79SS**  trans-139.5113.1163.88.80000109.4G219G219-T221 PolarHBondContact O-N 2.96Å
222A24.5Very low24.6Very low92 Ų92119.5 Ų119.576%0.7678%0.784SS**  trans-69.9124.1169.800000109
223I22.5Very low24.1Very low145 Ų145121.4 Ų121.474%0.74479%0.787SS**  trans-109.9107.1168.7-61177.4000106.7I225I223-I225 HydrophobicContact CG2-CD1 4.39Å; I223-I225 HydrophobicContact CG2-CG1 3.99Å
224S22.8Very low24Very low105 Ų105122 Ų12273%0.73479%0.785SS**  trans-84.3117.9171.9-53.60000107.7
225I23.3Very low23.8Very low142 Ų142122.9 Ų122.973%0.72879%0.791SS**  trans-111.1105.9168.9-58.5178.9000107I223I223-I225 HydrophobicContact CG2-CD1 4.39Å; I223-I225 HydrophobicContact CG2-CG1 3.99Å
226T23.7Very low23.8Very low125 Ų125121.5 Ų121.577%0.76778%0.782SS**  trans-84.9107.3173.8-500000108.6
227T23.3Very low23.7Very low125 Ų125122.4 Ų122.477%0.76778%0.782SS**  trans-117.3110.6160.4-52.50000107.5T229T227-T229 PolarHBondContact O-N 3.28Å
228S27.4Very low23.7Very low104 Ų104127.8 Ų127.873%0.72779%0.788SS**  trans-65100.4179.9-51.60000110.2
229T24.5Very low23.4Very low127 Ų127128.3 Ų128.378%0.77978%0.784SS**SBendtrans179.9117.3138-61.80000108.6T227T227-T229 PolarHBondContact O-N 3.28Å
230M25.8Very low23.6Very low175 Ų175130.4 Ų130.486%0.86280%0.796SS**  trans55.299.8165.9-71.6-166.5161.300119.7T232M230-T232 PolarHBondContact O-N 3.15Å
231T21.4Very low23.2Very low134 Ų134127 Ų12782%0.82279%0.791SS**  trans-62.4114.9150.4-46.50000109.9
232T23.8Very low23.2Very low121 Ų121125.3 Ų125.374%0.74280%0.798SS**  trans-116.7107.3153.7-50.90000107M230 L234M230-T232 PolarHBondContact O-N 3.15Å; T232-L234 PolarHBondContact O-N 3.1Å
233T20.4Very low23.1Very low126 Ų126124.9 Ų124.977%0.77380%0.802SS**  trans-62.2114.4169.830.80000109.5
234L22.5Very low23.3Very low148 Ų148122.2 Ų122.278%0.77581%0.81SS**  trans-103.6105.1167-15383.3000108.2T232T232-L234 PolarHBondContact O-N 3.1Å
235S20.5Very low23.3Very low119 Ų119120.4 Ų120.483%0.83281%0.808SS**  trans-85.9112.616847.40000109
236T23.7Very low23.6Very low108 Ų108119 Ų11966%0.66382%0.818SS**  trans-127.5120.1164.342.60000109.9
237T21.5Very low23.7Very low145 Ų145118.7 Ų118.789%0.8982%0.815SS**  trans-62.7124.4170.9420000110.2
238H23.2Very low23.7Very low187 Ų187116.2 Ų116.287%0.86682%0.815SS**  trans-74.6128.5168.1-85.9-89.4000110.6
239S21.8Very low23.6Very low125 Ų125118.8 Ų118.887%0.87482%0.82SS**  trans-114.8135.1148.7-102.90000108.8
240A25.5Very low23.6Very low110 Ų110118.7 Ų118.791%0.90982%0.823SS**  trans-72.1148.2-167.100000114.1
241G22.8Very low23.5Very low80 Ų80116.3 Ų116.383%0.82582%0.824SS**  trans177.1108.3166.200000110.6
242G22.5Very low23.5Very low89 Ų89113.5 Ų113.592%0.91882%0.821SS**  trans-80.9168.9-175.600000114.7
243G22.3Very low24Very low82 Ų82114.3 Ų114.385%0.84583%0.829SS**  trans142.5110.616900000112
244G27.5Very low24.3Very low89 Ų89112 Ų11292%0.91883%0.83SS**  trans-72.3151.1179.700000113.6
245G22.5Very low24.3Very low67 Ų67109.3 Ų109.369%0.69183%0.829SS**  trans169.1118.7171.700000110.3V247G245-V247 PolarHBondContact O-N 3.27Å
246A30Very low24.5Very low112 Ų112110.9 Ų110.993%0.92683%0.826SS**  trans-61.8131.1174.600000110.3
247V24Very low24.5Very low119 Ų119111.1 Ų111.172%0.72183%0.827SS**  trans-127.1111.1173.3-173.90000108.3G245 L249G245-V247 PolarHBondContact O-N 3.27Å; V247-L249 HydrophobicContact CG1-CD1 4.2Å; V247-L249 PolarHBondContact O-N 3.46Å
248G24.8Very low24.5Very low74 Ų74111.6 Ų111.676%0.76382%0.819SS**  trans-67123.4163.700000109.2C250G248-C250 PolarHBondContact O-N 2.91Å
249L24.1Very low24.6Very low157 Ų157110.3 Ų110.382%0.82282%0.816SS**SBendtrans-9389.1173.2-98.879.8000109V247V247-L249 HydrophobicContact CG1-CD1 4.2Å; V247-L249 PolarHBondContact O-N 3.46Å
250C24.8Very low24.7Very low125 Ų125107.9 Ų107.985%0.84580%0.803SS**  trans-165.668.9153.1-102.10000108.1G248G248-C250 PolarHBondContact O-N 2.91Å
251S23.2Very low24.6Very low126 Ų126105.6 Ų105.688%0.88178%0.779SS**SBendtrans-163111.1168-72.30000110.4
252G23Very low25.3Very low75 Ų75107.4 Ų107.477%0.77377%0.77SS**  trans95.8146.4154.200000117.8
253P33.9Very low25.6Very low138 Ų138109.3 Ų109.390%0.89676%0.758SS**  trans-94.7129.1-154.936-27.9000111.6
254G26.5Very low26Very low77 Ų77109.1 Ų109.179%0.79474%0.738SS**  trans167.841.8-179.400000116.5
255A22.1Very low26.3Very low91 Ų91107.7 Ų107.775%0.75272%0.718SS**  trans-148.282.9157.700000106.6V257A255-V257 PolarHBondContact O-N 2.8Å
256I23.9Very low26.8Very low152 Ų152109.5 Ų109.578%0.77971%0.708SS**  trans-63.892.5166.9-5.4175.4000105.3Q258I256-Q258 PolarHBondContact O-N 3.21Å
257V24.3Very low26.9Very low114 Ų114106.3 Ų106.369%0.69168%0.682SS**  trans-64.1101.9149.2176.70000103A255 M259A255-V257 PolarHBondContact O-N 2.8Å; V257-M259 HydrophobicContact CG1-CG 4.39Å; V257-M259 PolarHBondContact O-N 3.3Å
258Q21.8Very low27.1Very low154 Ų154107 Ų10772%0.7268%0.677SS**  trans-63.382.3171.1-16798.812.800106.8I256 A260I256-Q258 PolarHBondContact O-N 3.21Å; Q258-A260 PolarHBondContact O-N 3.39Å
259M25.3Very low27.7Very low160 Ų160104.2 Ų104.279%0.78865%0.646SS**PPolyproline II helixtrans-67.1118.6150.3-71.4-173-161.100104.5V257V257-M259 HydrophobicContact CG1-CG 4.39Å; V257-M259 PolarHBondContact O-N 3.3Å
260A24.4Very low28.3Very low74 Ų7498.8 Ų98.861%0.61262%0.617SS**PPolyproline II helixtrans-48.8138.1170.700000108.5Q258 L262Q258-A260 PolarHBondContact O-N 3.39Å; A260-L262 PolarHBondContact O-N 2.89Å
261P22.7Very low28.6Very low63 Ų6397.2 Ų97.241%0.40960%0.603SS.*PPolyproline II helixtrans-51.8128.2177.3-20.430.7000109.6D263 D264P261-D263 HydrophobicContact CB-CB 4.06Å; P261-D263 PolarHBondContact O-N 3.46Å; P261-D263 VanDerWaalsContact O-N 3.14Å; P261-D264 PolarHBondContact O-N 3.15Å
262L37.1Very low28.9Very low118 Ų11893.6 Ų93.662%0.61858%0.581SS**THydrogen-bonded Turntrans-61.7-12.9166.9-79.3163.2000111.8A260 D264 A265A260-L262 PolarHBondContact O-N 2.89Å; L262-D264 PolarHBondContact O-N 3.44Å; L262-A265 PolarHBondContact O-N 3.01Å
263D30.1Very low29.6Very low128 Ų12893.7 Ų93.768%0.68457%0.566SS**Hα-helixtrans-63.3-27172-62.6-22.2000111.7P261 A267P261-D263 HydrophobicContact CB-CB 4.06Å; P261-D263 PolarHBondContact O-N 3.46Å; P261-D263 VanDerWaalsContact O-N 3.14Å; D263-A267 WeakPolarHBondContact O-CB 3.22Å; D263-A267 PolarHBondContact O-N 3.43Å
264D29.8Very low29.5Very low78 Ų7890 Ų9042%0.41755%0.547SS..Hα-helixtrans-85.8-21.9-179.4-62.1-39.6000112.1P261 L262 E268P261-D264 PolarHBondContact O-N 3.15Å; L262-D264 PolarHBondContact O-N 3.44Å; D264-E268 HydrophobicContact CB-CG 4.43Å; D264-E268 VanDerWaalsContact O-CA 3.29Å; D264-E268 WeakPolarHBondContact O-CA 3.29Å; D264-E268 WeakPolarHBondContact O-CB 3.11Å; D264-E268 WeakPolarHBondContact O-CG 3.33Å; D264-E268 PolarHBondContact O-N 2.87Å
265A34.6Very low29.5Very low60 Ų6088.3 Ų88.350%0.49653%0.526SS..Hα-helixtrans-78-34-178.900000113.7L262 S269L262-A265 PolarHBondContact O-N 3.01Å; A265-S269 WeakPolarHBondContact O-CB 3.29Å; A265-S269 PolarHBondContact O-N 2.96Å; A265-S269 PolarHBondContact O-OG 3.05Å
266E32.8Very low30Very low104 Ų10486.1 Ų86.149%0.48651%0.508SS..Hα-helixtrans-86-34.8173.3-80.1170.8151.700111.5S269 H270E266-S269 WeakPolarHBondContact CA-OG 3.42Å; E266-S269 PolarHBondContact O-N 3.24Å; E266-S269 PolarHBondContact O-OG 3.44Å; E266-S269 VanDerWaalsContact O-OG 3.04Å; E266-H270 PolarHBondContact O-CD2 3.04Å; E266-H270 VanDerWaalsContact O-CD2 3.25Å; E266-H270 PolarHBondContact O-N 3.27Å
267A30.8Very low30.5Very low45 Ų4582.4 Ų82.437%0.37249%0.489SS..Hα-helixtrans-70-41.6171.700000111.6D263 S269 V271D263-A267 WeakPolarHBondContact O-CB 3.22Å; D263-A267 PolarHBondContact O-N 3.43Å; A267-S269 VanDerWaalsContact C-N 3.27Å; A267-S269 PolarHBondContact O-N 3.1Å; A267-V271 WeakPolarHBondContact O-CA 3.35Å; A267-V271 WeakPolarHBondContact O-CB 3.47Å; A267-V271 WeakPolarHBondContact O-CG2 3.25Å; A267-V271 PolarHBondContact O-N 2.82Å
268E29.7Very low30.6Very low134 Ų13485.5 Ų85.563%0.62650%0.496SS*.Hα-helixtrans-69.1-21.1171.9-69.1177.4165.300111.7D264 A272D264-E268 HydrophobicContact CB-CG 4.43Å; D264-E268 VanDerWaalsContact O-CA 3.29Å; D264-E268 WeakPolarHBondContact O-CA 3.29Å; D264-E268 WeakPolarHBondContact O-CB 3.11Å; D264-E268 WeakPolarHBondContact O-CG 3.33Å; D264-E268 PolarHBondContact O-N 2.87Å; E268-A272 VanDerWaalsContact O-CA 3.23Å; E268-A272 WeakPolarHBondContact O-CA 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.44Å; E268-A272 PolarHBondContact O-N 3.34Å
269S37.2Very low30.7Very low15 Ų1580.7 Ų80.711%0.10549%0.488CS..Hα-helixtrans-83-37.4174.572.10000113A265 E266 A267 A272 V273A265-S269 WeakPolarHBondContact O-CB 3.29Å; A265-S269 PolarHBondContact O-N 2.96Å; A265-S269 PolarHBondContact O-OG 3.05Å; E266-S269 WeakPolarHBondContact CA-OG 3.42Å; E266-S269 PolarHBondContact O-N 3.24Å; E266-S269 PolarHBondContact O-OG 3.44Å; E266-S269 VanDerWaalsContact O-OG 3.04Å; A267-S269 VanDerWaalsContact C-N 3.27Å; A267-S269 PolarHBondContact O-N 3.1Å; S269-A272 CarbonylContact O-C 3.59Å; S269-A272 PolarHBondContact O-N 2.94Å; S269-V273 WeakPolarHBondContact O-CB 3.37Å; S269-V273 WeakPolarHBondContact O-CG2 3.32Å; S269-V273 PolarHBondContact O-N 2.96Å
270H35.5Very low31.1Very low44 Ų4477.1 Ų77.120%0.20447%0.466CS..Hα-helixtrans-77.3-33173.6-75-78.4000112.1N66 E266 A274N66-H270 HydrophobicContact CB-CB 4.28Å; N66-H270 WeakPolarHBondContact ND2-CB 3.33Å; E266-H270 PolarHBondContact O-CD2 3.04Å; E266-H270 VanDerWaalsContact O-CD2 3.25Å; E266-H270 PolarHBondContact O-N 3.27Å; H270-A274 WeakPolarHBondContact O-CB 3.5Å; H270-A274 PolarHBondContact O-N 3.02Å
271V32.5Very low31.1Very low91 Ų9182.8 Ų82.855%0.55248%0.477SS*.Hα-helixtrans-74.7-26.6165.9178.90000110.9A267 A275A267-V271 WeakPolarHBondContact O-CA 3.35Å; A267-V271 WeakPolarHBondContact O-CB 3.47Å; A267-V271 WeakPolarHBondContact O-CG2 3.25Å; A267-V271 PolarHBondContact O-N 2.82Å; V271-A275 HydrophobicContact CG1-CB 4.39Å; V271-A275 WeakPolarHBondContact O-CA 3.09Å; V271-A275 WeakPolarHBondContact O-CB 3.45Å; V271-A275 PolarHBondContact O-N 3.24Å
272A29.7Very low31.7Very low51 Ų5188.3 Ų88.342%0.42150%0.497SS..Hα-helixtrans-82.8-17.4169.900000112.8E268 S269 A276E268-A272 VanDerWaalsContact O-CA 3.23Å; E268-A272 WeakPolarHBondContact O-CA 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.44Å; E268-A272 PolarHBondContact O-N 3.34Å; S269-A272 CarbonylContact O-C 3.59Å; S269-A272 PolarHBondContact O-N 2.94Å; A272-A276 VanDerWaalsContact O-CA 3.29Å; A272-A276 WeakPolarHBondContact O-CA 3.28Å; A272-A276 WeakPolarHBondContact O-CB 3.41Å; A272-A276 PolarHBondContact O-N 3.17Å
273V37.8Very low31.6Very low77 Ų7790.6 Ų90.647%0.46750%0.504SS..Hα-helixtrans-79.6-41.7166.3170.30000109.2S269 D277S269-V273 WeakPolarHBondContact O-CB 3.37Å; S269-V273 WeakPolarHBondContact O-CG2 3.32Å; S269-V273 PolarHBondContact O-N 2.96Å; V273-D277 PolarHBondContact O-N 3.41Å
274A30.8Very low32.2Very low60 Ų6086 Ų8650%0.49649%0.487SS..Hα-helixtrans-71.9-32.317300000113.8H270 D277 E278H270-A274 WeakPolarHBondContact O-CB 3.5Å; H270-A274 PolarHBondContact O-N 3.02Å; A274-D277 WeakPolarHBondContact O-CB 3.42Å; A274-D277 PolarHBondContact O-N 2.82Å; A274-E278 PolarHBondContact O-N 3.01Å
275A26.9Very low33.1Very low42 Ų4285.2 Ų85.235%0.34748%0.478SS..Hα-helixtrans-93.6-15.2175.300000112.4V271 G279V271-A275 HydrophobicContact CG1-CB 4.39Å; V271-A275 WeakPolarHBondContact O-CA 3.09Å; V271-A275 WeakPolarHBondContact O-CB 3.45Å; V271-A275 PolarHBondContact O-N 3.24Å; A275-G279 WeakPolarHBondContact O-CA 3.28Å; A275-G279 PolarHBondContact O-N 3.49Å
276A32.3Very low33.8Very low45 Ų4585 Ų8537%0.37247%0.473SS..Hα-helixtrans-74.1-19.9156.300000111.3A272 G279 R280A272-A276 VanDerWaalsContact O-CA 3.29Å; A272-A276 WeakPolarHBondContact O-CA 3.28Å; A272-A276 WeakPolarHBondContact O-CB 3.41Å; A272-A276 PolarHBondContact O-N 3.17Å; A276-G279 CarbonylContact O-C 3.55Å; A276-R280 PolarHBondContact O-N 3.21Å
277D34.3Very low34.9Very low73 Ų7381 Ų8139%0.3946%0.455SS..Hα-helixtrans-77.6-39.2165.9-161.750.7000111.2V273 A274 G279 R280V273-D277 PolarHBondContact O-N 3.41Å; A274-D277 WeakPolarHBondContact O-CB 3.42Å; A274-D277 PolarHBondContact O-N 2.82Å; D277-G279 VanDerWaalsContact C-N 3.27Å; D277-G279 PolarHBondContact O-N 3.23Å; D277-R280 VanDerWaalsContact O-CB 3.23Å; D277-R280 WeakPolarHBondContact O-CB 3.18Å; D277-R280 PolarHBondContact O-N 3.14Å
278E26.7Very low36.2Very low179 Ų17987.3 Ų87.384%0.83648%0.482SS*.Hα-helixtrans-67.7-27.4167.8-69.2-167.9150.300113.1A274A274-E278 PolarHBondContact O-N 3.01Å
279G23.3Very low37.5Very low53 Ų5384.2 Ų84.255%0.54648%0.475SS..THydrogen-bonded Turntrans-91.87.117400000114.1A275 A276 D277 K281A275-G279 WeakPolarHBondContact O-CA 3.28Å; A275-G279 PolarHBondContact O-N 3.49Å; A276-G279 CarbonylContact O-C 3.55Å; D277-G279 VanDerWaalsContact C-N 3.27Å; D277-G279 PolarHBondContact O-N 3.23Å; G279-K281 PolarHBondContact O-N 3.37Å
280R33.1Very low39Very low86 Ų8688.5 Ų88.533%0.32549%0.489SS..  trans-67.880.1167-165.7171-172.2179.21.5107E49 A276 D277 E282 E283E49-R280 IonicContact OE1-NH2 3.5Å; E49-R280 PolarHBondContact OE1-NH2 3.5Å; E49-R280 IonicContact OE2-NH2 3.58Å; A276-R280 PolarHBondContact O-N 3.21Å; D277-R280 VanDerWaalsContact O-CB 3.23Å; D277-R280 WeakPolarHBondContact O-CB 3.18Å; D277-R280 PolarHBondContact O-N 3.14Å; R280-E282 PolarHBondContact O-N 3.03Å; R280-E283 PolarHBondContact NH2-O 3.26Å
281K26.3Very low40.6Very low193 Ų19387.5 Ų87.584%0.83949%0.487SS*.  trans-45.6115.6143.7-81.7-175.5178.7174.60104.2G279 E283G279-K281 PolarHBondContact O-N 3.37Å; K281-E283 VanDerWaalsContact C-N 3.26Å; K281-E283 PolarHBondContact O-N 3.36Å
282E34Very low42.1Very low179 Ų17990.9 Ų90.984%0.83649%0.494SS*.  trans-41.681.7-169.8-63.8179.4145.600113.2R280 G284R280-E282 PolarHBondContact O-N 3.03Å; E282-G284 PolarHBondContact O-N 3.48Å; E282-G284 VanDerWaalsContact O-N 3.16Å
283E35.5Very low43.9Very low166 Ų16696.4 Ų96.478%0.77652%0.517SS*.  trans-84.646.4157.5-70.3-167.9167.400107.5R280 K281R280-E283 PolarHBondContact NH2-O 3.26Å; K281-E283 VanDerWaalsContact C-N 3.26Å; K281-E283 PolarHBondContact O-N 3.36Å
284G42.6Very low45.6Very low30 Ų3099.4 Ų99.431%0.30952%0.524SS..SBendtrans-85139161.600000107.3E282 S286E282-G284 PolarHBondContact O-N 3.48Å; E282-G284 VanDerWaalsContact O-N 3.16Å; G284-S286 PolarHBondContact O-N 2.88Å; G284-S286 PolarHBondContact O-OG 3.49Å
285Y48.9Very low47.8Very low62 Ų62100.7 Ų100.724%0.24353%0.529CS..  trans-51.6106.5173.6-170-88.4000109.9L287 W302 I305 W306 H309Y285-L287 HydrophobicContact CD1-CD2 4.01Å; Y285-L287 HydrophobicContact CD1-CG 4.48Å; Y285-L287 HydrophobicContact CE1-CD2 4.06Å; Y285-L287 PolarHBondContact O-N 3.44Å; Y285-W302 AromaticContact CE1-CD1 3.89Å; Y285-W302 AromaticContact CE1-NE1 3.57Å; Y285-W302 AromaticContact CE2-CD1 3.5Å; Y285-W302 HydrophobicContact CE2-CG 4.23Å; Y285-W302 AromaticContact CZ-CD1 3.23Å; Y285-W302 AromaticContact CZ-CG 3.77Å; Y285-W302 AromaticContact CZ-NE1 3.42Å; Y285-W302 VanDerWaalsContact OH-C 3.27Å; Y285-W302 WeakPolarHBondContact OH-CA 3.4Å; Y285-W302 PolarHBondContact OH-NE1 3.23Å; Y285-W302 PolarHBondContact OH-O 3.27Å; Y285-I305 HydrophobicContact CE2-CB 4.49Å; Y285-W306 HydrophobicContact CE1-CB 4.45Å; Y285-W306 PolarHBondContact OH-N 3.37Å; Y285-H309 HydrophobicContact CD1-CB 4.09Å; Y285-H309 AromaticContact CD1-CD2 3.42Å; Y285-H309 VanDerWaalsContact CD1-CD2 3.42Å; Y285-H309 WeakPolarHBondContact CD1-CD2 3.47Å; Y285-H309 AromaticContact CD1-CG 3.79Å; Y285-H309 AromaticContact CD1-NE2 3.98Å; Y285-H309 AromaticContact CD2-CD2 3.74Å; Y285-H309 AromaticContact CD2-NE2 3.6Å; Y285-H309 HydrophobicContact CE1-CB 4.29Å; Y285-H309 AromaticContact CE1-CD2 3.63Å; Y285-H309 AromaticContact CE2-CD2 3.92Å; Y285-H309 AromaticContact CG-CD2 3.46Å; Y285-H309 VanDerWaalsContact CG-CD2 3.46Å; Y285-H309 AromaticContact CG-NE2 3.5Å; Y285-H309 AromaticContact CZ-CD2 3.84Å
286S50Low50.3Low56 Ų56103.5 Ų103.539%0.39255%0.545SS..  trans-77.198.8-176.6-69.10000108.8G284 L288 S289 W302G284-S286 PolarHBondContact O-N 2.88Å; G284-S286 PolarHBondContact O-OG 3.49Å; S286-L288 PolarHBondContact O-N 3.11Å; S286-L288 VanDerWaalsContact O-N 3.14Å; S286-S289 WeakPolarHBondContact CB-OG 3.41Å; S286-S289 PolarHBondContact O-N 3.01Å; S286-W302 PolarHBondContact O-NE1 2.85Å
287L56Low52.4Low21 Ų21108.6 Ų108.611%0.1156%0.559CS.*SBendtrans-57.4-26.7178.9-76.8178.7000113.6Y285 W306 H309 R313Y285-L287 HydrophobicContact CD1-CD2 4.01Å; Y285-L287 HydrophobicContact CD1-CG 4.48Å; Y285-L287 HydrophobicContact CE1-CD2 4.06Å; Y285-L287 PolarHBondContact O-N 3.44Å; L287-W306 PolarHBondContact O-NE1 2.95Å; L287-H309 HydrophobicContact CD2-CB 3.52Å; L287-H309 HydrophobicContact CG-CB 4.48Å; L287-R313 HydrophobicContact CD1-CB 4.19Å; L287-R313 HydrophobicContact CD1-CG 4.31Å
288L56.4Low54.3Low176 Ų176106.7 Ų106.792%0.92155%0.553SS**SBendtrans-105.8-14.7-171.1-134.275.7000113.8S286S286-L288 PolarHBondContact O-N 3.11Å; S286-L288 VanDerWaalsContact O-N 3.14Å
289S56.8Low56.7Low69 Ų69100.1 Ų100.148%0.48352%0.523SS..  trans-106.2101.4177.360.90000110.3S286S286-S289 WeakPolarHBondContact CB-OG 3.41Å; S286-S289 PolarHBondContact O-N 3.01Å
290Y69.1Low59.4Low105 Ų105103.3 Ų103.341%0.41252%0.522SS..  trans-64125.8171.8177.7-100.6000109.6K292 Q299 W302Y290-K292 VanDerWaalsContact C-N 3.33Å; Y290-K292 HydrophobicContact CD1-CG 3.55Å; Y290-K292 HydrophobicContact CE1-CG 3.98Å; Y290-K292 PolarHBondContact O-N 3.1Å; Y290-Q299 HydrophobicContact CE1-CG 4.44Å; Y290-Q299 HydrophobicContact CE2-CB 4.46Å; Y290-Q299 PolarHBondContact OH-OE1 3.4Å; Y290-W302 HydrophobicContact CD2-CD2 4.42Å; Y290-W302 AromaticContact CD2-CE3 3.77Å; Y290-W302 HydrophobicContact CD2-CE3 3.77Å; Y290-W302 HydrophobicContact CD2-CH2 4.34Å; Y290-W302 AromaticContact CD2-CZ3 3.74Å; Y290-W302 HydrophobicContact CD2-CZ3 3.74Å; Y290-W302 HydrophobicContact CE2-CE3 4.26Å; Y290-W302 HydrophobicContact CE2-CZ3 4.49Å
291P68.7Low61.4Low24 Ų24101.5 Ų101.516%0.15652%0.52CS..  trans-75.981.1-175.929.9-34.4000111.4D293 K294 Q299 W302P291-D293 PolarHBondContact O-N 2.92Å; P291-K294 HydrophobicContact CB-CB 4.21Å; P291-K294 HydrophobicContact CB-CD 4.02Å; P291-K294 HydrophobicContact CB-CG 4.02Å; P291-Q299 WeakPolarHBondContact O-CG 3.32Å; P291-Q299 PolarHBondContact O-NE2 2.92Å; P291-W302 HydrophobicContact CG-CB 4.12Å; P291-W302 HydrophobicContact CG-CG 3.97Å
292K65.1Low64Low162 Ų16294.1 Ų94.170%0.70449%0.487SS*.THydrogen-bonded Turntrans-64-28177.1-67.1-172.3179.5-1800113.1Y290 Q299Y290-K292 VanDerWaalsContact C-N 3.33Å; Y290-K292 HydrophobicContact CD1-CG 3.55Å; Y290-K292 HydrophobicContact CE1-CG 3.98Å; Y290-K292 PolarHBondContact O-N 3.1Å; K292-Q299 PolarHBondContact O-NE2 2.93Å; K292-Q299 VanDerWaalsContact O-NE2 3.13Å
293D67.5Low66.3Low167 Ų16790.8 Ų90.889%0.89347%0.474SS*.THydrogen-bonded Turntrans-94.10.9-172.2-52-46.7000114.1P291P291-D293 PolarHBondContact O-N 2.92Å
294K72.7Confident68.6Low140 Ų14086.3 Ų86.361%0.60946%0.455SS*.SBendtrans-98.3162.7178.7-63.3-167.7179.4-175.10111.9P291 A298 Q299P291-K294 HydrophobicContact CB-CB 4.21Å; P291-K294 HydrophobicContact CB-CD 4.02Å; P291-K294 HydrophobicContact CB-CG 4.02Å; K294-A298 HydrophobicContact CB-CB 3.85Å; K294-A298 HydrophobicContact CD-CB 4.36Å; K294-Q299 PolarHBondContact O-NE2 2.87Å
295S78.4Confident70.5Confident87 Ų8786.6 Ų86.661%0.60845%0.449SS*.  trans-50.8147.6175.6179.50000112F297 A298 Q299S295-F297 PolarHBondContact O-N 2.67Å; S295-F297 VanDerWaalsContact O-N 3.1Å; S295-A298 WeakPolarHBondContact O-CA 3.43Å; S295-A298 WeakPolarHBondContact O-CB 3.32Å; S295-A298 PolarHBondContact O-N 3.34Å; S295-Q299 PolarHBondContact O-N 3.05Å; S295-Q299 VanDerWaalsContact O-N 3.11Å
296C78.9Confident72.4Confident100 Ų10087.7 Ų87.768%0.67645%0.453SS*.Hα-helixtrans-51.6-35.7177.5-177.80000112.2Q299 F300C296-Q299 PolarHBondContact O-N 3.37Å; C296-F300 PolarHBondContact O-N 3.23Å
297F76.8Confident74.2Confident152 Ų15287.7 Ų87.767%0.66745%0.452SS*.Hα-helixtrans-61.6-44.6174.1-177-101000112.4S295 Q299 F300 T301S295-F297 PolarHBondContact O-N 2.67Å; S295-F297 VanDerWaalsContact O-N 3.1Å; F297-Q299 VanDerWaalsContact C-N 3.33Å; F297-Q299 PolarHBondContact O-N 3.34Å; F297-F300 PolarHBondContact O-N 3.05Å; F297-T301 PolarHBondContact O-N 3.24Å; F297-T301 PolarHBondContact O-OG1 3.43Å
298A72.9Confident75.7Confident34 Ų3486.9 Ų86.928%0.28145%0.447SS..Hα-helixtrans-67.5-34.4178.900000112.3K294 S295 W302K294-A298 HydrophobicContact CB-CB 3.85Å; K294-A298 HydrophobicContact CD-CB 4.36Å; S295-A298 WeakPolarHBondContact O-CA 3.43Å; S295-A298 WeakPolarHBondContact O-CB 3.32Å; S295-A298 PolarHBondContact O-N 3.34Å; A298-W302 WeakPolarHBondContact O-CB 3.12Å; A298-W302 PolarHBondContact O-N 2.86Å
299Q77.7Confident77Confident40 Ų4079.5 Ų79.519%0.18741%0.408CS..Hα-helixtrans-65.4-41.8173.7-71.9173.1-5.100111.9Y290 P291 K292 K294 S295 C296 F297 W302 L303Y290-Q299 HydrophobicContact CE1-CG 4.44Å; Y290-Q299 HydrophobicContact CE2-CB 4.46Å; Y290-Q299 PolarHBondContact OH-OE1 3.4Å; P291-Q299 WeakPolarHBondContact O-CG 3.32Å; P291-Q299 PolarHBondContact O-NE2 2.92Å; K292-Q299 PolarHBondContact O-NE2 2.93Å; K292-Q299 VanDerWaalsContact O-NE2 3.13Å; K294-Q299 PolarHBondContact O-NE2 2.87Å; S295-Q299 PolarHBondContact O-N 3.05Å; S295-Q299 VanDerWaalsContact O-N 3.11Å; C296-Q299 PolarHBondContact O-N 3.37Å; F297-Q299 VanDerWaalsContact C-N 3.33Å; F297-Q299 PolarHBondContact O-N 3.34Å; Q299-W302 PolarHBondContact O-N 2.93Å; Q299-L303 PolarHBondContact O-N 3.23Å
300F80.5Confident78.4Confident121 Ų12179.3 Ų79.353%0.53140%0.401SS..Hα-helixtrans-67.1-45.8176.8179.7-104.3000112.1C296 F297 W302 L303 I304C296-F300 PolarHBondContact O-N 3.23Å; F297-F300 PolarHBondContact O-N 3.05Å; F300-W302 VanDerWaalsContact C-N 3.28Å; F300-W302 PolarHBondContact O-N 3.42Å; F300-L303 WeakPolarHBondContact O-CB 3.5Å; F300-L303 PolarHBondContact O-N 3.05Å; F300-L303 VanDerWaalsContact O-N 3.1Å; F300-I304 HydrophobicContact CD1-CD1 3.97Å; F300-I304 HydrophobicContact CE1-CD1 3.33Å; F300-I304 HydrophobicContact CE1-CG1 4.4Å; F300-I304 HydrophobicContact CE2-CD1 4.24Å; F300-I304 HydrophobicContact CZ-CD1 3.5Å; F300-I304 HydrophobicContact CZ-CG1 4.36Å; F300-I304 PolarHBondContact O-N 3.46Å; F300-I304 VanDerWaalsContact O-N 3.12Å
301T75.4Confident79.3Confident48 Ų4878.3 Ų78.329%0.29440%0.403SS..Hα-helixtrans-59.7-40.1174-55.40000111.3F297 L303 I304 I305F297-T301 PolarHBondContact O-N 3.24Å; F297-T301 PolarHBondContact O-OG1 3.43Å; T301-L303 PolarHBondContact O-N 3.21Å; T301-I304 PolarHBondContact O-N 2.83Å; T301-I305 HydrophobicContact CG2-CD1 3.56Å; T301-I305 HydrophobicContact CG2-CG1 4.24Å; T301-I305 VanDerWaalsContact O-CG1 3.31Å; T301-I305 WeakPolarHBondContact O-CG1 3.47Å; T301-I305 PolarHBondContact O-N 3.5Å
302W80.9Confident80.2Confident37 Ų3777.3 Ų77.314%0.1440%0.396CS..Hα-helixtrans-60.6-44.1173.6-173.696.5000111.4Y285 S286 Y290 P291 A298 Q299 F300 I304 I305 W306Y285-W302 AromaticContact CE1-CD1 3.89Å; Y285-W302 AromaticContact CE1-NE1 3.57Å; Y285-W302 AromaticContact CE2-CD1 3.5Å; Y285-W302 HydrophobicContact CE2-CG 4.23Å; Y285-W302 AromaticContact CZ-CD1 3.23Å; Y285-W302 AromaticContact CZ-CG 3.77Å; Y285-W302 AromaticContact CZ-NE1 3.42Å; Y285-W302 VanDerWaalsContact OH-C 3.27Å; Y285-W302 WeakPolarHBondContact OH-CA 3.4Å; Y285-W302 PolarHBondContact OH-NE1 3.23Å; Y285-W302 PolarHBondContact OH-O 3.27Å; S286-W302 PolarHBondContact O-NE1 2.85Å; Y290-W302 HydrophobicContact CD2-CD2 4.42Å; Y290-W302 AromaticContact CD2-CE3 3.77Å; Y290-W302 HydrophobicContact CD2-CE3 3.77Å; Y290-W302 HydrophobicContact CD2-CH2 4.34Å; Y290-W302 AromaticContact CD2-CZ3 3.74Å; Y290-W302 HydrophobicContact CD2-CZ3 3.74Å; Y290-W302 HydrophobicContact CE2-CE3 4.26Å; Y290-W302 HydrophobicContact CE2-CZ3 4.49Å; P291-W302 HydrophobicContact CG-CB 4.12Å; P291-W302 HydrophobicContact CG-CG 3.97Å; A298-W302 WeakPolarHBondContact O-CB 3.12Å; A298-W302 PolarHBondContact O-N 2.86Å; Q299-W302 PolarHBondContact O-N 2.93Å; F300-W302 VanDerWaalsContact C-N 3.28Å; F300-W302 PolarHBondContact O-N 3.42Å; W302-I304 VanDerWaalsContact C-N 3.27Å; W302-I304 PolarHBondContact O-N 2.94Å; W302-I305 PolarHBondContact O-N 3.47Å; W302-W306 AromaticContact CE2-CD1 3.92Å; W302-W306 HydrophobicContact CE3-CB 4.37Å; W302-W306 AromaticContact CH2-CD1 3.24Å; W302-W306 AromaticContact CH2-CG 3.99Å; W302-W306 HydrophobicContact CH2-CG 3.99Å; W302-W306 AromaticContact CH2-NE1 3.58Å; W302-W306 AromaticContact CZ2-CD1 3.32Å; W302-W306 HydrophobicContact CZ2-CG 4.32Å; W302-W306 AromaticContact CZ2-NE1 3.82Å; W302-W306 HydrophobicContact CZ3-CB 4.34Å; W302-W306 AromaticContact CZ3-CD1 3.81Å; W302-W306 HydrophobicContact CZ3-CG 4.14Å; W302-W306 WeakPolarHBondContact O-CB 3.4Å; W302-W306 PolarHBondContact O-N 3.09Å
303L82.6Confident81.1Confident109 Ų10976.6 Ų76.657%0.57139%0.389SS*.Hα-helixtrans-59-39.7177.8-169.377.4000112.4Q299 F300 T301 P307Q299-L303 PolarHBondContact O-N 3.23Å; F300-L303 WeakPolarHBondContact O-CB 3.5Å; F300-L303 PolarHBondContact O-N 3.05Å; F300-L303 VanDerWaalsContact O-N 3.1Å; T301-L303 PolarHBondContact O-N 3.21Å; L303-P307 WeakPolarHBondContact O-CD 3.41Å
304I82.6Confident82Confident73 Ų7375.1 Ų75.137%0.37438%0.38SS..Hα-helixtrans-72.2-42.1-179.3-68.6177.5000112.2Y38 F300 T301 W302 P307Y38-I304 HydrophobicContact CD2-CG2 4.14Å; Y38-I304 HydrophobicContact CE2-CG2 4.06Å; Y38-I304 WeakPolarHBondContact CE2-O 3.42Å; F300-I304 HydrophobicContact CD1-CD1 3.97Å; F300-I304 HydrophobicContact CE1-CD1 3.33Å; F300-I304 HydrophobicContact CE1-CG1 4.4Å; F300-I304 HydrophobicContact CE2-CD1 4.24Å; F300-I304 HydrophobicContact CZ-CD1 3.5Å; F300-I304 HydrophobicContact CZ-CG1 4.36Å; F300-I304 PolarHBondContact O-N 3.46Å; F300-I304 VanDerWaalsContact O-N 3.12Å; T301-I304 PolarHBondContact O-N 2.83Å; W302-I304 VanDerWaalsContact C-N 3.27Å; W302-I304 PolarHBondContact O-N 2.94Å; I304-P307 VanDerWaalsContact O-CD 3.27Å; I304-P307 WeakPolarHBondContact O-CD 2.98Å
305I83.8Confident82.7Confident35 Ų3570 Ų7018%0.17936%0.363CS..Hα-helixtrans-82.8-20.8-175.2-54.5176000111.1V41 V45 Y285 T301 W302 I308 H309V41-I305 HydrophobicContact CG1-CD1 4.4Å; V41-I305 HydrophobicContact CG1-CG1 4.17Å; V41-I305 HydrophobicContact CG1-CG2 4.42Å; V45-I305 HydrophobicContact CG2-CG2 4.38Å; Y285-I305 HydrophobicContact CE2-CB 4.49Å; T301-I305 HydrophobicContact CG2-CD1 3.56Å; T301-I305 HydrophobicContact CG2-CG1 4.24Å; T301-I305 VanDerWaalsContact O-CG1 3.31Å; T301-I305 WeakPolarHBondContact O-CG1 3.47Å; T301-I305 PolarHBondContact O-N 3.5Å; W302-I305 PolarHBondContact O-N 3.47Å; I305-I308 WeakPolarHBondContact O-CB 3.16Å; I305-I308 PolarHBondContact O-N 2.92Å; I305-I308 VanDerWaalsContact O-N 3.09Å; I305-H309 WeakPolarHBondContact CG2-CD2 3.33Å; I305-H309 PolarHBondContact O-N 3.48Å; I305-H309 VanDerWaalsContact O-N 3.13Å
306W87Confident83.1Confident85 Ų8566 Ų6632%0.32234%0.335SS..Hα-helixtrans-53.5-45.6-177.8-175.192.3000115Y285 L287 W302 I308 H309 L310Y285-W306 HydrophobicContact CE1-CB 4.45Å; Y285-W306 PolarHBondContact OH-N 3.37Å; L287-W306 PolarHBondContact O-NE1 2.95Å; W302-W306 AromaticContact CE2-CD1 3.92Å; W302-W306 HydrophobicContact CE3-CB 4.37Å; W302-W306 AromaticContact CH2-CD1 3.24Å; W302-W306 AromaticContact CH2-CG 3.99Å; W302-W306 HydrophobicContact CH2-CG 3.99Å; W302-W306 AromaticContact CH2-NE1 3.58Å; W302-W306 AromaticContact CZ2-CD1 3.32Å; W302-W306 HydrophobicContact CZ2-CG 4.32Å; W302-W306 AromaticContact CZ2-NE1 3.82Å; W302-W306 HydrophobicContact CZ3-CB 4.34Å; W302-W306 AromaticContact CZ3-CD1 3.81Å; W302-W306 HydrophobicContact CZ3-CG 4.14Å; W302-W306 WeakPolarHBondContact O-CB 3.4Å; W302-W306 PolarHBondContact O-N 3.09Å; W306-I308 VanDerWaalsContact C-N 3.3Å; W306-I308 PolarHBondContact O-N 3.4Å; W306-H309 PolarHBondContact O-N 3.39Å; W306-L310 HydrophobicContact CH2-CD2 3.6Å; W306-L310 HydrophobicContact CZ2-CD2 4.33Å; W306-L310 HydrophobicContact CZ3-CD2 3.72Å; W306-L310 PolarHBondContact O-N 3.28Å
307P88.3Confident83.4Confident56 Ų5663 Ų6336%0.36431%0.314SS..Hα-helixtrans-63.8-34.9178.3-18.531.6000112.7L303 I304 L310 L311L303-P307 WeakPolarHBondContact O-CD 3.41Å; I304-P307 VanDerWaalsContact O-CD 3.27Å; I304-P307 WeakPolarHBondContact O-CD 2.98Å; P307-L310 PolarHBondContact O-N 3.14Å; P307-L311 VanDerWaalsContact O-CB 3.29Å; P307-L311 WeakPolarHBondContact O-CB 3.49Å; P307-L311 PolarHBondContact O-N 3.43Å
308I87.4Confident83.6Confident5 Ų558.2 Ų58.23%0.02630%0.296CS..Hα-helixtrans-61.6-51.7175.3-58.1-178.5000109.8Y38 V41 A42 V45 I305 W306 L310 L311 F312Y38-I308 HydrophobicContact CD1-CD1 4.29Å; Y38-I308 HydrophobicContact CD2-CD1 4.07Å; Y38-I308 HydrophobicContact CE1-CD1 3.89Å; Y38-I308 HydrophobicContact CE1-CG1 3.71Å; Y38-I308 HydrophobicContact CE2-CD1 3.66Å; Y38-I308 HydrophobicContact CE2-CG1 3.83Å; Y38-I308 HydrophobicContact CG-CD1 4.38Å; Y38-I308 WeakPolarHBondContact OH-CG1 3.44Å; V41-I308 HydrophobicContact CB-CD1 4.25Å; V41-I308 HydrophobicContact CG1-CD1 3.87Å; A42-I308 HydrophobicContact CB-CD1 4.14Å; A42-I308 HydrophobicContact CB-CG2 3.97Å; V45-I308 HydrophobicContact CB-CG2 4.35Å; V45-I308 HydrophobicContact CG1-CG2 4.43Å; V45-I308 HydrophobicContact CG2-CG2 4.48Å; I305-I308 WeakPolarHBondContact O-CB 3.16Å; I305-I308 PolarHBondContact O-N 2.92Å; I305-I308 VanDerWaalsContact O-N 3.09Å; W306-I308 VanDerWaalsContact C-N 3.3Å; W306-I308 PolarHBondContact O-N 3.4Å; I308-L310 VanDerWaalsContact C-N 3.32Å; I308-L310 PolarHBondContact O-N 3.37Å; I308-L311 PolarHBondContact O-N 2.92Å; I308-F312 HydrophobicContact CG2-CD2 3.58Å; I308-F312 HydrophobicContact CG2-CE2 3.22Å; I308-F312 HydrophobicContact CG2-CZ 4.16Å; I308-F312 WeakPolarHBondContact O-CD2 3.29Å; I308-F312 PolarHBondContact O-N 2.91Å
309H84Confident83.9Confident21 Ų2156.7 Ų56.710%0.09728%0.283CS..Hα-helixtrans-64.7-35.5179.2-79.4-69.7000112.7Y285 L287 I305 W306 R313Y285-H309 HydrophobicContact CD1-CB 4.09Å; Y285-H309 AromaticContact CD1-CD2 3.42Å; Y285-H309 VanDerWaalsContact CD1-CD2 3.42Å; Y285-H309 WeakPolarHBondContact CD1-CD2 3.47Å; Y285-H309 AromaticContact CD1-CG 3.79Å; Y285-H309 AromaticContact CD1-NE2 3.98Å; Y285-H309 AromaticContact CD2-CD2 3.74Å; Y285-H309 AromaticContact CD2-NE2 3.6Å; Y285-H309 HydrophobicContact CE1-CB 4.29Å; Y285-H309 AromaticContact CE1-CD2 3.63Å; Y285-H309 AromaticContact CE2-CD2 3.92Å; Y285-H309 AromaticContact CG-CD2 3.46Å; Y285-H309 VanDerWaalsContact CG-CD2 3.46Å; Y285-H309 AromaticContact CG-NE2 3.5Å; Y285-H309 AromaticContact CZ-CD2 3.84Å; L287-H309 HydrophobicContact CD2-CB 3.52Å; L287-H309 HydrophobicContact CG-CB 4.48Å; I305-H309 WeakPolarHBondContact CG2-CD2 3.33Å; I305-H309 PolarHBondContact O-N 3.48Å; I305-H309 VanDerWaalsContact O-N 3.13Å; W306-H309 PolarHBondContact O-N 3.39Å; H309-R313 WeakPolarHBondContact O-CB 3.38Å; H309-R313 PolarHBondContact O-N 3.3Å
310L85.7Confident83.5Confident64 Ų6457.6 Ų57.634%0.33529%0.286SS..Hα-helixtrans-63.4-47.6173.9179.467.4000110.7W306 P307 I308 R313 I314W306-L310 HydrophobicContact CH2-CD2 3.6Å; W306-L310 HydrophobicContact CZ2-CD2 4.33Å; W306-L310 HydrophobicContact CZ3-CD2 3.72Å; W306-L310 PolarHBondContact O-N 3.28Å; P307-L310 PolarHBondContact O-N 3.14Å; I308-L310 VanDerWaalsContact C-N 3.32Å; I308-L310 PolarHBondContact O-N 3.37Å; L310-R313 PolarHBondContact O-N 3.39Å; L310-I314 HydrophobicContact CD1-CD1 4.08Å; L310-I314 HydrophobicContact CG-CD1 4.09Å; L310-I314 WeakPolarHBondContact O-CG1 3.29Å; L310-I314 PolarHBondContact O-N 3.24Å; L310-I314 VanDerWaalsContact O-N 3.13Å
311L88.8Confident83.1Confident85 Ų8557.1 Ų57.145%0.44528%0.284SS..Hα-helixtrans-58.9-49.9179.2-176.8147.4000110.9P307 I308 R313 I314 A315 W338P307-L311 VanDerWaalsContact O-CB 3.29Å; P307-L311 WeakPolarHBondContact O-CB 3.49Å; P307-L311 PolarHBondContact O-N 3.43Å; I308-L311 PolarHBondContact O-N 2.92Å; L311-R313 PolarHBondContact O-N 3.21Å; L311-I314 PolarHBondContact O-N 3.37Å; L311-A315 VanDerWaalsContact O-CB 3.24Å; L311-A315 WeakPolarHBondContact O-CB 3.44Å; L311-A315 PolarHBondContact O-N 3.29Å; L311-W338 HydrophobicContact CD2-CH2 3.85Å; L311-W338 HydrophobicContact CD2-CZ2 4.33Å; L311-W338 HydrophobicContact CD2-CZ3 4.11Å
312F87.5Confident82.2Confident3 Ų359.1 Ų59.11%0.01331%0.305CS..Hα-helixtrans-71.5-29-180-64.4-38.9000113.9A42 V45 V46 Y50 I308 I314 A315 I316 W338 L342A42-F312 HydrophobicContact CB-CE2 4.06Å; A42-F312 HydrophobicContact CB-CZ 3.97Å; A42-F312 WeakPolarHBondContact O-CE2 3.39Å; V45-F312 HydrophobicContact CB-CD2 4.44Å; V45-F312 HydrophobicContact CB-CE2 4.4Å; V45-F312 HydrophobicContact CG1-CD2 3.89Å; V45-F312 HydrophobicContact CG1-CE2 4.34Å; V46-F312 HydrophobicContact CG2-CD1 3.86Å; V46-F312 HydrophobicContact CG2-CD2 3.67Å; V46-F312 HydrophobicContact CG2-CE1 3.52Å; V46-F312 HydrophobicContact CG2-CE2 3.28Å; V46-F312 HydrophobicContact CG2-CG 3.96Å; V46-F312 HydrophobicContact CG2-CZ 3.22Å; Y50-F312 HydrophobicContact CE2-CB 3.86Å; I308-F312 HydrophobicContact CG2-CD2 3.58Å; I308-F312 HydrophobicContact CG2-CE2 3.22Å; I308-F312 HydrophobicContact CG2-CZ 4.16Å; I308-F312 WeakPolarHBondContact O-CD2 3.29Å; I308-F312 PolarHBondContact O-N 2.91Å; F312-I314 VanDerWaalsContact C-N 3.28Å; F312-I314 PolarHBondContact O-N 3.1Å; F312-A315 PolarHBondContact O-N 3.1Å; F312-I316 HydrophobicContact CB-CD1 4.37Å; F312-I316 HydrophobicContact CD1-CD1 4.15Å; F312-I316 HydrophobicContact CG-CD1 4.43Å; F312-I316 WeakPolarHBondContact O-CA 3.35Å; F312-I316 WeakPolarHBondContact O-CB 3.19Å; F312-I316 PolarHBondContact O-N 3.03Å; F312-W338 HydrophobicContact CE1-CD2 4.17Å; F312-W338 AromaticContact CE1-CE3 3.92Å; F312-W338 HydrophobicContact CE1-CE3 3.92Å; F312-W338 HydrophobicContact CE1-CZ3 4.32Å; F312-L342 HydrophobicContact CE1-CD1 4.19Å; F312-L342 HydrophobicContact CZ-CD1 3.75Å
313R83.8Confident81.3Confident147 Ų14766.9 Ų66.956%0.55534%0.34SS*.Hα-helixtrans-67-31.2172.5-176.2172.3179.9149-7.3112.9L287 H309 L310 L311L287-R313 HydrophobicContact CD1-CB 4.19Å; L287-R313 HydrophobicContact CD1-CG 4.31Å; H309-R313 WeakPolarHBondContact O-CB 3.38Å; H309-R313 PolarHBondContact O-N 3.3Å; L310-R313 PolarHBondContact O-N 3.39Å; L311-R313 PolarHBondContact O-N 3.21Å
314I85.8Confident80.4Confident136 Ų13664 Ų6470%0.69733%0.325SS*.Hα-helixtrans-79.2-39.4174.6-64.3168.2000110L310 L311 F312L310-I314 HydrophobicContact CD1-CD1 4.08Å; L310-I314 HydrophobicContact CG-CD1 4.09Å; L310-I314 WeakPolarHBondContact O-CG1 3.29Å; L310-I314 PolarHBondContact O-N 3.24Å; L310-I314 VanDerWaalsContact O-N 3.13Å; L311-I314 PolarHBondContact O-N 3.37Å; F312-I314 VanDerWaalsContact C-N 3.28Å; F312-I314 PolarHBondContact O-N 3.1Å
315A88.5Confident79.7Confident31 Ų3164 Ų6426%0.25633%0.326SS..Hα-helixtrans-82.3-33.5-172.500000114.5L311 F312 W338L311-A315 VanDerWaalsContact O-CB 3.24Å; L311-A315 WeakPolarHBondContact O-CB 3.44Å; L311-A315 PolarHBondContact O-N 3.29Å; F312-A315 PolarHBondContact O-N 3.1Å; A315-W338 HydrophobicContact CB-CZ2 3.62Å
316I87.3Confident79.3Confident3 Ų371.7 Ų71.72%0.01536%0.358CS..SBendtrans-118.6122.1-172.1-55.6175.6000109.3V46 Y50 F312 D318 T331 W338V46-I316 HydrophobicContact CG1-CD1 4.08Å; V46-I316 HydrophobicContact CG2-CD1 4.33Å; Y50-I316 HydrophobicContact CD1-CB 4.01Å; Y50-I316 HydrophobicContact CD1-CG2 3.59Å; Y50-I316 HydrophobicContact CE1-CB 4.19Å; Y50-I316 HydrophobicContact CE1-CG2 4.23Å; Y50-I316 HydrophobicContact CG-CD1 4.37Å; Y50-I316 HydrophobicContact CG-CG2 4.11Å; F312-I316 HydrophobicContact CB-CD1 4.37Å; F312-I316 HydrophobicContact CD1-CD1 4.15Å; F312-I316 HydrophobicContact CG-CD1 4.43Å; F312-I316 WeakPolarHBondContact O-CA 3.35Å; F312-I316 WeakPolarHBondContact O-CB 3.19Å; F312-I316 PolarHBondContact O-N 3.03Å; I316-D318 PolarHBondContact O-N 3.33Å; I316-T331 HydrophobicContact CG2-CG2 3.86Å; I316-W338 HydrophobicContact CD1-CG 4.31Å
317P84.8Confident79.2Confident39 Ų3970.3 Ų70.325%0.25336%0.356SS..  trans-67133.7174.727.3-31.6000110.3C319 I327 L330 T331P317-C319 PolarHBondContact O-N 3.22Å; P317-I327 HydrophobicContact CB-CG2 3.88Å; P317-I327 HydrophobicContact CG-CG2 3.99Å; P317-L330 HydrophobicContact CG-CD2 4.11Å; P317-L330 HydrophobicContact CG-CG 4.18Å; P317-T331 WeakPolarHBondContact O-CG2 3.44Å; P317-T331 PolarHBondContact O-OG1 3.11Å
318D80Confident79.1Confident51 Ų5169.7 Ų69.727%0.27335%0.348SS..  trans-81120.9-179.4-1772000111.2I316 K320 N324I316-D318 PolarHBondContact O-N 3.33Å; D318-K320 VanDerWaalsContact OD1-CB 3.24Å; D318-K320 WeakPolarHBondContact OD1-CB 3.5Å; D318-K320 WeakPolarHBondContact OD1-CG 3.39Å; D318-K320 PolarHBondContact OD1-N 3.1Å; D318-N324 WeakPolarHBondContact O-CB 3.35Å; D318-N324 PolarHBondContact O-ND2 3.12Å
319C78.8Confident79.1Confident2 Ų272.2 Ų72.21%0.01437%0.365CS..  trans-91.4-8.4178.565.50000113.8P317 K321 F328 T331P317-C319 PolarHBondContact O-N 3.22Å; C319-K321 VanDerWaalsContact C-N 3.29Å; C319-K321 PolarHBondContact O-N 3.28Å; C319-F328 HydrophobicContact CB-CB 4.17Å; C319-T331 HydrophobicContact CB-CG2 4.22Å
320K70.7Confident79.4Confident59 Ų5975.3 Ų75.326%0.25738%0.382SS..  trans-68.4-28.7-178.7-68173.7166.5158.60112.7E49 P53 D318 A322E49-K320 VanDerWaalsContact O-CE 3.25Å; E49-K320 WeakPolarHBondContact O-CE 3.26Å; E49-K320 PolarHBondContact O-NZ 2.97Å; E49-K320 IonicContact OE2-NZ 2.67Å; E49-K320 PolarHBondContact OE2-NZ 3.48Å; P53-K320 HydrophobicContact CB-CG 4.27Å; P53-K320 VanDerWaalsContact CG-CE 3.41Å; D318-K320 VanDerWaalsContact OD1-CB 3.24Å; D318-K320 WeakPolarHBondContact OD1-CB 3.5Å; D318-K320 WeakPolarHBondContact OD1-CG 3.39Å; D318-K320 PolarHBondContact OD1-N 3.1Å; K320-A322 PolarHBondContact O-N 3.45Å
321K71.5Confident79.7Confident111 Ų11172.3 Ų72.348%0.48337%0.366SS..SBendtrans-73.7128.2-177.4-65.6179.2-175.9177.10110.7C319 K323 N324C319-K321 VanDerWaalsContact C-N 3.29Å; C319-K321 PolarHBondContact O-N 3.28Å; K321-K323 PolarHBondContact O-N 3.48Å; K321-N324 WeakPolarHBondContact O-CA 3.5Å; K321-N324 PolarHBondContact O-N 2.89Å
322A57.5Low79.8Confident90 Ų9070.9 Ų70.974%0.74436%0.356SS*.G310 helixtrans-52.5-30.6-179.900000114.4K320 N324K320-A322 PolarHBondContact O-N 3.45Å; A322-N324 VanDerWaalsContact C-N 3.29Å; A322-N324 PolarHBondContact O-N 3.49Å
323K60.8Low80Confident199 Ų19975.3 Ų75.387%0.86538%0.379SS*.G310 helixtrans-68.7-24.5175.4-166.7176.5-179.7-1790113.5K321K321-K323 PolarHBondContact O-N 3.48Å
324N64Low80.4Confident49 Ų4971.7 Ų71.726%0.26237%0.369SS..G310 helixtrans-106.814.1-174.5-76.115.3000113.2D318 K321 A322 K326 I327D318-N324 WeakPolarHBondContact O-CB 3.35Å; D318-N324 PolarHBondContact O-ND2 3.12Å; K321-N324 WeakPolarHBondContact O-CA 3.5Å; K321-N324 PolarHBondContact O-N 2.89Å; A322-N324 VanDerWaalsContact C-N 3.29Å; A322-N324 PolarHBondContact O-N 3.49Å; N324-K326 PolarHBondContact O-N 3.27Å; N324-I327 HydrophobicContact CB-CD1 3.86Å; N324-I327 HydrophobicContact CB-CG1 4.29Å; N324-I327 WeakPolarHBondContact O-CB 3.28Å; N324-I327 PolarHBondContact O-N 3.42Å
325N66.9Low80.7Confident74 Ų7465.2 Ų65.240%0.39634%0.336SS..THydrogen-bonded Turntrans-60-5.9-177.4-113.43.6000115F328N325-F328 WeakPolarHBondContact O-CD1 3.2Å
326K76.5Confident81Confident195 Ų19566.6 Ų66.685%0.84834%0.338SS*.THydrogen-bonded Turntrans-97.9-7.1173.3-62.9-175-179.3-176.80113.5N324 P329N324-K326 PolarHBondContact O-N 3.27Å; K326-P329 WeakPolarHBondContact O-CD 3.1Å
327I85Confident81.3Confident56 Ų5670.3 Ų70.329%0.28736%0.361SS..  trans-92.4-1.4-175.2-49.4179.8000111.2P317 N324 P329 L330 T331P317-I327 HydrophobicContact CB-CG2 3.88Å; P317-I327 HydrophobicContact CG-CG2 3.99Å; N324-I327 HydrophobicContact CB-CD1 3.86Å; N324-I327 HydrophobicContact CB-CG1 4.29Å; N324-I327 WeakPolarHBondContact O-CB 3.28Å; N324-I327 PolarHBondContact O-N 3.42Å; I327-P329 VanDerWaalsContact C-N 3.35Å; I327-L330 HydrophobicContact CG2-CB 4.13Å; I327-L330 HydrophobicContact CG2-CD2 4.09Å; I327-L330 PolarHBondContact O-N 3.13Å; I327-L330 VanDerWaalsContact O-N 3.16Å; I327-T331 PolarHBondContact O-N 2.93Å; I327-T331 PolarHBondContact O-OG1 3.47Å
328F85Confident81.8Confident43 Ų4372 Ų7219%0.18936%0.363CS..Hα-helixtrans-55.2-37.2179.772.3-96.3000114.3K57 I58 A61 C319 N325 L330 T331 F332K57-F328 HydrophobicContact CB-CB 3.92Å; K57-F328 HydrophobicContact CB-CD1 4.35Å; K57-F328 HydrophobicContact CB-CG 4.02Å; I58-F328 HydrophobicContact CD1-CD2 4.38Å; I58-F328 HydrophobicContact CG1-CD2 3.47Å; I58-F328 VanDerWaalsContact CG1-CD2 3.47Å; I58-F328 HydrophobicContact CG1-CE2 3.66Å; A61-F328 HydrophobicContact CB-CZ 4Å; C319-F328 HydrophobicContact CB-CB 4.17Å; N325-F328 WeakPolarHBondContact O-CD1 3.2Å; F328-L330 PolarHBondContact O-N 3.01Å; F328-T331 WeakPolarHBondContact O-CB 3.46Å; F328-T331 PolarHBondContact O-N 3.39Å; F328-F332 WeakPolarHBondContact O-CB 3.39Å; F328-F332 PolarHBondContact O-N 3.22Å
329P88.9Confident82.5Confident58 Ų5869.6 Ų69.638%0.37735%0.35SS..Hα-helixtrans-67.8-37.8179.1-17.731.6000112.2K326 I327 F332 I333K326-P329 WeakPolarHBondContact O-CD 3.1Å; I327-P329 VanDerWaalsContact C-N 3.35Å; P329-F332 PolarHBondContact O-N 3.02Å; P329-I333 WeakPolarHBondContact O-CG1 3.46Å; P329-I333 PolarHBondContact O-N 3.19Å
330L90.3Very high83.2Confident87 Ų8770.1 Ų70.146%0.45536%0.356SS..Hα-helixtrans-66.9-41.6176.1179.564.8000110.8P317 I327 F328 F332 I333 M334P317-L330 HydrophobicContact CG-CD2 4.11Å; P317-L330 HydrophobicContact CG-CG 4.18Å; I327-L330 HydrophobicContact CG2-CB 4.13Å; I327-L330 HydrophobicContact CG2-CD2 4.09Å; I327-L330 PolarHBondContact O-N 3.13Å; I327-L330 VanDerWaalsContact O-N 3.16Å; F328-L330 PolarHBondContact O-N 3.01Å; L330-F332 VanDerWaalsContact C-N 3.33Å; L330-F332 PolarHBondContact O-N 2.92Å; L330-I333 PolarHBondContact O-N 2.94Å; L330-M334 HydrophobicContact CD1-CE 4.06Å; L330-M334 HydrophobicContact CD1-CG 4.39Å; L330-M334 WeakPolarHBondContact O-CB 3.42Å; L330-M334 VanDerWaalsContact O-CG 3.31Å; L330-M334 WeakPolarHBondContact O-CG 3.49Å; L330-M334 PolarHBondContact O-N 2.9Å
331T90.7Very high84.4Confident0 Ų070.2 Ų70.20%036%0.364CS..Hα-helixtrans-59.4-46.6176.1-500000110.4A54 I316 P317 C319 I327 F328 M334 C335A54-T331 HydrophobicContact CB-CG2 4.16Å; I316-T331 HydrophobicContact CG2-CG2 3.86Å; P317-T331 WeakPolarHBondContact O-CG2 3.44Å; P317-T331 PolarHBondContact O-OG1 3.11Å; C319-T331 HydrophobicContact CB-CG2 4.22Å; I327-T331 PolarHBondContact O-N 2.93Å; I327-T331 PolarHBondContact O-OG1 3.47Å; F328-T331 WeakPolarHBondContact O-CB 3.46Å; F328-T331 PolarHBondContact O-N 3.39Å; T331-M334 PolarHBondContact O-N 3.02Å; T331-C335 PolarHBondContact O-N 2.83Å; T331-C335 PolarHBondContact O-SG 3.06Å
332F91Very high85.5Confident56 Ų5665.7 Ų65.725%0.24635%0.345CS..Hα-helixtrans-58.4-49.8177.2179.6-101.2000112.3F51 A54 V55 I58 F328 P329 L330 M334 C335 I336F51-F332 HydrophobicContact CD2-CD2 4.04Å; F51-F332 HydrophobicContact CD2-CE2 4.27Å; F51-F332 AromaticContact CE2-CD2 3.52Å; F51-F332 HydrophobicContact CE2-CD2 3.52Å; F51-F332 AromaticContact CE2-CE2 3.35Å; F51-F332 HydrophobicContact CE2-CE2 3.35Å; F51-F332 HydrophobicContact CE2-CG 4.48Å; F51-F332 HydrophobicContact CE2-CZ 4.22Å; F51-F332 HydrophobicContact CZ-CD2 4.48Å; F51-F332 AromaticContact CZ-CE2 3.91Å; F51-F332 HydrophobicContact CZ-CE2 3.91Å; A54-F332 HydrophobicContact CB-CB 4.26Å; V55-F332 HydrophobicContact CG2-CD2 3.85Å; V55-F332 HydrophobicContact CG2-CE2 3.61Å; I58-F332 HydrophobicContact CD1-CB 3.96Å; I58-F332 HydrophobicContact CD1-CD1 4.12Å; I58-F332 HydrophobicContact CD1-CD2 3.53Å; I58-F332 HydrophobicContact CD1-CE2 4Å; I58-F332 HydrophobicContact CD1-CG 3.61Å; I58-F332 HydrophobicContact CD1-CZ 4.46Å; F328-F332 WeakPolarHBondContact O-CB 3.39Å; F328-F332 PolarHBondContact O-N 3.22Å; P329-F332 PolarHBondContact O-N 3.02Å; L330-F332 VanDerWaalsContact C-N 3.33Å; L330-F332 PolarHBondContact O-N 2.92Å; F332-M334 PolarHBondContact O-N 2.84Å; F332-C335 PolarHBondContact O-N 3.15Å; F332-I336 HydrophobicContact CD1-CD1 3.83Å; F332-I336 HydrophobicContact CE1-CD1 3.35Å; F332-I336 HydrophobicContact CE1-CG1 4.46Å; F332-I336 HydrophobicContact CE2-CD1 4.35Å; F332-I336 HydrophobicContact CZ-CD1 3.66Å; F332-I336 WeakPolarHBondContact O-CG1 3.24Å; F332-I336 PolarHBondContact O-N 3.31Å
333I92.1Very high87.3Confident96 Ų9661.4 Ų61.449%0.49231%0.309SS..Hα-helixtrans-62.5-43178.2-66.3167.5000111.3P329 L330 C335 I336 V337P329-I333 WeakPolarHBondContact O-CG1 3.46Å; P329-I333 PolarHBondContact O-N 3.19Å; L330-I333 PolarHBondContact O-N 2.94Å; I333-C335 VanDerWaalsContact C-N 3.33Å; I333-C335 PolarHBondContact O-N 3.37Å; I333-I336 PolarHBondContact O-N 3.42Å; I333-V337 WeakPolarHBondContact O-CG2 3.33Å; I333-V337 PolarHBondContact O-N 3.43Å; I333-V337 VanDerWaalsContact O-N 3.14Å
334M92.6Very high88.9Confident70 Ų7055.1 Ų55.135%0.34528%0.281SS..Hα-helixtrans-63.7-39.1177.6-72-66167.900111.9L330 T331 F332 V337 W338L330-M334 HydrophobicContact CD1-CE 4.06Å; L330-M334 HydrophobicContact CD1-CG 4.39Å; L330-M334 WeakPolarHBondContact O-CB 3.42Å; L330-M334 VanDerWaalsContact O-CG 3.31Å; L330-M334 WeakPolarHBondContact O-CG 3.49Å; L330-M334 PolarHBondContact O-N 2.9Å; T331-M334 PolarHBondContact O-N 3.02Å; F332-M334 PolarHBondContact O-N 2.84Å; M334-V337 PolarHBondContact O-N 3.05Å; M334-W338 VanDerWaalsContact O-CD1 3.26Å; M334-W338 PolarHBondContact O-N 2.92Å
335C92.9Very high90.3Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-61.7-45.6174.7-67.30000111.5V46 Y50 F51 T331 F332 I333 V337 W338 I339V46-C335 HydrophobicContact CG1-CB 4.29Å; Y50-C335 VanDerWaalsContact CB-SG 3.58Å; F51-C335 HydrophobicContact CB-CB 3.93Å; F51-C335 HydrophobicContact CD2-CB 3.51Å; F51-C335 HydrophobicContact CE2-CB 4.36Å; F51-C335 HydrophobicContact CG-CB 4.04Å; T331-C335 PolarHBondContact O-N 2.83Å; T331-C335 PolarHBondContact O-SG 3.06Å; F332-C335 PolarHBondContact O-N 3.15Å; I333-C335 VanDerWaalsContact C-N 3.33Å; I333-C335 PolarHBondContact O-N 3.37Å; C335-V337 VanDerWaalsContact C-N 3.29Å; C335-V337 PolarHBondContact O-N 2.98Å; C335-W338 PolarHBondContact O-N 3.31Å; C335-I339 HydrophobicContact CB-CD1 4.47Å; C335-I339 WeakPolarHBondContact O-CB 3.44Å; C335-I339 WeakPolarHBondContact O-CG1 3.43Å; C335-I339 PolarHBondContact O-N 3.02Å
336I93.2Very high91.7Very high60 Ų6051.7 Ų51.731%0.30826%0.264SS..Hα-helixtrans-55.3-45.7176.6-71.5175000111F51 F84 F332 I333 G340F51-I336 HydrophobicContact CE2-CG1 3.95Å; F51-I336 HydrophobicContact CZ-CG1 4.38Å; F84-I336 HydrophobicContact CE2-CG2 4.46Å; F84-I336 HydrophobicContact CZ-CG2 3.75Å; F84-I336 WeakPolarHBondContact CZ-O 2.78Å; F332-I336 HydrophobicContact CD1-CD1 3.83Å; F332-I336 HydrophobicContact CE1-CD1 3.35Å; F332-I336 HydrophobicContact CE1-CG1 4.46Å; F332-I336 HydrophobicContact CE2-CD1 4.35Å; F332-I336 HydrophobicContact CZ-CD1 3.66Å; F332-I336 WeakPolarHBondContact O-CG1 3.24Å; F332-I336 PolarHBondContact O-N 3.31Å; I333-I336 PolarHBondContact O-N 3.42Å; I336-G340 PolarHBondContact O-N 3.01Å
337V94.2Very high92.4Very high82 Ų8242.5 Ų42.550%0.49722%0.224SC..Hα-helixtrans-64.1-44.8178.4174.30000111.5I333 M334 C335 S341I333-V337 WeakPolarHBondContact O-CG2 3.33Å; I333-V337 PolarHBondContact O-N 3.43Å; I333-V337 VanDerWaalsContact O-N 3.14Å; M334-V337 PolarHBondContact O-N 3.05Å; C335-V337 VanDerWaalsContact C-N 3.29Å; C335-V337 PolarHBondContact O-N 2.98Å; V337-S341 VanDerWaalsContact O-CB 3.3Å; V337-S341 WeakPolarHBondContact O-CB 3.27Å; V337-S341 PolarHBondContact O-N 3.41Å; V337-S341 PolarHBondContact O-OG 3.47Å
338W94.8Very high92.8Very high75 Ų7542.2 Ų42.228%0.28422%0.219SC..Hα-helixtrans-68.4-43.5179.7-85.1105.5000112.7V46 L311 F312 A315 I316 M334 C335 S341 L342V46-W338 HydrophobicContact CG1-CB 4.41Å; L311-W338 HydrophobicContact CD2-CH2 3.85Å; L311-W338 HydrophobicContact CD2-CZ2 4.33Å; L311-W338 HydrophobicContact CD2-CZ3 4.11Å; F312-W338 HydrophobicContact CE1-CD2 4.17Å; F312-W338 AromaticContact CE1-CE3 3.92Å; F312-W338 HydrophobicContact CE1-CE3 3.92Å; F312-W338 HydrophobicContact CE1-CZ3 4.32Å; A315-W338 HydrophobicContact CB-CZ2 3.62Å; I316-W338 HydrophobicContact CD1-CG 4.31Å; M334-W338 VanDerWaalsContact O-CD1 3.26Å; M334-W338 PolarHBondContact O-N 2.92Å; C335-W338 PolarHBondContact O-N 3.31Å; W338-S341 PolarHBondContact O-N 3.49Å; W338-L342 HydrophobicContact CE3-CD1 4.43Å; W338-L342 HydrophobicContact CE3-CG 4.35Å; W338-L342 VanDerWaalsContact O-CB 3.26Å; W338-L342 WeakPolarHBondContact O-CB 3.43Å; W338-L342 WeakPolarHBondContact O-CD1 3.46Å; W338-L342 WeakPolarHBondContact O-CG 3.36Å; W338-L342 PolarHBondContact O-N 3.21Å
339I94.5Very high93.3Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-60.3-50.1176.2-64.6167.3000109.1L43 V46 F51 A80 P81 F84 C335 S341 L342 S343L43-I339 HydrophobicContact CD2-CG2 4.21Å; V46-I339 HydrophobicContact CB-CG1 4.4Å; V46-I339 HydrophobicContact CG1-CD1 4.24Å; V46-I339 HydrophobicContact CG1-CG1 3.72Å; F51-I339 HydrophobicContact CB-CD1 4.06Å; F51-I339 HydrophobicContact CD1-CD1 3.58Å; F51-I339 HydrophobicContact CD2-CD1 4.26Å; F51-I339 HydrophobicContact CE1-CD1 4Å; F51-I339 HydrophobicContact CG-CD1 3.73Å; A80-I339 HydrophobicContact CB-CD1 4.31Å; A80-I339 HydrophobicContact CB-CG2 4.41Å; P81-I339 HydrophobicContact CG-CG2 4.25Å; F84-I339 HydrophobicContact CD2-CB 4.18Å; F84-I339 HydrophobicContact CD2-CG2 3.53Å; F84-I339 HydrophobicContact CE2-CB 4.15Å; F84-I339 HydrophobicContact CE2-CG2 3.94Å; F84-I339 HydrophobicContact CG-CG2 4.5Å; C335-I339 HydrophobicContact CB-CD1 4.47Å; C335-I339 WeakPolarHBondContact O-CB 3.44Å; C335-I339 WeakPolarHBondContact O-CG1 3.43Å; C335-I339 PolarHBondContact O-N 3.02Å; I339-S341 PolarHBondContact O-N 3.37Å; I339-L342 PolarHBondContact O-N 2.87Å; I339-S343 VanDerWaalsContact O-CB 3.32Å; I339-S343 WeakPolarHBondContact O-CB 3.48Å; I339-S343 PolarHBondContact O-N 3.37Å; I339-S343 PolarHBondContact O-OG 2.79Å; I339-S343 VanDerWaalsContact O-OG 3.07Å
340G94.7Very high93.5Very high13 Ų1338.6 Ų38.613%0.13420%0.198CC..Hα-helixtrans-60.4-42.3178.100000113.5F84 I336 Y344F84-G340 VanDerWaalsContact CD1-CA 3.47Å; I336-G340 PolarHBondContact O-N 3.01Å; G340-Y344 WeakPolarHBondContact O-CB 3.49Å; G340-Y344 PolarHBondContact O-N 3.23Å
341S94.8Very high93.5Very high61 Ų6134.5 Ų34.543%0.42718%0.177SC..Hα-helixtrans-66.4-43.8178-56.80000112.1V337 W338 I339 Y344 V345V337-S341 VanDerWaalsContact O-CB 3.3Å; V337-S341 WeakPolarHBondContact O-CB 3.27Å; V337-S341 PolarHBondContact O-N 3.41Å; V337-S341 PolarHBondContact O-OG 3.47Å; W338-S341 PolarHBondContact O-N 3.49Å; I339-S341 PolarHBondContact O-N 3.37Å; S341-Y344 WeakPolarHBondContact O-CB 3.31Å; S341-Y344 PolarHBondContact O-N 2.97Å; S341-V345 WeakPolarHBondContact O-CG2 3.44Å; S341-V345 PolarHBondContact O-N 3.36Å; S341-V345 VanDerWaalsContact O-N 3.17Å
342L94.9Very high93.6Very high16 Ų1634.5 Ų34.58%0.08418%0.177CC..Hα-helixtrans-68.1-42.8178.4-70.5167.4000111.2L39 A42 L43 V46 F312 W338 I339 Y344 V345 V346L39-L342 HydrophobicContact CD2-CD2 3.92Å; A42-L342 HydrophobicContact CB-CD1 4.45Å; A42-L342 HydrophobicContact CB-CD2 4.44Å; L43-L342 HydrophobicContact CD2-CB 3.44Å; L43-L342 VanDerWaalsContact CD2-CB 3.44Å; L43-L342 HydrophobicContact CD2-CD1 4.14Å; L43-L342 HydrophobicContact CD2-CG 4.45Å; L43-L342 HydrophobicContact CG-CB 3.8Å; L43-L342 HydrophobicContact CG-CD1 4.46Å; V46-L342 HydrophobicContact CG2-CD1 4.05Å; F312-L342 HydrophobicContact CE1-CD1 4.19Å; F312-L342 HydrophobicContact CZ-CD1 3.75Å; W338-L342 HydrophobicContact CE3-CD1 4.43Å; W338-L342 HydrophobicContact CE3-CG 4.35Å; W338-L342 VanDerWaalsContact O-CB 3.26Å; W338-L342 WeakPolarHBondContact O-CB 3.43Å; W338-L342 WeakPolarHBondContact O-CD1 3.46Å; W338-L342 WeakPolarHBondContact O-CG 3.36Å; W338-L342 PolarHBondContact O-N 3.21Å; I339-L342 PolarHBondContact O-N 2.87Å; L342-Y344 VanDerWaalsContact C-N 3.26Å; L342-Y344 PolarHBondContact O-N 2.91Å; L342-V345 PolarHBondContact O-N 3.41Å; L342-V346 WeakPolarHBondContact O-CB 3.5Å; L342-V346 VanDerWaalsContact O-CG2 3.31Å; L342-V346 WeakPolarHBondContact O-CG2 3.28Å; L342-V346 PolarHBondContact O-N 2.88Å
343S94.5Very high93.6Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-59.5-37.2174.7-67.80000111.8I88 I339 V346 A347I88-S343 VanDerWaalsContact CD1-C 3.5Å; I339-S343 VanDerWaalsContact O-CB 3.32Å; I339-S343 WeakPolarHBondContact O-CB 3.48Å; I339-S343 PolarHBondContact O-N 3.37Å; I339-S343 PolarHBondContact O-OG 2.79Å; I339-S343 VanDerWaalsContact O-OG 3.07Å; S343-V346 PolarHBondContact O-N 3.29Å; S343-A347 WeakPolarHBondContact O-CB 3.48Å; S343-A347 PolarHBondContact O-N 2.97Å
344Y94.8Very high93.5Very high67 Ų6727.6 Ų27.626%0.26314%0.144SC..Hα-helixtrans-62.4-49173.8176.4-95.5000112.2F14 P15 I88 I92 G340 S341 L342 V346 A347 W348F14-Y344 AromaticContact CD1-CE2 3.85Å; F14-Y344 HydrophobicContact CD1-CE2 3.85Å; F14-Y344 AromaticContact CD1-CZ 3.81Å; F14-Y344 HydrophobicContact CE1-CD2 4.04Å; F14-Y344 AromaticContact CE1-CE2 3.59Å; F14-Y344 HydrophobicContact CE1-CE2 3.59Å; F14-Y344 AromaticContact CE1-CZ 4Å; P15-Y344 VanDerWaalsContact CD-OH 3.25Å; P15-Y344 WeakPolarHBondContact CD-OH 3.48Å; I88-Y344 VanDerWaalsContact CD1-CA 3.43Å; I88-Y344 VanDerWaalsContact CD1-N 3.32Å; I88-Y344 HydrophobicContact CG1-CD2 4.47Å; I88-Y344 HydrophobicContact CG2-CD2 4.5Å; I92-Y344 HydrophobicContact CD1-CD2 3.76Å; I92-Y344 HydrophobicContact CD1-CE2 3.67Å; I92-Y344 HydrophobicContact CG2-CE2 4.48Å; G340-Y344 WeakPolarHBondContact O-CB 3.49Å; G340-Y344 PolarHBondContact O-N 3.23Å; S341-Y344 WeakPolarHBondContact O-CB 3.31Å; S341-Y344 PolarHBondContact O-N 2.97Å; L342-Y344 VanDerWaalsContact C-N 3.26Å; L342-Y344 PolarHBondContact O-N 2.91Å; Y344-V346 VanDerWaalsContact C-N 3.32Å; Y344-V346 PolarHBondContact O-N 3.17Å; Y344-A347 PolarHBondContact O-N 2.88Å; Y344-W348 WeakPolarHBondContact O-CB 3.3Å; Y344-W348 PolarHBondContact O-N 2.91Å
345V94.8Very high93.3Very high50 Ų5025.2 Ų25.230%0.30313%0.132SC..Hα-helixtrans-66-38179.2-176.90000110.8L39 S341 L342 W348 M349L39-V345 HydrophobicContact CD1-CB 4.22Å; L39-V345 HydrophobicContact CD1-CG1 3.55Å; L39-V345 HydrophobicContact CD2-CG1 4.47Å; S341-V345 WeakPolarHBondContact O-CG2 3.44Å; S341-V345 PolarHBondContact O-N 3.36Å; S341-V345 VanDerWaalsContact O-N 3.17Å; L342-V345 PolarHBondContact O-N 3.41Å; V345-W348 WeakPolarHBondContact O-CB 3.34Å; V345-W348 PolarHBondContact O-N 2.98Å; V345-M349 HydrophobicContact CG1-CG 4.31Å; V345-M349 VanDerWaalsContact O-CG 3.29Å; V345-M349 WeakPolarHBondContact O-CG 3.26Å; V345-M349 PolarHBondContact O-N 3.36Å
346V94.6Very high93.2Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-61.3-51.1175168.10000111L39 F40 L43 L342 S343 Y344 W348 M349 I350 L369L39-V346 HydrophobicContact CB-CG2 3.45Å; L39-V346 VanDerWaalsContact CB-CG2 3.45Å; L39-V346 HydrophobicContact CD1-CG2 4.13Å; L39-V346 HydrophobicContact CG-CG2 4.39Å; F40-V346 HydrophobicContact CD1-CG1 4.14Å; F40-V346 HydrophobicContact CE1-CG1 3.38Å; F40-V346 HydrophobicContact CE2-CG1 4.29Å; F40-V346 HydrophobicContact CZ-CG1 3.46Å; F40-V346 VanDerWaalsContact CZ-CG1 3.46Å; L43-V346 HydrophobicContact CD1-CB 4.49Å; L43-V346 HydrophobicContact CD1-CG2 3.8Å; L342-V346 WeakPolarHBondContact O-CB 3.5Å; L342-V346 VanDerWaalsContact O-CG2 3.31Å; L342-V346 WeakPolarHBondContact O-CG2 3.28Å; L342-V346 PolarHBondContact O-N 2.88Å; S343-V346 PolarHBondContact O-N 3.29Å; Y344-V346 VanDerWaalsContact C-N 3.32Å; Y344-V346 PolarHBondContact O-N 3.17Å; V346-W348 VanDerWaalsContact C-N 3.27Å; V346-W348 PolarHBondContact O-N 3.26Å; V346-M349 PolarHBondContact O-N 3.33Å; V346-I350 HydrophobicContact CG1-CG1 4.26Å; V346-I350 WeakPolarHBondContact O-CB 3.27Å; V346-I350 VanDerWaalsContact O-CG1 3.27Å; V346-I350 WeakPolarHBondContact O-CG1 3.43Å; V346-I350 PolarHBondContact O-N 3.35Å; V346-L369 HydrophobicContact CG1-CD1 3.46Å; V346-L369 VanDerWaalsContact CG1-CD1 3.46Å
347A93Very high93Very high2 Ų227.3 Ų27.32%0.01714%0.144CC..Hα-helixtrans-56-45.8177.200000110.6F14 I88 S343 Y344 M349 I350 T351F14-A347 HydrophobicContact CZ-CB 4.02Å; I88-A347 HydrophobicContact CG2-CB 3.94Å; S343-A347 WeakPolarHBondContact O-CB 3.48Å; S343-A347 PolarHBondContact O-N 2.97Å; Y344-A347 PolarHBondContact O-N 2.88Å; A347-M349 PolarHBondContact O-N 3.1Å; A347-I350 PolarHBondContact O-N 3.07Å; A347-T351 PolarHBondContact O-N 2.87Å; A347-T351 PolarHBondContact O-OG1 3.33Å
348W93.4Very high92.6Very high50 Ų5029 Ų2919%0.18915%0.145CC..Hα-helixtrans-57.5-50.6176.7-178.221.1000112.9F14 P15 Y344 V345 V346 I350 T351 I352F14-W348 HydrophobicContact CB-CG 3.95Å; F14-W348 HydrophobicContact CD1-CB 3.6Å; F14-W348 AromaticContact CD1-CD1 3.91Å; F14-W348 AromaticContact CD1-CG 3.8Å; F14-W348 HydrophobicContact CD1-CG 3.8Å; F14-W348 HydrophobicContact CE1-CB 3.8Å; F14-W348 HydrophobicContact CE1-CG 4.49Å; F14-W348 HydrophobicContact CG-CB 4.03Å; F14-W348 AromaticContact CG-CD1 3.54Å; F14-W348 AromaticContact CG-CG 3.92Å; F14-W348 HydrophobicContact CG-CG 3.92Å; F14-W348 HydrophobicContact CZ-CB 4.37Å; P15-W348 HydrophobicContact CB-CH2 3.98Å; P15-W348 HydrophobicContact CB-CZ2 3.75Å; P15-W348 HydrophobicContact CG-CH2 4.36Å; P15-W348 HydrophobicContact CG-CZ2 4.3Å; P15-W348 WeakPolarHBondContact O-CZ2 3.45Å; P15-W348 PolarHBondContact O-NE1 3.14Å; Y344-W348 WeakPolarHBondContact O-CB 3.3Å; Y344-W348 PolarHBondContact O-N 2.91Å; V345-W348 WeakPolarHBondContact O-CB 3.34Å; V345-W348 PolarHBondContact O-N 2.98Å; V346-W348 VanDerWaalsContact C-N 3.27Å; V346-W348 PolarHBondContact O-N 3.26Å; W348-I350 VanDerWaalsContact C-N 3.34Å; W348-I350 PolarHBondContact O-N 3.25Å; W348-T351 PolarHBondContact O-N 3.32Å; W348-I352 HydrophobicContact CG-CD1 4.41Å; W348-I352 WeakPolarHBondContact O-CG1 3.45Å; W348-I352 PolarHBondContact O-N 3.06Å; W348-I352 VanDerWaalsContact O-N 3.07Å
349M93.7Very high92.3Very high22 Ų2227.8 Ų27.811%0.10814%0.143CC..Hα-helixtrans-64.2-39-179.9-64.7-59.2104.100111.9S36 L39 V345 V346 A347 I352 I353S36-M349 WeakPolarHBondContact OG-CB 3.36Å; L39-M349 HydrophobicContact CD1-CG 4.16Å; V345-M349 HydrophobicContact CG1-CG 4.31Å; V345-M349 VanDerWaalsContact O-CG 3.29Å; V345-M349 WeakPolarHBondContact O-CG 3.26Å; V345-M349 PolarHBondContact O-N 3.36Å; V346-M349 PolarHBondContact O-N 3.33Å; A347-M349 PolarHBondContact O-N 3.1Å; M349-I352 HydrophobicContact CE-CD1 3.92Å; M349-I352 PolarHBondContact O-N 3.18Å; M349-I353 WeakPolarHBondContact O-CD1 3.45Å; M349-I353 VanDerWaalsContact O-CG1 3.26Å; M349-I353 WeakPolarHBondContact O-CG1 3.27Å; M349-I353 PolarHBondContact O-N 3.38Å; M349-I353 VanDerWaalsContact O-N 3.09Å
350I93.3Very high92Very high3 Ų329.4 Ų29.42%0.01515%0.154CC..Hα-helixtrans-66.4-42.5178.1-68.8-64000111.4F40 V346 A347 W348 I352 I353 G354 M364 F368F40-I350 HydrophobicContact CE2-CD1 4.25Å; F40-I350 HydrophobicContact CZ-CD1 4.39Å; F40-I350 HydrophobicContact CZ-CG1 4.4Å; V346-I350 HydrophobicContact CG1-CG1 4.26Å; V346-I350 WeakPolarHBondContact O-CB 3.27Å; V346-I350 VanDerWaalsContact O-CG1 3.27Å; V346-I350 WeakPolarHBondContact O-CG1 3.43Å; V346-I350 PolarHBondContact O-N 3.35Å; A347-I350 PolarHBondContact O-N 3.07Å; W348-I350 VanDerWaalsContact C-N 3.34Å; W348-I350 PolarHBondContact O-N 3.25Å; I350-I352 VanDerWaalsContact C-N 3.32Å; I350-I352 PolarHBondContact O-N 3.42Å; I350-I353 HydrophobicContact CD1-CD1 4.27Å; I350-I353 WeakPolarHBondContact O-CB 3.4Å; I350-I353 PolarHBondContact O-N 3.4Å; I350-G354 PolarHBondContact O-N 3.09Å; I350-M364 HydrophobicContact CG2-CB 3.85Å; I350-M364 HydrophobicContact CG2-CE 3.88Å; I350-F368 HydrophobicContact CD1-CB 4.1Å
351T91.4Very high91.6Very high1 Ų130.2 Ų30.21%0.00616%0.155CC..Hα-helixtrans-63.1-37.6175.3-57.50000111.7A10 I11 F14 A347 W348 I353 G354 D355A10-T351 HydrophobicContact CB-CG2 3.79Å; I11-T351 HydrophobicContact CB-CG2 3.96Å; I11-T351 VanDerWaalsContact N-CG2 3.34Å; F14-T351 HydrophobicContact CD2-CG2 4.27Å; F14-T351 HydrophobicContact CE2-CG2 4.27Å; A347-T351 PolarHBondContact O-N 2.87Å; A347-T351 PolarHBondContact O-OG1 3.33Å; W348-T351 PolarHBondContact O-N 3.32Å; T351-I353 VanDerWaalsContact C-N 3.34Å; T351-I353 PolarHBondContact O-N 3.49Å; T351-G354 PolarHBondContact O-N 2.96Å; T351-D355 WeakPolarHBondContact O-CB 3.45Å; T351-D355 PolarHBondContact O-N 3.33Å
352I91.8Very high91.3Very high0 Ų027.5 Ų27.50%014%0.136CC..Hα-helixtrans-62-42.7173.3-68.5165.7000111.5I11 D17 R24 W348 M349 I350 T356I11-I352 HydrophobicContact CD1-CG1 4.06Å; I11-I352 HydrophobicContact CG1-CG1 4.43Å; D17-I352 HydrophobicContact CB-CD1 3.98Å; R24-I352 VanDerWaalsContact CD-CG2 3.42Å; W348-I352 HydrophobicContact CG-CD1 4.41Å; W348-I352 WeakPolarHBondContact O-CG1 3.45Å; W348-I352 PolarHBondContact O-N 3.06Å; W348-I352 VanDerWaalsContact O-N 3.07Å; M349-I352 HydrophobicContact CE-CD1 3.92Å; M349-I352 PolarHBondContact O-N 3.18Å; I350-I352 VanDerWaalsContact C-N 3.32Å; I350-I352 PolarHBondContact O-N 3.42Å; I352-T356 WeakPolarHBondContact O-CB 3.44Å; I352-T356 PolarHBondContact O-N 3.45Å; I352-T356 VanDerWaalsContact O-N 3.08Å; I352-T356 PolarHBondContact O-OG1 2.83Å
353I91.9Very high91.2Very high8 Ų827.2 Ų27.24%0.04114%0.135CC..Hα-helixtrans-64-46.8177.7-65.8159.2000109.9V29 H32 V33 M349 I350 T351 T356 L357 M364V29-I353 HydrophobicContact CG2-CG1 4.23Å; V29-I353 HydrophobicContact CG2-CG2 4.35Å; H32-I353 HydrophobicContact CB-CD1 4.06Å; H32-I353 HydrophobicContact CB-CG1 3.76Å; V33-I353 HydrophobicContact CB-CD1 4.47Å; V33-I353 HydrophobicContact CG2-CD1 3.85Å; V33-I353 HydrophobicContact CG2-CG1 4.15Å; V33-I353 HydrophobicContact CG2-CG2 4.33Å; M349-I353 WeakPolarHBondContact O-CD1 3.45Å; M349-I353 VanDerWaalsContact O-CG1 3.26Å; M349-I353 WeakPolarHBondContact O-CG1 3.27Å; M349-I353 PolarHBondContact O-N 3.38Å; M349-I353 VanDerWaalsContact O-N 3.09Å; I350-I353 HydrophobicContact CD1-CD1 4.27Å; I350-I353 WeakPolarHBondContact O-CB 3.4Å; I350-I353 PolarHBondContact O-N 3.4Å; T351-I353 VanDerWaalsContact C-N 3.34Å; T351-I353 PolarHBondContact O-N 3.49Å; I353-T356 PolarHBondContact O-N 2.93Å; I353-L357 HydrophobicContact CG2-CD1 3.77Å; I353-L357 HydrophobicContact CG2-CG 4.37Å; I353-L357 WeakPolarHBondContact O-CB 3.23Å; I353-L357 WeakPolarHBondContact O-CG 3.34Å; I353-L357 PolarHBondContact O-N 2.77Å; I353-M364 HydrophobicContact CB-CE 4.23Å; I353-M364 HydrophobicContact CG2-CE 3.88Å
354G90.4Very high91Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-57.2-51.3177.800000112.9I350 T351 T356 L357 K358 I359I350-G354 PolarHBondContact O-N 3.09Å; T351-G354 PolarHBondContact O-N 2.96Å; G354-T356 VanDerWaalsContact C-N 3.31Å; G354-T356 PolarHBondContact O-N 3.15Å; G354-L357 CarbonylContact O-C 3.56Å; G354-L357 PolarHBondContact O-N 2.72Å; G354-K358 PolarHBondContact O-N 2.85Å; G354-I359 PolarHBondContact O-N 3.43Å
355D88.8Confident90.9Very high19 Ų1924.1 Ų24.110%0.10212%0.123CC..Hα-helixtrans-60.9-38.4177.9177.956.5000112.5I11 R24 T351 K358 R498I11-D355 HydrophobicContact CB-CB 4.28Å; I11-D355 HydrophobicContact CD1-CB 4.02Å; I11-D355 WeakPolarHBondContact CD1-OD2 3.47Å; I11-D355 HydrophobicContact CG2-CB 3.87Å; R24-D355 IonicContact NH2-OD2 3.35Å; R24-D355 PolarHBondContact NH2-OD2 3.26Å; T351-D355 WeakPolarHBondContact O-CB 3.45Å; T351-D355 PolarHBondContact O-N 3.33Å; D355-K358 WeakPolarHBondContact O-CD 3.37Å; D355-K358 PolarHBondContact O-N 3.47Å; D355-K358 PolarHBondContact O-NZ 3.14Å; D355-K358 IonicContact OD1-NZ 3.17Å; D355-R498 IonicContact OD2-NH1 3.61Å; D355-R498 PolarHBondContact OD2-NH1 3.36Å
356T89.7Confident90.8Very high11 Ų1121.9 Ų21.97%0.06711%0.109CC..Hα-helixtrans-69.1-39.1178.6-56.30000111.8R24 Q25 V29 I352 I353 G354 K358R24-T356 HydrophobicContact CB-CG2 3.72Å; R24-T356 WeakPolarHBondContact CD-OG1 3.02Å; R24-T356 PolarHBondContact NE-OG1 3.43Å; Q25-T356 HydrophobicContact CG-CG2 4.08Å; V29-T356 HydrophobicContact CB-CG2 4.1Å; V29-T356 HydrophobicContact CG2-CG2 4.06Å; I352-T356 WeakPolarHBondContact O-CB 3.44Å; I352-T356 PolarHBondContact O-N 3.45Å; I352-T356 VanDerWaalsContact O-N 3.08Å; I352-T356 PolarHBondContact O-OG1 2.83Å; I353-T356 PolarHBondContact O-N 2.93Å; G354-T356 VanDerWaalsContact C-N 3.31Å; G354-T356 PolarHBondContact O-N 3.15Å; T356-K358 VanDerWaalsContact C-N 3.31Å
357L88.5Confident90.7Very high93 Ų9323 Ų2349%0.48712%0.116SC..Hα-helixtrans-84.6-3.9179-62.7179.3000113.3I353 G354 I359I353-L357 HydrophobicContact CG2-CD1 3.77Å; I353-L357 HydrophobicContact CG2-CG 4.37Å; I353-L357 WeakPolarHBondContact O-CB 3.23Å; I353-L357 WeakPolarHBondContact O-CG 3.34Å; I353-L357 PolarHBondContact O-N 2.77Å; G354-L357 CarbonylContact O-C 3.56Å; G354-L357 PolarHBondContact O-N 2.72Å; L357-I359 HydrophobicContact CB-CD1 3.82Å; L357-I359 HydrophobicContact CB-CG1 3.9Å; L357-I359 HydrophobicContact CD1-CD1 4.05Å; L357-I359 PolarHBondContact O-N 2.58Å
358K87Confident90.6Very high119 Ų11928.3 Ų28.352%0.51714%0.139SC..THydrogen-bonded Turntrans54.638.8-173.2-55-62.6174.1-156.20112.4E21 G354 D355 T356E21-K358 IonicContact OE1-NZ 3.3Å; E21-K358 PolarHBondContact OE1-NZ 3.46Å; G354-K358 PolarHBondContact O-N 2.85Å; D355-K358 WeakPolarHBondContact O-CD 3.37Å; D355-K358 PolarHBondContact O-N 3.47Å; D355-K358 PolarHBondContact O-NZ 3.14Å; D355-K358 IonicContact OD1-NZ 3.17Å; T356-K358 VanDerWaalsContact C-N 3.31Å
359I88.5Confident90.6Very high49 Ų4925.9 Ų25.925%0.25113%0.13SC..  trans-99.9131.9174.3-62.7175000108G354 L357 V363 M364G354-I359 PolarHBondContact O-N 3.43Å; L357-I359 HydrophobicContact CB-CD1 3.82Å; L357-I359 HydrophobicContact CB-CG1 3.9Å; L357-I359 HydrophobicContact CD1-CD1 4.05Å; L357-I359 PolarHBondContact O-N 2.58Å; I359-V363 HydrophobicContact CG2-CB 3.65Å; I359-V363 HydrophobicContact CG2-CG1 3.7Å; I359-V363 HydrophobicContact CG2-CG2 4.4Å; I359-M364 HydrophobicContact CB-CG 4.41Å; I359-M364 HydrophobicContact CB-SD 4.13Å; I359-M364 HydrophobicContact CD1-SD 4.36Å; I359-M364 HydrophobicContact CG2-CG 4Å; I359-M364 HydrophobicContact CG2-SD 3.84Å
360P87.3Confident90.6Very high33 Ų3324.9 Ų24.921%0.21413%0.125CC..  trans-57146.2177-23.833.1000113S362 V363 M364 L485P360-S362 PolarHBondContact O-N 3.23Å; P360-V363 HydrophobicContact CB-CG2 4.35Å; P360-V363 HydrophobicContact CG-CG2 4.41Å; P360-V363 PolarHBondContact O-N 2.69Å; P360-M364 PolarHBondContact O-N 3.49Å; P360-L485 HydrophobicContact CG-CD2 4.21Å
361D87.3Confident90.5Very high31 Ų3125.9 Ų25.917%0.16613%0.133CC..Hα-helixtrans-62.1-30.8-178.5-63.5-44.9000112.5A10 I97 M364 G365A10-D361 WeakPolarHBondContact CB-OD2 3.46Å; I97-D361 HydrophobicContact CB-CB 4.43Å; D361-M364 PolarHBondContact O-N 3.28Å; D361-G365 PolarHBondContact O-N 3.06Å
362S88.6Confident90.5Very high4 Ų426.3 Ų26.33%0.02814%0.138CC..Hα-helixtrans-60.1-43.9172.955.70000112.2P360 G365 I366 E484P360-S362 PolarHBondContact O-N 3.23Å; S362-G365 PolarHBondContact O-N 3.16Å; S362-I366 VanDerWaalsContact O-CG1 3.27Å; S362-I366 WeakPolarHBondContact O-CG1 3.17Å; S362-I366 PolarHBondContact O-N 3.4Å; S362-E484 VanDerWaalsContact CB-OE2 3.27Å; S362-E484 WeakPolarHBondContact CB-OE2 3.41Å; S362-E484 VanDerWaalsContact OG-CD 3.3Å; S362-E484 PolarHBondContact OG-OE2 3.19Å
363V91.1Very high90.5Very high10 Ų1026.7 Ų26.76%0.06114%0.141CC..Hα-helixtrans-66.2-43.8176.6179.30000110.6I359 P360 G365 I366 T367 E484 L485I359-V363 HydrophobicContact CG2-CB 3.65Å; I359-V363 HydrophobicContact CG2-CG1 3.7Å; I359-V363 HydrophobicContact CG2-CG2 4.4Å; P360-V363 HydrophobicContact CB-CG2 4.35Å; P360-V363 HydrophobicContact CG-CG2 4.41Å; P360-V363 PolarHBondContact O-N 2.69Å; V363-G365 VanDerWaalsContact C-N 3.26Å; V363-G365 PolarHBondContact O-N 3.02Å; V363-I366 PolarHBondContact O-N 3.39Å; V363-T367 HydrophobicContact CG1-CG2 4.11Å; V363-T367 WeakPolarHBondContact O-CB 3.34Å; V363-T367 WeakPolarHBondContact O-CG2 3.27Å; V363-T367 PolarHBondContact O-N 2.87Å; V363-T367 PolarHBondContact O-OG1 3.46Å; V363-E484 HydrophobicContact CG2-CB 3.28Å; V363-E484 HydrophobicContact CG2-CG 4.07Å; V363-L485 HydrophobicContact CG2-CG 4.49Å
364M92.2Very high90.4Very high1 Ų126.3 Ų26.31%0.00514%0.139CC..Hα-helixtrans-61.8-36.9177.1-65.5-58.7-62.300111.7I350 I353 I359 P360 D361 F368 L369I350-M364 HydrophobicContact CG2-CB 3.85Å; I350-M364 HydrophobicContact CG2-CE 3.88Å; I353-M364 HydrophobicContact CB-CE 4.23Å; I353-M364 HydrophobicContact CG2-CE 3.88Å; I359-M364 HydrophobicContact CB-CG 4.41Å; I359-M364 HydrophobicContact CB-SD 4.13Å; I359-M364 HydrophobicContact CD1-SD 4.36Å; I359-M364 HydrophobicContact CG2-CG 4Å; I359-M364 HydrophobicContact CG2-SD 3.84Å; P360-M364 PolarHBondContact O-N 3.49Å; D361-M364 PolarHBondContact O-N 3.28Å; M364-F368 HydrophobicContact CE-CB 4.34Å; M364-F368 HydrophobicContact CE-CD2 3.73Å; M364-F368 HydrophobicContact CE-CE2 4.36Å; M364-F368 HydrophobicContact CE-CG 4.2Å; M364-F368 PolarHBondContact O-N 3.48Å; M364-F368 VanDerWaalsContact O-N 3.1Å; M364-F368 HydrophobicContact SD-CD2 4.07Å; M364-L369 PolarHBondContact O-N 2.72Å
365G92.1Very high90.2Very high0 Ų029.7 Ų29.70%016%0.159CC..Iπ-helixtrans-61.9-57.9171.600000112.6T101 D361 S362 V363 T367 A370T101-G365 WeakPolarHBondContact CA-O 3.41Å; D361-G365 PolarHBondContact O-N 3.06Å; S362-G365 PolarHBondContact O-N 3.16Å; V363-G365 VanDerWaalsContact C-N 3.26Å; V363-G365 PolarHBondContact O-N 3.02Å; G365-T367 PolarHBondContact O-N 2.88Å; G365-A370 VanDerWaalsContact O-CB 3.28Å; G365-A370 WeakPolarHBondContact O-CB 3.13Å; G365-A370 PolarHBondContact O-N 3.35Å
366I91.9Very high89.9Confident4 Ų429.5 Ų29.52%0.02116%0.159CC..Iπ-helixtrans-62.6-28.2-176.8-64.2164.3000112.4G100 G104 S362 V363 A370 L436 F476 M477 E484G100-I366 VanDerWaalsContact O-CA 3.25Å; G100-I366 WeakPolarHBondContact O-CA 3.39Å; G100-I366 WeakPolarHBondContact O-CG1 3.03Å; G100-I366 PolarHBondContact O-N 3.5Å; G104-I366 WeakPolarHBondContact CA-O 3.2Å; S362-I366 VanDerWaalsContact O-CG1 3.27Å; S362-I366 WeakPolarHBondContact O-CG1 3.17Å; S362-I366 PolarHBondContact O-N 3.4Å; V363-I366 PolarHBondContact O-N 3.39Å; I366-A370 WeakPolarHBondContact O-CB 3.48Å; I366-L436 HydrophobicContact CD1-CD2 4.17Å; I366-F476 HydrophobicContact CG2-CE1 4.44Å; I366-M477 HydrophobicContact CG2-CE 4.31Å; I366-E484 HydrophobicContact CD1-CG 4.26Å
367T92.7Very high89.5Confident23 Ų2329.5 Ų29.514%0.14116%0.158CC..Iπ-helixtrans-100.4-78.3-174.759.50000112.7V363 G365 A371 M477V363-T367 HydrophobicContact CG1-CG2 4.11Å; V363-T367 WeakPolarHBondContact O-CB 3.34Å; V363-T367 WeakPolarHBondContact O-CG2 3.27Å; V363-T367 PolarHBondContact O-N 2.87Å; V363-T367 PolarHBondContact O-OG1 3.46Å; G365-T367 PolarHBondContact O-N 2.88Å; T367-A371 WeakPolarHBondContact O-CB 3.41Å; T367-A371 PolarHBondContact O-N 2.93Å; T367-M477 HydrophobicContact CG2-CE 3.22Å
368F92.1Very high89.5Confident113 Ų11325.4 Ų25.450%0.49614%0.138SC..Iπ-helixtrans-74.9-43.5-168.1-79.9-83.7000112.2I350 M364 G372I350-F368 HydrophobicContact CD1-CB 4.1Å; M364-F368 HydrophobicContact CE-CB 4.34Å; M364-F368 HydrophobicContact CE-CD2 3.73Å; M364-F368 HydrophobicContact CE-CE2 4.36Å; M364-F368 HydrophobicContact CE-CG 4.2Å; M364-F368 PolarHBondContact O-N 3.48Å; M364-F368 VanDerWaalsContact O-N 3.1Å; M364-F368 HydrophobicContact SD-CD2 4.07Å; F368-G372 PolarHBondContact O-N 3.35Å
369L93Very high89.3Confident0 Ų023.5 Ų23.50%014%0.136CC..Iπ-helixtrans-71-48.5-177.3-164.547.3000110.7F40 V85 I97 T101 V346 M364 A371 G372 T373F40-L369 HydrophobicContact CE1-CD1 3.89Å; F40-L369 HydrophobicContact CZ-CD1 3.88Å; V85-L369 HydrophobicContact CG1-CD2 3.41Å; V85-L369 VanDerWaalsContact CG1-CD2 3.41Å; V85-L369 HydrophobicContact CG1-CG 3.91Å; V85-L369 HydrophobicContact CG2-CD1 4.1Å; V85-L369 HydrophobicContact CG2-CD2 4.29Å; V85-L369 HydrophobicContact CG2-CG 4.27Å; I97-L369 HydrophobicContact CD1-CD2 3.95Å; I97-L369 HydrophobicContact CG1-CD2 3.83Å; T101-L369 HydrophobicContact CG2-CB 4.31Å; T101-L369 HydrophobicContact CG2-CG 3.95Å; T101-L369 WeakPolarHBondContact OG1-CD2 3.48Å; T101-L369 WeakPolarHBondContact OG1-CG 3.47Å; V346-L369 HydrophobicContact CG1-CD1 3.46Å; V346-L369 VanDerWaalsContact CG1-CD1 3.46Å; M364-L369 PolarHBondContact O-N 2.72Å; L369-A371 PolarHBondContact O-N 3.38Å; L369-G372 PolarHBondContact O-N 3.21Å; L369-T373 HydrophobicContact CD1-CG2 4.48Å; L369-T373 PolarHBondContact O-N 3.39Å; L369-T373 PolarHBondContact O-OG1 2.94Å
370A93.1Very high88.9Confident1 Ų123.7 Ų23.71%0.00814%0.142CC..Hα-helixtrans-54.7-51.6173.900000113.5G104 S105 G365 I366 G372 T373 S374G104-A370 VanDerWaalsContact C-CB 3.43Å; S105-A370 VanDerWaalsContact N-CB 3.28Å; S105-A370 WeakPolarHBondContact OG-CA 3.4Å; S105-A370 PolarHBondContact OG-O 2.87Å; G365-A370 VanDerWaalsContact O-CB 3.28Å; G365-A370 WeakPolarHBondContact O-CB 3.13Å; G365-A370 PolarHBondContact O-N 3.35Å; I366-A370 WeakPolarHBondContact O-CB 3.48Å; A370-G372 VanDerWaalsContact C-N 3.3Å; A370-G372 PolarHBondContact O-N 3.28Å; A370-T373 PolarHBondContact O-OG1 3.34Å; A370-S374 WeakPolarHBondContact O-CB 3.44Å; A370-S374 PolarHBondContact O-N 3.1Å; A370-S374 PolarHBondContact O-OG 3.5Å; A370-S374 VanDerWaalsContact O-OG 3.11Å
371A92.1Very high88.7Confident23 Ų2322.3 Ų22.319%0.1913%0.133CC..Hα-helixtrans-63.7-39.3177.900000111.2F108 T367 L369 S374 V375F108-A371 HydrophobicContact CD2-CB 4.1Å; F108-A371 HydrophobicContact CE2-CB 4Å; T367-A371 WeakPolarHBondContact O-CB 3.41Å; T367-A371 PolarHBondContact O-N 2.93Å; L369-A371 PolarHBondContact O-N 3.38Å; A371-S374 PolarHBondContact O-N 2.86Å; A371-V375 WeakPolarHBondContact O-CB 3.45Å; A371-V375 WeakPolarHBondContact O-CG2 3.31Å; A371-V375 PolarHBondContact O-N 2.88Å
372G91.1Very high88.6Confident11 Ų1121.9 Ų21.911%0.11313%0.131CC..Hα-helixtrans-65.4-40.3-17800000114F40 F368 L369 A370F40-G372 VanDerWaalsContact CD1-CA 3.44Å; F40-G372 WeakPolarHBondContact CD1-O 3.44Å; F40-G372 VanDerWaalsContact CE1-CA 3.48Å; F368-G372 PolarHBondContact O-N 3.35Å; L369-G372 PolarHBondContact O-N 3.21Å; A370-G372 VanDerWaalsContact C-N 3.3Å; A370-G372 PolarHBondContact O-N 3.28Å
373T90.4Very high88.2Confident7 Ų725.4 Ų25.44%0.04315%0.149CC..Hα-helixtrans-76.4-30.5177.861.60000112.8F40 P81 E82 V85 S105 L369 A370 P376F40-T373 HydrophobicContact CE1-CG2 4.39Å; P81-T373 HydrophobicContact CB-CG2 3.91Å; E82-T373 WeakPolarHBondContact OE1-CB 3.4Å; E82-T373 PolarHBondContact OE1-OG1 2.91Å; V85-T373 HydrophobicContact CG2-CG2 4.35Å; S105-T373 PolarHBondContact OG-OG1 3.25Å; L369-T373 HydrophobicContact CD1-CG2 4.48Å; L369-T373 PolarHBondContact O-N 3.39Å; L369-T373 PolarHBondContact O-OG1 2.94Å; A370-T373 PolarHBondContact O-OG1 3.34Å; T373-P376 VanDerWaalsContact O-CD 3.25Å; T373-P376 WeakPolarHBondContact O-CD 3.42Å
374S90.8Very high87.6Confident0 Ų026.8 Ų26.80%016%0.157CC..Hα-helixtrans-98.4-7-173.8-47.90000115.1E82 S105 F108 A370 A371 P376 E377 A378E82-S374 PolarHBondContact OE1-OG 3.45Å; E82-S374 VanDerWaalsContact OE1-OG 3.06Å; S105-S374 VanDerWaalsContact CB-OG 3.25Å; S105-S374 WeakPolarHBondContact CB-OG 3.29Å; S105-S374 PolarHBondContact OG-OG 2.76Å; F108-S374 WeakPolarHBondContact CE1-O 3.33Å; A370-S374 WeakPolarHBondContact O-CB 3.44Å; A370-S374 PolarHBondContact O-N 3.1Å; A370-S374 PolarHBondContact O-OG 3.5Å; A370-S374 VanDerWaalsContact O-OG 3.11Å; A371-S374 PolarHBondContact O-N 2.86Å; S374-P376 VanDerWaalsContact C-CD 3.42Å; S374-E377 WeakPolarHBondContact O-CB 3.4Å; S374-E377 PolarHBondContact O-N 3.04Å; S374-A378 PolarHBondContact O-N 3.27Å; S374-A378 VanDerWaalsContact O-N 3.13Å
375V87Confident87.1Confident71 Ų7126.7 Ų26.743%0.4316%0.157SC..Hα-helixtrans-55.1-43.1171.3158.80000113.8F108 A371 E377 A378 V379F108-V375 HydrophobicContact CZ-CG2 3.87Å; A371-V375 WeakPolarHBondContact O-CB 3.45Å; A371-V375 WeakPolarHBondContact O-CG2 3.31Å; A371-V375 PolarHBondContact O-N 2.88Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 3.19Å; V375-A378 PolarHBondContact O-N 3.3Å; V375-V379 HydrophobicContact CG1-CG2 4.49Å; V375-V379 WeakPolarHBondContact O-CG2 3.39Å; V375-V379 PolarHBondContact O-N 3.43Å
376P80.8Confident86.6Confident15 Ų1532.4 Ų32.410%0.09718%0.182CC..Hα-helixtrans-59.7-41.4177.6-22.836.1000111.9A44 T373 S374 A378 V379 S380A44-P376 HydrophobicContact CB-CB 4Å; A44-P376 HydrophobicContact CB-CG 3.37Å; T373-P376 VanDerWaalsContact O-CD 3.25Å; T373-P376 WeakPolarHBondContact O-CD 3.42Å; S374-P376 VanDerWaalsContact C-CD 3.42Å; P376-A378 PolarHBondContact O-N 3.28Å; P376-V379 PolarHBondContact O-N 2.58Å; P376-S380 PolarHBondContact O-N 3.37Å
377E83.1Confident86Confident11 Ų1139.8 Ų39.85%0.05121%0.209CC..Hα-helixtrans-60.6-44.5175.2-56.6-161.3148.600111.4T78 N109 S374 V375 V379 S380 S381T78-E377 WeakPolarHBondContact CB-OE1 3.38Å; T78-E377 PolarHBondContact OG1-OE1 3.1Å; N109-E377 PolarHBondContact ND2-OE2 3.19Å; N109-E377 PolarHBondContact OD1-OE2 2.89Å; S374-E377 WeakPolarHBondContact O-CB 3.4Å; S374-E377 PolarHBondContact O-N 3.04Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 3.19Å; E377-V379 VanDerWaalsContact C-N 3.34Å; E377-V379 PolarHBondContact O-N 3.06Å; E377-S380 PolarHBondContact O-N 3.19Å; E377-S381 WeakPolarHBondContact O-CB 3.18Å; E377-S381 PolarHBondContact O-N 3.13Å; E377-S381 PolarHBondContact O-OG 2.96Å
378A86.7Confident85.1Confident7 Ų740.4 Ų40.46%0.05822%0.221CC..Hα-helixtrans-60.9-41175.700000112.8F108 V113 S374 V375 P376 V382F108-A378 HydrophobicContact CE1-CB 3.85Å; F108-A378 HydrophobicContact CZ-CB 4.4Å; V113-A378 HydrophobicContact CG2-CB 3.87Å; S374-A378 PolarHBondContact O-N 3.27Å; S374-A378 VanDerWaalsContact O-N 3.13Å; V375-A378 PolarHBondContact O-N 3.3Å; P376-A378 PolarHBondContact O-N 3.28Å; A378-V382 WeakPolarHBondContact O-CG2 3.4Å; A378-V382 PolarHBondContact O-N 2.82Å
379V83.8Confident84.3Confident79 Ų7939.6 Ų39.648%0.47922%0.218SC..Hα-helixtrans-64.1-46.7177.21730000110.4V375 P376 E377 V382 I383V375-V379 HydrophobicContact CG1-CG2 4.49Å; V375-V379 WeakPolarHBondContact O-CG2 3.39Å; V375-V379 PolarHBondContact O-N 3.43Å; P376-V379 PolarHBondContact O-N 2.58Å; E377-V379 VanDerWaalsContact C-N 3.34Å; E377-V379 PolarHBondContact O-N 3.06Å; V379-V382 PolarHBondContact O-N 3.25Å; V379-I383 HydrophobicContact CG1-CD1 3.87Å; V379-I383 VanDerWaalsContact O-CG1 3.27Å; V379-I383 WeakPolarHBondContact O-CG1 3.35Å; V379-I383 PolarHBondContact O-N 2.98Å
380S79.4Confident83.3Confident53 Ų5339.6 Ų39.637%0.37122%0.218SC..Hα-helixtrans-60-48.3177.4-1740000111.9P376 E377 V382 I383 V384P376-S380 PolarHBondContact O-N 3.37Å; E377-S380 PolarHBondContact O-N 3.19Å; S380-V382 VanDerWaalsContact C-N 3.33Å; S380-V382 PolarHBondContact O-N 3.28Å; S380-I383 WeakPolarHBondContact O-CB 3.44Å; S380-I383 PolarHBondContact O-N 3.44Å; S380-I383 VanDerWaalsContact O-N 3.07Å; S380-V384 WeakPolarHBondContact O-CG2 3.44Å; S380-V384 PolarHBondContact O-N 3.26Å
381S84.4Confident82.5Confident4 Ų440.2 Ų40.23%0.02822%0.222CC..Hα-helixtrans-60.7-38.7178.3-71.40000112.6V113 E377 V384 A385 G393 S397V113-S381 VanDerWaalsContact CG1-CB 3.45Å; E377-S381 WeakPolarHBondContact O-CB 3.18Å; E377-S381 PolarHBondContact O-N 3.13Å; E377-S381 PolarHBondContact O-OG 2.96Å; S381-V384 PolarHBondContact O-N 3.39Å; S381-A385 WeakPolarHBondContact O-CB 3.24Å; S381-A385 PolarHBondContact O-N 3Å; S381-G393 PolarHBondContact OG-O 3.39Å; S381-S397 PolarHBondContact OG-OG 3.18Å
382V84.8Confident81.5Confident22 Ų2243.1 Ų43.113%0.13323%0.233CC..Hα-helixtrans-65.5-40.1173.9171.40000111.9C116 A378 V379 S380 A385 K386C116-V382 VanDerWaalsContact C-CG2 3.49Å; C116-V382 HydrophobicContact CB-CG2 3.58Å; A378-V382 WeakPolarHBondContact O-CG2 3.4Å; A378-V382 PolarHBondContact O-N 2.82Å; V379-V382 PolarHBondContact O-N 3.25Å; S380-V382 VanDerWaalsContact C-N 3.33Å; S380-V382 PolarHBondContact O-N 3.28Å; V382-A385 PolarHBondContact O-N 3.4Å; V382-K386 HydrophobicContact CG1-CD 4.47Å; V382-K386 WeakPolarHBondContact O-CG 3.34Å; V382-K386 PolarHBondContact O-N 3.43Å
383I80.5Confident80.6Confident78 Ų7842.7 Ų42.740%0.423%0.229SC..Hα-helixtrans-63.8-46.5178.5-68.5163.7000110.1V379 S380 A385 K386 R387V379-I383 HydrophobicContact CG1-CD1 3.87Å; V379-I383 VanDerWaalsContact O-CG1 3.27Å; V379-I383 WeakPolarHBondContact O-CG1 3.35Å; V379-I383 PolarHBondContact O-N 2.98Å; S380-I383 WeakPolarHBondContact O-CB 3.44Å; S380-I383 PolarHBondContact O-N 3.44Å; S380-I383 VanDerWaalsContact O-N 3.07Å; I383-A385 VanDerWaalsContact C-N 3.34Å; I383-K386 PolarHBondContact O-N 3.44Å; I383-R387 WeakPolarHBondContact O-CG 3.29Å; I383-R387 PolarHBondContact O-N 3.41Å
384V77.5Confident80.1Confident39 Ų3942.6 Ų42.624%0.23623%0.228CC..Hα-helixtrans-64.3-40.6177175.90000111.1S380 S381 K386 R387 H389S380-V384 WeakPolarHBondContact O-CG2 3.44Å; S380-V384 PolarHBondContact O-N 3.26Å; S381-V384 PolarHBondContact O-N 3.39Å; V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 PolarHBondContact O-N 3.21Å; V384-R387 WeakPolarHBondContact O-CB 3.44Å; V384-R387 PolarHBondContact O-N 3.24Å; V384-R387 VanDerWaalsContact O-N 3.08Å; V384-H389 HydrophobicContact CG1-CB 3.88Å; V384-H389 WeakPolarHBondContact CG1-O 3.46Å; V384-H389 PolarHBondContact O-N 3.16Å
385A81.1Confident79.4Confident0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-60.6-41175.300000112.9C117 A121 I125 S381 V382 I383 R387 G388C117-A385 HydrophobicContact CB-CB 4.2Å; A121-A385 HydrophobicContact CB-CB 4.47Å; I125-A385 HydrophobicContact CD1-CB 3.71Å; S381-A385 WeakPolarHBondContact O-CB 3.24Å; S381-A385 PolarHBondContact O-N 3Å; V382-A385 PolarHBondContact O-N 3.4Å; I383-A385 VanDerWaalsContact C-N 3.34Å; A385-R387 PolarHBondContact O-N 3.16Å; A385-G388 PolarHBondContact O-N 3.19Å
386K82.3Confident78.9Confident119 Ų11942.8 Ų42.852%0.51723%0.228SC..Hα-helixtrans-64-23.6174.6-80.3-177.7175.9-176.60113.8G120 A121 V382 I383 V384 G388G120-K386 WeakPolarHBondContact O-CE 3.45Å; G120-K386 PolarHBondContact O-NZ 3.22Å; A121-K386 HydrophobicContact CB-CG 4.33Å; V382-K386 HydrophobicContact CG1-CD 4.47Å; V382-K386 WeakPolarHBondContact O-CG 3.34Å; V382-K386 PolarHBondContact O-N 3.43Å; I383-K386 PolarHBondContact O-N 3.44Å; V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 PolarHBondContact O-N 3.21Å; K386-G388 PolarHBondContact O-N 3.41Å
387R79.6Confident79Confident159 Ų15942.1 Ų42.160%0.622%0.224SC*.THydrogen-bonded Turntrans-82.52.5175.1-64.3175.5-176.1-1761.3112.8I383 V384 A385I383-R387 WeakPolarHBondContact O-CG 3.29Å; I383-R387 PolarHBondContact O-N 3.41Å; V384-R387 WeakPolarHBondContact O-CB 3.44Å; V384-R387 PolarHBondContact O-N 3.24Å; V384-R387 VanDerWaalsContact O-N 3.08Å; A385-R387 PolarHBondContact O-N 3.16Å
388G73.2Confident79Confident37 Ų3741.7 Ų41.738%0.38122%0.221SC..THydrogen-bonded Turntrans90.9-3.8179.900000114.4A385 K386 G390A385-G388 PolarHBondContact O-N 3.19Å; K386-G388 PolarHBondContact O-N 3.41Å; G388-G390 PolarHBondContact O-N 3.14Å
389H75.9Confident78.6Confident96 Ų9641.9 Ų41.944%0.44423%0.225SC..  trans-10039.8-178.8-62.6-74.2000112.5V384 S391 M392 G393V384-H389 HydrophobicContact CG1-CB 3.88Å; V384-H389 WeakPolarHBondContact CG1-O 3.46Å; V384-H389 PolarHBondContact O-N 3.16Å; H389-S391 VanDerWaalsContact C-N 3.3Å; H389-S391 PolarHBondContact O-N 3.27Å; H389-M392 HydrophobicContact CB-CB 4.5Å; H389-M392 WeakPolarHBondContact O-CB 3.36Å; H389-M392 PolarHBondContact O-N 2.85Å; H389-M392 VanDerWaalsContact O-N 3.08Å; H389-G393 PolarHBondContact O-N 3.48Å
390G72.6Confident78.7Confident0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-70.3-20.7-172.600000115.4G388 M392 G393 I394G388-G390 PolarHBondContact O-N 3.14Å; G390-M392 VanDerWaalsContact C-N 3.26Å; G390-M392 PolarHBondContact O-N 2.82Å; G390-G393 PolarHBondContact O-N 3.14Å; G390-I394 PolarHBondContact O-N 3.36Å
391S75.4Confident79.2Confident14 Ų1435.6 Ų35.610%0.09818%0.184CC..Hα-helixtrans-56.1-43.2167.5-168.40000110.9D128 H389 C395D128-S391 WeakPolarHBondContact CB-OG 3.39Å; D128-S391 PolarHBondContact N-OG 3.08Å; D128-S391 VanDerWaalsContact N-OG 3.11Å; D128-S391 VanDerWaalsContact OD2-CB 3.28Å; D128-S391 WeakPolarHBondContact OD2-CB 3.49Å; D128-S391 PolarHBondContact OD2-OG 2.99Å; H389-S391 VanDerWaalsContact C-N 3.3Å; H389-S391 PolarHBondContact O-N 3.27Å; S391-C395 WeakPolarHBondContact O-CB 3.4Å; S391-C395 PolarHBondContact O-N 2.93Å; S391-C395 VanDerWaalsContact O-N 3.11Å; S391-C395 PolarHBondContact O-SG 3.44Å
392M71.2Confident79.4Confident83 Ų8335.4 Ų35.441%0.40918%0.183SC..Hα-helixtrans-67.5-42.5179.1-168-178.5-171.700112.3H389 G390 I394 N396H389-M392 HydrophobicContact CB-CB 4.5Å; H389-M392 WeakPolarHBondContact O-CB 3.36Å; H389-M392 PolarHBondContact O-N 2.85Å; H389-M392 VanDerWaalsContact O-N 3.08Å; G390-M392 VanDerWaalsContact C-N 3.26Å; G390-M392 PolarHBondContact O-N 2.82Å; M392-I394 PolarHBondContact O-N 3.36Å; M392-N396 VanDerWaalsContact O-CB 3.25Å; M392-N396 WeakPolarHBondContact O-CB 3.24Å; M392-N396 PolarHBondContact O-N 2.73Å
393G71.8Confident79.7Confident3 Ų335 Ų353%0.03118%0.179CC..Hα-helixtrans-62.6-42.3-179.700000113.1S381 H389 G390 S397S381-G393 PolarHBondContact OG-O 3.39Å; H389-G393 PolarHBondContact O-N 3.48Å; G390-G393 PolarHBondContact O-N 3.14Å; G393-S397 PolarHBondContact O-N 3.23Å; G393-S397 PolarHBondContact O-OG 3.13Å
394I81.3Confident80.3Confident4 Ų431.2 Ų31.22%0.02116%0.16CC..Hα-helixtrans-73.6-43.5179.9-61.2174.1000111.2L127 L132 G390 M392 N396 S397 I398 F454 L461L127-I394 HydrophobicContact CD1-CD1 4.08Å; L127-I394 HydrophobicContact CD2-CD1 3.61Å; L132-I394 HydrophobicContact CD1-CG2 4.32Å; G390-I394 PolarHBondContact O-N 3.36Å; M392-I394 PolarHBondContact O-N 3.36Å; I394-N396 VanDerWaalsContact C-N 3.29Å; I394-N396 PolarHBondContact O-N 2.94Å; I394-S397 PolarHBondContact O-N 2.97Å; I394-I398 HydrophobicContact CG2-CD1 3.93Å; I394-I398 WeakPolarHBondContact O-CG1 3.47Å; I394-I398 PolarHBondContact O-N 3.25Å; I394-F454 HydrophobicContact CD1-CZ 4.47Å; I394-F454 HydrophobicContact CG2-CE2 4.49Å; I394-L461 HydrophobicContact CD1-CD2 3.55Å
395C75.1Confident81Confident17 Ų1729.5 Ų29.512%0.11515%0.149CC..Hα-helixtrans-64.6-35.3177.9-64.90000111.8S391 I398 G399S391-C395 WeakPolarHBondContact O-CB 3.4Å; S391-C395 PolarHBondContact O-N 2.93Å; S391-C395 VanDerWaalsContact O-N 3.11Å; S391-C395 PolarHBondContact O-SG 3.44Å; C395-I398 PolarHBondContact O-N 3.17Å; C395-G399 PolarHBondContact O-N 3.48Å
396N77.3Confident81.6Confident59 Ų5929.5 Ų29.532%0.31615%0.149SC..Hα-helixtrans-60-47.2173.4-172.759.2000111.6M392 I394 I398 G399 S400M392-N396 VanDerWaalsContact O-CB 3.25Å; M392-N396 WeakPolarHBondContact O-CB 3.24Å; M392-N396 PolarHBondContact O-N 2.73Å; I394-N396 VanDerWaalsContact C-N 3.29Å; I394-N396 PolarHBondContact O-N 2.94Å; N396-I398 VanDerWaalsContact C-N 3.33Å; N396-I398 PolarHBondContact O-N 3.35Å; N396-G399 PolarHBondContact O-N 3.43Å; N396-S400 PolarHBondContact O-N 3.45Å; N396-S400 PolarHBondContact O-OG 3.06Å
397S81.9Confident82.1Confident1 Ų125.4 Ų25.41%0.00713%0.133CC..Hα-helixtrans-66.6-29.5177.2-63.40000113.6S381 G393 I394 S400 N401S381-S397 PolarHBondContact OG-OG 3.18Å; G393-S397 PolarHBondContact O-N 3.23Å; G393-S397 PolarHBondContact O-OG 3.13Å; I394-S397 PolarHBondContact O-N 2.97Å; S397-S400 PolarHBondContact O-OG 3.47Å; S397-S400 VanDerWaalsContact O-OG 3.04Å; S397-N401 VanDerWaalsContact O-CG 3.24Å; S397-N401 PolarHBondContact O-OD1 3.39Å
398I83Confident82.7Confident1 Ų117.8 Ų17.81%0.00510%0.104CC..Hα-helixtrans-75.4-37.1173.7-65169.2000110.7L132 D135 I394 C395 N396 N401 T402L132-I398 HydrophobicContact CD1-CD1 3.64Å; D135-I398 HydrophobicContact CB-CG2 3.85Å; I394-I398 HydrophobicContact CG2-CD1 3.93Å; I394-I398 WeakPolarHBondContact O-CG1 3.47Å; I394-I398 PolarHBondContact O-N 3.25Å; C395-I398 PolarHBondContact O-N 3.17Å; N396-I398 VanDerWaalsContact C-N 3.33Å; N396-I398 PolarHBondContact O-N 3.35Å; I398-N401 PolarHBondContact O-N 2.88Å; I398-T402 PolarHBondContact O-N 3.24Å
399G79.2Confident83.7Confident12 Ų1216 Ų1612%0.1249%0.086CC..Hα-helixtrans-64.9-42.7176.600000113C395 N396 N401 T402 F403C395-G399 PolarHBondContact O-N 3.48Å; N396-G399 PolarHBondContact O-N 3.43Å; G399-N401 VanDerWaalsContact C-N 3.3Å; G399-N401 PolarHBondContact O-N 3.17Å; G399-T402 WeakPolarHBondContact O-CB 3.38Å; G399-T402 PolarHBondContact O-N 3.36Å; G399-T402 VanDerWaalsContact O-N 3.14Å; G399-F403 PolarHBondContact O-N 2.79Å
400S84.8Confident84.5Confident0 Ų011.5 Ų11.50%07%0.065CC..Hα-helixtrans-60.8-37.9175.556.30000111.9S79 N396 S397 T402 F403 D404S79-S400 WeakPolarHBondContact OG-CB 3.45Å; N396-S400 PolarHBondContact O-N 3.45Å; N396-S400 PolarHBondContact O-OG 3.06Å; S397-S400 PolarHBondContact O-OG 3.47Å; S397-S400 VanDerWaalsContact O-OG 3.04Å; S400-T402 VanDerWaalsContact C-N 3.25Å; S400-T402 PolarHBondContact O-N 3.46Å; S400-F403 CarbonylContact O-C 3.38Å; S400-F403 WeakPolarHBondContact O-CA 3.34Å; S400-F403 VanDerWaalsContact O-CB 3.28Å; S400-F403 WeakPolarHBondContact O-CB 3.29Å; S400-F403 PolarHBondContact O-N 2.91Å; S400-D404 PolarHBondContact O-N 2.74Å
401N90.1Very high85.5Confident0 Ų013.8 Ų13.80%08%0.079CC..Hα-helixtrans-61.9-32.2175.8-66.3-7.3000113.8A106 N109 I110 Y139 S397 I398 G399 D404 I405A106-N401 WeakPolarHBondContact CA-ND2 3.46Å; A106-N401 HydrophobicContact CB-CB 4.32Å; A106-N401 PolarHBondContact O-ND2 3.38Å; N109-N401 WeakPolarHBondContact CB-OD1 3.46Å; N109-N401 PolarHBondContact ND2-OD1 2.85Å; I110-N401 WeakPolarHBondContact CG1-ND2 3.17Å; Y139-N401 HydrophobicContact CD2-CB 3.99Å; Y139-N401 HydrophobicContact CE2-CB 3.54Å; S397-N401 VanDerWaalsContact O-CG 3.24Å; S397-N401 PolarHBondContact O-OD1 3.39Å; I398-N401 PolarHBondContact O-N 2.88Å; G399-N401 VanDerWaalsContact C-N 3.3Å; G399-N401 PolarHBondContact O-N 3.17Å; N401-D404 PolarHBondContact O-N 3.09Å; N401-I405 WeakPolarHBondContact O-CG1 3.5Å; N401-I405 PolarHBondContact O-N 3.08Å
402T89.7Confident86.4Confident0 Ų013.2 Ų13.20%08%0.075CC..Hα-helixtrans-70-40.1174.2-62.10000110.7T142 Y170 I398 G399 S400 D404 L406T142-T402 HydrophobicContact CG2-CG2 4.04Å; Y170-T402 HydrophobicContact CD1-CG2 4.03Å; Y170-T402 HydrophobicContact CD2-CG2 4.14Å; Y170-T402 HydrophobicContact CE1-CG2 3.88Å; Y170-T402 HydrophobicContact CE2-CG2 4Å; Y170-T402 HydrophobicContact CG-CG2 4.14Å; I398-T402 PolarHBondContact O-N 3.24Å; G399-T402 WeakPolarHBondContact O-CB 3.38Å; G399-T402 PolarHBondContact O-N 3.36Å; G399-T402 VanDerWaalsContact O-N 3.14Å; S400-T402 VanDerWaalsContact C-N 3.25Å; S400-T402 PolarHBondContact O-N 3.46Å; T402-D404 VanDerWaalsContact C-N 3.34Å; T402-L406 HydrophobicContact CG2-CD1 3.86Å; T402-L406 HydrophobicContact CG2-CG 4.47Å; T402-L406 WeakPolarHBondContact O-CB 3.38Å; T402-L406 VanDerWaalsContact O-CG 3.31Å; T402-L406 WeakPolarHBondContact O-CG 3.26Å; T402-L406 PolarHBondContact O-N 3.02Å; T402-L406 VanDerWaalsContact O-N 3.13Å
403F89.8Confident87.5Confident12 Ų129.4 Ų9.45%0.0536%0.056CC..Hα-helixtrans-60.9-43.2172171.8-91.4000111.4A76 Y167 G399 S400 L406 L407 C408A76-F403 VanDerWaalsContact CA-CZ 3.42Å; A76-F403 HydrophobicContact CB-CD2 4.34Å; A76-F403 HydrophobicContact CB-CE1 4.12Å; A76-F403 HydrophobicContact CB-CE2 3.47Å; A76-F403 VanDerWaalsContact CB-CE2 3.47Å; A76-F403 HydrophobicContact CB-CZ 3.36Å; Y167-F403 HydrophobicContact CE1-CD2 4.36Å; Y167-F403 HydrophobicContact CE2-CB 4.18Å; Y167-F403 AromaticContact CE2-CD2 3.92Å; Y167-F403 HydrophobicContact CE2-CD2 3.92Å; Y167-F403 AromaticContact CZ-CD2 3.65Å; Y167-F403 WeakPolarHBondContact OH-CD2 3.4Å; G399-F403 PolarHBondContact O-N 2.79Å; S400-F403 CarbonylContact O-C 3.38Å; S400-F403 WeakPolarHBondContact O-CA 3.34Å; S400-F403 VanDerWaalsContact O-CB 3.28Å; S400-F403 WeakPolarHBondContact O-CB 3.29Å; S400-F403 PolarHBondContact O-N 2.91Å; F403-L406 PolarHBondContact O-N 3.37Å; F403-L407 HydrophobicContact CD2-CB 4.24Å; F403-L407 HydrophobicContact CD2-CD1 3.79Å; F403-L407 HydrophobicContact CD2-CG 4.41Å; F403-L407 HydrophobicContact CE2-CB 4.05Å; F403-L407 HydrophobicContact CE2-CD1 3.4Å; F403-L407 HydrophobicContact CE2-CG 4.29Å; F403-L407 HydrophobicContact CZ-CB 4.34Å; F403-L407 HydrophobicContact CZ-CD1 4.27Å; F403-L407 WeakPolarHBondContact O-CA 3.47Å; F403-L407 WeakPolarHBondContact O-CB 3.17Å; F403-L407 PolarHBondContact O-N 2.93Å; F403-C408 WeakPolarHBondContact CE1-SG 3.36Å; F403-C408 PolarHBondContact O-N 3.47Å
404D92.8Very high88.6Confident0 Ų010.9 Ų10.90%06%0.063CC..Iπ-helixtrans-63.4-45.7-178.3-74.9-23.7000113.3S79 I102 S400 N401 T402 C408 L409S79-D404 WeakPolarHBondContact CB-OD1 3.3Å; I102-D404 HydrophobicContact CD1-CB 4.14Å; I102-D404 HydrophobicContact CG2-CB 3.97Å; S400-D404 PolarHBondContact O-N 2.74Å; N401-D404 PolarHBondContact O-N 3.09Å; T402-D404 VanDerWaalsContact C-N 3.34Å; D404-C408 HydrophobicContact CB-CB 4.4Å; D404-C408 CarbonylContact O-C 3.51Å; D404-C408 WeakPolarHBondContact O-CA 3.46Å; D404-C408 WeakPolarHBondContact O-CB 3.47Å; D404-C408 PolarHBondContact O-N 3.5Å; D404-C408 VanDerWaalsContact O-N 3.1Å; D404-C408 PolarHBondContact OD1-SG 3.44Å; D404-L409 PolarHBondContact O-N 3.28Å
405I93.3Very high89.2Confident2 Ų213.9 Ų13.91%0.018%0.078CC..Iπ-helixtrans-68.8-44.2178.6-67.6177.8000111I102 Y139 V143 L146 N401 L409 L443I102-I405 HydrophobicContact CG2-CG1 4.18Å; Y139-I405 HydrophobicContact CD2-CD1 4.48Å; Y139-I405 HydrophobicContact CE2-CD1 3.59Å; V143-I405 HydrophobicContact CG2-CD1 3.71Å; L146-I405 HydrophobicContact CB-CG2 4.09Å; L146-I405 HydrophobicContact CD1-CG2 4.42Å; L146-I405 HydrophobicContact CD2-CD1 4.15Å; L146-I405 HydrophobicContact CD2-CG1 4.27Å; L146-I405 HydrophobicContact CD2-CG2 3.98Å; L146-I405 HydrophobicContact CG-CG2 4.39Å; N401-I405 WeakPolarHBondContact O-CG1 3.5Å; N401-I405 PolarHBondContact O-N 3.08Å; I405-L409 WeakPolarHBondContact O-CB 3.31Å; I405-L443 HydrophobicContact CD1-CD2 4.49Å
406L93.4Very high89.9Confident0 Ų013.7 Ų13.70%08%0.075CC..Iπ-helixtrans-83.5-38.3-170.9-60.6-179000113.6T142 L163 L166 Y167 T402 F403 G410T142-L406 HydrophobicContact CG2-CD1 3.68Å; T142-L406 HydrophobicContact CG2-CD2 3.84Å; T142-L406 HydrophobicContact CG2-CG 3.91Å; L163-L406 CarbonylContact C-O 3.52Å; L163-L406 HydrophobicContact CD2-CD2 4.08Å; L166-L406 HydrophobicContact CB-CD2 4.29Å; L166-L406 HydrophobicContact CD2-CD2 3.81Å; L166-L406 HydrophobicContact CG-CD1 4.27Å; L166-L406 HydrophobicContact CG-CD2 4.27Å; Y167-L406 HydrophobicContact CD2-CB 4.13Å; Y167-L406 HydrophobicContact CD2-CD1 4.11Å; Y167-L406 HydrophobicContact CG-CB 4.34Å; T402-L406 HydrophobicContact CG2-CD1 3.86Å; T402-L406 HydrophobicContact CG2-CG 4.47Å; T402-L406 WeakPolarHBondContact O-CB 3.38Å; T402-L406 VanDerWaalsContact O-CG 3.31Å; T402-L406 WeakPolarHBondContact O-CG 3.26Å; T402-L406 PolarHBondContact O-N 3.02Å; T402-L406 VanDerWaalsContact O-N 3.13Å; F403-L406 PolarHBondContact O-N 3.37Å; L406-G410 WeakPolarHBondContact O-CA 3.49Å
407L92.6Very high90.5Very high33 Ų3310.9 Ų10.917%0.1736%0.06CC..Iπ-helixtrans-104-48179.3-75.4-171.4000113.2V164 Y167 F403 L409 G410 V411V164-L407 HydrophobicContact CG1-CD2 4.05Å; V164-L407 HydrophobicContact CG2-CD2 4.49Å; Y167-L407 HydrophobicContact CD1-CD1 3.26Å; Y167-L407 HydrophobicContact CD1-CD2 3.87Å; Y167-L407 HydrophobicContact CD1-CG 3.45Å; Y167-L407 VanDerWaalsContact CD1-CG 3.45Å; Y167-L407 HydrophobicContact CD2-CD1 4.48Å; Y167-L407 HydrophobicContact CD2-CG 4.22Å; Y167-L407 HydrophobicContact CE1-CD1 3.16Å; Y167-L407 HydrophobicContact CE1-CG 3.86Å; Y167-L407 HydrophobicContact CE2-CD1 4.43Å; Y167-L407 HydrophobicContact CG-CD1 3.95Å; Y167-L407 HydrophobicContact CG-CD2 4.17Å; Y167-L407 HydrophobicContact CG-CG 3.65Å; F403-L407 HydrophobicContact CD2-CB 4.24Å; F403-L407 HydrophobicContact CD2-CD1 3.79Å; F403-L407 HydrophobicContact CD2-CG 4.41Å; F403-L407 HydrophobicContact CE2-CB 4.05Å; F403-L407 HydrophobicContact CE2-CD1 3.4Å; F403-L407 HydrophobicContact CE2-CG 4.29Å; F403-L407 HydrophobicContact CZ-CB 4.34Å; F403-L407 HydrophobicContact CZ-CD1 4.27Å; F403-L407 WeakPolarHBondContact O-CA 3.47Å; F403-L407 WeakPolarHBondContact O-CB 3.17Å; F403-L407 PolarHBondContact O-N 2.93Å; L407-L409 VanDerWaalsContact C-N 3.34Å; L407-L409 PolarHBondContact O-N 3.07Å; L407-G410 PolarHBondContact O-N 3.43Å; L407-V411 HydrophobicContact CD2-CG2 3.75Å; L407-V411 WeakPolarHBondContact O-CB 3.32Å; L407-V411 WeakPolarHBondContact O-CG2 3.43Å; L407-V411 PolarHBondContact O-N 3.26Å
408C93.2Very high90.9Very high0 Ų013.8 Ų13.80%08%0.078CC..Iπ-helixtrans-65.1-37.4-176-59.40000112.1L83 N86 I102 F403 D404 P412L83-C408 HydrophobicContact CB-CB 4.36Å; L83-C408 HydrophobicContact CD1-CB 4.2Å; N86-C408 PolarHBondContact ND2-O 2.95Å; I102-C408 HydrophobicContact CD1-CB 3.8Å; F403-C408 WeakPolarHBondContact CE1-SG 3.36Å; F403-C408 PolarHBondContact O-N 3.47Å; D404-C408 HydrophobicContact CB-CB 4.4Å; D404-C408 CarbonylContact O-C 3.51Å; D404-C408 WeakPolarHBondContact O-CA 3.46Å; D404-C408 WeakPolarHBondContact O-CB 3.47Å; D404-C408 PolarHBondContact O-N 3.5Å; D404-C408 VanDerWaalsContact O-N 3.1Å; D404-C408 PolarHBondContact OD1-SG 3.44Å; C408-P412 WeakPolarHBondContact O-CD 3.48Å; C408-P412 VanDerWaalsContact O-CG 3.24Å; C408-P412 WeakPolarHBondContact O-CG 3.22Å
409L92.9Very high91.2Very high0 Ų020.6 Ų20.60%011%0.108CC..Iπ-helixtrans-81.4-49168.3-64.8175.1000112.9N86 V99 I102 L146 D404 I405 L407 V411 P412 W413N86-L409 WeakPolarHBondContact ND2-CA 3.45Å; N86-L409 WeakPolarHBondContact OD1-CD2 3.21Å; V99-L409 HydrophobicContact CB-CD2 4.44Å; V99-L409 HydrophobicContact CG1-CD2 4.47Å; V99-L409 HydrophobicContact CG2-CD2 4.23Å; I102-L409 HydrophobicContact CB-CD1 4.21Å; I102-L409 HydrophobicContact CB-CD2 4.02Å; I102-L409 HydrophobicContact CB-CG 4.09Å; I102-L409 HydrophobicContact CG1-CD2 3.64Å; I102-L409 HydrophobicContact CG1-CG 3.9Å; I102-L409 HydrophobicContact CG2-CD1 3.8Å; I102-L409 HydrophobicContact CG2-CD2 4.4Å; I102-L409 HydrophobicContact CG2-CG 3.9Å; L146-L409 HydrophobicContact CD1-CD1 4Å; L146-L409 HydrophobicContact CD2-CD1 4.26Å; D404-L409 PolarHBondContact O-N 3.28Å; I405-L409 WeakPolarHBondContact O-CB 3.31Å; L407-L409 VanDerWaalsContact C-N 3.34Å; L407-L409 PolarHBondContact O-N 3.07Å; L409-V411 PolarHBondContact O-N 3.39Å; L409-P412 WeakPolarHBondContact O-CD 3.21Å; L409-W413 HydrophobicContact CB-CD2 4.36Å; L409-W413 HydrophobicContact CB-CE3 4.1Å; L409-W413 HydrophobicContact CB-CH2 4.27Å; L409-W413 HydrophobicContact CB-CZ3 4.05Å; L409-W413 HydrophobicContact CD1-CH2 4.13Å; L409-W413 HydrophobicContact CD1-CZ3 4.47Å; L409-W413 HydrophobicContact CD2-CH2 4.44Å; L409-W413 HydrophobicContact CD2-CZ2 4.14Å; L409-W413 WeakPolarHBondContact O-CB 3.18Å; L409-W413 VanDerWaalsContact O-CG 3.3Å; L409-W413 PolarHBondContact O-N 2.91Å
410G93.9Very high91.6Very high0 Ų026.1 Ų26.10%013%0.129CC..Hα-helixtrans-61.2-42.3-171.200000114V164 L406 L407 L414V164-G410 VanDerWaalsContact CG2-C 3.5Å; L406-G410 WeakPolarHBondContact O-CA 3.49Å; L407-G410 PolarHBondContact O-N 3.43Å; G410-L414 WeakPolarHBondContact O-CB 3.33Å; G410-L414 PolarHBondContact O-N 2.97Å
411V93.8Very high91.4Very high49 Ų4928.4 Ų28.430%0.29714%0.143SC..Hα-helixtrans-69-51.8-176.7171.80000112.1V164 L407 L409 W413 L414 I415V164-V411 HydrophobicContact CG2-CG2 3.88Å; L407-V411 HydrophobicContact CD2-CG2 3.75Å; L407-V411 WeakPolarHBondContact O-CB 3.32Å; L407-V411 WeakPolarHBondContact O-CG2 3.43Å; L407-V411 PolarHBondContact O-N 3.26Å; L409-V411 PolarHBondContact O-N 3.39Å; V411-W413 VanDerWaalsContact C-N 3.33Å; V411-W413 PolarHBondContact O-N 3.47Å; V411-L414 PolarHBondContact O-N 3.39Å; V411-I415 HydrophobicContact CG1-CD1 3.63Å; V411-I415 HydrophobicContact CG1-CG1 4.32Å; V411-I415 VanDerWaalsContact O-CG1 3.29Å; V411-I415 WeakPolarHBondContact O-CG1 3.3Å; V411-I415 PolarHBondContact O-N 3.44Å
412P94.4Very high90.5Very high1 Ų132.7 Ų32.71%0.00617%0.165CC..Hα-helixtrans-60.2-41.1177.1-2839.7000113L83 N86 V87 T90 F91 C408 L409 I415 K416L83-P412 HydrophobicContact CD1-CG 4.48Å; N86-P412 WeakPolarHBondContact ND2-CG 3.18Å; V87-P412 HydrophobicContact CG2-CB 4.31Å; V87-P412 HydrophobicContact CG2-CG 3.64Å; T90-P412 HydrophobicContact CG2-CB 4.09Å; F91-P412 HydrophobicContact CE2-CB 4.08Å; C408-P412 WeakPolarHBondContact O-CD 3.48Å; C408-P412 VanDerWaalsContact O-CG 3.24Å; C408-P412 WeakPolarHBondContact O-CG 3.22Å; L409-P412 WeakPolarHBondContact O-CD 3.21Å; P412-I415 PolarHBondContact O-N 3.3Å; P412-K416 WeakPolarHBondContact O-CB 3.34Å; P412-K416 PolarHBondContact O-N 2.93Å
413W93.4Very high89.8Confident4 Ų437.6 Ų37.62%0.01519%0.188CC..Hα-helixtrans-62.5-44.7175.5-72.5-14.7000112.4V99 L146 V149 V155 A160 L163 L409 V411 I415 K416 A417V99-W413 HydrophobicContact CG1-CZ2 4.32Å; V99-W413 HydrophobicContact CG2-CZ2 3.59Å; L146-W413 HydrophobicContact CD1-CH2 3.96Å; L146-W413 HydrophobicContact CD1-CZ3 3.99Å; V149-W413 HydrophobicContact CG1-CZ3 4.49Å; V155-W413 HydrophobicContact CB-CE3 4.46Å; V155-W413 HydrophobicContact CG1-CB 4.33Å; V155-W413 HydrophobicContact CG1-CD2 4.07Å; V155-W413 HydrophobicContact CG1-CE3 3.73Å; V155-W413 HydrophobicContact CG1-CG 4.39Å; V155-W413 HydrophobicContact CG1-CZ3 4.28Å; V155-W413 HydrophobicContact CG2-CD2 4.25Å; V155-W413 HydrophobicContact CG2-CE3 4.13Å; V155-W413 HydrophobicContact CG2-CH2 4.12Å; V155-W413 HydrophobicContact CG2-CZ2 4.24Å; V155-W413 HydrophobicContact CG2-CZ3 4.08Å; A160-W413 HydrophobicContact CB-CB 3.92Å; L163-W413 HydrophobicContact CD1-CE3 3.83Å; L163-W413 HydrophobicContact CD1-CZ3 3.76Å; L409-W413 HydrophobicContact CB-CD2 4.36Å; L409-W413 HydrophobicContact CB-CE3 4.1Å; L409-W413 HydrophobicContact CB-CH2 4.27Å; L409-W413 HydrophobicContact CB-CZ3 4.05Å; L409-W413 HydrophobicContact CD1-CH2 4.13Å; L409-W413 HydrophobicContact CD1-CZ3 4.47Å; L409-W413 HydrophobicContact CD2-CH2 4.44Å; L409-W413 HydrophobicContact CD2-CZ2 4.14Å; L409-W413 WeakPolarHBondContact O-CB 3.18Å; L409-W413 VanDerWaalsContact O-CG 3.3Å; L409-W413 PolarHBondContact O-N 2.91Å; V411-W413 VanDerWaalsContact C-N 3.33Å; V411-W413 PolarHBondContact O-N 3.47Å; W413-I415 PolarHBondContact O-N 3.24Å; W413-K416 PolarHBondContact O-N 3Å; W413-A417 WeakPolarHBondContact O-CB 3.49Å; W413-A417 PolarHBondContact O-N 3.35Å
414L94.6Very high88.9Confident34 Ų3443.6 Ų43.618%0.17823%0.228CC..Hα-helixtrans-62.2-45.8177.9-179.762.7000111.1W157 A160 L161 V164 G410 V411 V418W157-L414 WeakPolarHBondContact O-CD1 3.49Å; A160-L414 HydrophobicContact CB-CB 3.84Å; A160-L414 HydrophobicContact CB-CD1 4.34Å; L161-L414 HydrophobicContact CB-CD1 3.96Å; L161-L414 HydrophobicContact CD1-CD2 4.1Å; V164-L414 HydrophobicContact CG2-CD2 4.25Å; G410-L414 WeakPolarHBondContact O-CB 3.33Å; G410-L414 PolarHBondContact O-N 2.97Å; V411-L414 PolarHBondContact O-N 3.39Å; L414-V418 HydrophobicContact CD1-CG2 3.81Å; L414-V418 HydrophobicContact CG-CG2 4.48Å; L414-V418 VanDerWaalsContact O-CB 3.32Å; L414-V418 WeakPolarHBondContact O-CB 3.38Å; L414-V418 VanDerWaalsContact O-CG2 3.26Å; L414-V418 WeakPolarHBondContact O-CG2 3.31Å; L414-V418 PolarHBondContact O-N 3.19Å
415I93.3Very high88Confident66 Ų6647.2 Ų47.234%0.33827%0.266SS..Hα-helixtrans-64-45.2179.7-64.8168.9000110.2F91 V411 P412 W413 F419 F420F91-I415 HydrophobicContact CE1-CG2 4.16Å; F91-I415 HydrophobicContact CZ-CB 3.84Å; F91-I415 HydrophobicContact CZ-CG2 3.55Å; V411-I415 HydrophobicContact CG1-CD1 3.63Å; V411-I415 HydrophobicContact CG1-CG1 4.32Å; V411-I415 VanDerWaalsContact O-CG1 3.29Å; V411-I415 WeakPolarHBondContact O-CG1 3.3Å; V411-I415 PolarHBondContact O-N 3.44Å; P412-I415 PolarHBondContact O-N 3.3Å; W413-I415 PolarHBondContact O-N 3.24Å; I415-F419 HydrophobicContact CB-CD2 4.47Å; I415-F419 HydrophobicContact CG2-CD2 3.99Å; I415-F419 WeakPolarHBondContact O-CB 3.42Å; I415-F419 WeakPolarHBondContact O-CD2 3.41Å; I415-F419 PolarHBondContact O-N 2.91Å; I415-F420 HydrophobicContact CG2-CE2 4.47Å
416K90.8Very high87.2Confident14 Ų1450.5 Ų50.56%0.06128%0.281CS..Hα-helixtrans-64.3-48.4178.9-174.5170.8-177.2171.10111.5T90 F91 E94 P412 W413 V418 F420 V429T90-K416 HydrophobicContact CG2-CB 3.86Å; T90-K416 HydrophobicContact CG2-CD 3.53Å; T90-K416 HydrophobicContact CG2-CG 4.31Å; T90-K416 VanDerWaalsContact O-CD 3.27Å; T90-K416 WeakPolarHBondContact O-CD 3.34Å; T90-K416 WeakPolarHBondContact O-CE 3.48Å; T90-K416 PolarHBondContact O-NZ 2.85Å; F91-K416 HydrophobicContact CE1-CB 3.91Å; F91-K416 HydrophobicContact CE1-CG 4.43Å; F91-K416 HydrophobicContact CZ-CB 3.95Å; E94-K416 VanDerWaalsContact CD-NZ 3.34Å; E94-K416 WeakPolarHBondContact OE1-CE 3.21Å; E94-K416 IonicContact OE1-NZ 2.66Å; E94-K416 PolarHBondContact OE1-NZ 2.82Å; P412-K416 WeakPolarHBondContact O-CB 3.34Å; P412-K416 PolarHBondContact O-N 2.93Å; W413-K416 PolarHBondContact O-N 3Å; K416-V418 VanDerWaalsContact C-N 3.34Å; K416-V418 PolarHBondContact O-N 3.47Å; K416-F420 CarbonylContact O-C 3.6Å; K416-F420 WeakPolarHBondContact O-CA 3.47Å; K416-F420 PolarHBondContact O-N 3.46Å; K416-V429 HydrophobicContact CB-CG2 3.92Å; K416-V429 HydrophobicContact CD-CG1 4.24Å; K416-V429 HydrophobicContact CD-CG2 4.01Å; K416-V429 HydrophobicContact CG-CG2 3.89Å
417A90.3Very high86.8Confident0 Ų053.1 Ų53.10%030%0.295CS..Hα-helixtrans-62.6-37.4-178.600000113.1W157 W413 N427 V429W157-A417 HydrophobicContact CB-CB 3.78Å; W413-A417 WeakPolarHBondContact O-CB 3.49Å; W413-A417 PolarHBondContact O-N 3.35Å; A417-N427 WeakPolarHBondContact O-CA 3.42Å; A417-N427 VanDerWaalsContact O-CB 3.32Å; A417-N427 WeakPolarHBondContact O-CB 3.31Å; A417-V429 HydrophobicContact CB-CG2 4.16Å
418V90.4Very high86.5Confident62 Ų6253 Ų5338%0.37629%0.293SS..Hα-helixtrans-85.5-44.8-176.7174.40000112.6W157 L414 K416W157-V418 HydrophobicContact CB-CG2 3.93Å; L414-V418 HydrophobicContact CD1-CG2 3.81Å; L414-V418 HydrophobicContact CG-CG2 4.48Å; L414-V418 VanDerWaalsContact O-CB 3.32Å; L414-V418 WeakPolarHBondContact O-CB 3.38Å; L414-V418 VanDerWaalsContact O-CG2 3.26Å; L414-V418 WeakPolarHBondContact O-CG2 3.31Å; L414-V418 PolarHBondContact O-N 3.19Å; K416-V418 VanDerWaalsContact C-N 3.34Å; K416-V418 PolarHBondContact O-N 3.47Å
419F89Confident86.2Confident143 Ų14353.5 Ų53.563%0.62730%0.295SS*.Hα-helixtrans-99.5-23.4-170.4-64.7-76.3000114I415 P421I415-F419 HydrophobicContact CB-CD2 4.47Å; I415-F419 HydrophobicContact CG2-CD2 3.99Å; I415-F419 WeakPolarHBondContact O-CB 3.42Å; I415-F419 WeakPolarHBondContact O-CD2 3.41Å; I415-F419 PolarHBondContact O-N 2.91Å; F419-P421 VanDerWaalsContact C-CD 3.4Å
420F86.6Confident85.8Confident129 Ų12955.6 Ų55.657%0.56631%0.313SS*.SBendtrans-130.156.9-175.8-58.2-84.7000112F91 I415 K416F91-F420 AromaticContact CE1-CD2 3.77Å; F91-F420 HydrophobicContact CE1-CD2 3.77Å; F91-F420 HydrophobicContact CE1-CE2 4.07Å; I415-F420 HydrophobicContact CG2-CE2 4.47Å; K416-F420 CarbonylContact O-C 3.6Å; K416-F420 WeakPolarHBondContact O-CA 3.47Å; K416-F420 PolarHBondContact O-N 3.46Å
421P80.1Confident85.3Confident48 Ų4856.3 Ų56.331%0.31232%0.317SS..  trans-66.1137.7179.528.4-34.7000111.4F419 Q423 Q426F419-P421 VanDerWaalsContact C-CD 3.4Å; P421-Q423 PolarHBondContact O-N 3.35Å; P421-Q426 VanDerWaalsContact CB-O 3.27Å; P421-Q426 WeakPolarHBondContact CB-O 3.46Å
422I72.1Confident84.7Confident89 Ų8956.7 Ų56.746%0.45632%0.317SS..SBendtrans-62.2-34.6-179-57.4168.3000110.9
423Q74.9Confident84.1Confident103 Ų10356.7 Ų56.748%0.48132%0.317SS..BIsolated β-bridgetrans-135.7144175.3-61.8-178.217.200110.8P421 G425 Q426P421-Q423 PolarHBondContact O-N 3.35Å; Q423-G425 PolarHBondContact O-N 3.32Å; Q423-Q426 HydrophobicContact CB-CB 4.27Å; Q423-Q426 PolarHBondContact O-N 3.38Å
424P72.1Confident83.5Confident138 Ų13857.5 Ų57.590%0.89632%0.324SS*.THydrogen-bonded Turntrans-56.8114.1175.6-21.531.7000111
425G72.3Confident82.9Confident76 Ų7655.9 Ų55.978%0.78432%0.316SS*.THydrogen-bonded Turntrans96.80.7-178.600000115.6Q423Q423-G425 PolarHBondContact O-N 3.32Å
426Q76.8Confident82.4Confident71 Ų7152.7 Ų52.733%0.33230%0.3SS..BIsolated β-bridgetrans-11899.7172.9-72-170.1-15.500110.3P421 Q423 Y428P421-Q426 VanDerWaalsContact CB-O 3.27Å; P421-Q426 WeakPolarHBondContact CB-O 3.46Å; Q423-Q426 HydrophobicContact CB-CB 4.27Å; Q423-Q426 PolarHBondContact O-N 3.38Å; Q426-Y428 HydrophobicContact CB-CD1 3.93Å; Q426-Y428 HydrophobicContact CB-CE1 3.66Å; Q426-Y428 HydrophobicContact CG-CE1 4.06Å; Q426-Y428 PolarHBondContact O-N 2.79Å; Q426-Y428 PolarHBondContact OE1-OH 2.84Å
427N85.8Confident82.3Confident56 Ų5653.6 Ų53.630%0.29930%0.304SS..  trans-100.260.2-174.9-63.9-11.6000110.7W157 A417W157-N427 HydrophobicContact CB-CB 4.24Å; W157-N427 HydrophobicContact CG-CB 4.15Å; W157-N427 PolarHBondContact N-O 3.07Å; A417-N427 WeakPolarHBondContact O-CA 3.42Å; A417-N427 VanDerWaalsContact O-CB 3.32Å; A417-N427 WeakPolarHBondContact O-CB 3.31Å
428Y86.6Confident82.3Confident30 Ų3058.1 Ų58.112%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-130.1158176.870.4-94.4000112.2R154 V155 Q426 A430R154-Y428 HydrophobicContact CB-CD2 4.18Å; R154-Y428 HydrophobicContact CG-CD2 4.06Å; R154-Y428 HydrophobicContact CG-CE2 4.25Å; V155-Y428 CarbonylContact O-C 3.14Å; V155-Y428 VanDerWaalsContact O-CA 3.23Å; V155-Y428 WeakPolarHBondContact O-CA 3.45Å; V155-Y428 WeakPolarHBondContact O-CB 3.49Å; Q426-Y428 HydrophobicContact CB-CD1 3.93Å; Q426-Y428 HydrophobicContact CB-CE1 3.66Å; Q426-Y428 HydrophobicContact CG-CE1 4.06Å; Q426-Y428 PolarHBondContact O-N 2.79Å; Q426-Y428 PolarHBondContact OE1-OH 2.84Å; Y428-A430 HydrophobicContact CE2-CB 4.32Å
429V86.3Confident82.2Confident10 Ų1055.1 Ų55.16%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-108.3127169.8-178.30000108.4V155 K416 A417V155-V429 HydrophobicContact CB-CB 4.47Å; V155-V429 PolarHBondContact N-O 3.18Å; V155-V429 PolarHBondContact O-N 3.37Å; K416-V429 HydrophobicContact CB-CG2 3.92Å; K416-V429 HydrophobicContact CD-CG1 4.24Å; K416-V429 HydrophobicContact CD-CG2 4.01Å; K416-V429 HydrophobicContact CG-CG2 3.89Å; A417-V429 HydrophobicContact CB-CG2 4.16Å
430A83.7Confident82.2Confident45 Ų4548.3 Ų48.337%0.37227%0.274SS..EExtended strand (participates in β ladder)trans-82.5139.117800000111Y428Y428-A430 HydrophobicContact CE2-CB 4.32Å
431I84.4Confident82.4Confident14 Ų1445.7 Ų45.77%0.07227%0.265CS..  trans-97.7132.8169.3-63.6167.7000107.7M150 E153 V155 L436M150-I431 HydrophobicContact CB-CD1 4.13Å; M150-I431 HydrophobicContact CE-CD1 4.1Å; M150-I431 HydrophobicContact CG-CD1 3.85Å; E153-I431 PolarHBondContact O-N 3.4Å; V155-I431 HydrophobicContact CG2-CD1 3.79Å; V155-I431 HydrophobicContact CG2-CG1 4.25Å; I431-L436 HydrophobicContact CG2-CD1 3.79Å
432N81.1Confident82.9Confident57 Ų5744.5 Ų44.531%0.30526%0.257SS..SBendtrans-89.1-20.4-172.4-58.2-77.7000113.7E94 D96E94-N432 PolarHBondContact O-ND2 2.91Å; D96-N432 PolarHBondContact OD1-N 3.34Å; D96-N432 VanDerWaalsContact OD2-C 3.25Å; D96-N432 WeakPolarHBondContact OD2-CA 3.04Å; D96-N432 VanDerWaalsContact OD2-CB 3.31Å; D96-N432 WeakPolarHBondContact OD2-CB 3.24Å; D96-N432 PolarHBondContact OD2-N 3.11Å
433S81.1Confident83.7Confident1 Ų140.3 Ų40.31%0.00724%0.235CC..  trans-121.8117.2-175.8-179.50000111.2D96 G435 L436 E484 N492D96-S433 WeakPolarHBondContact OD2-CA 3.49Å; D96-S433 WeakPolarHBondContact OD2-CB 3.33Å; D96-S433 PolarHBondContact OD2-N 3.34Å; S433-G435 PolarHBondContact O-N 3.46Å; S433-G435 WeakPolarHBondContact OG-CA 3.46Å; S433-G435 PolarHBondContact OG-N 2.89Å; S433-L436 PolarHBondContact O-N 2.9Å; S433-E484 PolarHBondContact OG-OE1 3.1Å; S433-E484 PolarHBondContact OG-OE2 2.97Å; S433-N492 WeakPolarHBondContact CB-OD1 3.32Å; S433-N492 PolarHBondContact OG-OD1 2.95Å; S433-N492 VanDerWaalsContact OG-OD1 3.1Å
434A80.7Confident84.6Confident21 Ų2138.5 Ų38.517%0.17423%0.229CC..THydrogen-bonded Turntrans-62.3-18.7166.400000112.1E153 L436 E437 Y438 V491E153-A434 WeakPolarHBondContact OE1-CB 3.49Å; A434-L436 PolarHBondContact O-N 3.32Å; A434-E437 PolarHBondContact O-N 3.31Å; A434-Y438 WeakPolarHBondContact O-CD2 3.4Å; A434-V491 HydrophobicContact CB-CB 4.4Å; A434-V491 PolarHBondContact N-O 2.96Å
435G82.6Confident85.5Confident0 Ų035 Ų350%021%0.207CC..Hα-helixtrans-63.6-26.3-179.300000113S433 Y438 S439 E484S433-G435 PolarHBondContact O-N 3.46Å; S433-G435 WeakPolarHBondContact OG-CA 3.46Å; S433-G435 PolarHBondContact OG-N 2.89Å; G435-Y438 PolarHBondContact O-N 2.89Å; G435-S439 PolarHBondContact O-N 2.87Å; G435-S439 PolarHBondContact O-OG 2.86Å; G435-E484 WeakPolarHBondContact CA-OE1 3.45Å
436L83.3Confident86.5Confident0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-70.5-31.8179-60.9174.7000112.6D96 V99 M150 I366 I431 S433 A434 S439 A440 E484D96-L436 HydrophobicContact CB-CD1 3.82Å; V99-L436 HydrophobicContact CB-CD1 3.93Å; V99-L436 HydrophobicContact CG1-CD1 3.88Å; M150-L436 HydrophobicContact CE-CB 3.43Å; M150-L436 VanDerWaalsContact CE-CB 3.43Å; M150-L436 HydrophobicContact CE-CD1 4.2Å; I366-L436 HydrophobicContact CD1-CD2 4.17Å; I431-L436 HydrophobicContact CG2-CD1 3.79Å; S433-L436 PolarHBondContact O-N 2.9Å; A434-L436 PolarHBondContact O-N 3.32Å; L436-S439 CarbonylContact O-C 3.58Å; L436-S439 WeakPolarHBondContact O-CB 3.43Å; L436-S439 PolarHBondContact O-N 3.04Å; L436-A440 PolarHBondContact O-N 3.12Å; L436-E484 PolarHBondContact N-OE1 3.11Å
437E88.6Confident87.2Confident33 Ų3329 Ų2915%0.15416%0.16CC..Hα-helixtrans-62-47.4173.3-171.4-164.7162.100110H151 A434 S439 A440 I441H151-E437 IonicContact CD2-OE1 3.24Å; H151-E437 PolarHBondContact CD2-OE1 3.3Å; A434-E437 PolarHBondContact O-N 3.31Å; E437-S439 VanDerWaalsContact C-N 3.27Å; E437-S439 PolarHBondContact O-N 3.28Å; E437-A440 WeakPolarHBondContact O-CB 3.42Å; E437-A440 PolarHBondContact O-N 3.02Å; E437-A440 VanDerWaalsContact O-N 3.1Å; E437-I441 HydrophobicContact CG-CD1 4.34Å; E437-I441 WeakPolarHBondContact O-CG1 3.41Å; E437-I441 PolarHBondContact O-N 3.47Å
438Y89.2Confident87.5Confident94 Ų9432.6 Ų32.637%0.36917%0.174SC..Hα-helixtrans-63-34.9175.1-61.1-78.8000112.2A434 G435 A440 I441 T442 F489 V491A434-Y438 WeakPolarHBondContact O-CD2 3.4Å; G435-Y438 PolarHBondContact O-N 2.89Å; Y438-A440 VanDerWaalsContact C-N 3.35Å; Y438-I441 PolarHBondContact O-N 2.92Å; Y438-T442 WeakPolarHBondContact O-CG2 3.45Å; Y438-T442 PolarHBondContact O-N 3.34Å; Y438-T442 PolarHBondContact O-OG1 3.31Å; Y438-F489 HydrophobicContact CD1-CZ 4.12Å; Y438-F489 AromaticContact CD2-CE2 3.8Å; Y438-F489 HydrophobicContact CD2-CE2 3.8Å; Y438-F489 AromaticContact CD2-CZ 3.94Å; Y438-F489 HydrophobicContact CD2-CZ 3.94Å; Y438-F489 HydrophobicContact CE1-CE2 4.3Å; Y438-F489 AromaticContact CE1-CZ 3.95Å; Y438-F489 HydrophobicContact CE1-CZ 3.95Å; Y438-F489 AromaticContact CE2-CE2 3.41Å; Y438-F489 HydrophobicContact CE2-CE2 3.41Å; Y438-F489 VanDerWaalsContact CE2-CE2 3.41Å; Y438-F489 AromaticContact CE2-CZ 3.82Å; Y438-F489 HydrophobicContact CE2-CZ 3.82Å; Y438-F489 HydrophobicContact CG-CE2 4.43Å; Y438-F489 HydrophobicContact CG-CZ 4.11Å; Y438-F489 AromaticContact CZ-CE2 3.67Å; Y438-F489 AromaticContact CZ-CZ 3.81Å; Y438-V491 HydrophobicContact CD2-CG1 4.44Å; Y438-V491 HydrophobicContact CE2-CG1 4.39Å
439S88.4Confident87.8Confident0 Ų034.6 Ų34.60%019%0.186CC..Hα-helixtrans-65.6-36.7173.6-600000111.9G435 L436 E437 T442 L443G435-S439 PolarHBondContact O-N 2.87Å; G435-S439 PolarHBondContact O-OG 2.86Å; L436-S439 CarbonylContact O-C 3.58Å; L436-S439 WeakPolarHBondContact O-CB 3.43Å; L436-S439 PolarHBondContact O-N 3.04Å; E437-S439 VanDerWaalsContact C-N 3.27Å; E437-S439 PolarHBondContact O-N 3.28Å; S439-T442 VanDerWaalsContact CA-OG1 3.27Å; S439-T442 WeakPolarHBondContact CA-OG1 3.5Å; S439-T442 PolarHBondContact O-OG1 2.89Å; S439-L443 WeakPolarHBondContact O-CB 3.2Å; S439-L443 PolarHBondContact O-N 2.93Å
440A89.1Confident88Confident0 Ų034.1 Ų34.10%018%0.183CC..Hα-helixtrans-71.1-37.5173.500000112.8I147 L436 E437 Y438 T442 L443 L444I147-A440 HydrophobicContact CG1-CB 3.7Å; L436-A440 PolarHBondContact O-N 3.12Å; E437-A440 WeakPolarHBondContact O-CB 3.42Å; E437-A440 PolarHBondContact O-N 3.02Å; E437-A440 VanDerWaalsContact O-N 3.1Å; Y438-A440 VanDerWaalsContact C-N 3.35Å; A440-T442 VanDerWaalsContact C-N 3.35Å; A440-L443 VanDerWaalsContact O-CB 3.31Å; A440-L443 WeakPolarHBondContact O-CB 3.31Å; A440-L443 PolarHBondContact O-N 3.39Å; A440-L444 PolarHBondContact O-N 2.94Å; A440-L444 VanDerWaalsContact O-N 3.15Å
441I91.5Very high88.4Confident74 Ų7434.7 Ų34.738%0.37918%0.176SC..Hα-helixtrans-63.3-43.2173.9-68163.8000110.9I147 E437 Y438 L443 L444 S445I147-I441 HydrophobicContact CD1-CG1 4.01Å; I147-I441 HydrophobicContact CG1-CG1 4.26Å; I147-I441 HydrophobicContact CG2-CG1 4.05Å; E437-I441 HydrophobicContact CG-CD1 4.34Å; E437-I441 WeakPolarHBondContact O-CG1 3.41Å; E437-I441 PolarHBondContact O-N 3.47Å; Y438-I441 PolarHBondContact O-N 2.92Å; I441-L443 VanDerWaalsContact C-N 3.33Å; I441-L444 PolarHBondContact O-N 3.18Å; I441-S445 PolarHBondContact O-N 3.44Å; I441-S445 VanDerWaalsContact O-N 3.12Å
442T89.4Confident88.8Confident23 Ų2337.8 Ų37.814%0.14119%0.192CC..Hα-helixtrans-68-33.7177.2480000111.9Y438 S439 A440 L444 S445 T446 F476 F479Y438-T442 WeakPolarHBondContact O-CG2 3.45Å; Y438-T442 PolarHBondContact O-N 3.34Å; Y438-T442 PolarHBondContact O-OG1 3.31Å; S439-T442 VanDerWaalsContact CA-OG1 3.27Å; S439-T442 WeakPolarHBondContact CA-OG1 3.5Å; S439-T442 PolarHBondContact O-OG1 2.89Å; A440-T442 VanDerWaalsContact C-N 3.35Å; T442-L444 PolarHBondContact O-N 2.83Å; T442-S445 WeakPolarHBondContact O-CB 3.2Å; T442-S445 PolarHBondContact O-N 3.33Å; T442-S445 VanDerWaalsContact O-N 3.17Å; T442-T446 WeakPolarHBondContact O-CG2 3.42Å; T442-T446 PolarHBondContact O-N 2.69Å; T442-F476 VanDerWaalsContact OG1-CE2 3.25Å; T442-F476 WeakPolarHBondContact OG1-CE2 3.49Å; T442-F479 HydrophobicContact CG2-CD1 3.8Å; T442-F479 HydrophobicContact CG2-CE1 3.55Å
443L90.8Very high89.3Confident0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-56.5-48.4170.3-178.966.6000111.7V103 A106 V107 I110 Y139 V143 I405 S439 A440 I441 S445 T446 L447V103-L443 HydrophobicContact CG1-CD2 4.48Å; A106-L443 HydrophobicContact CB-CD1 3.91Å; A106-L443 HydrophobicContact CB-CD2 4.28Å; V107-L443 HydrophobicContact CB-CD1 4.43Å; V107-L443 HydrophobicContact CG2-CD1 3.33Å; I110-L443 HydrophobicContact CD1-CD1 4.34Å; Y139-L443 VanDerWaalsContact OH-CD1 3.31Å; Y139-L443 WeakPolarHBondContact OH-CD1 3.39Å; Y139-L443 WeakPolarHBondContact OH-CD2 3.36Å; Y139-L443 WeakPolarHBondContact OH-CG 3.32Å; V143-L443 HydrophobicContact CG1-CD2 4.15Å; V143-L443 HydrophobicContact CG1-CG 4.36Å; V143-L443 HydrophobicContact CG2-CD2 3.96Å; V143-L443 HydrophobicContact CG2-CG 4.32Å; I405-L443 HydrophobicContact CD1-CD2 4.49Å; S439-L443 WeakPolarHBondContact O-CB 3.2Å; S439-L443 PolarHBondContact O-N 2.93Å; A440-L443 VanDerWaalsContact O-CB 3.31Å; A440-L443 WeakPolarHBondContact O-CB 3.31Å; A440-L443 PolarHBondContact O-N 3.39Å; I441-L443 VanDerWaalsContact C-N 3.33Å; L443-S445 VanDerWaalsContact C-N 3.3Å; L443-S445 PolarHBondContact O-N 3.15Å; L443-T446 PolarHBondContact O-N 3.27Å; L443-T446 VanDerWaalsContact O-N 3.16Å; L443-T446 PolarHBondContact O-OG1 3Å; L443-L447 PolarHBondContact O-N 3.41Å
444L92.2Very high89.8Confident65 Ų6536.3 Ų36.334%0.3419%0.185SC..Hα-helixtrans-59.5-40.6175.3-172.865.8000112.1V143 I147 A440 I441 T442 L447 F448V143-L444 HydrophobicContact CB-CD1 4.42Å; V143-L444 HydrophobicContact CG1-CB 3.94Å; V143-L444 HydrophobicContact CG1-CD1 4.39Å; I147-L444 HydrophobicContact CD1-CB 4.38Å; I147-L444 HydrophobicContact CD1-CD2 4.32Å; A440-L444 PolarHBondContact O-N 2.94Å; A440-L444 VanDerWaalsContact O-N 3.15Å; I441-L444 PolarHBondContact O-N 3.18Å; T442-L444 PolarHBondContact O-N 2.83Å; L444-L447 PolarHBondContact O-N 2.7Å; L444-F448 PolarHBondContact O-N 3.47Å; L444-F448 VanDerWaalsContact O-N 3.16Å
445S91.9Very high90.2Very high64 Ų6437.8 Ų37.845%0.44819%0.194SC..Hα-helixtrans-62.8-43.7175.2-172.20000112.1I441 T442 L443 L447 F448 L449I441-S445 PolarHBondContact O-N 3.44Å; I441-S445 VanDerWaalsContact O-N 3.12Å; T442-S445 WeakPolarHBondContact O-CB 3.2Å; T442-S445 PolarHBondContact O-N 3.33Å; T442-S445 VanDerWaalsContact O-N 3.17Å; L443-S445 VanDerWaalsContact C-N 3.3Å; L443-S445 PolarHBondContact O-N 3.15Å; S445-L447 PolarHBondContact O-N 2.94Å; S445-F448 PolarHBondContact O-N 3.19Å; S445-L449 WeakPolarHBondContact O-CG 3.31Å; S445-L449 PolarHBondContact O-N 3.07Å
446T92.1Very high90.6Very high13 Ų1342.7 Ų42.78%0.0822%0.224CC..Hα-helixtrans-65.4-37.5178.660.90000112.8L111 T442 L443 L449 L450 F476L111-T446 HydrophobicContact CD1-CG2 4.1Å; T442-T446 WeakPolarHBondContact O-CG2 3.42Å; T442-T446 PolarHBondContact O-N 2.69Å; L443-T446 PolarHBondContact O-N 3.27Å; L443-T446 VanDerWaalsContact O-N 3.16Å; L443-T446 PolarHBondContact O-OG1 3Å; T446-L449 PolarHBondContact O-N 3.28Å; T446-L450 WeakPolarHBondContact O-CB 3.43Å; T446-L450 PolarHBondContact O-N 3.35Å; T446-F476 HydrophobicContact CG2-CB 4.27Å; T446-F476 HydrophobicContact CG2-CD2 3.66Å; T446-F476 HydrophobicContact CG2-CE2 4.45Å; T446-F476 HydrophobicContact CG2-CG 4.25Å
447L92.3Very high91Very high9 Ų945.1 Ų45.15%0.04724%0.237CC..Hα-helixtrans-59.9-46.9173.4177.966.9000111.4I110 Y139 L443 L444 S445 L449 L450 Y451I110-L447 HydrophobicContact CD1-CD1 4.37Å; Y139-L447 HydrophobicContact CD1-CD1 3.64Å; Y139-L447 HydrophobicContact CD1-CD2 3.46Å; Y139-L447 VanDerWaalsContact CD1-CD2 3.46Å; Y139-L447 HydrophobicContact CD1-CG 4.05Å; Y139-L447 HydrophobicContact CE1-CB 4.46Å; Y139-L447 HydrophobicContact CE1-CD1 4.13Å; Y139-L447 HydrophobicContact CE1-CD2 3.98Å; Y139-L447 HydrophobicContact CE1-CG 4.41Å; Y139-L447 HydrophobicContact CG-CD2 4.47Å; L443-L447 PolarHBondContact O-N 3.41Å; L444-L447 PolarHBondContact O-N 2.7Å; S445-L447 PolarHBondContact O-N 2.94Å; L447-L449 PolarHBondContact O-N 3.14Å; L447-L450 PolarHBondContact O-N 3.13Å; L447-Y451 PolarHBondContact O-N 2.9Å
448F92.3Very high91.1Very high132 Ų13252 Ų5258%0.57927%0.267SS*.Hα-helixtrans-61.2-44.7176.9176.7-99.1000111.7L444 S445 Y451 L452L444-F448 PolarHBondContact O-N 3.47Å; L444-F448 VanDerWaalsContact O-N 3.16Å; S445-F448 PolarHBondContact O-N 3.19Å; F448-Y451 PolarHBondContact O-N 3.39Å; F448-L452 WeakPolarHBondContact O-CB 3.49Å; F448-L452 PolarHBondContact O-N 3.14Å
449L92.3Very high91.1Very high71 Ų7148.9 Ų48.937%0.37226%0.255SS..Hα-helixtrans-64.8-38.7177.6-69.9175000112.6S445 T446 L447 L452 T453 M472S445-L449 WeakPolarHBondContact O-CG 3.31Å; S445-L449 PolarHBondContact O-N 3.07Å; T446-L449 PolarHBondContact O-N 3.28Å; L447-L449 PolarHBondContact O-N 3.14Å; L449-L452 PolarHBondContact O-N 3Å; L449-T453 WeakPolarHBondContact O-CB 3.3Å; L449-T453 PolarHBondContact O-N 3.49Å; L449-T453 PolarHBondContact O-OG1 3.47Å; L449-M472 HydrophobicContact CB-SD 3.99Å
450L90.9Very high91.1Very high1 Ų154.6 Ų54.61%0.00528%0.28CS..Hα-helixtrans-61-51.7173.7-17784.5000110.4I110 L111 A114 T446 L447 L452 T453 F454I110-L450 HydrophobicContact CG2-CB 4.17Å; I110-L450 HydrophobicContact CG2-CD1 4.48Å; I110-L450 HydrophobicContact CG2-CD2 3.67Å; I110-L450 HydrophobicContact CG2-CG 4.3Å; L111-L450 HydrophobicContact CD2-CB 4.37Å; L111-L450 HydrophobicContact CD2-CD1 3.91Å; A114-L450 HydrophobicContact CB-CD1 4.3Å; T446-L450 WeakPolarHBondContact O-CB 3.43Å; T446-L450 PolarHBondContact O-N 3.35Å; L447-L450 PolarHBondContact O-N 3.13Å; L450-L452 VanDerWaalsContact C-N 3.28Å; L450-L452 PolarHBondContact O-N 2.81Å; L450-T453 WeakPolarHBondContact O-CA 3.49Å; L450-T453 WeakPolarHBondContact O-CB 3.48Å; L450-T453 PolarHBondContact O-N 3.37Å; L450-F454 HydrophobicContact CD1-CE1 4.2Å; L450-F454 HydrophobicContact CD1-CE2 3.82Å; L450-F454 HydrophobicContact CD1-CZ 3.63Å; L450-F454 HydrophobicContact CD2-CD2 4.14Å; L450-F454 HydrophobicContact CD2-CE2 3.45Å; L450-F454 VanDerWaalsContact CD2-CE2 3.45Å; L450-F454 HydrophobicContact CD2-CZ 4.07Å; L450-F454 HydrophobicContact CG-CD2 3.92Å; L450-F454 HydrophobicContact CG-CE2 3.49Å; L450-F454 VanDerWaalsContact CG-CE2 3.49Å; L450-F454 HydrophobicContact CG-CZ 3.87Å; L450-F454 PolarHBondContact O-N 3.13Å
451Y92Very high91.1Very high56 Ų5654.6 Ų54.622%0.2228%0.28CS..Hα-helixtrans-58.5-42.7-179.8-175.7-96.6000111.6W129 T133 L447 F448 T453 F454 S455W129-Y451 VanDerWaalsContact CE2-OH 3.3Å; W129-Y451 WeakPolarHBondContact CZ2-OH 3.44Å; W129-Y451 AromaticContact NE1-CZ 3.7Å; W129-Y451 PolarHBondContact NE1-OH 3.42Å; T133-Y451 HydrophobicContact CG2-CE2 4.16Å; T133-Y451 WeakPolarHBondContact OG1-CE2 3.37Å; T133-Y451 PolarHBondContact OG1-OH 3.34Å; L447-Y451 PolarHBondContact O-N 2.9Å; F448-Y451 PolarHBondContact O-N 3.39Å; Y451-T453 VanDerWaalsContact C-N 3.33Å; Y451-T453 PolarHBondContact O-N 2.85Å; Y451-F454 PolarHBondContact O-N 3.13Å; Y451-S455 VanDerWaalsContact O-CB 3.29Å; Y451-S455 WeakPolarHBondContact O-CB 3.38Å; Y451-S455 PolarHBondContact O-N 3.39Å
452L92.3Very high91.2Very high80 Ų8052.5 Ų52.542%0.41927%0.27SS..Hα-helixtrans-61.3-41.3174.5-176.163.1000111.8F448 L449 L450 S455 T456F448-L452 WeakPolarHBondContact O-CB 3.49Å; F448-L452 PolarHBondContact O-N 3.14Å; L449-L452 PolarHBondContact O-N 3Å; L450-L452 VanDerWaalsContact C-N 3.28Å; L450-L452 PolarHBondContact O-N 2.81Å; L452-S455 PolarHBondContact O-N 3.49Å; L452-T456 HydrophobicContact CD1-CG2 4.1Å; L452-T456 HydrophobicContact CG-CG2 4.37Å; L452-T456 WeakPolarHBondContact O-CB 3.46Å; L452-T456 VanDerWaalsContact O-CG2 3.26Å; L452-T456 WeakPolarHBondContact O-CG2 3.43Å; L452-T456 PolarHBondContact O-N 2.92Å; L452-T456 PolarHBondContact O-OG1 3.47Å
453T92.3Very high91.3Very high27 Ų2757.2 Ų57.217%0.16629%0.288CS..Hα-helixtrans-62.6-42.9176.9-57.20000111.4L449 L450 Y451 T456 N457 V465L449-T453 WeakPolarHBondContact O-CB 3.3Å; L449-T453 PolarHBondContact O-N 3.49Å; L449-T453 PolarHBondContact O-OG1 3.47Å; L450-T453 WeakPolarHBondContact O-CA 3.49Å; L450-T453 WeakPolarHBondContact O-CB 3.48Å; L450-T453 PolarHBondContact O-N 3.37Å; Y451-T453 VanDerWaalsContact C-N 3.33Å; Y451-T453 PolarHBondContact O-N 2.85Å; T453-T456 PolarHBondContact O-OG1 3.16Å; T453-T456 VanDerWaalsContact O-OG1 3.04Å; T453-N457 PolarHBondContact O-N 3.33Å; T453-V465 HydrophobicContact CG2-CB 4.42Å; T453-V465 HydrophobicContact CG2-CG1 3.85Å; T453-V465 HydrophobicContact CG2-CG2 4.12Å
454F90.8Very high91.3Very high0 Ų065.1 Ų65.10%032%0.323CS..Hα-helixtrans-68.7-40.3175.8-66.1-28.6000112.9A114 L127 L132 I394 L450 Y451 N457 K458 F459 L461 V465A114-F454 HydrophobicContact CB-CZ 4.06Å; L127-F454 HydrophobicContact CD1-CD1 4.08Å; L127-F454 HydrophobicContact CD1-CD2 4.43Å; L127-F454 HydrophobicContact CD1-CE1 4.14Å; L127-F454 HydrophobicContact CD1-CE2 4.4Å; L127-F454 HydrophobicContact CD1-CG 4.23Å; L127-F454 HydrophobicContact CD1-CZ 4.27Å; L132-F454 HydrophobicContact CD1-CD2 4.26Å; L132-F454 HydrophobicContact CD1-CE2 4.21Å; L132-F454 HydrophobicContact CD2-CB 4.29Å; L132-F454 HydrophobicContact CD2-CD2 3.71Å; L132-F454 HydrophobicContact CD2-CE2 4.36Å; L132-F454 HydrophobicContact CD2-CG 4.32Å; L132-F454 HydrophobicContact CG-CD2 4.47Å; I394-F454 HydrophobicContact CD1-CZ 4.47Å; I394-F454 HydrophobicContact CG2-CE2 4.49Å; L450-F454 HydrophobicContact CD1-CE1 4.2Å; L450-F454 HydrophobicContact CD1-CE2 3.82Å; L450-F454 HydrophobicContact CD1-CZ 3.63Å; L450-F454 HydrophobicContact CD2-CD2 4.14Å; L450-F454 HydrophobicContact CD2-CE2 3.45Å; L450-F454 VanDerWaalsContact CD2-CE2 3.45Å; L450-F454 HydrophobicContact CD2-CZ 4.07Å; L450-F454 HydrophobicContact CG-CD2 3.92Å; L450-F454 HydrophobicContact CG-CE2 3.49Å; L450-F454 VanDerWaalsContact CG-CE2 3.49Å; L450-F454 HydrophobicContact CG-CZ 3.87Å; L450-F454 PolarHBondContact O-N 3.13Å; Y451-F454 PolarHBondContact O-N 3.13Å; F454-N457 CarbonylContact O-C 3.54Å; F454-N457 PolarHBondContact O-N 3.06Å; F454-K458 PolarHBondContact O-N 3.26Å; F454-F459 HydrophobicContact CB-CD1 4.05Å; F454-F459 HydrophobicContact CB-CE1 3.91Å; F454-F459 PolarHBondContact O-N 3.39Å; F454-L461 HydrophobicContact CE1-CD1 4.2Å; F454-V465 HydrophobicContact CD1-CG1 3.84Å; F454-V465 HydrophobicContact CE1-CG1 3.7Å
455S89.2Confident91.4Very high52 Ų5262.5 Ų62.536%0.36431%0.309SS..Hα-helixtrans-65.4-45.4179.1-1750000112.4Y451 L452 N457 K458Y451-S455 VanDerWaalsContact O-CB 3.29Å; Y451-S455 WeakPolarHBondContact O-CB 3.38Å; Y451-S455 PolarHBondContact O-N 3.39Å; L452-S455 PolarHBondContact O-N 3.49Å; S455-N457 VanDerWaalsContact C-N 3.25Å; S455-N457 PolarHBondContact O-N 3.4Å; S455-K458 PolarHBondContact O-N 3.17Å
456T91.8Very high91.5Very high102 Ų10259.4 Ų59.463%0.62629%0.288SS*.Hα-helixtrans-64-31.117752.40000112.3L452 T453 K458L452-T456 HydrophobicContact CD1-CG2 4.1Å; L452-T456 HydrophobicContact CG-CG2 4.37Å; L452-T456 WeakPolarHBondContact O-CB 3.46Å; L452-T456 VanDerWaalsContact O-CG2 3.26Å; L452-T456 WeakPolarHBondContact O-CG2 3.43Å; L452-T456 PolarHBondContact O-N 2.92Å; L452-T456 PolarHBondContact O-OG1 3.47Å; T453-T456 PolarHBondContact O-OG1 3.16Å; T453-T456 VanDerWaalsContact O-OG1 3.04Å; T456-K458 VanDerWaalsContact C-N 3.28Å; T456-K458 PolarHBondContact O-N 3.23Å
457N91.4Very high91.5Very high52 Ų5262.2 Ų62.228%0.27831%0.305SS..THydrogen-bonded Turntrans-89.117.4174.3-150.434.9000114.4T453 F454 S455 F459 K460 D462 V465T453-N457 PolarHBondContact O-N 3.33Å; F454-N457 CarbonylContact O-C 3.54Å; F454-N457 PolarHBondContact O-N 3.06Å; S455-N457 VanDerWaalsContact C-N 3.25Å; S455-N457 PolarHBondContact O-N 3.4Å; N457-F459 VanDerWaalsContact C-N 3.26Å; N457-F459 PolarHBondContact O-N 3.34Å; N457-K460 PolarHBondContact ND2-O 2.66Å; N457-K460 PolarHBondContact O-N 2.71Å; N457-D462 PolarHBondContact ND2-OD1 3.35Å; N457-V465 HydrophobicContact CB-CG2 3.69Å; N457-V465 WeakPolarHBondContact ND2-CG2 3.07Å
458K90.2Very high91.7Very high176 Ų17663.7 Ų63.777%0.76532%0.318SS*.THydrogen-bonded Turntrans52.641.4179.1-57.3-176.5177.6-177.20113.2F454 S455 T456 K460F454-K458 PolarHBondContact O-N 3.26Å; S455-K458 PolarHBondContact O-N 3.17Å; T456-K458 VanDerWaalsContact C-N 3.28Å; T456-K458 PolarHBondContact O-N 3.23Å; K458-K460 VanDerWaalsContact C-N 3.28Å; K458-K460 PolarHBondContact O-N 2.95Å
459F89.1Confident91.8Very high30 Ų3057.4 Ų57.413%0.13229%0.291CS..THydrogen-bonded Turntrans56.539.8179.5-57.8-71.6000113.5L127 W129 L132 F454 N457L127-F459 HydrophobicContact CB-CB 4.24Å; L127-F459 WeakPolarHBondContact CB-O 3.48Å; L127-F459 PolarHBondContact N-O 3.03Å; L127-F459 WeakPolarHBondContact O-CB 3.34Å; W129-F459 HydrophobicContact CB-CD1 4.36Å; W129-F459 HydrophobicContact CB-CD2 3.88Å; W129-F459 HydrophobicContact CB-CE2 4.2Å; W129-F459 HydrophobicContact CB-CG 4Å; W129-F459 AromaticContact CD1-CD1 3.5Å; W129-F459 AromaticContact CD1-CD2 3.54Å; W129-F459 AromaticContact CD1-CE1 3.05Å; W129-F459 AromaticContact CD1-CE2 3.05Å; W129-F459 AromaticContact CD1-CG 3.76Å; W129-F459 AromaticContact CD1-CZ 2.82Å; W129-F459 HydrophobicContact CD2-CE2 4.24Å; W129-F459 HydrophobicContact CD2-CZ 4.48Å; W129-F459 AromaticContact CE2-CZ 3.99Å; W129-F459 HydrophobicContact CG-CD1 4.27Å; W129-F459 AromaticContact CG-CD2 3.75Å; W129-F459 HydrophobicContact CG-CD2 3.75Å; W129-F459 HydrophobicContact CG-CE1 4.13Å; W129-F459 AromaticContact CG-CE2 3.55Å; W129-F459 HydrophobicContact CG-CE2 3.55Å; W129-F459 HydrophobicContact CG-CG 4.14Å; W129-F459 AromaticContact CG-CZ 3.79Å; W129-F459 HydrophobicContact CG-CZ 3.79Å; W129-F459 AromaticContact NE1-CE1 3.49Å; W129-F459 AromaticContact NE1-CE2 3.28Å; W129-F459 VanDerWaalsContact NE1-CE2 3.28Å; W129-F459 AromaticContact NE1-CZ 2.87Å; L132-F459 HydrophobicContact CD2-CD1 3.8Å; L132-F459 HydrophobicContact CD2-CE1 4.04Å; F454-F459 HydrophobicContact CB-CD1 4.05Å; F454-F459 HydrophobicContact CB-CE1 3.91Å; F454-F459 PolarHBondContact O-N 3.39Å; N457-F459 VanDerWaalsContact C-N 3.26Å; N457-F459 PolarHBondContact O-N 3.34Å
460K89.7Confident91.9Very high119 Ų11957.3 Ų57.352%0.51729%0.29SS..EExtended strand (participates in β ladder)trans-114.2127.7168.2-63.7-174.8179.7-174.90108.9N457 K458N457-K460 PolarHBondContact ND2-O 2.66Å; N457-K460 PolarHBondContact O-N 2.71Å; K458-K460 VanDerWaalsContact C-N 3.28Å; K458-K460 PolarHBondContact O-N 2.95Å
461L89.2Confident92.1Very high0 Ų061.1 Ų61.10%031%0.313CS..EExtended strand (participates in β ladder)trans-92.6105.4170.8177.961.8000108.5C117 I125 L127 I394 F454 V465C117-L461 HydrophobicContact CB-CD2 3.72Å; I125-L461 HydrophobicContact CB-CB 4.24Å; I125-L461 HydrophobicContact CD1-CD2 4.15Å; I125-L461 PolarHBondContact N-O 3Å; I125-L461 PolarHBondContact O-N 3Å; L127-L461 HydrophobicContact CD1-CB 4.09Å; L127-L461 HydrophobicContact CD2-CB 4.48Å; L127-L461 HydrophobicContact CG-CB 4.24Å; I394-L461 HydrophobicContact CD1-CD2 3.55Å; F454-L461 HydrophobicContact CE1-CD1 4.2Å; L461-V465 HydrophobicContact CD1-CB 4.04Å; L461-V465 HydrophobicContact CD1-CG1 3.55Å
462D92.2Very high92.2Very high31 Ų3160.4 Ų60.417%0.16631%0.313CS..  trans-109.5174173.474.5-19.7000110.9T124 N457 K464 V465 G466T124-D462 HydrophobicContact CG2-CB 4.11Å; N457-D462 PolarHBondContact ND2-OD1 3.35Å; D462-K464 PolarHBondContact O-N 3.05Å; D462-K464 PolarHBondContact OD1-N 3.46Å; D462-K464 WeakPolarHBondContact OD2-CB 3.42Å; D462-V465 PolarHBondContact O-N 3.25Å; D462-V465 WeakPolarHBondContact OD1-CB 3.26Å; D462-V465 VanDerWaalsContact OD1-CG2 3.28Å; D462-V465 WeakPolarHBondContact OD1-CG2 3.25Å; D462-V465 PolarHBondContact OD1-N 3.14Å; D462-G466 PolarHBondContact O-N 3.5Å
463K91.6Very high92.3Very high122 Ų12258 Ų5853%0.5330%0.298SS..Hα-helixtrans-59-29177.7-69.7-176.6177.9-178.30112.7G118 T467G118-K463 WeakPolarHBondContact O-CA 3.49Å; G118-K463 WeakPolarHBondContact O-CG 3.39Å; K463-T467 WeakPolarHBondContact O-CB 3.36Å; K463-T467 PolarHBondContact O-N 3.3Å; K463-T467 PolarHBondContact O-OG1 2.97Å
464K92.7Very high92.4Very high166 Ų16661.4 Ų61.472%0.72232%0.315SS*.Hα-helixtrans-71-49.2179.4-61.7-178-179.31790111D462 G466 T467 A468D462-K464 PolarHBondContact O-N 3.05Å; D462-K464 PolarHBondContact OD1-N 3.46Å; D462-K464 WeakPolarHBondContact OD2-CB 3.42Å; K464-G466 VanDerWaalsContact C-N 3.31Å; K464-G466 PolarHBondContact O-N 3.44Å; K464-T467 PolarHBondContact O-N 3.4Å; K464-A468 PolarHBondContact O-N 3.17Å
465V93.3Very high92.6Very high9 Ų965.9 Ų65.96%0.05534%0.342CS..Hα-helixtrans-59.9-43.3173.3168.40000110.5T453 F454 N457 L461 D462 T467 A468 C469T453-V465 HydrophobicContact CG2-CB 4.42Å; T453-V465 HydrophobicContact CG2-CG1 3.85Å; T453-V465 HydrophobicContact CG2-CG2 4.12Å; F454-V465 HydrophobicContact CD1-CG1 3.84Å; F454-V465 HydrophobicContact CE1-CG1 3.7Å; N457-V465 HydrophobicContact CB-CG2 3.69Å; N457-V465 WeakPolarHBondContact ND2-CG2 3.07Å; L461-V465 HydrophobicContact CD1-CB 4.04Å; L461-V465 HydrophobicContact CD1-CG1 3.55Å; D462-V465 PolarHBondContact O-N 3.25Å; D462-V465 WeakPolarHBondContact OD1-CB 3.26Å; D462-V465 VanDerWaalsContact OD1-CG2 3.28Å; D462-V465 WeakPolarHBondContact OD1-CG2 3.25Å; D462-V465 PolarHBondContact OD1-N 3.14Å; V465-T467 VanDerWaalsContact C-N 3.33Å; V465-T467 PolarHBondContact O-N 3Å; V465-A468 WeakPolarHBondContact O-CB 3.04Å; V465-A468 PolarHBondContact O-N 2.89Å; V465-C469 PolarHBondContact O-N 2.96Å; V465-C469 PolarHBondContact O-SG 3.45Å
466G93.3Very high92.7Very high0 Ų063.9 Ų63.90%033%0.327CS..Hα-helixtrans-59.3-42.4175.400000112.9A115 D462 K464 C469 L470A115-G466 WeakPolarHBondContact CA-O 3.36Å; A115-G466 VanDerWaalsContact CB-O 3.26Å; A115-G466 WeakPolarHBondContact CB-O 3.44Å; D462-G466 PolarHBondContact O-N 3.5Å; K464-G466 VanDerWaalsContact C-N 3.31Å; K464-G466 PolarHBondContact O-N 3.44Å; G466-C469 PolarHBondContact O-N 3.22Å; G466-L470 PolarHBondContact O-N 3.05Å
467T93.8Very high92.6Very high71 Ų7159.9 Ų59.944%0.43630%0.301SS..Hα-helixtrans-66.6-40.5175.5-53.60000111.7K463 K464 V465 C469 L470 V471K463-T467 WeakPolarHBondContact O-CB 3.36Å; K463-T467 PolarHBondContact O-N 3.3Å; K463-T467 PolarHBondContact O-OG1 2.97Å; K464-T467 PolarHBondContact O-N 3.4Å; V465-T467 VanDerWaalsContact C-N 3.33Å; V465-T467 PolarHBondContact O-N 3Å; T467-C469 VanDerWaalsContact C-N 3.34Å; T467-C469 PolarHBondContact O-N 3.16Å; T467-L470 WeakPolarHBondContact O-CB 3.04Å; T467-L470 PolarHBondContact O-N 3.23Å; T467-V471 WeakPolarHBondContact O-CG2 3.43Å; T467-V471 PolarHBondContact O-N 2.87Å
468A94.7Very high92.7Very high40 Ų4061.6 Ų61.633%0.33131%0.313SS..Hα-helixtrans-61.2-42.2174.900000111.6K464 V465 L470 V471 M472K464-A468 PolarHBondContact O-N 3.17Å; V465-A468 WeakPolarHBondContact O-CB 3.04Å; V465-A468 PolarHBondContact O-N 2.89Å; A468-L470 VanDerWaalsContact C-N 3.34Å; A468-L470 PolarHBondContact O-N 3.03Å; A468-V471 PolarHBondContact O-N 2.9Å; A468-M472 WeakPolarHBondContact O-CG 3.1Å; A468-M472 PolarHBondContact O-N 3.25Å
469C94.4Very high92.7Very high0 Ų057.5 Ų57.50%030%0.295CS..Hα-helixtrans-61.7-40.7175.1-63.40000112A114 A115 V465 G466 T467 M472 Y473A114-C469 HydrophobicContact CB-CB 4.45Å; A115-C469 HydrophobicContact CB-CB 4.03Å; V465-C469 PolarHBondContact O-N 2.96Å; V465-C469 PolarHBondContact O-SG 3.45Å; G466-C469 PolarHBondContact O-N 3.22Å; T467-C469 VanDerWaalsContact C-N 3.34Å; T467-C469 PolarHBondContact O-N 3.16Å; C469-M472 HydrophobicContact CB-CE 4.45Å; C469-M472 PolarHBondContact O-N 3.38Å; C469-Y473 WeakPolarHBondContact O-CB 3.09Å; C469-Y473 PolarHBondContact O-N 3.38Å
470L95Very high92.8Very high69 Ų6956 Ų5636%0.36129%0.289SS..Hα-helixtrans-63.2-42.5175.8-173.662000112.1A115 I119 G466 T467 A468 Y473 L474A115-L470 HydrophobicContact CB-CB 3.86Å; A115-L470 HydrophobicContact CB-CD1 4.44Å; I119-L470 HydrophobicContact CD1-CD2 4.11Å; G466-L470 PolarHBondContact O-N 3.05Å; T467-L470 WeakPolarHBondContact O-CB 3.04Å; T467-L470 PolarHBondContact O-N 3.23Å; A468-L470 VanDerWaalsContact C-N 3.34Å; A468-L470 PolarHBondContact O-N 3.03Å; L470-Y473 WeakPolarHBondContact O-CB 3.26Å; L470-Y473 PolarHBondContact O-N 2.03Å; L470-L474 WeakPolarHBondContact O-CG 3.37Å; L470-L474 PolarHBondContact O-N 3.35Å
471V95.5Very high92.8Very high82 Ų8251.6 Ų51.650%0.49727%0.273SS..Hα-helixtrans-64.6-45.2176.8173.20000110.6T467 A468 Y473 L474 V475T467-V471 WeakPolarHBondContact O-CG2 3.43Å; T467-V471 PolarHBondContact O-N 2.87Å; A468-V471 PolarHBondContact O-N 2.9Å; V471-Y473 VanDerWaalsContact C-N 3.29Å; V471-Y473 PolarHBondContact O-N 3.17Å; V471-L474 PolarHBondContact O-N 3.13Å; V471-V475 HydrophobicContact CG1-CG2 4.41Å; V471-V475 VanDerWaalsContact O-CG2 3.32Å; V471-V475 WeakPolarHBondContact O-CG2 3.18Å; V471-V475 PolarHBondContact O-N 2.99Å
472M94.4Very high92.8Very high41 Ų4154.4 Ų54.420%0.20229%0.288CS..Hα-helixtrans-58.7-41.6175.2-71.6-172.5-66.600111.7L111 L449 A468 C469 V475 F476L111-M472 HydrophobicContact CD1-CB 4.1Å; L111-M472 HydrophobicContact CD2-CB 4.2Å; L111-M472 HydrophobicContact CD2-CE 4.11Å; L449-M472 HydrophobicContact CB-SD 3.99Å; A468-M472 WeakPolarHBondContact O-CG 3.1Å; A468-M472 PolarHBondContact O-N 3.25Å; C469-M472 HydrophobicContact CB-CE 4.45Å; C469-M472 PolarHBondContact O-N 3.38Å; M472-V475 PolarHBondContact O-N 2.92Å; M472-F476 WeakPolarHBondContact O-CB 3.35Å; M472-F476 PolarHBondContact O-N 3.35Å
473Y94.6Very high92.7Very high30 Ų3053.1 Ų53.112%0.11828%0.281CS..Hα-helixtrans-59.3-51.4175.9175.1-109.5000111.5V107 F108 L111 A112 C469 L470 V471 V475 F476 M477V107-Y473 HydrophobicContact CG1-CD2 4Å; V107-Y473 HydrophobicContact CG1-CE2 4.38Å; F108-Y473 HydrophobicContact CB-CE2 4.43Å; F108-Y473 HydrophobicContact CD2-CE2 4.18Å; F108-Y473 AromaticContact CD2-CZ 3.93Å; L111-Y473 HydrophobicContact CB-CD2 4.34Å; A112-Y473 HydrophobicContact CB-CD1 4.43Å; A112-Y473 HydrophobicContact CB-CD2 4.23Å; A112-Y473 HydrophobicContact CB-CE2 4.33Å; A112-Y473 HydrophobicContact CB-CG 4.3Å; C469-Y473 WeakPolarHBondContact O-CB 3.09Å; C469-Y473 PolarHBondContact O-N 3.38Å; L470-Y473 WeakPolarHBondContact O-CB 3.26Å; L470-Y473 PolarHBondContact O-N 2.03Å; V471-Y473 VanDerWaalsContact C-N 3.29Å; V471-Y473 PolarHBondContact O-N 3.17Å; Y473-V475 VanDerWaalsContact C-N 3.33Å; Y473-V475 PolarHBondContact O-N 2.91Å; Y473-F476 WeakPolarHBondContact O-CB 3.27Å; Y473-F476 PolarHBondContact O-N 3.02Å; Y473-M477 HydrophobicContact CD1-CG 4.3Å; Y473-M477 HydrophobicContact CD2-CG 4.1Å; Y473-M477 HydrophobicContact CD2-SD 4.45Å; Y473-M477 HydrophobicContact CE1-CG 3.87Å; Y473-M477 HydrophobicContact CE2-CG 3.64Å; Y473-M477 HydrophobicContact CE2-SD 3.64Å; Y473-M477 HydrophobicContact CG-CG 4.39Å; Y473-M477 VanDerWaalsContact O-CG 3.3Å; Y473-M477 WeakPolarHBondContact O-CG 3.41Å; Y473-M477 PolarHBondContact O-N 3.36Å
474L94.3Very high92.5Very high98 Ų9847.3 Ų47.351%0.51326%0.255SS..Hα-helixtrans-62.5-39.8-180-67.6175000112.4L470 V471 M477 V478L470-L474 WeakPolarHBondContact O-CG 3.37Å; L470-L474 PolarHBondContact O-N 3.35Å; V471-L474 PolarHBondContact O-N 3.13Å; L474-M477 PolarHBondContact O-N 2.87Å; L474-V478 WeakPolarHBondContact O-CG2 3.23Å; L474-V478 PolarHBondContact O-N 3.33Å
475V93.5Very high92.3Very high94 Ų9443.1 Ų43.157%0.5724%0.241SC*.Hα-helixtrans-62.6-45.3175.9170.50000110.8V471 M472 Y473 V478 F479V471-V475 HydrophobicContact CG1-CG2 4.41Å; V471-V475 VanDerWaalsContact O-CG2 3.32Å; V471-V475 WeakPolarHBondContact O-CG2 3.18Å; V471-V475 PolarHBondContact O-N 2.99Å; M472-V475 PolarHBondContact O-N 2.92Å; Y473-V475 VanDerWaalsContact C-N 3.33Å; Y473-V475 PolarHBondContact O-N 2.91Å; V475-V478 PolarHBondContact O-N 2.84Å; V475-F479 WeakPolarHBondContact O-CB 3.2Å; V475-F479 PolarHBondContact O-N 2.92Å
476F91.3Very high92Very high9 Ų945.3 Ų45.34%0.03925%0.252CS..Hα-helixtrans-59.4-50.3175173.1-84.6000111.3V107 I366 T442 T446 M472 Y473 V478 F479 A480V107-F476 HydrophobicContact CB-CD1 4.11Å; V107-F476 HydrophobicContact CB-CE1 3.96Å; V107-F476 HydrophobicContact CB-CZ 4.39Å; V107-F476 HydrophobicContact CG1-CB 4.39Å; V107-F476 HydrophobicContact CG1-CD1 3.57Å; V107-F476 HydrophobicContact CG1-CD2 4.43Å; V107-F476 HydrophobicContact CG1-CE1 3.95Å; V107-F476 HydrophobicContact CG1-CG 3.86Å; V107-F476 HydrophobicContact CG2-CD1 3.97Å; V107-F476 HydrophobicContact CG2-CD2 4.29Å; V107-F476 HydrophobicContact CG2-CE1 3.51Å; V107-F476 HydrophobicContact CG2-CE2 3.82Å; V107-F476 HydrophobicContact CG2-CG 4.36Å; V107-F476 HydrophobicContact CG2-CZ 3.45Å; V107-F476 VanDerWaalsContact CG2-CZ 3.45Å; I366-F476 HydrophobicContact CG2-CE1 4.44Å; T442-F476 VanDerWaalsContact OG1-CE2 3.25Å; T442-F476 WeakPolarHBondContact OG1-CE2 3.49Å; T446-F476 HydrophobicContact CG2-CB 4.27Å; T446-F476 HydrophobicContact CG2-CD2 3.66Å; T446-F476 HydrophobicContact CG2-CE2 4.45Å; T446-F476 HydrophobicContact CG2-CG 4.25Å; M472-F476 WeakPolarHBondContact O-CB 3.35Å; M472-F476 PolarHBondContact O-N 3.35Å; Y473-F476 WeakPolarHBondContact O-CB 3.27Å; Y473-F476 PolarHBondContact O-N 3.02Å; F476-V478 VanDerWaalsContact C-N 3.28Å; F476-V478 PolarHBondContact O-N 3.42Å; F476-F479 PolarHBondContact O-N 2.98Å; F476-F479 VanDerWaalsContact O-N 3.08Å; F476-A480 HydrophobicContact CD1-CB 4.46Å; F476-A480 HydrophobicContact CE1-CB 3.94Å; F476-A480 HydrophobicContact CZ-CB 4.03Å; F476-A480 WeakPolarHBondContact O-CB 3.46Å; F476-A480 PolarHBondContact O-N 2.9Å
477M91.4Very high91.8Very high19 Ų1949.6 Ų49.69%0.09428%0.278CS..Hα-helixtrans-58.6-41.8-176.9-71-51-59.100111.7I366 T367 Y473 L474 S481I366-M477 HydrophobicContact CG2-CE 4.31Å; T367-M477 HydrophobicContact CG2-CE 3.22Å; Y473-M477 HydrophobicContact CD1-CG 4.3Å; Y473-M477 HydrophobicContact CD2-CG 4.1Å; Y473-M477 HydrophobicContact CD2-SD 4.45Å; Y473-M477 HydrophobicContact CE1-CG 3.87Å; Y473-M477 HydrophobicContact CE2-CG 3.64Å; Y473-M477 HydrophobicContact CE2-SD 3.64Å; Y473-M477 HydrophobicContact CG-CG 4.39Å; Y473-M477 VanDerWaalsContact O-CG 3.3Å; Y473-M477 WeakPolarHBondContact O-CG 3.41Å; Y473-M477 PolarHBondContact O-N 3.36Å; L474-M477 PolarHBondContact O-N 2.87Å; M477-S481 VanDerWaalsContact O-CB 3.28Å; M477-S481 WeakPolarHBondContact O-CB 3.41Å; M477-S481 PolarHBondContact O-N 3.39Å; M477-S481 VanDerWaalsContact O-N 3.09Å; M477-S481 PolarHBondContact O-OG 3.42Å
478V92.3Very high91.4Very high88 Ų8851.8 Ų51.853%0.53328%0.282SS..Hα-helixtrans-66.1-47.4175.3172.80000110.6L474 V475 F476 S481 L482L474-V478 WeakPolarHBondContact O-CG2 3.23Å; L474-V478 PolarHBondContact O-N 3.33Å; V475-V478 PolarHBondContact O-N 2.84Å; F476-V478 VanDerWaalsContact C-N 3.28Å; F476-V478 PolarHBondContact O-N 3.42Å; V478-S481 PolarHBondContact O-N 3.49Å; V478-L482 HydrophobicContact CG1-CD1 3.85Å; V478-L482 HydrophobicContact CG1-CG 4.3Å; V478-L482 WeakPolarHBondContact O-CB 3.4Å; V478-L482 VanDerWaalsContact O-CG 3.23Å; V478-L482 WeakPolarHBondContact O-CG 3.21Å; V478-L482 PolarHBondContact O-N 2.94Å
479F91.3Very high90.9Very high89 Ų8953.9 Ų53.939%0.3928%0.284SS..Hα-helixtrans-62.4-47.3-178.2-173.9-106.8000112.7T442 V475 F476 S481 L482 I483 F488T442-F479 HydrophobicContact CG2-CD1 3.8Å; T442-F479 HydrophobicContact CG2-CE1 3.55Å; V475-F479 WeakPolarHBondContact O-CB 3.2Å; V475-F479 PolarHBondContact O-N 2.92Å; F476-F479 PolarHBondContact O-N 2.98Å; F476-F479 VanDerWaalsContact O-N 3.08Å; F479-S481 PolarHBondContact O-N 2.85Å; F479-L482 PolarHBondContact O-N 3.22Å; F479-I483 HydrophobicContact CD1-CD1 3.77Å; F479-I483 HydrophobicContact CE1-CD1 3.31Å; F479-I483 HydrophobicContact CE1-CG1 4.37Å; F479-I483 HydrophobicContact CE2-CD1 4.42Å; F479-I483 HydrophobicContact CZ-CD1 3.69Å; F479-I483 HydrophobicContact CZ-CG1 4.41Å; F479-I483 WeakPolarHBondContact O-CG1 3.25Å; F479-I483 PolarHBondContact O-N 2.88Å; F479-I483 VanDerWaalsContact O-N 3.08Å; F479-F488 HydrophobicContact CD2-CE2 4.22Å; F479-F488 HydrophobicContact CE2-CE2 4.01Å; F479-F488 HydrophobicContact CE2-CZ 4.26Å
480A89.8Confident90.2Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-61.4-44.4176.700000111.5F476 L482 I483 E484F476-A480 HydrophobicContact CD1-CB 4.46Å; F476-A480 HydrophobicContact CE1-CB 3.94Å; F476-A480 HydrophobicContact CZ-CB 4.03Å; F476-A480 WeakPolarHBondContact O-CB 3.46Å; F476-A480 PolarHBondContact O-N 2.9Å; A480-L482 VanDerWaalsContact C-N 3.33Å; A480-L482 PolarHBondContact O-N 2.91Å; A480-I483 PolarHBondContact O-N 3.28Å; A480-E484 PolarHBondContact O-N 2.92Å; A480-E484 VanDerWaalsContact O-N 3.1Å
481S89.7Confident89.6Confident25 Ų2562.3 Ų62.318%0.17531%0.312CS..Hα-helixtrans-62-39.7176.8-580000112.2M477 V478 F479 L485M477-S481 VanDerWaalsContact O-CB 3.28Å; M477-S481 WeakPolarHBondContact O-CB 3.41Å; M477-S481 PolarHBondContact O-N 3.39Å; M477-S481 VanDerWaalsContact O-N 3.09Å; M477-S481 PolarHBondContact O-OG 3.42Å; V478-S481 PolarHBondContact O-N 3.49Å; F479-S481 PolarHBondContact O-N 2.85Å; S481-L485 VanDerWaalsContact O-CB 3.28Å; S481-L485 WeakPolarHBondContact O-CB 3.31Å; S481-L485 WeakPolarHBondContact O-CD1 3.43Å; S481-L485 WeakPolarHBondContact O-CG 3.46Å; S481-L485 PolarHBondContact O-N 3.4Å
482L91Very high88.8Confident59 Ų5959.5 Ų59.531%0.30929%0.294SS..Hα-helixtrans-67.5-35.8178.3-71.4173.5000112.7V478 F479 A480 V487 F488V478-L482 HydrophobicContact CG1-CD1 3.85Å; V478-L482 HydrophobicContact CG1-CG 4.3Å; V478-L482 WeakPolarHBondContact O-CB 3.4Å; V478-L482 VanDerWaalsContact O-CG 3.23Å; V478-L482 WeakPolarHBondContact O-CG 3.21Å; V478-L482 PolarHBondContact O-N 2.94Å; F479-L482 PolarHBondContact O-N 3.22Å; A480-L482 VanDerWaalsContact C-N 3.33Å; A480-L482 PolarHBondContact O-N 2.91Å; L482-V487 HydrophobicContact CB-CB 4.45Å; L482-V487 HydrophobicContact CD2-CB 4.36Å; L482-V487 HydrophobicContact CD2-CG1 4.39Å; L482-V487 HydrophobicContact CD2-CG2 3.92Å; L482-V487 VanDerWaalsContact O-CB 3.3Å; L482-V487 WeakPolarHBondContact O-CB 3.48Å; L482-V487 WeakPolarHBondContact O-CG2 3.27Å; L482-V487 PolarHBondContact O-N 2.96Å; L482-V487 VanDerWaalsContact O-N 3.15Å; L482-F488 HydrophobicContact CB-CD2 4.34Å; L482-F488 HydrophobicContact CB-CE2 3.75Å; L482-F488 HydrophobicContact CD1-CE2 4.38Å; L482-F488 HydrophobicContact CD1-CZ 4.45Å
483I89.6Confident88Confident4 Ų461.5 Ų61.52%0.02131%0.305CS..Hα-helixtrans-62.7-55.3174.3-71.9170.2000109.6F479 A480 L485 N486 F488 F489 V491F479-I483 HydrophobicContact CD1-CD1 3.77Å; F479-I483 HydrophobicContact CE1-CD1 3.31Å; F479-I483 HydrophobicContact CE1-CG1 4.37Å; F479-I483 HydrophobicContact CE2-CD1 4.42Å; F479-I483 HydrophobicContact CZ-CD1 3.69Å; F479-I483 HydrophobicContact CZ-CG1 4.41Å; F479-I483 WeakPolarHBondContact O-CG1 3.25Å; F479-I483 PolarHBondContact O-N 2.88Å; F479-I483 VanDerWaalsContact O-N 3.08Å; A480-I483 PolarHBondContact O-N 3.28Å; I483-L485 VanDerWaalsContact C-N 3.27Å; I483-L485 PolarHBondContact O-N 2.71Å; I483-N486 PolarHBondContact O-N 3.44Å; I483-F488 HydrophobicContact CG1-CD2 4Å; I483-F488 HydrophobicContact CG1-CE2 4.42Å; I483-F489 HydrophobicContact CG2-CZ 4.37Å; I483-V491 HydrophobicContact CG2-CG1 4.15Å; I483-V491 HydrophobicContact CG2-CG2 4.31Å; I483-V491 WeakPolarHBondContact O-CG2 3.39Å
484E87.9Confident87Confident0 Ų064.3 Ų64.30%033%0.327CS..Hα-helixtrans-63.9-30.1-177.5-70.1-68.3156.200113S362 V363 I366 S433 G435 L436 A480 N486 N492S362-E484 VanDerWaalsContact CB-OE2 3.27Å; S362-E484 WeakPolarHBondContact CB-OE2 3.41Å; S362-E484 VanDerWaalsContact OG-CD 3.3Å; S362-E484 PolarHBondContact OG-OE2 3.19Å; V363-E484 HydrophobicContact CG2-CB 3.28Å; V363-E484 HydrophobicContact CG2-CG 4.07Å; I366-E484 HydrophobicContact CD1-CG 4.26Å; S433-E484 PolarHBondContact OG-OE1 3.1Å; S433-E484 PolarHBondContact OG-OE2 2.97Å; G435-E484 WeakPolarHBondContact CA-OE1 3.45Å; L436-E484 PolarHBondContact N-OE1 3.11Å; A480-E484 PolarHBondContact O-N 2.92Å; A480-E484 VanDerWaalsContact O-N 3.1Å; E484-N486 PolarHBondContact O-N 3.24Å; E484-N486 VanDerWaalsContact O-N 3.11Å; E484-N492 PolarHBondContact O-ND2 2.77Å; E484-N492 PolarHBondContact OE2-ND2 2.88Å
485L87.2Confident86Confident79 Ų7963.4 Ų63.441%0.41433%0.326SS..THydrogen-bonded Turntrans-75.311.6173.9-71.2171.7000114P360 V363 S481 I483 V487P360-L485 HydrophobicContact CG-CD2 4.21Å; V363-L485 HydrophobicContact CG2-CG 4.49Å; S481-L485 VanDerWaalsContact O-CB 3.28Å; S481-L485 WeakPolarHBondContact O-CB 3.31Å; S481-L485 WeakPolarHBondContact O-CD1 3.43Å; S481-L485 WeakPolarHBondContact O-CG 3.46Å; S481-L485 PolarHBondContact O-N 3.4Å; I483-L485 VanDerWaalsContact C-N 3.27Å; I483-L485 PolarHBondContact O-N 2.71Å; L485-V487 HydrophobicContact CB-CG2 4.01Å; L485-V487 PolarHBondContact O-N 3.35Å
486N87.8Confident85.3Confident55 Ų5559.9 Ų59.929%0.29431%0.305SS..THydrogen-bonded Turntrans59.225-180-65.9-40.1000114.3I483 E484 F489 R490 V491 N492I483-N486 PolarHBondContact O-N 3.44Å; E484-N486 PolarHBondContact O-N 3.24Å; E484-N486 VanDerWaalsContact O-N 3.11Å; N486-F489 WeakPolarHBondContact CA-O 3.29Å; N486-R490 WeakPolarHBondContact OD1-CA 3.32Å; N486-V491 WeakPolarHBondContact OD1-CG2 3.43Å; N486-V491 PolarHBondContact OD1-N 3.41Å; N486-N492 PolarHBondContact ND2-O 3.3Å; N486-N492 PolarHBondContact OD1-N 2.77Å; N486-N492 PolarHBondContact OD1-O 3.33Å
487V88.5Confident83.9Confident89 Ų8963 Ų6354%0.53934%0.34SS..SBendtrans-71.6-41.5-175177.90000111.5L482 L485L482-V487 HydrophobicContact CB-CB 4.45Å; L482-V487 HydrophobicContact CD2-CB 4.36Å; L482-V487 HydrophobicContact CD2-CG1 4.39Å; L482-V487 HydrophobicContact CD2-CG2 3.92Å; L482-V487 VanDerWaalsContact O-CB 3.3Å; L482-V487 WeakPolarHBondContact O-CB 3.48Å; L482-V487 WeakPolarHBondContact O-CG2 3.27Å; L482-V487 PolarHBondContact O-N 2.96Å; L482-V487 VanDerWaalsContact O-N 3.15Å; L485-V487 HydrophobicContact CB-CG2 4.01Å; L485-V487 PolarHBondContact O-N 3.35Å
488F85.3Confident82.2Confident117 Ų11767 Ų6751%0.51335%0.354SS..SBendtrans-85.7-50.1-179.8-65.7-70000112.2F479 L482 I483F479-F488 HydrophobicContact CD2-CE2 4.22Å; F479-F488 HydrophobicContact CE2-CE2 4.01Å; F479-F488 HydrophobicContact CE2-CZ 4.26Å; L482-F488 HydrophobicContact CB-CD2 4.34Å; L482-F488 HydrophobicContact CB-CE2 3.75Å; L482-F488 HydrophobicContact CD1-CE2 4.38Å; L482-F488 HydrophobicContact CD1-CZ 4.45Å; I483-F488 HydrophobicContact CG1-CD2 4Å; I483-F488 HydrophobicContact CG1-CE2 4.42Å
489F84.6Confident79.4Confident85 Ų8571.8 Ų71.837%0.37339%0.391SS..SBendtrans-152.3161.1-179.546-88.7000108.7Y438 I483 N486 V491Y438-F489 HydrophobicContact CD1-CZ 4.12Å; Y438-F489 AromaticContact CD2-CE2 3.8Å; Y438-F489 HydrophobicContact CD2-CE2 3.8Å; Y438-F489 AromaticContact CD2-CZ 3.94Å; Y438-F489 HydrophobicContact CD2-CZ 3.94Å; Y438-F489 HydrophobicContact CE1-CE2 4.3Å; Y438-F489 AromaticContact CE1-CZ 3.95Å; Y438-F489 HydrophobicContact CE1-CZ 3.95Å; Y438-F489 AromaticContact CE2-CE2 3.41Å; Y438-F489 HydrophobicContact CE2-CE2 3.41Å; Y438-F489 VanDerWaalsContact CE2-CE2 3.41Å; Y438-F489 AromaticContact CE2-CZ 3.82Å; Y438-F489 HydrophobicContact CE2-CZ 3.82Å; Y438-F489 HydrophobicContact CG-CE2 4.43Å; Y438-F489 HydrophobicContact CG-CZ 4.11Å; Y438-F489 AromaticContact CZ-CE2 3.67Å; Y438-F489 AromaticContact CZ-CZ 3.81Å; I483-F489 HydrophobicContact CG2-CZ 4.37Å; N486-F489 WeakPolarHBondContact CA-O 3.29Å; F489-V491 HydrophobicContact CD2-CG1 3.32Å; F489-V491 HydrophobicContact CE2-CG1 3.14Å; F489-V491 HydrophobicContact CZ-CG1 4.24Å; F489-V491 PolarHBondContact O-N 2.99Å
490R79.6Confident78.8Confident234 Ų23471 Ų7188%0.88339%0.391SS*.  trans-76.8109.8179.3-70.7-173.7-177.7179.60.4109.8N486N486-R490 WeakPolarHBondContact OD1-CA 3.32Å
491V81.5Confident78.2Confident12 Ų1274.7 Ų74.77%0.07341%0.412CS..  trans-108.4-31.5172.8-64.50000112.7A434 Y438 I483 N486 F489A434-V491 HydrophobicContact CB-CB 4.4Å; A434-V491 PolarHBondContact N-O 2.96Å; Y438-V491 HydrophobicContact CD2-CG1 4.44Å; Y438-V491 HydrophobicContact CE2-CG1 4.39Å; I483-V491 HydrophobicContact CG2-CG1 4.15Å; I483-V491 HydrophobicContact CG2-CG2 4.31Å; I483-V491 WeakPolarHBondContact O-CG2 3.39Å; N486-V491 WeakPolarHBondContact OD1-CG2 3.43Å; N486-V491 PolarHBondContact OD1-N 3.41Å; F489-V491 HydrophobicContact CD2-CG1 3.32Å; F489-V491 HydrophobicContact CE2-CG1 3.14Å; F489-V491 HydrophobicContact CZ-CG1 4.24Å; F489-V491 PolarHBondContact O-N 2.99Å
492N80.1Confident77.6Confident22 Ų2277.4 Ų77.412%0.11843%0.425CS..SBendtrans-108.6134.9178-78.5-54.6000110.5S433 E484 N486S433-N492 WeakPolarHBondContact CB-OD1 3.32Å; S433-N492 PolarHBondContact OG-OD1 2.95Å; S433-N492 VanDerWaalsContact OG-OD1 3.1Å; E484-N492 PolarHBondContact O-ND2 2.77Å; E484-N492 PolarHBondContact OE2-ND2 2.88Å; N486-N492 PolarHBondContact ND2-O 3.3Å; N486-N492 PolarHBondContact OD1-N 2.77Å; N486-N492 PolarHBondContact OD1-O 3.33Å
493L77.3Confident76.8Confident84 Ų8478.5 Ų78.544%0.4443%0.432SS..PPolyproline II helixtrans-68.5150.6165.3-73.6119.6000110.2N5N5-L493 HydrophobicContact CB-CD2 4.49Å
494P73.7Confident76Confident88 Ų8883.2 Ų83.257%0.57146%0.458SS*.PPolyproline II helixtrans-61.6147.1172.127.5-33.7000110C6 T7C6-P494 CarbonylContact C-O 3.55Å; C6-P494 WeakPolarHBondContact CA-O 3.37Å; C6-P494 HydrophobicContact CB-CG 4.39Å; C6-P494 WeakPolarHBondContact CB-O 3.46Å; T7-P494 PolarHBondContact N-O 3.38Å
495T73.9Confident75.2Confident80 Ų8088.7 Ų88.749%0.49149%0.488SS..BIsolated β-bridgetrans-68.8139.917139.40000110.3T7 P9 G497T7-T495 CarbonylContact O-C 3.53Å; T7-T495 WeakPolarHBondContact O-CA 3.26Å; P9-T495 HydrophobicContact CB-CG2 4.42Å; T495-G497 PolarHBondContact O-N 2.94Å
496C77.1Confident74.3Confident19 Ų1989.4 Ų89.413%0.12849%0.494CS..PPolyproline II helixtrans-62.4124.1176.6-650000109.5I4 C6 T7 R498I4-C496 VanDerWaalsContact CG2-SG 3.59Å; C6-C496 HydrophobicContact CB-CB 3.97Å; C6-C496 WeakPolarHBondContact CB-SG 3.48Å; C6-C496 PolarHBondContact O-SG 3.04Å; C6-C496 VanDerWaalsContact O-SG 3.35Å; C6-C496 WeakPolarHBondContact SG-CA 3.34Å; C6-C496 WeakPolarHBondContact SG-CB 3.27Å; C6-C496 CovalentContact SG-SG 2.03Å; C6-C496 PolarHBondContact SG-SG 3.43Å; T7-C496 PolarHBondContact O-N 3.02Å; C496-R498 PolarHBondContact O-N 3.29Å
497G62.9Low73.3Confident76 Ų7692.1 Ų92.178%0.78451%0.509SS*.PPolyproline II helixtrans-63.1130.6178.300000111.1T495 S499T495-G497 PolarHBondContact O-N 2.94Å; G497-S499 PolarHBondContact O-N 3.03Å
498R54.7Low72Confident103 Ų10392.3 Ų92.339%0.38951%0.506SS..PPolyproline II helixtrans-74118164.9-72.6-177.3176.2136.4-16.6107.7D12 D355 C496D12-R498 IonicContact OD1-CZ 3.75Å; D12-R498 IonicContact OD1-NE 3.34Å; D12-R498 PolarHBondContact OD1-NE 3.41Å; D12-R498 IonicContact OD1-NH2 3.33Å; D12-R498 PolarHBondContact OD1-NH2 3.33Å; D12-R498 IonicContact OD2-CZ 2.91Å; D12-R498 IonicContact OD2-NE 3.39Å; D12-R498 PolarHBondContact OD2-NE 3.01Å; D12-R498 IonicContact OD2-NH2 3.16Å; D12-R498 PolarHBondContact OD2-NH2 2.97Å; D355-R498 IonicContact OD2-NH1 3.61Å; D355-R498 PolarHBondContact OD2-NH1 3.36Å; C496-R498 PolarHBondContact O-N 3.29Å
499S33.8Very low70.8Confident188 Ų18890.1 Ų90.1100%1.31551%0.506SS*.  trans-68.50171.8580000111.9G497G497-S499 PolarHBondContact O-N 3.03Å

Retrieved 499 of 499 residues in 319.1 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).