G4VLW1_SCHMA Loading...

Putative actin

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession G4VLW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 376 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
1M34.1Very low74.5Confident237 Ų23784.4 Ų84.4100%1.16748%0.482SS*.  0116.10-76.2166.816700103.8D3M1-D3 PolarHBondContact O-N 3.18Å
2G40.1Very low76.5Confident73 Ų7377.7 Ų77.775%0.75344%0.444SS*.  trans-57.6129.1174.200000106.5E4G2-E4 VanDerWaalsContact C-N 3.27Å; G2-E4 PolarHBondContact O-N 3.43Å
3D47.9Very low78.1Confident152 Ų15272.5 Ų72.581%0.81341%0.414SS*.  trans-53.1106.1163.9-73.8-38.3000104.6M1 D5M1-D3 PolarHBondContact O-N 3.18Å; D3-D5 VanDerWaalsContact C-N 3.27Å; D3-D5 PolarHBondContact O-N 2.88Å
4E53.1Low79.4Confident180 Ų18068.2 Ų68.284%0.84139%0.394SS*.  trans-59.7106163.3-75.6-177.6162.500103.4G2 V6G2-E4 VanDerWaalsContact C-N 3.27Å; G2-E4 PolarHBondContact O-N 3.43Å; E4-V6 PolarHBondContact O-N 3.03Å
5D71.7Confident80.6Confident157 Ų15764.2 Ų64.284%0.8437%0.371SS*.  trans-50.4104-177.6-79.7-39.2000108D3 A7D3-D5 VanDerWaalsContact C-N 3.27Å; D3-D5 PolarHBondContact O-N 2.88Å; D5-A7 PolarHBondContact O-N 2.82Å; D5-A7 VanDerWaalsContact O-N 3.08Å
6V86.5Confident81.5Confident80 Ų8060.8 Ų60.849%0.48535%0.354SS..PPolyproline II helixtrans-66.2117.7-175.5-179.20000107.3E4 A8 E101 H102E4-V6 PolarHBondContact O-N 3.03Å; V6-A8 PolarHBondContact O-N 2.94Å; V6-E101 WeakPolarHBondContact CG1-O 3.45Å; V6-H102 VanDerWaalsContact CG1-ND1 3.28Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.47Å
7A93Very high82.4Confident41 Ų4161.2 Ų61.234%0.33935%0.353SS..PPolyproline II helixtrans-60.6129.3-175.300000110.7D5 F22 H102D5-A7 PolarHBondContact O-N 2.82Å; D5-A7 VanDerWaalsContact O-N 3.08Å; A7-F22 HydrophobicContact CB-CB 4.39Å; A7-F22 HydrophobicContact CB-CD1 3.99Å; A7-H102 PolarHBondContact O-ND1 2.93Å
8A97.5Very high83.3Confident8 Ų857.8 Ų57.87%0.06633%0.333CS..PPolyproline II helixtrans-65.9148.2174.800000111V6 A23 P103 A348 W357V6-A8 PolarHBondContact O-N 2.94Å; A8-A23 HydrophobicContact CB-CB 4.16Å; A8-A23 WeakPolarHBondContact O-CB 3.23Å; A8-A23 PolarHBondContact O-N 3.38Å; A8-P103 CarbonylContact C-O 3.54Å; A8-P103 VanDerWaalsContact CA-O 3.27Å; A8-P103 WeakPolarHBondContact CA-O 3.42Å; A8-P103 HydrophobicContact CB-CB 4.03Å; A8-A348 HydrophobicContact CB-CB 4.16Å; A8-W357 HydrophobicContact CB-CH2 3.88Å; A8-W357 HydrophobicContact CB-CZ2 3.69Å
9L98.4Very high84.1Confident0 Ų056.1 Ų56.10%032%0.321CS..EExtended strand (participates in β ladder)trans-91.9139.5172.6-57.6176.2000109.7G21 F22 F91 L95 V97 H102 P103 V104 L105L9-G21 WeakPolarHBondContact CA-O 3.35Å; L9-F22 HydrophobicContact CD2-CD1 3.55Å; L9-F22 HydrophobicContact CD2-CE1 3.51Å; L9-F22 HydrophobicContact CD2-CG 4.13Å; L9-F22 HydrophobicContact CD2-CZ 4.05Å; L9-F91 HydrophobicContact CD1-CD1 3.79Å; L9-F91 HydrophobicContact CD1-CE1 3.68Å; L9-L95 HydrophobicContact CD1-CD1 4.28Å; L9-L95 HydrophobicContact CD2-CD1 4.03Å; L9-V97 HydrophobicContact CD1-CG2 3.68Å; L9-V97 HydrophobicContact CD2-CG2 4.49Å; L9-H102 HydrophobicContact CD1-CB 3.82Å; L9-H102 HydrophobicContact CG-CB 3.77Å; L9-P103 PolarHBondContact N-O 3.45Å; L9-V104 HydrophobicContact CB-CG2 4.34Å; L9-V104 HydrophobicContact CD1-CG2 4.42Å; L9-V104 CarbonylContact O-C 3.57Å; L9-V104 WeakPolarHBondContact O-CA 3.46Å; L9-L105 PolarHBondContact O-N 2.92Å
10V98.7Very high84.8Confident0 Ų053.3 Ų53.30%031%0.305CS..EExtended strand (participates in β ladder)trans-115.6121.4175.6179.30000108.4A20 G21 A23 L105 W341 A348V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.46Å; V10-G21 PolarHBondContact N-O 3.39Å; V10-G21 PolarHBondContact O-N 3.43Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; V10-L105 WeakPolarHBondContact CA-O 3.45Å; V10-L105 HydrophobicContact CG1-CD2 4.17Å; V10-L105 HydrophobicContact CG2-CB 4.4Å; V10-W341 HydrophobicContact CB-CZ2 4.48Å; V10-W341 HydrophobicContact CG1-CG 4.28Å; V10-W341 PolarHBondContact O-NE1 3.06Å; V10-A348 HydrophobicContact CG2-CB 4.21Å
11I98.7Very high85.5Confident0 Ų050.7 Ų50.70%029%0.291CS..EExtended strand (participates in β ladder)trans-121107.7-179.4-55.7179000109.4K19 A20 T90 F91 V104 L105 L106 T107I11-K19 WeakPolarHBondContact CA-O 3.29Å; I11-A20 HydrophobicContact CG1-CB 4.36Å; I11-T90 HydrophobicContact CD1-CG2 4.01Å; I11-T90 HydrophobicContact CG1-CG2 4.22Å; I11-F91 HydrophobicContact CD1-CD1 4.47Å; I11-F91 HydrophobicContact CD1-CE1 3.6Å; I11-F91 HydrophobicContact CD1-CE2 4.43Å; I11-F91 HydrophobicContact CD1-CZ 3.57Å; I11-V104 HydrophobicContact CD1-CG1 3.91Å; I11-V104 HydrophobicContact CG1-CG1 4.3Å; I11-L105 PolarHBondContact N-O 3.26Å; I11-L106 HydrophobicContact CB-CD2 4.06Å; I11-L106 HydrophobicContact CD1-CD2 4.47Å; I11-L106 HydrophobicContact CG2-CD2 4.24Å; I11-T107 PolarHBondContact O-N 2.83Å
12D98.5Very high88.5Confident4 Ų440.9 Ų40.92%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-87.1106.6172.8176.431.6000111.4G14 C18 K19 T107 Q138 V340 W341D12-G14 PolarHBondContact O-N 3.32Å; D12-G14 VanDerWaalsContact O-N 3.16Å; D12-C18 WeakPolarHBondContact O-CA 3.26Å; D12-K19 HydrophobicContact CB-CB 4.14Å; D12-K19 PolarHBondContact N-O 3.43Å; D12-K19 PolarHBondContact O-N 3Å; D12-K19 VanDerWaalsContact O-N 3.09Å; D12-K19 IonicContact OD2-NZ 2.94Å; D12-K19 PolarHBondContact OD2-NZ 3.37Å; D12-T107 VanDerWaalsContact CA-OG1 3.25Å; D12-T107 WeakPolarHBondContact CA-OG1 3.48Å; D12-T107 HydrophobicContact CB-CG2 4.09Å; D12-T107 PolarHBondContact OD1-OG1 3.04Å; D12-Q138 PolarHBondContact OD1-NE2 2.81Å; D12-V340 HydrophobicContact CB-CG1 4.24Å; D12-V340 VanDerWaalsContact OD1-CG1 3.28Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.43Å; D12-W341 HydrophobicContact CB-CB 4.18Å
13N97.2Very high91.2Very high10 Ų1038.1 Ų38.15%0.05321%0.212CC..EExtended strand (participates in β ladder)trans-8579.2-176.3-58.8-58.5000111.5I72 M83 W87 L106 T107 Q138N13-I72 HydrophobicContact CB-CD1 4.19Å; N13-M83 HydrophobicContact CB-CE 4.29Å; N13-M83 VanDerWaalsContact OD1-CE 3.22Å; N13-M83 WeakPolarHBondContact OD1-CE 3.34Å; N13-W87 PolarHBondContact OD1-NE1 3.08Å; N13-L106 WeakPolarHBondContact ND2-CD2 3.23Å; N13-T107 PolarHBondContact N-OG1 2.76Å; N13-T107 PolarHBondContact ND2-O 3.47Å; N13-Q138 PolarHBondContact O-NE2 2.9Å
14G96.6Very high93.5Very high13 Ų1333.3 Ų33.313%0.13420%0.198CC..  trans-85.6148.9175.500000113.6D12 G16 M17 S34D12-G14 PolarHBondContact O-N 3.32Å; D12-G14 VanDerWaalsContact O-N 3.16Å; G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 2.86Å; G14-M17 WeakPolarHBondContact CA-O 3.34Å; G14-M17 PolarHBondContact N-O 3.12Å; G14-S34 VanDerWaalsContact O-CB 3.28Å; G14-S34 WeakPolarHBondContact O-CB 3.26Å; G14-S34 PolarHBondContact O-OG 3.12Å
15S96.4Very high95.5Very high8 Ų827 Ų276%0.05617%0.17CC..SBendtrans-63.9-29.3177.9-510000114.7I72 G75 R184S15-I72 WeakPolarHBondContact OG-CG2 3.34Å; S15-G75 WeakPolarHBondContact OG-CA 3.35Å; S15-G75 PolarHBondContact OG-N 2.81Å; S15-R184 PolarHBondContact O-NH2 2.83Å
16G95.7Very high96.6Very high9 Ų927 Ų279%0.09317%0.17CC..SBendtrans-100.8-39.4177.200000112.9G14 P33 S34 D158G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 2.86Å; G16-P33 WeakPolarHBondContact O-CA 3.41Å; G16-S34 PolarHBondContact O-N 2.82Å; G16-D158 WeakPolarHBondContact CA-OD2 3.27Å
17M97.4Very high97.1Very high68 Ų6825.6 Ų25.634%0.33517%0.167SC..EExtended strand (participates in β ladder)trans-138133.2-173.5-57.6-62.3-68.500110.9G14 V31 F32 P33G14-M17 WeakPolarHBondContact CA-O 3.34Å; G14-M17 PolarHBondContact N-O 3.12Å; M17-V31 HydrophobicContact CE-CG1 3.69Å; M17-F32 CarbonylContact C-O 3.13Å; M17-F32 WeakPolarHBondContact CA-O 3.3Å; M17-F32 VanDerWaalsContact CE-C 3.41Å; M17-P33 HydrophobicContact CE-CG 4.3Å; M17-P33 HydrophobicContact SD-CB 4.25Å; M17-P33 HydrophobicContact SD-CG 4.08Å
18C98.3Very high97.3Very high1 Ų124.4 Ų24.41%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-90.1138.2166.5-178.30000108.5D12 V31 F32 S34 I86D12-C18 WeakPolarHBondContact O-CA 3.26Å; C18-V31 WeakPolarHBondContact O-CA 3.37Å; C18-F32 HydrophobicContact CB-CD1 4.47Å; C18-F32 HydrophobicContact CB-CD2 4.34Å; C18-F32 HydrophobicContact CB-CE1 3.94Å; C18-F32 HydrophobicContact CB-CE2 3.8Å; C18-F32 HydrophobicContact CB-CZ 3.58Å; C18-F32 PolarHBondContact N-O 3.18Å; C18-F32 PolarHBondContact O-N 3.28Å; C18-S34 PolarHBondContact N-OG 3.02Å; C18-I86 HydrophobicContact CB-CG2 4.44Å
19K98.6Very high97.3Very high24 Ų2431.6 Ų31.610%0.10418%0.181CC..EExtended strand (participates in β ladder)trans-126.8131.2175.4-43176.8-166.767.40109.1I11 D12 P28 A30 V31 K337 Y338 W341I11-K19 WeakPolarHBondContact CA-O 3.29Å; D12-K19 HydrophobicContact CB-CB 4.14Å; D12-K19 PolarHBondContact N-O 3.43Å; D12-K19 PolarHBondContact O-N 3Å; D12-K19 VanDerWaalsContact O-N 3.09Å; D12-K19 IonicContact OD2-NZ 2.94Å; D12-K19 PolarHBondContact OD2-NZ 3.37Å; K19-P28 HydrophobicContact CB-CB 4.01Å; K19-P28 HydrophobicContact CB-CG 4.29Å; K19-A30 CarbonylContact C-O 3.56Å; K19-A30 VanDerWaalsContact CA-O 3.31Å; K19-A30 WeakPolarHBondContact CA-O 3.49Å; K19-V31 HydrophobicContact CB-CG2 4.25Å; K19-V31 HydrophobicContact CG-CG1 4.23Å; K19-V31 HydrophobicContact CG-CG2 4.13Å; K19-K337 VanDerWaalsContact CE-O 3.22Å; K19-K337 WeakPolarHBondContact CE-O 3.39Å; K19-Y338 HydrophobicContact CD-CD1 3.78Å; K19-Y338 HydrophobicContact CD-CE1 4.37Å; K19-W341 HydrophobicContact CB-CB 4.43Å; K19-W341 HydrophobicContact CB-CG 4.36Å
20A98.7Very high97.3Very high0 Ų031.9 Ų31.90%018%0.183CC..EExtended strand (participates in β ladder)trans-141.4150.6-175.300000112.1V10 I11 P28 R29 A30 T90 L95V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.46Å; I11-A20 HydrophobicContact CG1-CB 4.36Å; A20-P28 CarbonylContact O-C 3.5Å; A20-R29 PolarHBondContact O-N 3.18Å; A20-A30 PolarHBondContact N-O 2.96Å; A20-A30 PolarHBondContact O-N 3.13Å; A20-T90 HydrophobicContact CB-CG2 3.3Å; A20-L95 HydrophobicContact CB-CD1 4.05Å; A20-L95 HydrophobicContact CB-CD2 4.27Å; A20-L95 HydrophobicContact CB-CG 4.27Å
21G98.5Very high97.3Very high0 Ų034.2 Ų34.20%020%0.198CC..EExtended strand (participates in β ladder)trans177.1-170.7177.900000111.5L9 V10L9-G21 WeakPolarHBondContact CA-O 3.35Å; V10-G21 PolarHBondContact N-O 3.39Å; V10-G21 PolarHBondContact O-N 3.43Å
22F98.1Very high97.3Very high30 Ų3034.2 Ų34.213%0.13220%0.198CC..EExtended strand (participates in β ladder)trans-94.8143.6-180-63-96.6000110.6A7 L9 D25 R29 V97 H102A7-F22 HydrophobicContact CB-CB 4.39Å; A7-F22 HydrophobicContact CB-CD1 3.99Å; L9-F22 HydrophobicContact CD2-CD1 3.55Å; L9-F22 HydrophobicContact CD2-CE1 3.51Å; L9-F22 HydrophobicContact CD2-CG 4.13Å; L9-F22 HydrophobicContact CD2-CZ 4.05Å; F22-D25 WeakPolarHBondContact O-CB 3.26Å; F22-D25 PolarHBondContact O-N 2.98Å; F22-R29 HydrophobicContact CD2-CG 4.36Å; F22-V97 HydrophobicContact CE1-CG1 4.14Å; F22-V97 HydrophobicContact CZ-CG1 3.6Å; F22-H102 AromaticContact CE1-CE1 3.87Å
23A96.8Very high97.2Very high16 Ų1634.8 Ų34.813%0.13220%0.202CC..THydrogen-bonded Turntrans-59.5137.217000000110.4A8 V10 A348A8-A23 HydrophobicContact CB-CB 4.16Å; A8-A23 WeakPolarHBondContact O-CB 3.23Å; A8-A23 PolarHBondContact O-N 3.38Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; A23-A348 HydrophobicContact CB-CB 3.62Å
24G94.4Very high97.2Very high50 Ų5034.3 Ų34.352%0.51520%0.199SC..THydrogen-bonded Turntrans90.4-14.1-173.800000114.8S345G24-S345 PolarHBondContact N-OG 3.02Å
25D96.1Very high97.3Very high48 Ų4833.8 Ų33.826%0.25719%0.193SC..  trans-74.1145.1169.9-73.1-15000110F22 A27 R29 W341 S345F22-D25 WeakPolarHBondContact O-CB 3.26Å; F22-D25 PolarHBondContact O-N 2.98Å; D25-A27 VanDerWaalsContact C-N 3.29Å; D25-A27 PolarHBondContact O-N 3.06Å; D25-R29 IonicContact OD1-NH2 2.95Å; D25-R29 PolarHBondContact OD1-NH2 3.23Å; D25-R29 IonicContact OD2-CZ 3.93Å; D25-R29 IonicContact OD2-NE 2.92Å; D25-R29 PolarHBondContact OD2-NE 3.03Å; D25-R29 IonicContact OD2-NH2 3.25Å; D25-R29 PolarHBondContact OD2-NH2 2.98Å; D25-R29 VanDerWaalsContact OD2-NH2 3.12Å; D25-W341 HydrophobicContact CB-CH2 3.91Å; D25-W341 WeakPolarHBondContact O-CH2 3.43Å; D25-W341 WeakPolarHBondContact O-CZ3 3.34Å; D25-S345 PolarHBondContact N-OG 3.25Å; D25-S345 PolarHBondContact O-OG 3.31Å
26D94.1Very high97.4Very high156 Ų15633.4 Ų33.483%0.83419%0.19SC*.SBendtrans-73.6-17.7-179.6-68.2-40.3000113.8
27A96.4Very high97.4Very high51 Ų5133 Ų3342%0.42119%0.186SC..SBendtrans-151.2153.8-177.500000110.9D25 R29 W341D25-A27 VanDerWaalsContact C-N 3.29Å; D25-A27 PolarHBondContact O-N 3.06Å; A27-R29 PolarHBondContact O-N 3.43Å; A27-W341 VanDerWaalsContact C-CH2 3.44Å; A27-W341 VanDerWaalsContact O-CH2 3.31Å; A27-W341 WeakPolarHBondContact O-CH2 3.43Å
28P98Very high97.3Very high17 Ų1733.5 Ų33.511%0.1118%0.184CC..  trans-61.3139.3175.926-34.3000110.7K19 A20 A30 V31 Y338 W341K19-P28 HydrophobicContact CB-CB 4.01Å; K19-P28 HydrophobicContact CB-CG 4.29Å; A20-P28 CarbonylContact O-C 3.5Å; P28-A30 VanDerWaalsContact C-N 3.32Å; P28-V31 HydrophobicContact CB-CG2 4.01Å; P28-V31 HydrophobicContact CG-CG2 3.53Å; P28-Y338 HydrophobicContact CG-CD1 4.4Å; P28-Y338 HydrophobicContact CG-CG 4.47Å; P28-W341 HydrophobicContact CB-CD2 3.75Å; P28-W341 HydrophobicContact CB-CE3 4.21Å; P28-W341 HydrophobicContact CB-CG 4.02Å; P28-W341 HydrophobicContact CB-CZ2 4.42Å; P28-W341 HydrophobicContact CG-CD2 4.3Å; P28-W341 HydrophobicContact CG-CE3 4.4Å
29R97.8Very high97Very high158 Ų15835.7 Ų35.760%0.59620%0.199SC*.SBendtrans-72.3-28.7174.8-64.6-149.2-179.6-176.34.4112.8A20 F22 D25 A27 L95A20-R29 PolarHBondContact O-N 3.18Å; F22-R29 HydrophobicContact CD2-CG 4.36Å; D25-R29 IonicContact OD1-NH2 2.95Å; D25-R29 PolarHBondContact OD1-NH2 3.23Å; D25-R29 IonicContact OD2-CZ 3.93Å; D25-R29 IonicContact OD2-NE 2.92Å; D25-R29 PolarHBondContact OD2-NE 3.03Å; D25-R29 IonicContact OD2-NH2 3.25Å; D25-R29 PolarHBondContact OD2-NH2 2.98Å; D25-R29 VanDerWaalsContact OD2-NH2 3.12Å; A27-R29 PolarHBondContact O-N 3.43Å; R29-L95 HydrophobicContact CB-CD2 4.04Å
30A98.2Very high96.5Very high6 Ų640.4 Ų40.45%0.0522%0.216CC..EExtended strand (participates in β ladder)trans-134137.5179.700000110.8K19 A20 P28 F32 E94K19-A30 CarbonylContact C-O 3.56Å; K19-A30 VanDerWaalsContact CA-O 3.31Å; K19-A30 WeakPolarHBondContact CA-O 3.49Å; A20-A30 PolarHBondContact N-O 2.96Å; A20-A30 PolarHBondContact O-N 3.13Å; P28-A30 VanDerWaalsContact C-N 3.32Å; A30-F32 HydrophobicContact CB-CD1 4.35Å; A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.19Å
31V98.2Very high95.7Very high49 Ų4946.9 Ų46.930%0.29725%0.246SC..EExtended strand (participates in β ladder)trans-140.1108.2173.5178.90000107.2M17 C18 K19 P28 Y338M17-V31 HydrophobicContact CE-CG1 3.69Å; C18-V31 WeakPolarHBondContact O-CA 3.37Å; K19-V31 HydrophobicContact CB-CG2 4.25Å; K19-V31 HydrophobicContact CG-CG1 4.23Å; K19-V31 HydrophobicContact CG-CG2 4.13Å; P28-V31 HydrophobicContact CB-CG2 4.01Å; P28-V31 HydrophobicContact CG-CG2 3.53Å; V31-Y338 HydrophobicContact CG2-CE1 4.25Å
32F98.3Very high94.5Very high0 Ų056.7 Ų56.70%029%0.292CS..EExtended strand (participates in β ladder)trans-140.1157.3-173.764.5-90.1000111.6M17 C18 A30 V55 I86 H89 T90 E94M17-F32 CarbonylContact C-O 3.13Å; M17-F32 WeakPolarHBondContact CA-O 3.3Å; M17-F32 VanDerWaalsContact CE-C 3.41Å; C18-F32 HydrophobicContact CB-CD1 4.47Å; C18-F32 HydrophobicContact CB-CD2 4.34Å; C18-F32 HydrophobicContact CB-CE1 3.94Å; C18-F32 HydrophobicContact CB-CE2 3.8Å; C18-F32 HydrophobicContact CB-CZ 3.58Å; C18-F32 PolarHBondContact N-O 3.18Å; C18-F32 PolarHBondContact O-N 3.28Å; A30-F32 HydrophobicContact CB-CD1 4.35Å; F32-V55 HydrophobicContact CE2-CG1 4.43Å; F32-I86 HydrophobicContact CE2-CG2 4.13Å; F32-I86 HydrophobicContact CZ-CG2 4.21Å; F32-H89 AromaticContact CE2-CD2 3.74Å; F32-H89 AromaticContact CZ-CD2 3.96Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.49Å; F32-E94 HydrophobicContact CD1-CG 3.78Å; F32-E94 HydrophobicContact CE1-CB 4.49Å; F32-E94 HydrophobicContact CE1-CG 3.78Å
33P97.8Very high93.2Very high17 Ų1757.2 Ų57.211%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-62134.8-179.2-25.635.8000113.5G16 M17 I35 G56 D57 Q60G16-P33 WeakPolarHBondContact O-CA 3.41Å; M17-P33 HydrophobicContact CE-CG 4.3Å; M17-P33 HydrophobicContact SD-CB 4.25Å; M17-P33 HydrophobicContact SD-CG 4.08Å; P33-I35 HydrophobicContact CB-CD1 3.96Å; P33-I35 HydrophobicContact CB-CG1 3.94Å; P33-I35 HydrophobicContact CB-CG2 4.42Å; P33-I35 PolarHBondContact O-N 2.96Å; P33-G56 WeakPolarHBondContact O-CA 3.33Å; P33-D57 WeakPolarHBondContact CD-OD1 3.18Å; P33-Q60 HydrophobicContact CG-CB 4.46Å
34S97.8Very high91.6Very high0 Ų059.7 Ų59.70%032%0.319CS..  trans-7863.6177.5-610000111.7G14 G16 C18 P71G14-S34 VanDerWaalsContact O-CB 3.28Å; G14-S34 WeakPolarHBondContact O-CB 3.26Å; G14-S34 PolarHBondContact O-OG 3.12Å; G16-S34 PolarHBondContact O-N 2.82Å; C18-S34 PolarHBondContact N-OG 3.02Å; S34-P71 WeakPolarHBondContact O-CD 3.07Å
35I97.7Very high90.1Very high1 Ų158 Ų581%0.00530%0.298CS..  trans-132.4149.5-174.664.3-179.9000112.5P33 V55 G56 A59 Q60 L68 K69 Y70P33-I35 HydrophobicContact CB-CD1 3.96Å; P33-I35 HydrophobicContact CB-CG1 3.94Å; P33-I35 HydrophobicContact CB-CG2 4.42Å; P33-I35 PolarHBondContact O-N 2.96Å; I35-V55 WeakPolarHBondContact O-CA 3.22Å; I35-G56 PolarHBondContact O-N 3.35Å; I35-G56 VanDerWaalsContact O-N 3.15Å; I35-A59 HydrophobicContact CD1-CB 3.96Å; I35-A59 HydrophobicContact CG1-CB 3.96Å; I35-Q60 HydrophobicContact CD1-CB 4Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.28Å; I35-L68 HydrophobicContact CD1-CD1 4.16Å; I35-L68 HydrophobicContact CD1-CD2 4.5Å; I35-K69 WeakPolarHBondContact CA-O 3.26Å; I35-Y70 HydrophobicContact CG2-CD1 3.47Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.47Å; I35-Y70 HydrophobicContact CG2-CE1 3.2Å; I35-Y70 HydrophobicContact CG2-CE2 4.28Å; I35-Y70 HydrophobicContact CG2-CG 4.14Å
36V98.2Very high88.4Confident0 Ų062.1 Ų62.10%032%0.324CS..EExtended strand (participates in β ladder)trans-121.8124.8168.8-177.70000109Y54 V55 K69 D82 K85 I86V36-Y54 CarbonylContact C-O 3.52Å; V36-Y54 WeakPolarHBondContact CA-O 3.49Å; V36-V55 HydrophobicContact CG2-CG2 4.37Å; V36-K69 PolarHBondContact N-O 3.2Å; V36-K69 PolarHBondContact O-N 3.32Å; V36-D82 HydrophobicContact CB-CB 4.21Å; V36-D82 HydrophobicContact CG2-CB 3.75Å; V36-K85 HydrophobicContact CG1-CD 4.08Å; V36-K85 HydrophobicContact CG2-CB 4.39Å; V36-I86 HydrophobicContact CG2-CG1 4.11Å
37G96.7Very high86.9Confident0 Ų058.6 Ų58.60%032%0.324CS..EExtended strand (participates in β ladder)trans-107.4136.917800000112.3S53 Y54 T67G37-S53 CarbonylContact O-C 3.59Å; G37-S53 WeakPolarHBondContact O-CA 3.34Å; G37-Y54 PolarHBondContact N-O 3.32Å; G37-Y54 PolarHBondContact O-N 3.03Å; G37-T67 WeakPolarHBondContact CA-O 3.32Å
38R95.1Very high85.2Confident80 Ų8062.5 Ų62.530%0.30234%0.336SS..EExtended strand (participates in β ladder)trans-124.3141.8174.3-66179.6176.481.4-10.3111.1R40 L66 T67 D82R38-R40 PolarHBondContact O-N 3.36Å; R38-L66 CarbonylContact O-C 3.5Å; R38-L66 WeakPolarHBondContact O-CA 3.36Å; R38-T67 PolarHBondContact N-O 3.18Å; R38-T67 PolarHBondContact O-N 2.82Å; R38-D82 IonicContact CZ-OD1 3.43Å; R38-D82 VanDerWaalsContact CZ-OD1 3.32Å; R38-D82 IonicContact CZ-OD2 2.81Å; R38-D82 IonicContact NH1-OD1 3.62Å; R38-D82 PolarHBondContact NH1-OD1 3.27Å; R38-D82 IonicContact NH1-OD2 3.47Å; R38-D82 PolarHBondContact NH1-OD2 2.98Å; R38-D82 IonicContact NH2-OD1 3.93Å; R38-D82 PolarHBondContact NH2-OD1 3.2Å; R38-D82 IonicContact NH2-OD2 2.85Å
39P92.5Very high83.5Confident47 Ų4765 Ų6531%0.30536%0.364SS..EExtended strand (participates in β ladder)trans-55.8133.1179.8-26.335.3000113.1M45 Y54 L66P39-M45 HydrophobicContact CG-CE 4.42Å; P39-M45 HydrophobicContact CG-SD 4.11Å; P39-Y54 HydrophobicContact CG-CE2 4.23Å; P39-L66 HydrophobicContact CB-CD2 4.41Å; P39-L66 HydrophobicContact CG-CD2 4.13Å
40R88Confident82.2Confident123 Ų12364 Ų6446%0.46437%0.366SS..SBendtrans-68.8-33.8179.7-73.8-179.2-176.8-165.12113.6R38 I65 L66 T67R38-R40 PolarHBondContact O-N 3.36Å; R40-I65 PolarHBondContact N-O 2.9Å; R40-I65 VanDerWaalsContact N-O 3.12Å; R40-L66 PolarHBondContact NE-O 2.79Å; R40-L66 PolarHBondContact NH2-O 2.78Å; R40-T67 WeakPolarHBondContact CG-OG1 3.33Å
41H82.1Confident81.5Confident136 Ų13668.5 Ų68.563%0.6339%0.385SS*.SBendtrans-135.2144.5178.3-48.2-71.7000110V44H41-V44 HydrophobicContact CB-CG2 3.66Å; H41-V44 WeakPolarHBondContact O-CG2 2.96Å
42Q73.1Confident81.1Confident206 Ų20673.2 Ų73.296%0.96341%0.408SS*.THydrogen-bonded Turntrans-63.1135.2171.1-70.9179.2-13.500109.5
43G69.7Low80.9Confident41 Ų4174.6 Ų74.642%0.42342%0.418SS..THydrogen-bonded Turntrans86.6-2.2176.500000116.8M45 V46G43-M45 PolarHBondContact O-N 3.04Å; G43-V46 WeakPolarHBondContact O-CG2 3.33Å
44V63.3Low80.8Confident68 Ų6874 Ų7441%0.41241%0.414SS..SBendtrans-61.8-25.8176.1176.70000112.1H41 I65H41-V44 HydrophobicContact CB-CG2 3.66Å; H41-V44 WeakPolarHBondContact O-CG2 2.96Å; V44-I65 HydrophobicContact CG1-CB 4.04Å; V44-I65 HydrophobicContact CG1-CD1 4.34Å; V44-I65 HydrophobicContact CG1-CG2 3.99Å
45M63.5Low80.8Confident15 Ų1574.5 Ų74.57%0.07442%0.417CS..  trans-102.363-177.9-65.1177.7166.300111.5P39 G43 G47 Q50 Y54 K62 I65 L66P39-M45 HydrophobicContact CG-CE 4.42Å; P39-M45 HydrophobicContact CG-SD 4.11Å; G43-M45 PolarHBondContact O-N 3.04Å; M45-G47 PolarHBondContact O-N 2.76Å; M45-Q50 HydrophobicContact CB-CG 4.27Å; M45-Y54 HydrophobicContact CE-CD2 4.27Å; M45-Y54 HydrophobicContact CE-CE2 3.49Å; M45-Y54 VanDerWaalsContact CE-CE2 3.49Å; M45-Y54 HydrophobicContact SD-CE2 3.67Å; M45-Y54 PolarHBondContact SD-OH 3.03Å; M45-K62 HydrophobicContact CE-CD 4.16Å; M45-I65 HydrophobicContact CE-CD1 3.6Å; M45-I65 HydrophobicContact CE-CG1 4.29Å; M45-I65 HydrophobicContact CG-CD1 4.43Å; M45-L66 HydrophobicContact CE-CD2 3.73Å
46V59.3Low80.8Confident133 Ų13374.5 Ų74.581%0.80642%0.417SS*.SBendtrans-73.9118.8168.7-177.90000108.6G43G43-V46 WeakPolarHBondContact O-CG2 3.33Å
47G63.9Low80.7Confident82 Ų8278.5 Ų78.585%0.84544%0.438SS*.SBendtrans92.5-14171.800000116.8M45M45-G47 PolarHBondContact O-N 2.76Å
48M59.3Low80.7Confident134 Ų13481.1 Ų81.166%0.6645%0.45SS*.SBendtrans-99.8125.7164-70.5-175161.100107.3Q50M48-Q50 PolarHBondContact O-N 3.26Å
49G63.8Low80.7Confident68 Ų6877.3 Ų77.370%0.70144%0.436SS*.  trans-42.4118.8-17700000112.1K51 Y54G49-K51 PolarHBondContact O-N 3.05Å; G49-Y54 PolarHBondContact O-OH 3.24Å
50Q70.3Confident80.8Confident139 Ų13977.2 Ų77.265%0.6543%0.432SS*.  trans-68.3103.3-178.8-77.3-176.7-11.900108.5M45 M48M45-Q50 HydrophobicContact CB-CG 4.27Å; M48-Q50 PolarHBondContact O-N 3.26Å
51K83.7Confident81Confident99 Ų9975.9 Ų75.943%0.4344%0.441SS..  trans-93.1143.9163.8-60.5-177.5-174.4171.40107.9G49 S53 Y54 E58G49-K51 PolarHBondContact O-N 3.05Å; K51-S53 PolarHBondContact O-N 3.18Å; K51-Y54 HydrophobicContact CB-CE1 3.98Å; K51-Y54 HydrophobicContact CB-CE2 4.27Å; K51-Y54 HydrophobicContact CD-CD1 4.27Å; K51-Y54 HydrophobicContact CD-CE1 3.9Å; K51-Y54 HydrophobicContact CG-CE1 4.17Å; K51-Y54 PolarHBondContact N-OH 3.2Å; K51-E58 IonicContact NZ-OE1 3.12Å; K51-E58 IonicContact NZ-OE2 3.18Å; K51-E58 PolarHBondContact NZ-OE2 2.88Å
52D88.6Confident81.5Confident148 Ų14871.5 Ų71.579%0.79142%0.42SS*.SBendtrans-67.8-26.7175.1-65.2-32.8000112.3
53S94.5Very high82.4Confident30 Ų3062.5 Ų62.521%0.2138%0.377CS..  trans-148.2151.2179.156.70000112.6G37 K51 K85G37-S53 CarbonylContact O-C 3.59Å; G37-S53 WeakPolarHBondContact O-CA 3.34Å; K51-S53 PolarHBondContact O-N 3.18Å; S53-K85 WeakPolarHBondContact OG-CD 3.5Å
54Y96Very high83.3Confident4 Ų463.6 Ų63.62%0.01639%0.389CS..EExtended strand (participates in β ladder)trans-120.8148.6175.5-61.1-83.2000108.5V36 G37 P39 M45 G49 K51 E58 K62 L66V36-Y54 CarbonylContact C-O 3.52Å; V36-Y54 WeakPolarHBondContact CA-O 3.49Å; G37-Y54 PolarHBondContact N-O 3.32Å; G37-Y54 PolarHBondContact O-N 3.03Å; P39-Y54 HydrophobicContact CG-CE2 4.23Å; M45-Y54 HydrophobicContact CE-CD2 4.27Å; M45-Y54 HydrophobicContact CE-CE2 3.49Å; M45-Y54 VanDerWaalsContact CE-CE2 3.49Å; M45-Y54 HydrophobicContact SD-CE2 3.67Å; M45-Y54 PolarHBondContact SD-OH 3.03Å; G49-Y54 PolarHBondContact O-OH 3.24Å; K51-Y54 HydrophobicContact CB-CE1 3.98Å; K51-Y54 HydrophobicContact CB-CE2 4.27Å; K51-Y54 HydrophobicContact CD-CD1 4.27Å; K51-Y54 HydrophobicContact CD-CE1 3.9Å; K51-Y54 HydrophobicContact CG-CE1 4.17Å; K51-Y54 PolarHBondContact N-OH 3.2Å; Y54-E58 HydrophobicContact CD1-CG 3.76Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.49Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.37Å; Y54-K62 HydrophobicContact CD1-CD 4.15Å; Y54-K62 HydrophobicContact CE1-CD 4.21Å; Y54-K62 HydrophobicContact CG-CD 4.45Å; Y54-L66 HydrophobicContact CD2-CD1 3.77Å; Y54-L66 HydrophobicContact CD2-CD2 3.77Å; Y54-L66 HydrophobicContact CD2-CG 4.47Å; Y54-L66 HydrophobicContact CE2-CD2 4.14Å; Y54-L66 HydrophobicContact CG-CD1 4Å
55V98Very high84.5Confident11 Ų1163.7 Ų63.77%0.06739%0.386CS..EExtended strand (participates in β ladder)trans-129150.7-177.3-177.10000109.5F32 I35 V36 E58 A59 K85 I86 H89F32-V55 HydrophobicContact CE2-CG1 4.43Å; I35-V55 WeakPolarHBondContact O-CA 3.22Å; V36-V55 HydrophobicContact CG2-CG2 4.37Å; V55-E58 WeakPolarHBondContact O-CB 3.3Å; V55-E58 PolarHBondContact O-N 3.47Å; V55-A59 PolarHBondContact O-N 2.95Å; V55-K85 HydrophobicContact CG2-CB 4.11Å; V55-I86 HydrophobicContact CG1-CG1 3.98Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.64Å; V55-H89 HydrophobicContact CG2-CB 4.33Å
56G97.5Very high86Confident0 Ų063 Ų630%038%0.382CS..Hα-helixtrans62.2-136.7169.300000113.9P33 I35 E58 A59 Q60P33-G56 WeakPolarHBondContact O-CA 3.33Å; I35-G56 PolarHBondContact O-N 3.35Å; I35-G56 VanDerWaalsContact O-N 3.15Å; G56-E58 PolarHBondContact O-N 3.22Å; G56-A59 WeakPolarHBondContact O-CB 3.18Å; G56-A59 PolarHBondContact O-N 2.53Å; G56-Q60 PolarHBondContact O-N 3.16Å
57D97Very high87.6Confident84 Ų8459.9 Ų59.945%0.44936%0.364SS..Hα-helixtrans-62.8-29.3-178.9-67.3-42.5000112.6P33 Q60 S61P33-D57 WeakPolarHBondContact CD-OD1 3.18Å; D57-Q60 PolarHBondContact O-N 3.44Å; D57-S61 WeakPolarHBondContact O-CB 3.47Å; D57-S61 PolarHBondContact O-N 2.86Å; D57-S61 PolarHBondContact O-OG 2.73Å
58E95.2Very high89.1Confident56 Ų5657.5 Ų57.526%0.26233%0.332SS..Hα-helixtrans-65.8-40.1174.2-163.6-177.3177.500111K51 Y54 V55 G56 S61 K62K51-E58 IonicContact NZ-OE1 3.12Å; K51-E58 IonicContact NZ-OE2 3.18Å; K51-E58 PolarHBondContact NZ-OE2 2.88Å; Y54-E58 HydrophobicContact CD1-CG 3.76Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.49Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.37Å; V55-E58 WeakPolarHBondContact O-CB 3.3Å; V55-E58 PolarHBondContact O-N 3.47Å; G56-E58 PolarHBondContact O-N 3.22Å; E58-S61 PolarHBondContact O-OG 3Å; E58-S61 VanDerWaalsContact O-OG 3.05Å; E58-K62 IonicContact OE1-NZ 2.76Å; E58-K62 PolarHBondContact OE1-NZ 2.71Å
59A95.9Very high90.9Very high0 Ų056.3 Ų56.30%032%0.323CS..Hα-helixtrans-69.8-40.3173.500000111.6I35 V55 G56 K62 R63 L66 L68I35-A59 HydrophobicContact CD1-CB 3.96Å; I35-A59 HydrophobicContact CG1-CB 3.96Å; V55-A59 PolarHBondContact O-N 2.95Å; G56-A59 WeakPolarHBondContact O-CB 3.18Å; G56-A59 PolarHBondContact O-N 2.53Å; A59-K62 CarbonylContact O-C 3.48Å; A59-K62 PolarHBondContact O-N 2.8Å; A59-R63 PolarHBondContact O-N 3Å; A59-L66 HydrophobicContact CB-CD1 4.39Å; A59-L68 HydrophobicContact CB-CD2 4.04Å
60Q94.4Very high92.5Very high45 Ų4555.9 Ų55.921%0.2130%0.3CS..Hα-helixtrans-62.6-47.5-178.8-172.462.813.100111.9P33 I35 G56 D57 K62 R63 E208P33-Q60 HydrophobicContact CG-CB 4.46Å; I35-Q60 HydrophobicContact CD1-CB 4Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.28Å; G56-Q60 PolarHBondContact O-N 3.16Å; D57-Q60 PolarHBondContact O-N 3.44Å; Q60-K62 PolarHBondContact O-N 2.93Å; Q60-R63 VanDerWaalsContact O-CB 3.26Å; Q60-R63 WeakPolarHBondContact O-CB 3.31Å; Q60-R63 PolarHBondContact O-N 2.88Å; Q60-E208 VanDerWaalsContact NE2-CD 3.29Å; Q60-E208 PolarHBondContact NE2-OE2 3.41Å
61S92.8Very high93.8Very high95 Ų9549.2 Ų49.266%0.66427%0.27SS*.Hα-helixtrans-63.1-25178.557.40000113.4D57 E58D57-S61 WeakPolarHBondContact O-CB 3.47Å; D57-S61 PolarHBondContact O-N 2.86Å; D57-S61 PolarHBondContact O-OG 2.73Å; E58-S61 PolarHBondContact O-OG 3Å; E58-S61 VanDerWaalsContact O-OG 3.05Å
62K91.9Very high94.5Very high43 Ų4344.6 Ų44.619%0.18725%0.25CC..THydrogen-bonded Turntrans-102.512.8179.8-65171.8-174.7168.40113.3M45 Y54 E58 A59 Q60 G64 I65 L66M45-K62 HydrophobicContact CE-CD 4.16Å; Y54-K62 HydrophobicContact CD1-CD 4.15Å; Y54-K62 HydrophobicContact CE1-CD 4.21Å; Y54-K62 HydrophobicContact CG-CD 4.45Å; E58-K62 IonicContact OE1-NZ 2.76Å; E58-K62 PolarHBondContact OE1-NZ 2.71Å; A59-K62 CarbonylContact O-C 3.48Å; A59-K62 PolarHBondContact O-N 2.8Å; Q60-K62 PolarHBondContact O-N 2.93Å; K62-G64 PolarHBondContact O-N 2.79Å; K62-I65 HydrophobicContact CB-CG1 4.23Å; K62-I65 VanDerWaalsContact O-CG1 3.26Å; K62-I65 WeakPolarHBondContact O-CG1 3.33Å; K62-I65 PolarHBondContact O-N 3.1Å; K62-L66 HydrophobicContact CB-CD1 3.55Å; K62-L66 HydrophobicContact CB-CG 3.85Å; K62-L66 WeakPolarHBondContact O-CG 3.38Å; K62-L66 PolarHBondContact O-N 3.09Å
63R91.3Very high94.8Very high17 Ų1742.5 Ų42.56%0.06424%0.235CC..THydrogen-bonded Turntrans-48-37.2-176.3176.6176-69.6-120.9-1.6114.7A59 Q60 I65 L66 L68 Y70 T204 E208A59-R63 PolarHBondContact O-N 3Å; Q60-R63 VanDerWaalsContact O-CB 3.26Å; Q60-R63 WeakPolarHBondContact O-CB 3.31Å; Q60-R63 PolarHBondContact O-N 2.88Å; R63-I65 PolarHBondContact O-N 3.47Å; R63-L66 PolarHBondContact O-N 2.99Å; R63-L66 VanDerWaalsContact O-O 3.12Å; R63-L68 HydrophobicContact CB-CD1 3.84Å; R63-L68 HydrophobicContact CG-CD1 3.57Å; R63-L68 HydrophobicContact CG-CG 4.34Å; R63-L68 VanDerWaalsContact CZ-CD1 3.41Å; R63-Y70 PolarHBondContact NH2-OH 2.97Å; R63-T204 WeakPolarHBondContact CD-O 3.34Å; R63-T204 PolarHBondContact NH1-O 3.19Å; R63-E208 IonicContact CZ-OE1 3.61Å; R63-E208 IonicContact NH1-OE1 3Å; R63-E208 PolarHBondContact NH1-OE1 2.94Å; R63-E208 IonicContact NH2-OE1 3.53Å; R63-E208 PolarHBondContact NH2-OE1 2.93Å
64G88.3Confident94.9Very high64 Ų6443.9 Ų43.966%0.6624%0.238SC*.THydrogen-bonded Turntrans-62.7-25.8-178.800000114.5K62K62-G64 PolarHBondContact O-N 2.79Å
65I90.4Very high94.8Very high70 Ų7044.2 Ų44.236%0.35924%0.243SC..THydrogen-bonded Turntrans-115.2-2.4-178.360.2171.1000113.4R40 V44 M45 K62 R63R40-I65 PolarHBondContact N-O 2.9Å; R40-I65 VanDerWaalsContact N-O 3.12Å; V44-I65 HydrophobicContact CG1-CB 4.04Å; V44-I65 HydrophobicContact CG1-CD1 4.34Å; V44-I65 HydrophobicContact CG1-CG2 3.99Å; M45-I65 HydrophobicContact CE-CD1 3.6Å; M45-I65 HydrophobicContact CE-CG1 4.29Å; M45-I65 HydrophobicContact CG-CD1 4.43Å; K62-I65 HydrophobicContact CB-CG1 4.23Å; K62-I65 VanDerWaalsContact O-CG1 3.26Å; K62-I65 WeakPolarHBondContact O-CG1 3.33Å; K62-I65 PolarHBondContact O-N 3.1Å; R63-I65 PolarHBondContact O-N 3.47Å
66L93.1Very high94.8Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-108.5150.6179.3-60-176.3000111.5R38 P39 R40 M45 Y54 A59 K62 R63 L68R38-L66 CarbonylContact O-C 3.5Å; R38-L66 WeakPolarHBondContact O-CA 3.36Å; P39-L66 HydrophobicContact CB-CD2 4.41Å; P39-L66 HydrophobicContact CG-CD2 4.13Å; R40-L66 PolarHBondContact NE-O 2.79Å; R40-L66 PolarHBondContact NH2-O 2.78Å; M45-L66 HydrophobicContact CE-CD2 3.73Å; Y54-L66 HydrophobicContact CD2-CD1 3.77Å; Y54-L66 HydrophobicContact CD2-CD2 3.77Å; Y54-L66 HydrophobicContact CD2-CG 4.47Å; Y54-L66 HydrophobicContact CE2-CD2 4.14Å; Y54-L66 HydrophobicContact CG-CD1 4Å; A59-L66 HydrophobicContact CB-CD1 4.39Å; K62-L66 HydrophobicContact CB-CD1 3.55Å; K62-L66 HydrophobicContact CB-CG 3.85Å; K62-L66 WeakPolarHBondContact O-CG 3.38Å; K62-L66 PolarHBondContact O-N 3.09Å; R63-L66 PolarHBondContact O-N 2.99Å; R63-L66 VanDerWaalsContact O-O 3.12Å; L66-L68 HydrophobicContact CB-CD2 3.88Å; L66-L68 HydrophobicContact CD1-CD2 4.35Å
67T94.1Very high94.8Very high68 Ų6845.8 Ų45.842%0.41725%0.251SS..EExtended strand (participates in β ladder)trans-88.9114158.1-61.30000107.1G37 R38 R40G37-T67 WeakPolarHBondContact CA-O 3.32Å; R38-T67 PolarHBondContact N-O 3.18Å; R38-T67 PolarHBondContact O-N 2.82Å; R40-T67 WeakPolarHBondContact CG-OG1 3.33Å
68L95.4Very high94.9Very high33 Ų3345.3 Ų45.317%0.17325%0.251CS..EExtended strand (participates in β ladder)trans-91.3137.4179.3-57.2-175.1000110.5I35 A59 R63 L66I35-L68 HydrophobicContact CD1-CD1 4.16Å; I35-L68 HydrophobicContact CD1-CD2 4.5Å; A59-L68 HydrophobicContact CB-CD2 4.04Å; R63-L68 HydrophobicContact CB-CD1 3.84Å; R63-L68 HydrophobicContact CG-CD1 3.57Å; R63-L68 HydrophobicContact CG-CG 4.34Å; R63-L68 VanDerWaalsContact CZ-CD1 3.41Å; L66-L68 HydrophobicContact CB-CD2 3.88Å; L66-L68 HydrophobicContact CD1-CD2 4.35Å
69K97Very high95Very high108 Ų10845 Ų4547%0.4725%0.252SS..EExtended strand (participates in β ladder)trans-127.4148.7173.5-68.3-169.2174.4-172.70110.2I35 V36I35-K69 WeakPolarHBondContact CA-O 3.26Å; V36-K69 PolarHBondContact N-O 3.2Å; V36-K69 PolarHBondContact O-N 3.32Å
70Y97Very high95.1Very high59 Ų5947.2 Ų47.223%0.23126%0.26CS..  trans-109.8112.1176.3-63.4-98.7000107.3I35 R63 I72 R184I35-Y70 HydrophobicContact CG2-CD1 3.47Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.47Å; I35-Y70 HydrophobicContact CG2-CE1 3.2Å; I35-Y70 HydrophobicContact CG2-CE2 4.28Å; I35-Y70 HydrophobicContact CG2-CG 4.14Å; R63-Y70 PolarHBondContact NH2-OH 2.97Å; Y70-I72 PolarHBondContact O-N 3.43Å; Y70-R184 VanDerWaalsContact CD1-NH2 3.31Å
71P97.9Very high95.3Very high0 Ų050.2 Ų50.20%028%0.278CS..SBendtrans-74.5-8.6179.927.7-32000113.6S34 V77 T78 N79 D82 M83 I86S34-P71 WeakPolarHBondContact O-CD 3.07Å; P71-V77 CarbonylContact O-C 3.56Å; P71-V77 WeakPolarHBondContact O-CA 3.44Å; P71-T78 PolarHBondContact O-N 3.32Å; P71-T78 PolarHBondContact O-OG1 3.32Å; P71-N79 HydrophobicContact CB-CB 4.12Å; P71-N79 WeakPolarHBondContact CB-O 3.29Å; P71-N79 PolarHBondContact O-N 3.29Å; P71-D82 HydrophobicContact CB-CB 3.79Å; P71-D82 HydrophobicContact CG-CB 4.23Å; P71-M83 HydrophobicContact CB-CB 4.42Å; P71-M83 HydrophobicContact CG-SD 4.37Å; P71-I86 HydrophobicContact CG-CD1 3.29Å; P71-I86 HydrophobicContact CG-CG1 4.31Å
72I97.9Very high95.5Very high2 Ų245.8 Ų45.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-118.5119.7176.9-53.6172.9000108.7N13 S15 Y70 I76 V77 M83N13-I72 HydrophobicContact CB-CD1 4.19Å; S15-I72 WeakPolarHBondContact OG-CG2 3.34Å; Y70-I72 PolarHBondContact O-N 3.43Å; I72-I76 CarbonylContact C-O 3.56Å; I72-I76 VanDerWaalsContact CA-O 3.31Å; I72-I76 WeakPolarHBondContact CA-O 3.33Å; I72-V77 HydrophobicContact CG1-CG2 4.16Å; I72-M83 HydrophobicContact CD1-CE 4.05Å; I72-M83 HydrophobicContact CD1-SD 3.78Å; I72-M83 HydrophobicContact CG1-SD 3.82Å
73E95.8Very high95.9Very high103 Ų10343.8 Ų43.848%0.48124%0.238SC..EExtended strand (participates in β ladder)trans-116.6125.1176-67.2174.5-144.600109.3G75 I76 T78E73-G75 PolarHBondContact O-N 3.48Å; E73-G75 VanDerWaalsContact O-N 3.15Å; E73-I76 PolarHBondContact N-O 2.91Å; E73-I76 PolarHBondContact O-N 3.09Å; E73-T78 HydrophobicContact CB-CG2 3.91Å; E73-T78 HydrophobicContact CG-CG2 4.18Å; E73-T78 PolarHBondContact OE1-OG1 3.41Å
74H95.4Very high96.2Very high59 Ų5945.2 Ų45.227%0.27325%0.245SC..THydrogen-bonded Turntrans46.146.9-178.9-51.6163.9000113.6I76 G159 V160 R178 D180H74-I76 VanDerWaalsContact C-N 3.28Å; H74-I76 PolarHBondContact O-N 2.85Å; H74-G159 WeakPolarHBondContact CA-O 3.28Å; H74-G159 PolarHBondContact CD2-O 3.11Å; H74-V160 HydrophobicContact CB-CB 4.21Å; H74-R178 PolarHBondContact O-NH1 3.49Å; H74-R178 PolarHBondContact O-NH2 3.06Å; H74-D180 IonicContact CE1-OD2 2.73Å; H74-D180 IonicContact CG-OD2 3.54Å; H74-D180 IonicContact ND1-OD2 3.24Å; H74-D180 PolarHBondContact ND1-OD2 3.09Å
75G95.1Very high96.7Very high12 Ų1244.9 Ų44.912%0.12423%0.226CC..THydrogen-bonded Turntrans78.3-2.9-179.400000116S15 E73S15-G75 WeakPolarHBondContact OG-CA 3.35Å; S15-G75 PolarHBondContact OG-N 2.81Å; E73-G75 PolarHBondContact O-N 3.48Å; E73-G75 VanDerWaalsContact O-N 3.15Å
76I97.3Very high97.1Very high28 Ų2841.6 Ų41.614%0.14421%0.208CC..EExtended strand (participates in β ladder)trans-109.9130.6-176.4-54.5-55.3000110.3I72 E73 H74 T78 N116I72-I76 CarbonylContact C-O 3.56Å; I72-I76 VanDerWaalsContact CA-O 3.31Å; I72-I76 WeakPolarHBondContact CA-O 3.33Å; E73-I76 PolarHBondContact N-O 2.91Å; E73-I76 PolarHBondContact O-N 3.09Å; H74-I76 VanDerWaalsContact C-N 3.28Å; H74-I76 PolarHBondContact O-N 2.85Å; I76-T78 PolarHBondContact O-N 3.06Å; I76-N116 WeakPolarHBondContact CG2-ND2 3.37Å
77V98.3Very high97.3Very high16 Ų1641.6 Ų41.610%0.09721%0.208CC..EExtended strand (participates in β ladder)trans-67.3118.6171.4-176.60000109.3P71 I72 W80 M83 N116P71-V77 CarbonylContact O-C 3.56Å; P71-V77 WeakPolarHBondContact O-CA 3.44Å; I72-V77 HydrophobicContact CG1-CG2 4.16Å; V77-W80 HydrophobicContact CB-CH2 3.94Å; V77-W80 HydrophobicContact CB-CZ2 3.87Å; V77-W80 HydrophobicContact CB-CZ3 4.34Å; V77-W80 HydrophobicContact CG1-CD2 3.77Å; V77-W80 HydrophobicContact CG1-CE3 3.85Å; V77-W80 HydrophobicContact CG1-CG 4.36Å; V77-W80 HydrophobicContact CG1-CH2 4.03Å; V77-W80 HydrophobicContact CG1-CZ2 3.95Å; V77-W80 HydrophobicContact CG1-CZ3 3.99Å; V77-W80 HydrophobicContact CG2-CH2 4.06Å; V77-W80 HydrophobicContact CG2-CZ2 4.48Å; V77-W80 HydrophobicContact CG2-CZ3 4.33Å; V77-M83 HydrophobicContact CG1-CB 3.86Å; V77-M83 HydrophobicContact CG1-CG 4.06Å; V77-M83 HydrophobicContact CG2-CG 4.22Å; V77-M83 HydrophobicContact CG2-SD 4.2Å; V77-N116 PolarHBondContact O-ND2 3.45Å; V77-N116 VanDerWaalsContact O-ND2 3.1Å
78T97.5Very high97.5Very high74 Ų7442.9 Ų42.945%0.45421%0.209SC..  trans-107-17.3177.658.50000112.7P71 E73 I76P71-T78 PolarHBondContact O-N 3.32Å; P71-T78 PolarHBondContact O-OG1 3.32Å; E73-T78 HydrophobicContact CB-CG2 3.91Å; E73-T78 HydrophobicContact CG-CG2 4.18Å; E73-T78 PolarHBondContact OE1-OG1 3.41Å; I76-T78 PolarHBondContact O-N 3.06Å
79N98.2Very high97.7Very high50 Ų5042 Ų4227%0.26721%0.205SC..  trans-135.7102.5177.8-169.8-51000111.6P71 D81 D82 M83P71-N79 HydrophobicContact CB-CB 4.12Å; P71-N79 WeakPolarHBondContact CB-O 3.29Å; P71-N79 PolarHBondContact O-N 3.29Å; N79-D81 PolarHBondContact OD1-N 3.29Å; N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 PolarHBondContact O-N 3.45Å; N79-D82 WeakPolarHBondContact OD1-CB 3.22Å; N79-D82 PolarHBondContact OD1-N 3.48Å; N79-M83 WeakPolarHBondContact O-CB 3.32Å; N79-M83 PolarHBondContact O-N 3.23Å
80W98.2Very high97.8Very high45 Ų4536.9 Ų36.917%0.1718%0.182CC..Hα-helixtrans-69.7-38.1-178-70.4103.5000113.4V77 D82 M83 E84 W87 N116 K119 M120 I123V77-W80 HydrophobicContact CB-CH2 3.94Å; V77-W80 HydrophobicContact CB-CZ2 3.87Å; V77-W80 HydrophobicContact CB-CZ3 4.34Å; V77-W80 HydrophobicContact CG1-CD2 3.77Å; V77-W80 HydrophobicContact CG1-CE3 3.85Å; V77-W80 HydrophobicContact CG1-CG 4.36Å; V77-W80 HydrophobicContact CG1-CH2 4.03Å; V77-W80 HydrophobicContact CG1-CZ2 3.95Å; V77-W80 HydrophobicContact CG1-CZ3 3.99Å; V77-W80 HydrophobicContact CG2-CH2 4.06Å; V77-W80 HydrophobicContact CG2-CZ2 4.48Å; V77-W80 HydrophobicContact CG2-CZ3 4.33Å; W80-D82 PolarHBondContact O-N 2.87Å; W80-M83 HydrophobicContact CE3-CB 4.41Å; W80-M83 PolarHBondContact O-N 2.93Å; W80-M83 VanDerWaalsContact O-N 3.14Å; W80-E84 WeakPolarHBondContact O-CG 3.41Å; W80-E84 PolarHBondContact O-N 2.97Å; W80-W87 AromaticContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CZ3 4.22Å; W80-N116 HydrophobicContact CH2-CB 4.33Å; W80-N116 WeakPolarHBondContact CH2-O 3.39Å; W80-N116 HydrophobicContact CZ2-CB 3.81Å; W80-K119 HydrophobicContact CD2-CB 4.17Å; W80-K119 HydrophobicContact CD2-CG 3.36Å; W80-K119 VanDerWaalsContact CE2-CG 3.43Å; W80-K119 HydrophobicContact CE3-CB 4.43Å; W80-K119 HydrophobicContact CE3-CG 3.73Å; W80-K119 HydrophobicContact CG-CG 3.78Å; W80-K119 HydrophobicContact CH2-CB 4Å; W80-K119 HydrophobicContact CH2-CG 4.2Å; W80-K119 HydrophobicContact CZ2-CB 3.7Å; W80-K119 HydrophobicContact CZ2-CG 3.87Å; W80-K119 HydrophobicContact CZ3-CB 4.35Å; W80-K119 HydrophobicContact CZ3-CG 4.12Å; W80-M120 HydrophobicContact CH2-CB 4.45Å; W80-M120 HydrophobicContact CH2-CG 3.47Å; W80-M120 VanDerWaalsContact CH2-CG 3.47Å; W80-M120 HydrophobicContact CZ3-CG 3.73Å; W80-I123 HydrophobicContact CD2-CD1 4.22Å; W80-I123 HydrophobicContact CE3-CD1 3.43Å; W80-I123 VanDerWaalsContact CE3-CD1 3.43Å; W80-I123 HydrophobicContact CZ3-CD1 4.02Å
81D98Very high97.8Very high109 Ų10934 Ų3458%0.58317%0.171SC*.Hα-helixtrans-61.2-35.1177.8-61.2-14.6000112.1N79 K85N79-D81 PolarHBondContact OD1-N 3.29Å; D81-K85 WeakPolarHBondContact O-CG 3.44Å; D81-K85 PolarHBondContact O-NZ 3.33Å
82D98.4Very high97.8Very high1 Ų138.6 Ų38.61%0.00519%0.189CC..Hα-helixtrans-83.2-30.8177-77.3-6.2000111.8V36 R38 P71 N79 W80 K85 I86V36-D82 HydrophobicContact CB-CB 4.21Å; V36-D82 HydrophobicContact CG2-CB 3.75Å; R38-D82 IonicContact CZ-OD1 3.43Å; R38-D82 VanDerWaalsContact CZ-OD1 3.32Å; R38-D82 IonicContact CZ-OD2 2.81Å; R38-D82 IonicContact NH1-OD1 3.62Å; R38-D82 PolarHBondContact NH1-OD1 3.27Å; R38-D82 IonicContact NH1-OD2 3.47Å; R38-D82 PolarHBondContact NH1-OD2 2.98Å; R38-D82 IonicContact NH2-OD1 3.93Å; R38-D82 PolarHBondContact NH2-OD1 3.2Å; R38-D82 IonicContact NH2-OD2 2.85Å; P71-D82 HydrophobicContact CB-CB 3.79Å; P71-D82 HydrophobicContact CG-CB 4.23Å; N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 PolarHBondContact O-N 3.45Å; N79-D82 WeakPolarHBondContact OD1-CB 3.22Å; N79-D82 PolarHBondContact OD1-N 3.48Å; W80-D82 PolarHBondContact O-N 2.87Å; D82-K85 PolarHBondContact O-N 3.5Å; D82-K85 IonicContact OD1-NZ 2.73Å; D82-K85 PolarHBondContact OD1-NZ 2.94Å; D82-I86 PolarHBondContact O-N 2.84Å; D82-I86 VanDerWaalsContact O-N 3.07Å
83M98.5Very high97.8Very high1 Ų141.9 Ų41.91%0.00521%0.207CC..Hα-helixtrans-64.6-41.6171.1-16466.2-151.900112.1N13 P71 I72 V77 N79 W80 K85 I86 W87N13-M83 HydrophobicContact CB-CE 4.29Å; N13-M83 VanDerWaalsContact OD1-CE 3.22Å; N13-M83 WeakPolarHBondContact OD1-CE 3.34Å; P71-M83 HydrophobicContact CB-CB 4.42Å; P71-M83 HydrophobicContact CG-SD 4.37Å; I72-M83 HydrophobicContact CD1-CE 4.05Å; I72-M83 HydrophobicContact CD1-SD 3.78Å; I72-M83 HydrophobicContact CG1-SD 3.82Å; V77-M83 HydrophobicContact CG1-CB 3.86Å; V77-M83 HydrophobicContact CG1-CG 4.06Å; V77-M83 HydrophobicContact CG2-CG 4.22Å; V77-M83 HydrophobicContact CG2-SD 4.2Å; N79-M83 WeakPolarHBondContact O-CB 3.32Å; N79-M83 PolarHBondContact O-N 3.23Å; W80-M83 HydrophobicContact CE3-CB 4.41Å; W80-M83 PolarHBondContact O-N 2.93Å; W80-M83 VanDerWaalsContact O-N 3.14Å; M83-K85 VanDerWaalsContact C-N 3.28Å; M83-K85 PolarHBondContact O-N 2.92Å; M83-I86 HydrophobicContact CE-CG2 4.2Å; M83-I86 WeakPolarHBondContact O-CA 3.44Å; M83-I86 WeakPolarHBondContact O-CB 3.37Å; M83-I86 PolarHBondContact O-N 2.92Å; M83-I86 VanDerWaalsContact O-N 3.07Å; M83-I86 HydrophobicContact SD-CD1 4.5Å; M83-W87 HydrophobicContact CE-CD2 4.15Å; M83-W87 VanDerWaalsContact CE-CE2 3.4Å; M83-W87 HydrophobicContact CE-CG 4.4Å; M83-W87 HydrophobicContact CE-CZ2 3.79Å; M83-W87 HydrophobicContact CG-CD2 4.13Å; M83-W87 HydrophobicContact CG-CE3 4.2Å; M83-W87 HydrophobicContact CG-CH2 4.02Å; M83-W87 HydrophobicContact CG-CZ2 3.86Å; M83-W87 HydrophobicContact CG-CZ3 4.16Å; M83-W87 PolarHBondContact O-N 3.44Å
84E98.3Very high97.9Very high47 Ų4740.3 Ų40.322%0.2220%0.199CC..Hα-helixtrans-59.1-38.9174-76.8-175.2-13500111.8W80 W87 H88 I123W80-E84 WeakPolarHBondContact O-CG 3.41Å; W80-E84 PolarHBondContact O-N 2.97Å; E84-W87 PolarHBondContact O-N 3.44Å; E84-H88 WeakPolarHBondContact O-CB 3.47Å; E84-H88 PolarHBondContact O-N 3.16Å; E84-I123 HydrophobicContact CG-CD1 3.83Å; E84-I123 HydrophobicContact CG-CG1 4.23Å; E84-I123 HydrophobicContact CG-CG2 3.73Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.45Å
85K98.3Very high98.1Very high58 Ų5838.4 Ų38.425%0.25219%0.191SC..Hα-helixtrans-65.8-38173.7-67.9179.9-162.275.90112.5V36 S53 V55 D81 D82 M83 H89V36-K85 HydrophobicContact CG1-CD 4.08Å; V36-K85 HydrophobicContact CG2-CB 4.39Å; S53-K85 WeakPolarHBondContact OG-CD 3.5Å; V55-K85 HydrophobicContact CG2-CB 4.11Å; D81-K85 WeakPolarHBondContact O-CG 3.44Å; D81-K85 PolarHBondContact O-NZ 3.33Å; D82-K85 PolarHBondContact O-N 3.5Å; D82-K85 IonicContact OD1-NZ 2.73Å; D82-K85 PolarHBondContact OD1-NZ 2.94Å; M83-K85 VanDerWaalsContact C-N 3.28Å; M83-K85 PolarHBondContact O-N 2.92Å; K85-H89 WeakPolarHBondContact O-CB 3.37Å; K85-H89 PolarHBondContact O-N 3.3Å
86I98.6Very high98.2Very high0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-61.2-49.9174-72-179.2000110.1C18 F32 V36 V55 P71 D82 M83 H88 H89 T90C18-I86 HydrophobicContact CB-CG2 4.44Å; F32-I86 HydrophobicContact CE2-CG2 4.13Å; F32-I86 HydrophobicContact CZ-CG2 4.21Å; V36-I86 HydrophobicContact CG2-CG1 4.11Å; V55-I86 HydrophobicContact CG1-CG1 3.98Å; P71-I86 HydrophobicContact CG-CD1 3.29Å; P71-I86 HydrophobicContact CG-CG1 4.31Å; D82-I86 PolarHBondContact O-N 2.84Å; D82-I86 VanDerWaalsContact O-N 3.07Å; M83-I86 HydrophobicContact CE-CG2 4.2Å; M83-I86 WeakPolarHBondContact O-CA 3.44Å; M83-I86 WeakPolarHBondContact O-CB 3.37Å; M83-I86 PolarHBondContact O-N 2.92Å; M83-I86 VanDerWaalsContact O-N 3.07Å; M83-I86 HydrophobicContact SD-CD1 4.5Å; I86-H88 PolarHBondContact O-N 3.02Å; I86-H89 WeakPolarHBondContact O-CB 3.43Å; I86-H89 PolarHBondContact O-N 3.34Å; I86-T90 PolarHBondContact O-N 2.93Å; I86-T90 PolarHBondContact O-OG1 3.49Å
87W98.7Very high98.2Very high0 Ų047.5 Ų47.50%022%0.222CC..Hα-helixtrans-65.2-40.4179.3-68-35.1000113.1N13 W80 M83 E84 H89 T90 F91 L106 M120 I123 M124 F128N13-W87 PolarHBondContact OD1-NE1 3.08Å; W80-W87 AromaticContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CZ3 4.22Å; M83-W87 HydrophobicContact CE-CD2 4.15Å; M83-W87 VanDerWaalsContact CE-CE2 3.4Å; M83-W87 HydrophobicContact CE-CG 4.4Å; M83-W87 HydrophobicContact CE-CZ2 3.79Å; M83-W87 HydrophobicContact CG-CD2 4.13Å; M83-W87 HydrophobicContact CG-CE3 4.2Å; M83-W87 HydrophobicContact CG-CH2 4.02Å; M83-W87 HydrophobicContact CG-CZ2 3.86Å; M83-W87 HydrophobicContact CG-CZ3 4.16Å; M83-W87 PolarHBondContact O-N 3.44Å; E84-W87 PolarHBondContact O-N 3.44Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 3.48Å; W87-T90 WeakPolarHBondContact O-CB 3.45Å; W87-T90 PolarHBondContact O-N 3.2Å; W87-T90 VanDerWaalsContact O-N 3.15Å; W87-F91 HydrophobicContact CB-CD2 4.47Å; W87-F91 HydrophobicContact CB-CE2 4.15Å; W87-F91 WeakPolarHBondContact O-CD2 3.28Å; W87-F91 PolarHBondContact O-N 3.35Å; W87-L106 HydrophobicContact CZ2-CD2 3.85Å; W87-M120 HydrophobicContact CH2-CB 4.14Å; W87-M120 HydrophobicContact CH2-CG 3.86Å; W87-M120 HydrophobicContact CZ2-CG 4.32Å; W87-M120 HydrophobicContact CZ2-SD 4.43Å; W87-I123 HydrophobicContact CE3-CG2 3.82Å; W87-I123 HydrophobicContact CZ3-CB 4.05Å; W87-I123 HydrophobicContact CZ3-CD1 3.96Å; W87-I123 HydrophobicContact CZ3-CG2 3.63Å; W87-M124 HydrophobicContact CB-CE 4.32Å; W87-M124 HydrophobicContact CD2-CE 3.32Å; W87-M124 HydrophobicContact CE3-CE 3.4Å; W87-M124 VanDerWaalsContact CE3-CE 3.4Å; W87-M124 HydrophobicContact CG-CE 3.78Å; W87-M124 HydrophobicContact CH2-CE 3.91Å; W87-M124 HydrophobicContact CZ2-CE 3.92Å; W87-M124 HydrophobicContact CZ3-CE 3.7Å; W87-F128 HydrophobicContact CB-CE2 3.78Å; W87-F128 HydrophobicContact CB-CZ 3.73Å; W87-F128 HydrophobicContact CE3-CE2 4.04Å
88H98.4Very high98.2Very high95 Ų9547.9 Ų47.944%0.4423%0.227SC..Hα-helixtrans-57.2-44.8172-176.5-67.9000111.1E84 I86 F91 Y92 F128E84-H88 WeakPolarHBondContact O-CB 3.47Å; E84-H88 PolarHBondContact O-N 3.16Å; I86-H88 PolarHBondContact O-N 3.02Å; H88-F91 PolarHBondContact O-N 2.82Å; H88-Y92 HydrophobicContact CB-CD2 4.44Å; H88-Y92 AromaticContact CD2-CD2 3.59Å; H88-Y92 AromaticContact CD2-CE2 3.61Å; H88-Y92 AromaticContact CE1-CD2 3.46Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.1Å; H88-Y92 AromaticContact CG-CD2 3.66Å; H88-Y92 AromaticContact ND1-CD2 3.59Å; H88-Y92 AromaticContact NE2-CD2 3.49Å; H88-Y92 WeakPolarHBondContact NE2-CD2 3.44Å; H88-Y92 AromaticContact NE2-CE2 3.71Å; H88-Y92 WeakPolarHBondContact O-CB 3.33Å; H88-Y92 VanDerWaalsContact O-CD2 3.23Å; H88-Y92 WeakPolarHBondContact O-CD2 3.23Å; H88-Y92 PolarHBondContact O-N 3.24Å; H88-F128 HydrophobicContact CB-CE1 4.12Å; H88-F128 HydrophobicContact CB-CZ 4.24Å
89H98.4Very high98.2Very high15 Ų1544.3 Ų44.37%0.06921%0.205CC..Hα-helixtrans-62.5-43.6175-176.970000112F32 V55 K85 I86 W87 F91 N93 E94F32-H89 AromaticContact CE2-CD2 3.74Å; F32-H89 AromaticContact CZ-CD2 3.96Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.64Å; V55-H89 HydrophobicContact CG2-CB 4.33Å; K85-H89 WeakPolarHBondContact O-CB 3.37Å; K85-H89 PolarHBondContact O-N 3.3Å; I86-H89 WeakPolarHBondContact O-CB 3.43Å; I86-H89 PolarHBondContact O-N 3.34Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 3.48Å; H89-F91 PolarHBondContact O-N 3.47Å; H89-N93 WeakPolarHBondContact ND1-CB 3.35Å; H89-N93 PolarHBondContact ND1-OD1 2.72Å; H89-N93 WeakPolarHBondContact O-CA 3.48Å; H89-N93 VanDerWaalsContact O-CB 3.28Å; H89-N93 WeakPolarHBondContact O-CB 3.42Å; H89-N93 PolarHBondContact O-N 3.01Å; H89-E94 IonicContact CE1-OE1 3.32Å; H89-E94 IonicContact NE2-OE1 3.8Å; H89-E94 PolarHBondContact NE2-OE1 3.41Å; H89-E94 PolarHBondContact O-N 2.89Å; H89-E94 VanDerWaalsContact O-N 3.09Å
90T98.6Very high98.2Very high0 Ų046.7 Ų46.70%021%0.214CC..Iπ-helixtrans-54.7-52.5175-56.50000111.8I11 A20 F32 I86 W87 L95I11-T90 HydrophobicContact CD1-CG2 4.01Å; I11-T90 HydrophobicContact CG1-CG2 4.22Å; A20-T90 HydrophobicContact CB-CG2 3.3Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.49Å; I86-T90 PolarHBondContact O-N 2.93Å; I86-T90 PolarHBondContact O-OG1 3.49Å; W87-T90 WeakPolarHBondContact O-CB 3.45Å; W87-T90 PolarHBondContact O-N 3.2Å; W87-T90 VanDerWaalsContact O-N 3.15Å; T90-L95 HydrophobicContact CG2-CD1 4.11Å; T90-L95 HydrophobicContact CG2-CG 4.41Å; T90-L95 WeakPolarHBondContact O-CB 3.34Å; T90-L95 WeakPolarHBondContact O-CG 3.46Å; T90-L95 PolarHBondContact O-N 3.13Å
91F98.6Very high98.2Very high0 Ų050.5 Ų50.50%023%0.234CC..Iπ-helixtrans-69.8-52.4-176.1-65.3-55.9000112.1L9 I11 W87 H88 H89 R96 V97 P99 V104 M124 F128L9-F91 HydrophobicContact CD1-CD1 3.79Å; L9-F91 HydrophobicContact CD1-CE1 3.68Å; I11-F91 HydrophobicContact CD1-CD1 4.47Å; I11-F91 HydrophobicContact CD1-CE1 3.6Å; I11-F91 HydrophobicContact CD1-CE2 4.43Å; I11-F91 HydrophobicContact CD1-CZ 3.57Å; W87-F91 HydrophobicContact CB-CD2 4.47Å; W87-F91 HydrophobicContact CB-CE2 4.15Å; W87-F91 WeakPolarHBondContact O-CD2 3.28Å; W87-F91 PolarHBondContact O-N 3.35Å; H88-F91 PolarHBondContact O-N 2.82Å; H89-F91 PolarHBondContact O-N 3.47Å; F91-R96 WeakPolarHBondContact O-CA 3.44Å; F91-R96 PolarHBondContact O-N 3.41Å; F91-V97 HydrophobicContact CD1-CG2 4.35Å; F91-V97 PolarHBondContact O-N 3.22Å; F91-P99 HydrophobicContact CB-CG 4.38Å; F91-P99 HydrophobicContact CD1-CB 3.93Å; F91-P99 HydrophobicContact CD2-CB 3.95Å; F91-P99 HydrophobicContact CD2-CG 4.12Å; F91-P99 HydrophobicContact CE1-CB 4.03Å; F91-P99 HydrophobicContact CE2-CB 4.06Å; F91-P99 HydrophobicContact CG-CB 3.9Å; F91-P99 HydrophobicContact CG-CG 4.16Å; F91-P99 HydrophobicContact CZ-CB 4.1Å; F91-V104 HydrophobicContact CE1-CG1 4.48Å; F91-V104 HydrophobicContact CE1-CG2 4.03Å; F91-V104 HydrophobicContact CZ-CG1 4.26Å; F91-V104 HydrophobicContact CZ-CG2 4.09Å; F91-M124 HydrophobicContact CE2-CE 4.44Å; F91-M124 HydrophobicContact CE2-SD 4.38Å; F91-M124 HydrophobicContact CZ-SD 4.19Å; F91-F128 AromaticContact CD2-CD1 3.76Å; F91-F128 HydrophobicContact CD2-CD1 3.76Å; F91-F128 AromaticContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CG 4.24Å; F91-F128 HydrophobicContact CD2-CZ 4.44Å; F91-F128 HydrophobicContact CE2-CB 4.39Å; F91-F128 AromaticContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD2 4.16Å; F91-F128 HydrophobicContact CE2-CE1 4.2Å; F91-F128 HydrophobicContact CE2-CE2 4.44Å; F91-F128 AromaticContact CE2-CG 3.88Å; F91-F128 HydrophobicContact CE2-CG 3.88Å; F91-F128 HydrophobicContact CE2-CZ 4.46Å
92Y98.2Very high98.2Very high95 Ų9546.4 Ų46.437%0.37321%0.212SC..Iπ-helixtrans-93-27.3-166.2-61-70.3000114.5H88 P99 F128H88-Y92 HydrophobicContact CB-CD2 4.44Å; H88-Y92 AromaticContact CD2-CD2 3.59Å; H88-Y92 AromaticContact CD2-CE2 3.61Å; H88-Y92 AromaticContact CE1-CD2 3.46Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.1Å; H88-Y92 AromaticContact CG-CD2 3.66Å; H88-Y92 AromaticContact ND1-CD2 3.59Å; H88-Y92 AromaticContact NE2-CD2 3.49Å; H88-Y92 WeakPolarHBondContact NE2-CD2 3.44Å; H88-Y92 AromaticContact NE2-CE2 3.71Å; H88-Y92 WeakPolarHBondContact O-CB 3.33Å; H88-Y92 VanDerWaalsContact O-CD2 3.23Å; H88-Y92 WeakPolarHBondContact O-CD2 3.23Å; H88-Y92 PolarHBondContact O-N 3.24Å; Y92-P99 WeakPolarHBondContact OH-CD 3.37Å; Y92-F128 HydrophobicContact CE2-CE1 4.45Å
93N97.4Very high98.1Very high72 Ų7247.4 Ų47.439%0.38522%0.218SC..Iπ-helixtrans-98.6-50.9-178.8-6596.5000112.1H89 R96H89-N93 WeakPolarHBondContact ND1-CB 3.35Å; H89-N93 PolarHBondContact ND1-OD1 2.72Å; H89-N93 WeakPolarHBondContact O-CA 3.48Å; H89-N93 VanDerWaalsContact O-CB 3.28Å; H89-N93 WeakPolarHBondContact O-CB 3.42Å; H89-N93 PolarHBondContact O-N 3.01Å; N93-R96 WeakPolarHBondContact O-CG 3.42Å; N93-R96 PolarHBondContact O-NE 2.88Å
94E98.1Very high98.1Very high70 Ų7047.4 Ų47.433%0.32722%0.218SC..Iπ-helixtrans-81-55.9-172.6-64.4-58.6127.100111.6A30 F32 H89A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.19Å; F32-E94 HydrophobicContact CD1-CG 3.78Å; F32-E94 HydrophobicContact CE1-CB 4.49Å; F32-E94 HydrophobicContact CE1-CG 3.78Å; H89-E94 IonicContact CE1-OE1 3.32Å; H89-E94 IonicContact NE2-OE1 3.8Å; H89-E94 PolarHBondContact NE2-OE1 3.41Å; H89-E94 PolarHBondContact O-N 2.89Å; H89-E94 VanDerWaalsContact O-N 3.09Å
95L98Very high98.1Very high18 Ų1845.1 Ų45.19%0.09421%0.208CC..Iπ-helixtrans-84.4-27.8179.7-62-179.2000113.2L9 A20 R29 T90 V97L9-L95 HydrophobicContact CD1-CD1 4.28Å; L9-L95 HydrophobicContact CD2-CD1 4.03Å; A20-L95 HydrophobicContact CB-CD1 4.05Å; A20-L95 HydrophobicContact CB-CD2 4.27Å; A20-L95 HydrophobicContact CB-CG 4.27Å; R29-L95 HydrophobicContact CB-CD2 4.04Å; T90-L95 HydrophobicContact CG2-CD1 4.11Å; T90-L95 HydrophobicContact CG2-CG 4.41Å; T90-L95 WeakPolarHBondContact O-CB 3.34Å; T90-L95 WeakPolarHBondContact O-CG 3.46Å; T90-L95 PolarHBondContact O-N 3.13Å; L95-V97 HydrophobicContact CB-CG1 4.36Å; L95-V97 HydrophobicContact CB-CG2 3.84Å; L95-V97 HydrophobicContact CD1-CG2 4.46Å
96R98.1Very high98.2Very high210 Ų21042.4 Ų42.479%0.79220%0.196SC*.  trans56.747.6-177.9-53.2-179.5-177-173.41.6112.9F91 N93F91-R96 WeakPolarHBondContact O-CA 3.44Å; F91-R96 PolarHBondContact O-N 3.41Å; N93-R96 WeakPolarHBondContact O-CG 3.42Å; N93-R96 PolarHBondContact O-NE 2.88Å
97V98Very high98.1Very high21 Ų2142.4 Ų42.413%0.12720%0.196CC..  trans-122.5159.4-179.6-63.60000111.3L9 F22 F91 L95L9-V97 HydrophobicContact CD1-CG2 3.68Å; L9-V97 HydrophobicContact CD2-CG2 4.49Å; F22-V97 HydrophobicContact CE1-CG1 4.14Å; F22-V97 HydrophobicContact CZ-CG1 3.6Å; F91-V97 HydrophobicContact CD1-CG2 4.35Å; F91-V97 PolarHBondContact O-N 3.22Å; L95-V97 HydrophobicContact CB-CG1 4.36Å; L95-V97 HydrophobicContact CB-CG2 3.84Å; L95-V97 HydrophobicContact CD1-CG2 4.46Å
98A97.8Very high98Very high24 Ų2443 Ų4320%0.19820%0.199CC..  trans-89.1111169.300000108.9E100 E101 H102A98-E100 HydrophobicContact CB-CG 4.32Å; A98-E100 PolarHBondContact O-N 2.64Å; A98-E100 VanDerWaalsContact O-N 3.15Å; A98-E101 HydrophobicContact CB-CG 4.05Å; A98-E101 PolarHBondContact O-N 2.83Å; A98-H102 PolarHBondContact O-CD2 2.97Å
99P98Very high97.9Very high0 Ų038.6 Ų38.60%018%0.178CC..G310 helixtrans-59.1-26.7-176.123-32.6000113.7F91 Y92 E101 H102 F128 V130F91-P99 HydrophobicContact CB-CG 4.38Å; F91-P99 HydrophobicContact CD1-CB 3.93Å; F91-P99 HydrophobicContact CD2-CB 3.95Å; F91-P99 HydrophobicContact CD2-CG 4.12Å; F91-P99 HydrophobicContact CE1-CB 4.03Å; F91-P99 HydrophobicContact CE2-CB 4.06Å; F91-P99 HydrophobicContact CG-CB 3.9Å; F91-P99 HydrophobicContact CG-CG 4.16Å; F91-P99 HydrophobicContact CZ-CB 4.1Å; Y92-P99 WeakPolarHBondContact OH-CD 3.37Å; P99-E101 PolarHBondContact O-N 3.2Å; P99-H102 PolarHBondContact O-N 2.85Å; P99-F128 HydrophobicContact CB-CB 4.15Å; P99-F128 HydrophobicContact CG-CB 4.11Å; P99-F128 HydrophobicContact CG-CD1 4.06Å; P99-V130 HydrophobicContact CB-CG1 4.17Å
100E97.9Very high97.7Very high99 Ų9937.9 Ų37.946%0.46318%0.175SC..G310 helixtrans-66-13.1175.863-93.7-13800114.5A98 N129 P131A98-E100 HydrophobicContact CB-CG 4.32Å; A98-E100 PolarHBondContact O-N 2.64Å; A98-E100 VanDerWaalsContact O-N 3.15Å; E100-N129 WeakPolarHBondContact CA-O 3.43Å; E100-N129 HydrophobicContact CB-CB 4.13Å; E100-P131 WeakPolarHBondContact O-CD 3.44Å
101E97.4Very high97.4Very high126 Ų12642.5 Ų42.559%0.58920%0.199SC*.G310 helixtrans-94.1-13.9177.3-62.2-178.4164.400112.5V6 A98 P99V6-E101 WeakPolarHBondContact CG1-O 3.45Å; A98-E101 HydrophobicContact CB-CG 4.05Å; A98-E101 PolarHBondContact O-N 2.83Å; P99-E101 PolarHBondContact O-N 3.2Å
102H97.7Very high97.2Very high22 Ų2242.9 Ų42.910%0.10220%0.201CC..SBendtrans-127.5133.2-168.3-64.4-93.6000113.7V6 A7 L9 F22 A98 P99 P131V6-H102 VanDerWaalsContact CG1-ND1 3.28Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.47Å; A7-H102 PolarHBondContact O-ND1 2.93Å; L9-H102 HydrophobicContact CD1-CB 3.82Å; L9-H102 HydrophobicContact CG-CB 3.77Å; F22-H102 AromaticContact CE1-CE1 3.87Å; A98-H102 PolarHBondContact O-CD2 2.97Å; P99-H102 PolarHBondContact O-N 2.85Å; H102-P131 VanDerWaalsContact O-CD 3.29Å; H102-P131 WeakPolarHBondContact O-CD 3.5Å
103P97.7Very high97.1Very high23 Ų2341.1 Ų41.115%0.14920%0.202CC..  trans-58.1144.8163.6-21.733.2000111.4A8 L9 A132 W357A8-P103 CarbonylContact C-O 3.54Å; A8-P103 VanDerWaalsContact CA-O 3.27Å; A8-P103 WeakPolarHBondContact CA-O 3.42Å; A8-P103 HydrophobicContact CB-CB 4.03Å; L9-P103 PolarHBondContact N-O 3.45Å; P103-A132 CarbonylContact C-O 3.59Å; P103-A132 VanDerWaalsContact CA-O 3.28Å; P103-A132 WeakPolarHBondContact CA-O 3.38Å; P103-A132 HydrophobicContact CB-CB 4.18Å; P103-W357 HydrophobicContact CB-CD2 4.42Å; P103-W357 HydrophobicContact CB-CE3 4.49Å; P103-W357 HydrophobicContact CB-CH2 4.17Å; P103-W357 HydrophobicContact CB-CZ2 4.08Å; P103-W357 HydrophobicContact CB-CZ3 4.39Å
104V98.6Very high97.1Very high0 Ų044.1 Ų44.10%021%0.211CC..EExtended strand (participates in β ladder)trans-125.7119.2-177.3-175.10000112.2L9 I11 F91 L106 M124 V130 A132 M133 Y134L9-V104 HydrophobicContact CB-CG2 4.34Å; L9-V104 HydrophobicContact CD1-CG2 4.42Å; L9-V104 CarbonylContact O-C 3.57Å; L9-V104 WeakPolarHBondContact O-CA 3.46Å; I11-V104 HydrophobicContact CD1-CG1 3.91Å; I11-V104 HydrophobicContact CG1-CG1 4.3Å; F91-V104 HydrophobicContact CE1-CG1 4.48Å; F91-V104 HydrophobicContact CE1-CG2 4.03Å; F91-V104 HydrophobicContact CZ-CG1 4.26Å; F91-V104 HydrophobicContact CZ-CG2 4.09Å; V104-L106 HydrophobicContact CG1-CD1 4.29Å; V104-L106 HydrophobicContact CG1-CG 4.08Å; V104-M124 HydrophobicContact CG1-SD 4.43Å; V104-V130 HydrophobicContact CB-CG1 4.37Å; V104-V130 HydrophobicContact CG2-CB 4.2Å; V104-V130 HydrophobicContact CG2-CG1 3.61Å; V104-A132 PolarHBondContact N-O 2.95Å; V104-M133 CarbonylContact O-C 3.28Å; V104-M133 WeakPolarHBondContact O-CA 3.46Å; V104-M133 VanDerWaalsContact O-CB 3.32Å; V104-M133 WeakPolarHBondContact O-CB 3.49Å; V104-Y134 PolarHBondContact O-N 2.8Å
105L98.5Very high97.1Very high0 Ų043.9 Ų43.90%022%0.221CC..EExtended strand (participates in β ladder)trans-92.5121.1167-171152.3000109.7L9 V10 I11 T107 Y134 A136 L141 L347 A348 F353 W357L9-L105 PolarHBondContact O-N 2.92Å; V10-L105 WeakPolarHBondContact CA-O 3.45Å; V10-L105 HydrophobicContact CG1-CD2 4.17Å; V10-L105 HydrophobicContact CG2-CB 4.4Å; I11-L105 PolarHBondContact N-O 3.26Å; L105-T107 HydrophobicContact CD2-CG2 4.3Å; L105-Y134 WeakPolarHBondContact CA-O 3.49Å; L105-Y134 HydrophobicContact CD1-CD1 4.48Å; L105-A136 HydrophobicContact CD2-CB 4.31Å; L105-L141 HydrophobicContact CD2-CD1 4.11Å; L105-L347 HydrophobicContact CD1-CD2 4.22Å; L105-A348 HydrophobicContact CD1-CB 4.17Å; L105-F353 HydrophobicContact CD1-CE1 4.26Å; L105-F353 HydrophobicContact CD1-CZ 4.1Å; L105-W357 HydrophobicContact CB-CH2 3.89Å; L105-W357 HydrophobicContact CB-CZ3 4.12Å
106L98.6Very high97.1Very high0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-106.9145.6174.7-71.2139.9000110.4I11 N13 W87 V104 M124 M133 Y134 V135 A136I11-L106 HydrophobicContact CB-CD2 4.06Å; I11-L106 HydrophobicContact CD1-CD2 4.47Å; I11-L106 HydrophobicContact CG2-CD2 4.24Å; N13-L106 WeakPolarHBondContact ND2-CD2 3.23Å; W87-L106 HydrophobicContact CZ2-CD2 3.85Å; V104-L106 HydrophobicContact CG1-CD1 4.29Å; V104-L106 HydrophobicContact CG1-CG 4.08Å; L106-M124 HydrophobicContact CD1-CE 3.86Å; L106-M124 HydrophobicContact CD1-CG 3.51Å; L106-M124 HydrophobicContact CD1-SD 3.82Å; L106-M124 HydrophobicContact CD2-CE 3.92Å; L106-M124 HydrophobicContact CG-CE 4.48Å; L106-M133 HydrophobicContact CD1-CE 4.03Å; L106-Y134 PolarHBondContact N-O 3.02Å; L106-V135 WeakPolarHBondContact O-CA 3.34Å; L106-A136 PolarHBondContact O-N 2.73Å
107T97.9Very high97Very high1 Ų135.9 Ų35.91%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-98.4149.7173.378.50000111.7I11 D12 N13 L105 A136 Q138 L141 V340I11-T107 PolarHBondContact O-N 2.83Å; D12-T107 VanDerWaalsContact CA-OG1 3.25Å; D12-T107 WeakPolarHBondContact CA-OG1 3.48Å; D12-T107 HydrophobicContact CB-CG2 4.09Å; D12-T107 PolarHBondContact OD1-OG1 3.04Å; N13-T107 PolarHBondContact N-OG1 2.76Å; N13-T107 PolarHBondContact ND2-O 3.47Å; L105-T107 HydrophobicContact CD2-CG2 4.3Å; T107-A136 CarbonylContact C-O 3.52Å; T107-A136 VanDerWaalsContact CA-O 3.3Å; T107-A136 WeakPolarHBondContact CA-O 3.28Å; T107-Q138 PolarHBondContact OG1-NE2 3.33Å; T107-L141 HydrophobicContact CG2-CD1 3.61Å; T107-V340 HydrophobicContact CG2-CG1 3.78Å
108E96.9Very high97.1Very high13 Ų1338.1 Ų38.16%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-135.2152.2172.169.4173.6-163.900112.8N112 R117 M120 V135 A136 I137 Q138E108-N112 HydrophobicContact CB-CB 4.25Å; E108-N112 HydrophobicContact CG-CB 4.34Å; E108-N112 WeakPolarHBondContact OE2-CB 3.45Å; E108-N112 PolarHBondContact OE2-ND2 3.2Å; E108-R117 WeakPolarHBondContact OE1-CD 3.46Å; E108-R117 IonicContact OE1-CZ 3.87Å; E108-R117 IonicContact OE1-NE 3.62Å; E108-R117 WeakPolarHBondContact OE2-CD 3.38Å; E108-R117 WeakPolarHBondContact OE2-CG 3.31Å; E108-R117 IonicContact OE2-NE 3.95Å; E108-M120 HydrophobicContact CB-CE 4.22Å; E108-V135 HydrophobicContact CB-CG1 4Å; E108-V135 VanDerWaalsContact CD-CG1 3.45Å; E108-V135 HydrophobicContact CG-CG1 3.62Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.28Å; E108-A136 PolarHBondContact N-O 3.35Å; E108-I137 WeakPolarHBondContact O-CA 3.41Å; E108-Q138 VanDerWaalsContact O-CG 3.29Å; E108-Q138 WeakPolarHBondContact O-CG 3.28Å; E108-Q138 PolarHBondContact O-N 2.99Å
109A95.3Very high97.1Very high1 Ų140 Ų401%0.00820%0.204CC..  trans-64.8149.5170.500000110.4N112A109-N112 WeakPolarHBondContact O-CB 3.46Å; A109-N112 PolarHBondContact O-N 3.1Å
110P94Very high97.1Very high1 Ų140.1 Ų40.11%0.00621%0.205CC..THydrogen-bonded Turntrans-59.5149172.529.1-36.8000110.7N112 I137 H162 V164 I176P110-N112 PolarHBondContact O-N 3.34Å; P110-I137 HydrophobicContact CB-CG2 4.1Å; P110-H162 HydrophobicContact CG-CB 3.75Å; P110-H162 WeakPolarHBondContact CG-CD2 3.38Å; P110-V164 HydrophobicContact CB-CG2 4.02Å; P110-V164 HydrophobicContact CG-CG2 3.79Å; P110-I176 HydrophobicContact CB-CD1 3.98Å; P110-I176 HydrophobicContact CB-CG2 4.06Å; P110-I176 HydrophobicContact CG-CG2 4.31Å
111L92.4Very high97.1Very high96 Ų9635.4 Ų35.450%0.50318%0.183SC..THydrogen-bonded Turntrans62.921.7-177.9-47.6175000114.5I176L111-I176 HydrophobicContact CD1-CB 4.35Å; L111-I176 HydrophobicContact CD1-CG2 3.91Å; L111-I176 HydrophobicContact CD2-CD1 4.25Å; L111-I176 HydrophobicContact CG-CB 4.49Å; L111-I176 HydrophobicContact CG-CG2 4.07Å
112N95.4Very high97.2Very high8 Ų832.1 Ų32.14%0.04317%0.167CC..  trans-55.6133.2174.6-169.935.6000111.3E108 A109 P110 K114 R117E108-N112 HydrophobicContact CB-CB 4.25Å; E108-N112 HydrophobicContact CG-CB 4.34Å; E108-N112 WeakPolarHBondContact OE2-CB 3.45Å; E108-N112 PolarHBondContact OE2-ND2 3.2Å; A109-N112 WeakPolarHBondContact O-CB 3.46Å; A109-N112 PolarHBondContact O-N 3.1Å; P110-N112 PolarHBondContact O-N 3.34Å; N112-K114 PolarHBondContact O-N 3.38Å; N112-R117 PolarHBondContact O-NH2 3.15Å
113P96.4Very high97.2Very high59 Ų5931.2 Ų31.238%0.38316%0.163SC..  trans-52.4139178.1-3036.3000112.6A115 N116 R117P113-A115 VanDerWaalsContact C-N 3.26Å; P113-A115 PolarHBondContact O-N 2.84Å; P113-N116 HydrophobicContact CB-CB 4.32Å; P113-N116 WeakPolarHBondContact O-CA 3.4Å; P113-N116 WeakPolarHBondContact O-CB 3.36Å; P113-N116 PolarHBondContact O-N 2.94Å; P113-R117 PolarHBondContact O-N 3.44Å
114K96.5Very high97.2Very high135 Ų13530.1 Ų30.159%0.58716%0.156SC*.Hα-helixtrans-57.4-40178.9-73.9-169.4175.2-173.90112.8N112 N116 R117 E118 H372N112-K114 PolarHBondContact O-N 3.38Å; K114-N116 PolarHBondContact O-N 2.76Å; K114-R117 WeakPolarHBondContact O-CB 3.5Å; K114-R117 PolarHBondContact O-N 3.02Å; K114-E118 PolarHBondContact O-N 2.84Å; K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 2.99Å; K114-H372 PolarHBondContact O-CE1 3.31Å
115A97.6Very high97.2Very high64 Ų6430.2 Ų30.253%0.52916%0.156SC..Hα-helixtrans-60.1-34.5175.700000112.2P113 E118 K119P113-A115 VanDerWaalsContact C-N 3.26Å; P113-A115 PolarHBondContact O-N 2.84Å; A115-E118 PolarHBondContact O-N 3.09Å; A115-K119 WeakPolarHBondContact O-CB 3.46Å; A115-K119 PolarHBondContact O-N 3.34Å
116N98Very high97.2Very high20 Ų2035.2 Ų35.211%0.10718%0.18CC..Hα-helixtrans-70-41.3177.1-77.725.3000111.5I76 V77 W80 P113 K114 E118 K119 M120I76-N116 WeakPolarHBondContact CG2-ND2 3.37Å; V77-N116 PolarHBondContact O-ND2 3.45Å; V77-N116 VanDerWaalsContact O-ND2 3.1Å; W80-N116 HydrophobicContact CH2-CB 4.33Å; W80-N116 WeakPolarHBondContact CH2-O 3.39Å; W80-N116 HydrophobicContact CZ2-CB 3.81Å; P113-N116 HydrophobicContact CB-CB 4.32Å; P113-N116 WeakPolarHBondContact O-CA 3.4Å; P113-N116 WeakPolarHBondContact O-CB 3.36Å; P113-N116 PolarHBondContact O-N 2.94Å; K114-N116 PolarHBondContact O-N 2.76Å; N116-E118 PolarHBondContact O-N 3.23Å; N116-K119 PolarHBondContact O-N 2.96Å; N116-M120 WeakPolarHBondContact O-CG 3.34Å; N116-M120 PolarHBondContact O-N 2.84Å
117R97.2Very high97.2Very high40 Ų4038.5 Ų38.515%0.15120%0.2CC..Hα-helixtrans-58.1-46.6172.7-82.1-176-96.1-173.4-11.9112.5E108 N112 P113 K114 K119 M120 T121 V371E108-R117 WeakPolarHBondContact OE1-CD 3.46Å; E108-R117 IonicContact OE1-CZ 3.87Å; E108-R117 IonicContact OE1-NE 3.62Å; E108-R117 WeakPolarHBondContact OE2-CD 3.38Å; E108-R117 WeakPolarHBondContact OE2-CG 3.31Å; E108-R117 IonicContact OE2-NE 3.95Å; N112-R117 PolarHBondContact O-NH2 3.15Å; P113-R117 PolarHBondContact O-N 3.44Å; K114-R117 WeakPolarHBondContact O-CB 3.5Å; K114-R117 PolarHBondContact O-N 3.02Å; R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.24Å; R117-M120 HydrophobicContact CG-CE 4.18Å; R117-M120 PolarHBondContact O-N 3.01Å; R117-T121 WeakPolarHBondContact O-CB 3.21Å; R117-T121 PolarHBondContact O-N 2.76Å; R117-T121 PolarHBondContact O-OG1 3.08Å; R117-V371 HydrophobicContact CB-CG1 3.88Å; R117-V371 HydrophobicContact CB-CG2 4.42Å
118E98.4Very high97.3Very high69 Ų6938.9 Ų38.932%0.32220%0.201SC..Hα-helixtrans-61-44.1175.7-72.3172.2-153.600111K114 A115 N116 T121 Q122 P368 V371 H372K114-E118 PolarHBondContact O-N 2.84Å; A115-E118 PolarHBondContact O-N 3.09Å; N116-E118 PolarHBondContact O-N 3.23Å; E118-T121 WeakPolarHBondContact O-CB 3.31Å; E118-T121 PolarHBondContact O-N 2.89Å; E118-T121 VanDerWaalsContact O-N 3.17Å; E118-Q122 WeakPolarHBondContact O-CB 3.24Å; E118-Q122 PolarHBondContact O-N 3.37Å; E118-P368 HydrophobicContact CB-CB 3.81Å; E118-P368 HydrophobicContact CG-CB 4.16Å; E118-V371 HydrophobicContact CG-CG1 4.45Å; E118-H372 WeakPolarHBondContact CG-NE2 3.4Å; E118-H372 IonicContact OE1-CD2 3.48Å; E118-H372 PolarHBondContact OE1-CD2 3.46Å; E118-H372 IonicContact OE1-CE1 3.85Å; E118-H372 IonicContact OE1-NE2 2.73Å; E118-H372 PolarHBondContact OE1-NE2 3.44Å
119K98.5Very high97.3Very high62 Ų6241.8 Ų41.827%0.2722%0.217SC..Hα-helixtrans-66.8-39.3-179.7-170.352.8170.3163.90113.2W80 A115 N116 R117 T121 Q122 I123W80-K119 HydrophobicContact CD2-CB 4.17Å; W80-K119 HydrophobicContact CD2-CG 3.36Å; W80-K119 VanDerWaalsContact CE2-CG 3.43Å; W80-K119 HydrophobicContact CE3-CB 4.43Å; W80-K119 HydrophobicContact CE3-CG 3.73Å; W80-K119 HydrophobicContact CG-CG 3.78Å; W80-K119 HydrophobicContact CH2-CB 4Å; W80-K119 HydrophobicContact CH2-CG 4.2Å; W80-K119 HydrophobicContact CZ2-CB 3.7Å; W80-K119 HydrophobicContact CZ2-CG 3.87Å; W80-K119 HydrophobicContact CZ3-CB 4.35Å; W80-K119 HydrophobicContact CZ3-CG 4.12Å; A115-K119 WeakPolarHBondContact O-CB 3.46Å; A115-K119 PolarHBondContact O-N 3.34Å; N116-K119 PolarHBondContact O-N 2.96Å; R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.24Å; K119-T121 VanDerWaalsContact C-N 3.29Å; K119-T121 PolarHBondContact O-N 3.09Å; K119-Q122 PolarHBondContact O-N 3.46Å; K119-I123 HydrophobicContact CD-CD1 4.11Å; K119-I123 HydrophobicContact CD-CG1 4.3Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.33Å; K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.46Å; K119-I123 PolarHBondContact O-N 2.9Å
120M98Very high97.5Very high4 Ų441.7 Ų41.72%0.0222%0.217CC..Hα-helixtrans-57.8-46.3170.4-65.3-165.8-77.600110.9W80 W87 E108 N116 R117 I123 M124 V135W80-M120 HydrophobicContact CH2-CB 4.45Å; W80-M120 HydrophobicContact CH2-CG 3.47Å; W80-M120 VanDerWaalsContact CH2-CG 3.47Å; W80-M120 HydrophobicContact CZ3-CG 3.73Å; W87-M120 HydrophobicContact CH2-CB 4.14Å; W87-M120 HydrophobicContact CH2-CG 3.86Å; W87-M120 HydrophobicContact CZ2-CG 4.32Å; W87-M120 HydrophobicContact CZ2-SD 4.43Å; E108-M120 HydrophobicContact CB-CE 4.22Å; N116-M120 WeakPolarHBondContact O-CG 3.34Å; N116-M120 PolarHBondContact O-N 2.84Å; R117-M120 HydrophobicContact CG-CE 4.18Å; R117-M120 PolarHBondContact O-N 3.01Å; M120-I123 PolarHBondContact O-N 3.39Å; M120-M124 VanDerWaalsContact O-CG 3.31Å; M120-M124 WeakPolarHBondContact O-CG 3.38Å; M120-M124 PolarHBondContact O-N 3.32Å; M120-V135 HydrophobicContact CE-CG1 3.82Å; M120-V135 HydrophobicContact CE-CG2 4.22Å
121T98.4Very high97.7Very high0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-61.7-47.7-178.6-54.10000111.2R117 E118 K119 I123 M124 F125 M133 Y363 I370 V371R117-T121 WeakPolarHBondContact O-CB 3.21Å; R117-T121 PolarHBondContact O-N 2.76Å; R117-T121 PolarHBondContact O-OG1 3.08Å; E118-T121 WeakPolarHBondContact O-CB 3.31Å; E118-T121 PolarHBondContact O-N 2.89Å; E118-T121 VanDerWaalsContact O-N 3.17Å; K119-T121 VanDerWaalsContact C-N 3.29Å; K119-T121 PolarHBondContact O-N 3.09Å; T121-I123 PolarHBondContact O-N 3Å; T121-M124 PolarHBondContact O-N 3.44Å; T121-F125 HydrophobicContact CG2-CD2 3.92Å; T121-F125 HydrophobicContact CG2-CE2 3.94Å; T121-F125 WeakPolarHBondContact O-CD2 3.06Å; T121-F125 PolarHBondContact O-N 2.84Å; T121-M133 HydrophobicContact CG2-CE 4.46Å; T121-M133 HydrophobicContact CG2-SD 3.9Å; T121-Y363 HydrophobicContact CG2-CD2 3.86Å; T121-Y363 HydrophobicContact CG2-CE2 4.02Å; T121-I370 HydrophobicContact CG2-CG2 4.46Å; T121-V371 WeakPolarHBondContact OG1-CB 3.2Å
122Q98.5Very high97.9Very high57 Ų5740 Ų4027%0.26621%0.213SC..Hα-helixtrans-55.5-51.2176.3-171.5-168.58.100111.5E118 K119 M124 F125 E126 P368E118-Q122 WeakPolarHBondContact O-CB 3.24Å; E118-Q122 PolarHBondContact O-N 3.37Å; K119-Q122 PolarHBondContact O-N 3.46Å; Q122-M124 PolarHBondContact O-N 3.34Å; Q122-F125 PolarHBondContact O-N 2.85Å; Q122-E126 HydrophobicContact CG-CG 4.18Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.43Å; Q122-E126 VanDerWaalsContact CG-OE2 3.28Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.37Å; Q122-E126 PolarHBondContact NE2-OE2 3.09Å; Q122-E126 VanDerWaalsContact O-CB 3.25Å; Q122-E126 WeakPolarHBondContact O-CB 3.45Å; Q122-E126 WeakPolarHBondContact O-CG 3.38Å; Q122-E126 PolarHBondContact O-N 3.25Å; Q122-P368 HydrophobicContact CB-CG 4.02Å; Q122-P368 HydrophobicContact CG-CG 4.38Å
123I98.6Very high98Very high2 Ų239.6 Ų39.61%0.0121%0.211CC..Hα-helixtrans-63.5-42.8-176.1-70.8164.4000111.5W80 E84 W87 K119 M120 T121 F125 T127 F128W80-I123 HydrophobicContact CD2-CD1 4.22Å; W80-I123 HydrophobicContact CE3-CD1 3.43Å; W80-I123 VanDerWaalsContact CE3-CD1 3.43Å; W80-I123 HydrophobicContact CZ3-CD1 4.02Å; E84-I123 HydrophobicContact CG-CD1 3.83Å; E84-I123 HydrophobicContact CG-CG1 4.23Å; E84-I123 HydrophobicContact CG-CG2 3.73Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.45Å; W87-I123 HydrophobicContact CE3-CG2 3.82Å; W87-I123 HydrophobicContact CZ3-CB 4.05Å; W87-I123 HydrophobicContact CZ3-CD1 3.96Å; W87-I123 HydrophobicContact CZ3-CG2 3.63Å; K119-I123 HydrophobicContact CD-CD1 4.11Å; K119-I123 HydrophobicContact CD-CG1 4.3Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.33Å; K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.46Å; K119-I123 PolarHBondContact O-N 2.9Å; M120-I123 PolarHBondContact O-N 3.39Å; T121-I123 PolarHBondContact O-N 3Å; I123-F125 PolarHBondContact O-N 3.05Å; I123-T127 WeakPolarHBondContact O-CA 3.43Å; I123-T127 WeakPolarHBondContact O-CB 3.43Å; I123-T127 PolarHBondContact O-N 2.76Å; I123-F128 HydrophobicContact CG2-CD2 3.75Å; I123-F128 HydrophobicContact CG2-CE2 3.6Å; I123-F128 PolarHBondContact O-N 3.23Å; I123-F128 VanDerWaalsContact O-N 3.09Å
124M98.6Very high98.1Very high0 Ų037.9 Ų37.90%020%0.197CC..Hα-helixtrans-62.3-43-179-72.7-65.9145.500112.1W87 F91 V104 L106 M120 T121 Q122 F128 N129 V130 M133W87-M124 HydrophobicContact CB-CE 4.32Å; W87-M124 HydrophobicContact CD2-CE 3.32Å; W87-M124 HydrophobicContact CE3-CE 3.4Å; W87-M124 VanDerWaalsContact CE3-CE 3.4Å; W87-M124 HydrophobicContact CG-CE 3.78Å; W87-M124 HydrophobicContact CH2-CE 3.91Å; W87-M124 HydrophobicContact CZ2-CE 3.92Å; W87-M124 HydrophobicContact CZ3-CE 3.7Å; F91-M124 HydrophobicContact CE2-CE 4.44Å; F91-M124 HydrophobicContact CE2-SD 4.38Å; F91-M124 HydrophobicContact CZ-SD 4.19Å; V104-M124 HydrophobicContact CG1-SD 4.43Å; L106-M124 HydrophobicContact CD1-CE 3.86Å; L106-M124 HydrophobicContact CD1-CG 3.51Å; L106-M124 HydrophobicContact CD1-SD 3.82Å; L106-M124 HydrophobicContact CD2-CE 3.92Å; L106-M124 HydrophobicContact CG-CE 4.48Å; M120-M124 VanDerWaalsContact O-CG 3.31Å; M120-M124 WeakPolarHBondContact O-CG 3.38Å; M120-M124 PolarHBondContact O-N 3.32Å; T121-M124 PolarHBondContact O-N 3.44Å; Q122-M124 PolarHBondContact O-N 3.34Å; M124-F128 HydrophobicContact CE-CD2 4.15Å; M124-F128 HydrophobicContact CE-CE2 4.4Å; M124-F128 CarbonylContact O-C 3.51Å; M124-F128 HydrophobicContact SD-CD2 4.23Å; M124-N129 PolarHBondContact O-N 3.03Å; M124-V130 HydrophobicContact CB-CG1 4.48Å; M124-V130 HydrophobicContact CB-CG2 3.83Å; M124-V130 WeakPolarHBondContact O-CG2 3.34Å; M124-V130 PolarHBondContact O-N 3.34Å; M124-V130 HydrophobicContact SD-CG1 4.27Å; M124-M133 HydrophobicContact CB-SD 3.59Å; M124-M133 VanDerWaalsContact CB-SD 3.59Å; M124-M133 HydrophobicContact CG-CE 4.43Å; M124-M133 HydrophobicContact CG-SD 4.09Å
125F98.6Very high98.2Very high3 Ų331.6 Ų31.61%0.01317%0.169CC..Hα-helixtrans-80.7-43.1179.2-74.3-63.5000113.8T121 Q122 I123 N129 V130 M133 I358 K360 Y363T121-F125 HydrophobicContact CG2-CD2 3.92Å; T121-F125 HydrophobicContact CG2-CE2 3.94Å; T121-F125 WeakPolarHBondContact O-CD2 3.06Å; T121-F125 PolarHBondContact O-N 2.84Å; Q122-F125 PolarHBondContact O-N 2.85Å; I123-F125 PolarHBondContact O-N 3.05Å; F125-N129 VanDerWaalsContact O-CA 3.28Å; F125-N129 WeakPolarHBondContact O-CA 3.16Å; F125-N129 PolarHBondContact O-N 3.03Å; F125-N129 PolarHBondContact O-OD1 2.94Å; F125-V130 HydrophobicContact CD1-CG2 4.07Å; F125-V130 VanDerWaalsContact CD1-O 3.29Å; F125-V130 WeakPolarHBondContact CD1-O 3.38Å; F125-V130 HydrophobicContact CE1-CG2 4.11Å; F125-V130 WeakPolarHBondContact CE1-O 3.48Å; F125-M133 HydrophobicContact CD2-CG 4.33Å; F125-M133 HydrophobicContact CD2-SD 3.97Å; F125-M133 HydrophobicContact CE2-CG 3.49Å; F125-M133 VanDerWaalsContact CE2-CG 3.49Å; F125-M133 HydrophobicContact CE2-SD 3.64Å; F125-M133 HydrophobicContact CZ-CG 3.63Å; F125-M133 HydrophobicContact CZ-SD 4.33Å; F125-I358 HydrophobicContact CE2-CG2 3.92Å; F125-I358 HydrophobicContact CZ-CB 4.41Å; F125-I358 HydrophobicContact CZ-CG2 3.93Å; F125-I358 WeakPolarHBondContact CZ-O 3.03Å; F125-K360 HydrophobicContact CD1-CB 4.05Å; F125-K360 HydrophobicContact CD1-CG 4.17Å; F125-K360 VanDerWaalsContact CE1-CA 3.45Å; F125-K360 HydrophobicContact CE1-CB 3.91Å; F125-Y363 HydrophobicContact CB-CD1 3.63Å; F125-Y363 HydrophobicContact CB-CD2 4.28Å; F125-Y363 HydrophobicContact CB-CE1 3.71Å; F125-Y363 HydrophobicContact CB-CE2 4.31Å; F125-Y363 HydrophobicContact CB-CG 3.94Å; F125-Y363 HydrophobicContact CD1-CG 4.4Å; F125-Y363 AromaticContact CD2-CD1 3.98Å; F125-Y363 HydrophobicContact CD2-CD1 3.98Å; F125-Y363 AromaticContact CD2-CD2 3.3Å; F125-Y363 HydrophobicContact CD2-CD2 3.3Å; F125-Y363 AromaticContact CD2-CE2 3.9Å; F125-Y363 HydrophobicContact CD2-CE2 3.9Å; F125-Y363 AromaticContact CD2-CG 3.33Å; F125-Y363 HydrophobicContact CD2-CG 3.33Å; F125-Y363 AromaticContact CE2-CD2 3.84Å; F125-Y363 HydrophobicContact CE2-CD2 3.84Å; F125-Y363 AromaticContact CE2-CG 3.84Å; F125-Y363 HydrophobicContact CE2-CG 3.84Å; F125-Y363 AromaticContact CG-CD1 3.82Å; F125-Y363 HydrophobicContact CG-CD1 3.82Å; F125-Y363 HydrophobicContact CG-CD2 4.02Å; F125-Y363 HydrophobicContact CG-CE1 4.35Å; F125-Y363 HydrophobicContact CG-CE2 4.49Å; F125-Y363 AromaticContact CG-CG 3.64Å; F125-Y363 HydrophobicContact CG-CG 3.64Å
126E98.4Very high98.2Very high104 Ų10429 Ų2949%0.48615%0.148SC..Hα-helixtrans-84.8-42.5-173.2-63.8-179.7-17300112.7Q122 Y363Q122-E126 HydrophobicContact CG-CG 4.18Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.43Å; Q122-E126 VanDerWaalsContact CG-OE2 3.28Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.37Å; Q122-E126 PolarHBondContact NE2-OE2 3.09Å; Q122-E126 VanDerWaalsContact O-CB 3.25Å; Q122-E126 WeakPolarHBondContact O-CB 3.45Å; Q122-E126 WeakPolarHBondContact O-CG 3.38Å; Q122-E126 PolarHBondContact O-N 3.25Å; E126-Y363 HydrophobicContact CG-CE1 4.12Å; E126-Y363 PolarHBondContact OE1-OH 3.02Å
127T98.4Very high98.1Very high70 Ų7028.8 Ų28.843%0.42915%0.147SC..THydrogen-bonded Turntrans-87.1-50.5-178.4-53.70000111.2I123I123-T127 WeakPolarHBondContact O-CA 3.43Å; I123-T127 WeakPolarHBondContact O-CB 3.43Å; I123-T127 PolarHBondContact O-N 2.76Å
128F98.5Very high98.2Very high8 Ų827.6 Ų27.64%0.03514%0.143CC..SBendtrans-94.4-6.5-174.8-65.5-69.3000114.3W87 H88 F91 Y92 P99 I123 M124 V130W87-F128 HydrophobicContact CB-CE2 3.78Å; W87-F128 HydrophobicContact CB-CZ 3.73Å; W87-F128 HydrophobicContact CE3-CE2 4.04Å; H88-F128 HydrophobicContact CB-CE1 4.12Å; H88-F128 HydrophobicContact CB-CZ 4.24Å; F91-F128 AromaticContact CD2-CD1 3.76Å; F91-F128 HydrophobicContact CD2-CD1 3.76Å; F91-F128 AromaticContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CG 4.24Å; F91-F128 HydrophobicContact CD2-CZ 4.44Å; F91-F128 HydrophobicContact CE2-CB 4.39Å; F91-F128 AromaticContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD2 4.16Å; F91-F128 HydrophobicContact CE2-CE1 4.2Å; F91-F128 HydrophobicContact CE2-CE2 4.44Å; F91-F128 AromaticContact CE2-CG 3.88Å; F91-F128 HydrophobicContact CE2-CG 3.88Å; F91-F128 HydrophobicContact CE2-CZ 4.46Å; Y92-F128 HydrophobicContact CE2-CE1 4.45Å; P99-F128 HydrophobicContact CB-CB 4.15Å; P99-F128 HydrophobicContact CG-CB 4.11Å; P99-F128 HydrophobicContact CG-CD1 4.06Å; I123-F128 HydrophobicContact CG2-CD2 3.75Å; I123-F128 HydrophobicContact CG2-CE2 3.6Å; I123-F128 PolarHBondContact O-N 3.23Å; I123-F128 VanDerWaalsContact O-N 3.09Å; M124-F128 HydrophobicContact CE-CD2 4.15Å; M124-F128 HydrophobicContact CE-CE2 4.4Å; M124-F128 CarbonylContact O-C 3.51Å; M124-F128 HydrophobicContact SD-CD2 4.23Å; F128-V130 HydrophobicContact CB-CG1 4.13Å; F128-V130 PolarHBondContact O-N 3.03Å; F128-V130 VanDerWaalsContact O-N 3.13Å
129N98.2Very high98.1Very high74 Ų7424.4 Ų24.440%0.39613%0.128SC..  trans53.730.9176.7-71.6-71000115E100 M124 F125 K360E100-N129 WeakPolarHBondContact CA-O 3.43Å; E100-N129 HydrophobicContact CB-CB 4.13Å; M124-N129 PolarHBondContact O-N 3.03Å; F125-N129 VanDerWaalsContact O-CA 3.28Å; F125-N129 WeakPolarHBondContact O-CA 3.16Å; F125-N129 PolarHBondContact O-N 3.03Å; F125-N129 PolarHBondContact O-OD1 2.94Å; N129-K360 PolarHBondContact OD1-NZ 3.27Å; N129-K360 VanDerWaalsContact OD1-NZ 3.1Å
130V98.5Very high98.1Very high0 Ų023 Ų230%013%0.125CC..  trans-59.1140.7-179.8-54.20000110.6P99 V104 M124 F125 F128 A132 M133P99-V130 HydrophobicContact CB-CG1 4.17Å; V104-V130 HydrophobicContact CB-CG1 4.37Å; V104-V130 HydrophobicContact CG2-CB 4.2Å; V104-V130 HydrophobicContact CG2-CG1 3.61Å; M124-V130 HydrophobicContact CB-CG1 4.48Å; M124-V130 HydrophobicContact CB-CG2 3.83Å; M124-V130 WeakPolarHBondContact O-CG2 3.34Å; M124-V130 PolarHBondContact O-N 3.34Å; M124-V130 HydrophobicContact SD-CG1 4.27Å; F125-V130 HydrophobicContact CD1-CG2 4.07Å; F125-V130 VanDerWaalsContact CD1-O 3.29Å; F125-V130 WeakPolarHBondContact CD1-O 3.38Å; F125-V130 HydrophobicContact CE1-CG2 4.11Å; F125-V130 WeakPolarHBondContact CE1-O 3.48Å; F128-V130 HydrophobicContact CB-CG1 4.13Å; F128-V130 PolarHBondContact O-N 3.03Å; F128-V130 VanDerWaalsContact O-N 3.13Å; V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 2.92Å; V130-M133 HydrophobicContact CG2-CB 4.14Å
131P97.8Very high98Very high48 Ų4823 Ų2331%0.31213%0.125SC..SBendtrans-69.9-30.9-179.227.2-34.7000112.2E100 H102 K360E100-P131 WeakPolarHBondContact O-CD 3.44Å; H102-P131 VanDerWaalsContact O-CD 3.29Å; H102-P131 WeakPolarHBondContact O-CD 3.5Å; P131-K360 PolarHBondContact O-N 3.13Å
132A98Very high98Very high13 Ų1323 Ų2311%0.10713%0.125CC..EExtended strand (participates in β ladder)trans-156.7155.6178.200000111.3P103 V104 V130 W357 I358P103-A132 CarbonylContact C-O 3.59Å; P103-A132 VanDerWaalsContact CA-O 3.28Å; P103-A132 WeakPolarHBondContact CA-O 3.38Å; P103-A132 HydrophobicContact CB-CB 4.18Å; V104-A132 PolarHBondContact N-O 2.95Å; V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 2.92Å; A132-W357 HydrophobicContact CB-CB 4.08Å; A132-W357 HydrophobicContact CB-CG 4.41Å; A132-I358 CarbonylContact C-O 3.51Å; A132-I358 WeakPolarHBondContact CA-O 3.47Å; A132-I358 WeakPolarHBondContact CB-O 3.42Å
133M98Very high98Very high0 Ų020.3 Ų20.30%011%0.112CC..EExtended strand (participates in β ladder)trans-149.1163.7175.367.4168.8-75.800114.1V104 L106 T121 M124 F125 V130 V135 W357 I358V104-M133 CarbonylContact O-C 3.28Å; V104-M133 WeakPolarHBondContact O-CA 3.46Å; V104-M133 VanDerWaalsContact O-CB 3.32Å; V104-M133 WeakPolarHBondContact O-CB 3.49Å; L106-M133 HydrophobicContact CD1-CE 4.03Å; T121-M133 HydrophobicContact CG2-CE 4.46Å; T121-M133 HydrophobicContact CG2-SD 3.9Å; M124-M133 HydrophobicContact CB-SD 3.59Å; M124-M133 VanDerWaalsContact CB-SD 3.59Å; M124-M133 HydrophobicContact CG-CE 4.43Å; M124-M133 HydrophobicContact CG-SD 4.09Å; F125-M133 HydrophobicContact CD2-CG 4.33Å; F125-M133 HydrophobicContact CD2-SD 3.97Å; F125-M133 HydrophobicContact CE2-CG 3.49Å; F125-M133 VanDerWaalsContact CE2-CG 3.49Å; F125-M133 HydrophobicContact CE2-SD 3.64Å; F125-M133 HydrophobicContact CZ-CG 3.63Å; F125-M133 HydrophobicContact CZ-SD 4.33Å; V130-M133 HydrophobicContact CG2-CB 4.14Å; M133-V135 HydrophobicContact CE-CG2 3.6Å; M133-W357 VanDerWaalsContact C-CE3 3.41Å; M133-I358 HydrophobicContact CG-CB 4.48Å; M133-I358 PolarHBondContact N-O 3.25Å; M133-I358 WeakPolarHBondContact O-CB 3.32Å; M133-I358 PolarHBondContact O-N 2.91Å
134Y98.1Very high97.8Very high22 Ų2223.8 Ų23.89%0.08613%0.126CC..EExtended strand (participates in β ladder)trans-146.8146.7172.5-167.4-93.3000110V104 L105 L106 A136 F353 M356 K374 C375V104-Y134 PolarHBondContact O-N 2.8Å; L105-Y134 WeakPolarHBondContact CA-O 3.49Å; L105-Y134 HydrophobicContact CD1-CD1 4.48Å; L106-Y134 PolarHBondContact N-O 3.02Å; Y134-A136 HydrophobicContact CD1-CB 4.1Å; Y134-A136 HydrophobicContact CE1-CB 3.98Å; Y134-F353 HydrophobicContact CD1-CE2 4.19Å; Y134-F353 AromaticContact CD1-CZ 3.65Å; Y134-F353 HydrophobicContact CD1-CZ 3.65Å; Y134-F353 HydrophobicContact CD2-CE2 4.41Å; Y134-F353 AromaticContact CD2-CZ 3.98Å; Y134-F353 HydrophobicContact CD2-CZ 3.98Å; Y134-F353 HydrophobicContact CE1-CE2 4.15Å; Y134-F353 HydrophobicContact CE1-CZ 4.09Å; Y134-F353 HydrophobicContact CE2-CE2 4.38Å; Y134-F353 HydrophobicContact CE2-CZ 4.39Å; Y134-F353 HydrophobicContact CG-CE2 4.32Å; Y134-F353 AromaticContact CG-CZ 3.59Å; Y134-F353 HydrophobicContact CG-CZ 3.59Å; Y134-M356 HydrophobicContact CD2-CB 4.39Å; Y134-M356 WeakPolarHBondContact CD2-O 3.17Å; Y134-M356 HydrophobicContact CE2-CB 4.13Å; Y134-M356 HydrophobicContact CE2-CE 4.38Å; Y134-K374 WeakPolarHBondContact CE2-O 3.36Å; Y134-C375 VanDerWaalsContact CD2-SG 3.5Å; Y134-C375 HydrophobicContact CE2-CB 4.31Å; Y134-C375 VanDerWaalsContact CE2-SG 3.53Å
135V98Very high97.7Very high3 Ų324.9 Ų24.92%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-114126.6174.4-1790000108.8L106 E108 M120 M133 V371 C375L106-V135 WeakPolarHBondContact O-CA 3.34Å; E108-V135 HydrophobicContact CB-CG1 4Å; E108-V135 VanDerWaalsContact CD-CG1 3.45Å; E108-V135 HydrophobicContact CG-CG1 3.62Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.28Å; M120-V135 HydrophobicContact CE-CG1 3.82Å; M120-V135 HydrophobicContact CE-CG2 4.22Å; M133-V135 HydrophobicContact CE-CG2 3.6Å; V135-V371 HydrophobicContact CB-CG2 4.33Å; V135-V371 HydrophobicContact CG2-CG2 4.07Å; V135-C375 HydrophobicContact CB-CB 4.44Å; V135-C375 PolarHBondContact N-SG 3.32Å; V135-C375 VanDerWaalsContact N-SG 3.4Å; V135-C375 WeakPolarHBondContact O-CB 3.33Å
136A97.3Very high97.5Very high9 Ų925.9 Ų25.97%0.07414%0.142CC..EExtended strand (participates in β ladder)trans-126.3143.2-178.500000112.3L105 L106 T107 E108 Y134 Q138 L141L105-A136 HydrophobicContact CD2-CB 4.31Å; L106-A136 PolarHBondContact O-N 2.73Å; T107-A136 CarbonylContact C-O 3.52Å; T107-A136 VanDerWaalsContact CA-O 3.3Å; T107-A136 WeakPolarHBondContact CA-O 3.28Å; E108-A136 PolarHBondContact N-O 3.35Å; Y134-A136 HydrophobicContact CD1-CB 4.1Å; Y134-A136 HydrophobicContact CE1-CB 3.98Å; A136-Q138 PolarHBondContact O-N 3.07Å; A136-L141 HydrophobicContact CB-CD1 3.86Å; A136-L141 HydrophobicContact CB-CD2 3.85Å; A136-L141 HydrophobicContact CB-CG 3.93Å
137I96.9Very high97.3Very high17 Ų1724.3 Ų24.39%0.08715%0.154CC..EExtended strand (participates in β ladder)trans-69.8126.4177.8-61.3171.7000109.5E108 P110 A139 V140 L141 A171E108-I137 WeakPolarHBondContact O-CA 3.41Å; P110-I137 HydrophobicContact CB-CG2 4.1Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.35Å; I137-A139 PolarHBondContact O-N 3.37Å; I137-V140 HydrophobicContact CB-CB 4.32Å; I137-V140 HydrophobicContact CB-CG2 3.91Å; I137-V140 HydrophobicContact CG2-CG2 4.17Å; I137-V140 PolarHBondContact O-N 3.14Å; I137-L141 PolarHBondContact O-N 2.84Å; I137-A171 HydrophobicContact CD1-CB 4.18Å
138Q97.8Very high97.2Very high15 Ų1523.7 Ų23.77%0.0714%0.144CC..Hα-helixtrans-50.1-47.6-177.5-72.7172.8-30.700112.8D12 N13 T107 E108 A136 V140 L141 S142 V340D12-Q138 PolarHBondContact OD1-NE2 2.81Å; N13-Q138 PolarHBondContact O-NE2 2.9Å; T107-Q138 PolarHBondContact OG1-NE2 3.33Å; E108-Q138 VanDerWaalsContact O-CG 3.29Å; E108-Q138 WeakPolarHBondContact O-CG 3.28Å; E108-Q138 PolarHBondContact O-N 2.99Å; A136-Q138 PolarHBondContact O-N 3.07Å; Q138-V140 PolarHBondContact O-N 3.27Å; Q138-L141 PolarHBondContact O-N 3.48Å; Q138-S142 PolarHBondContact O-N 2.92Å; Q138-S142 PolarHBondContact O-OG 3.15Å; Q138-V340 HydrophobicContact CB-CG1 3.92Å; Q138-V340 HydrophobicContact CB-CG2 3.97Å; Q138-V340 HydrophobicContact CG-CG1 3.81Å; Q138-V340 HydrophobicContact CG-CG2 4.49Å
139A97.4Very high97Very high1 Ų127 Ų271%0.00817%0.165CC..Hα-helixtrans-64.4-36.6-179.700000113.5I137 L141 S142 L143 V153 V164I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.35Å; I137-A139 PolarHBondContact O-N 3.37Å; A139-L141 VanDerWaalsContact C-N 3.35Å; A139-S142 PolarHBondContact O-N 3.17Å; A139-L143 PolarHBondContact O-N 3.2Å; A139-V153 HydrophobicContact CB-CB 4.07Å; A139-V153 HydrophobicContact CB-CG1 4.03Å; A139-V153 WeakPolarHBondContact O-CG2 3.36Å; A139-V164 HydrophobicContact CB-CB 3.56Å; A139-V164 HydrophobicContact CB-CG1 3.94Å; A139-V164 HydrophobicContact CB-CG2 3.48Å; A139-V164 VanDerWaalsContact CB-CG2 3.48Å
140V97.3Very high97Very high34 Ų3424.6 Ų24.621%0.20615%0.153CC..Hα-helixtrans-64.7-43.9177.31780000110.1I137 Q138 S142 L143 Y144 I166 A171I137-V140 HydrophobicContact CB-CB 4.32Å; I137-V140 HydrophobicContact CB-CG2 3.91Å; I137-V140 HydrophobicContact CG2-CG2 4.17Å; I137-V140 PolarHBondContact O-N 3.14Å; Q138-V140 PolarHBondContact O-N 3.27Å; V140-S142 PolarHBondContact O-N 3.01Å; V140-L143 PolarHBondContact O-N 2.86Å; V140-Y144 WeakPolarHBondContact O-CB 3.24Å; V140-Y144 PolarHBondContact O-N 2.68Å; V140-I166 HydrophobicContact CB-CD1 4.44Å; V140-I166 HydrophobicContact CG2-CD1 4.05Å; V140-I166 HydrophobicContact CG2-CG1 4.16Å; V140-A171 HydrophobicContact CG2-CB 3.99Å
141L97.8Very high97Very high2 Ų224.6 Ų24.61%0.0115%0.153CC..Hα-helixtrans-62.1-43.1174.8-60.7-179.9000111.7L105 T107 A136 I137 Q138 A139 L143 Y144 A145 V340 G343 L347L105-L141 HydrophobicContact CD2-CD1 4.11Å; T107-L141 HydrophobicContact CG2-CD1 3.61Å; A136-L141 HydrophobicContact CB-CD1 3.86Å; A136-L141 HydrophobicContact CB-CD2 3.85Å; A136-L141 HydrophobicContact CB-CG 3.93Å; I137-L141 PolarHBondContact O-N 2.84Å; Q138-L141 PolarHBondContact O-N 3.48Å; A139-L141 VanDerWaalsContact C-N 3.35Å; L141-L143 VanDerWaalsContact C-N 3.33Å; L141-L143 PolarHBondContact O-N 3.38Å; L141-Y144 WeakPolarHBondContact O-CB 3.43Å; L141-Y144 PolarHBondContact O-N 3.02Å; L141-Y144 VanDerWaalsContact O-N 3.12Å; L141-A145 PolarHBondContact O-N 3.05Å; L141-V340 WeakPolarHBondContact CB-O 3.36Å; L141-V340 HydrophobicContact CD1-CG1 4.31Å; L141-G343 VanDerWaalsContact O-CA 3.31Å; L141-G343 WeakPolarHBondContact O-CA 3.27Å; L141-L347 HydrophobicContact CD2-CB 4.39Å; L141-L347 HydrophobicContact CD2-CD2 3.64Å
142S97.8Very high97Very high0 Ų022.3 Ų22.30%014%0.138CC..Hα-helixtrans-61.6-38.5176.9-71.90000113.5Q138 A139 V140 Y144 S301 V340Q138-S142 PolarHBondContact O-N 2.92Å; Q138-S142 PolarHBondContact O-OG 3.15Å; A139-S142 PolarHBondContact O-N 3.17Å; V140-S142 PolarHBondContact O-N 3.01Å; S142-Y144 VanDerWaalsContact C-N 3.33Å; S142-S301 WeakPolarHBondContact CB-OG 3.34Å; S142-S301 PolarHBondContact OG-OG 3.21Å; S142-V340 WeakPolarHBondContact OG-CA 3.41Å; S142-V340 WeakPolarHBondContact OG-CG2 3.45Å; S142-V340 PolarHBondContact OG-N 3.49Å
143L97.5Very high97.1Very high2 Ų221.7 Ų21.71%0.0113%0.133CC..Hα-helixtrans-63.8-44.3173.5-172.864.6000110.6A139 V140 L141 A145 S146 R148 V153 I166 V299A139-L143 PolarHBondContact O-N 3.2Å; V140-L143 PolarHBondContact O-N 2.86Å; L141-L143 VanDerWaalsContact C-N 3.33Å; L141-L143 PolarHBondContact O-N 3.38Å; L143-A145 PolarHBondContact O-N 3.32Å; L143-S146 WeakPolarHBondContact O-CB 3.25Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-S146 PolarHBondContact O-OG 3.07Å; L143-R148 CarbonylContact C-O 3.48Å; L143-R148 HydrophobicContact CD1-CB 3.64Å; L143-R148 HydrophobicContact CG-CB 3.86Å; L143-R148 PolarHBondContact O-N 2.94Å; L143-V153 HydrophobicContact CB-CG2 3.7Å; L143-V153 HydrophobicContact CD1-CG2 4.14Å; L143-V153 HydrophobicContact CG-CG2 4.42Å; L143-I166 HydrophobicContact CB-CD1 3.84Å; L143-I166 HydrophobicContact CD2-CB 3.61Å; L143-I166 HydrophobicContact CD2-CD1 3.7Å; L143-I166 HydrophobicContact CD2-CG1 4.28Å; L143-I166 HydrophobicContact CD2-CG2 3.64Å; L143-I166 HydrophobicContact CG-CD1 4.39Å; L143-V299 HydrophobicContact CD1-CB 4.38Å; L143-V299 HydrophobicContact CD1-CG2 3.65Å
144Y94.9Very high97.1Very high75 Ų7521.7 Ų21.729%0.29413%0.133SC..Hα-helixtrans-61.8-41.3-179.6-163.7-116000112.4V140 L141 S142 S146 G147 I346 L347 L350V140-Y144 WeakPolarHBondContact O-CB 3.24Å; V140-Y144 PolarHBondContact O-N 2.68Å; L141-Y144 WeakPolarHBondContact O-CB 3.43Å; L141-Y144 PolarHBondContact O-N 3.02Å; L141-Y144 VanDerWaalsContact O-N 3.12Å; S142-Y144 VanDerWaalsContact C-N 3.33Å; Y144-S146 PolarHBondContact O-N 3.26Å; Y144-S146 VanDerWaalsContact O-N 3.14Å; Y144-G147 WeakPolarHBondContact O-CA 3.31Å; Y144-G147 PolarHBondContact O-N 3.38Å; Y144-I346 HydrophobicContact CD1-CB 4.33Å; Y144-I346 HydrophobicContact CD1-CG2 4.21Å; Y144-I346 HydrophobicContact CE1-CB 4.06Å; Y144-I346 HydrophobicContact CE1-CG2 3.53Å; Y144-L347 HydrophobicContact CD1-CB 4.29Å; Y144-L347 HydrophobicContact CE1-CB 4.23Å; Y144-L347 HydrophobicContact CE1-CD1 4.46Å; Y144-L350 HydrophobicContact CE1-CD1 4.27Å; Y144-L350 WeakPolarHBondContact OH-CD1 3.1Å
145A96.3Very high97.1Very high22 Ų2221 Ų2118%0.18213%0.131CC..Hα-helixtrans-57.2-27.8173.500000113.2L141 L143 G147 S339 I342L141-A145 PolarHBondContact O-N 3.05Å; L143-A145 PolarHBondContact O-N 3.32Å; A145-G147 VanDerWaalsContact C-N 3.27Å; A145-G147 PolarHBondContact O-N 2.83Å; A145-S339 VanDerWaalsContact CB-O 3.24Å; A145-S339 WeakPolarHBondContact CB-O 3.42Å; A145-I342 HydrophobicContact CB-CB 4.17Å; A145-I342 HydrophobicContact CB-CG2 3.95Å
146S94.9Very high97.1Very high24 Ų2421 Ų2117%0.16813%0.13CC..THydrogen-bonded Turntrans-83.71.9176.485.60000114L143 Y144 R148L143-S146 WeakPolarHBondContact O-CB 3.25Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-S146 PolarHBondContact O-OG 3.07Å; Y144-S146 PolarHBondContact O-N 3.26Å; Y144-S146 VanDerWaalsContact O-N 3.14Å; S146-R148 PolarHBondContact O-NH1 3.15Å; S146-R148 WeakPolarHBondContact OG-CD 3.4Å; S146-R148 PolarHBondContact OG-NH1 3.08Å; S146-R148 VanDerWaalsContact OG-NH1 3.11Å
147G94.4Very high97.2Very high72 Ų7221.6 Ų21.674%0.74214%0.138SC*.THydrogen-bonded Turntrans73.829.9-176.500000113.6Y144 A145Y144-G147 WeakPolarHBondContact O-CA 3.31Å; Y144-G147 PolarHBondContact O-N 3.38Å; A145-G147 VanDerWaalsContact C-N 3.27Å; A145-G147 PolarHBondContact O-N 2.83Å
148R95.6Very high97.2Very high57 Ų5722.6 Ų22.622%0.21514%0.143CC..  trans-124.4149.3-177.2-68.4174.6179.665.517111.1L143 S146 N297L143-R148 CarbonylContact C-O 3.48Å; L143-R148 HydrophobicContact CD1-CB 3.64Å; L143-R148 HydrophobicContact CG-CB 3.86Å; L143-R148 PolarHBondContact O-N 2.94Å; S146-R148 PolarHBondContact O-NH1 3.15Å; S146-R148 WeakPolarHBondContact OG-CD 3.4Å; S146-R148 PolarHBondContact OG-NH1 3.08Å; S146-R148 VanDerWaalsContact OG-NH1 3.11Å; R148-N297 WeakPolarHBondContact CD-OD1 3.4Å; R148-N297 PolarHBondContact NE-OD1 2.78Å
149T95.1Very high97.1Very high78 Ų7821.9 Ų21.948%0.47914%0.14SC..SBendtrans-114.9-16.9172.453.30000112.4E168 G169T149-E168 PolarHBondContact O-N 3.09Å; T149-E168 VanDerWaalsContact O-N 3.15Å; T149-G169 PolarHBondContact O-N 3.15Å
150T97.8Very high97.2Very high22 Ų2222.2 Ų22.214%0.13514%0.142CC..SBendtrans-127.5133.6176.3-61.20000109.9I166 Y167 E168 D293T150-I166 WeakPolarHBondContact CA-O 3.38Å; T150-Y167 HydrophobicContact CG2-CD2 3.67Å; T150-Y167 HydrophobicContact CG2-CE2 4.22Å; T150-E168 PolarHBondContact OG1-N 3.37Å; T150-D293 HydrophobicContact CG2-CB 3.78Å
151G98.3Very high97.2Very high0 Ų020.7 Ų20.70%013%0.133CC..EExtended strand (participates in β ladder)trans160.6179.7-178.700000111.6I166 L294 N297G151-I166 PolarHBondContact N-O 2.73Å; G151-I166 PolarHBondContact O-N 2.68Å; G151-L294 VanDerWaalsContact C-CD2 3.47Å; G151-L294 VanDerWaalsContact O-CD2 3.32Å; G151-L294 WeakPolarHBondContact O-CD2 3.49Å; G151-N297 CarbonylContact C-O 3.21Å; G151-N297 VanDerWaalsContact CA-O 3.27Å; G151-N297 WeakPolarHBondContact CA-O 3.41Å
152I98.7Very high97.2Very high0 Ų020.6 Ų20.60%013%0.132CC..EExtended strand (participates in β ladder)trans-115.5134170.8-174.6166.3000109.2P165 T279 S282 I283 N297 T298 V299I152-P165 HydrophobicContact CD1-CB 4.36Å; I152-P165 HydrophobicContact CG1-CB 4.36Å; I152-T279 HydrophobicContact CD1-CG2 3.93Å; I152-T279 HydrophobicContact CG1-CG2 4.46Å; I152-T279 HydrophobicContact CG2-CG2 4.23Å; I152-S282 WeakPolarHBondContact CD1-OG 3.4Å; I152-I283 HydrophobicContact CD1-CD1 4.39Å; I152-I283 HydrophobicContact CD1-CG1 3.66Å; I152-I283 HydrophobicContact CG2-CD1 4.07Å; I152-I283 HydrophobicContact CG2-CG1 4.26Å; I152-N297 PolarHBondContact N-O 3.06Å; I152-T298 HydrophobicContact CG2-CG2 4.09Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.07Å; I152-T298 CarbonylContact O-C 3.55Å; I152-T298 WeakPolarHBondContact O-CA 3.23Å; I152-V299 PolarHBondContact O-N 3.19Å
153V98.7Very high97.3Very high0 Ų020.6 Ų20.60%013%0.132CC..EExtended strand (participates in β ladder)trans-103.3124.5176.6177.60000109.2A139 L143 D155 T163 V164 I166 V299A139-V153 HydrophobicContact CB-CB 4.07Å; A139-V153 HydrophobicContact CB-CG1 4.03Å; A139-V153 WeakPolarHBondContact O-CG2 3.36Å; L143-V153 HydrophobicContact CB-CG2 3.7Å; L143-V153 HydrophobicContact CD1-CG2 4.14Å; L143-V153 HydrophobicContact CG-CG2 4.42Å; V153-D155 HydrophobicContact CG1-CB 4.04Å; V153-T163 WeakPolarHBondContact O-CA 3.31Å; V153-V164 PolarHBondContact N-O 3.18Å; V153-V164 PolarHBondContact O-N 3.23Å; V153-I166 HydrophobicContact CG2-CD1 3.91Å; V153-V299 WeakPolarHBondContact CA-O 3.35Å; V153-V299 HydrophobicContact CG2-CB 4.28Å
154L98.7Very high97.3Very high0 Ų020.5 Ų20.50%013%0.132CC..EExtended strand (participates in β ladder)trans-94.399.3161.5173.864.1000107.3T161 H162 T163 I275 V299 L300 S301 M314L154-T161 HydrophobicContact CD1-CG2 3.56Å; L154-H162 WeakPolarHBondContact CA-O 3.11Å; L154-T163 HydrophobicContact CD1-CG2 3.68Å; L154-I275 HydrophobicContact CD1-CB 4.1Å; L154-I275 HydrophobicContact CD1-CG2 4.28Å; L154-I275 HydrophobicContact CD2-CB 4.02Å; L154-I275 HydrophobicContact CD2-CD1 3.93Å; L154-I275 HydrophobicContact CD2-CG1 4.36Å; L154-V299 PolarHBondContact N-O 3.2Å; L154-L300 HydrophobicContact CB-CD2 4.05Å; L154-L300 HydrophobicContact CD2-CD2 3.95Å; L154-L300 HydrophobicContact CG-CD2 4.42Å; L154-S301 PolarHBondContact O-N 3.39Å; L154-M314 HydrophobicContact CD2-CE 3.61Å; L154-M314 HydrophobicContact CD2-SD 4.06Å
155D98.3Very high97.5Very high8 Ų817 Ų174%0.04312%0.118CC..EExtended strand (participates in β ladder)trans-100.2116.8176.9-174.957.5000109.7V153 T161 H162 S301V153-D155 HydrophobicContact CG1-CB 4.04Å; D155-T161 CarbonylContact O-C 3.6Å; D155-T161 VanDerWaalsContact O-CA 3.27Å; D155-T161 WeakPolarHBondContact O-CA 3.44Å; D155-H162 PolarHBondContact N-O 3Å; D155-H162 PolarHBondContact O-N 3.15Å; D155-S301 WeakPolarHBondContact CA-O 3.35Å; D155-S301 WeakPolarHBondContact OD1-CB 3.31Å; D155-S301 PolarHBondContact OD1-OG 3.34Å
156S98.5Very high97.6Very high2 Ų216 Ų161%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-126.6104.3179.8-169.10000110.5T161 S301 G302 G303 S304S156-T161 WeakPolarHBondContact CB-OG1 3.45Å; S156-T161 PolarHBondContact OG-OG1 3.18Å; S156-S301 PolarHBondContact N-O 3.25Å; S156-G302 CarbonylContact O-C 3.58Å; S156-G302 WeakPolarHBondContact O-CA 3.19Å; S156-G303 PolarHBondContact O-N 2.99Å; S156-S304 WeakPolarHBondContact O-CB 3.33Å; S156-S304 PolarHBondContact O-N 3.47Å; S156-S304 VanDerWaalsContact OG-CB 3.27Å; S156-S304 WeakPolarHBondContact OG-CB 3.38Å
157G97.7Very high97.7Very high22 Ų2218.5 Ų18.523%0.22712%0.116CC..  trans-91.6-147.4-175.600000113.6V160 A182 G183 S304G157-V160 PolarHBondContact N-O 2.92Å; G157-A182 WeakPolarHBondContact O-CB 3.36Å; G157-G183 PolarHBondContact O-N 3.32Å; G157-G183 VanDerWaalsContact O-N 3.15Å; G157-S304 PolarHBondContact O-OG 3.39Å
158D97.5Very high97.8Very high38 Ų3820.7 Ų20.720%0.20311%0.107CC..SBendtrans-84.9-39.6170.9-177.960.9000112G16 A182 G183 R184G16-D158 WeakPolarHBondContact CA-OD2 3.27Å; D158-A182 CarbonylContact O-C 3.54Å; D158-A182 WeakPolarHBondContact O-CB 3.38Å; D158-G183 PolarHBondContact O-N 3.12Å; D158-G183 VanDerWaalsContact O-N 3.08Å; D158-R184 VanDerWaalsContact O-CB 3.25Å; D158-R184 WeakPolarHBondContact O-CB 3.43Å; D158-R184 PolarHBondContact O-N 3.39Å; D158-R184 PolarHBondContact OD1-N 3.18Å; D158-R184 IonicContact OD2-CZ 3.55Å; D158-R184 IonicContact OD2-NE 2.83Å; D158-R184 PolarHBondContact OD2-NE 2.86Å; D158-R184 IonicContact OD2-NH2 3.2Å; D158-R184 PolarHBondContact OD2-NH2 3.15Å
159G96.7Very high97.7Very high1 Ų119.6 Ų19.61%0.0111%0.113CC..SBendtrans-105.2-17.9-172.600000115.9H74H74-G159 WeakPolarHBondContact CA-O 3.28Å; H74-G159 PolarHBondContact CD2-O 3.11Å
160V97.8Very high97.6Very high7 Ų723.6 Ų23.64%0.04212%0.12CC..  trans-159.9153.1-172.660.40000111.3H74 G157 H162 R178H74-V160 HydrophobicContact CB-CB 4.21Å; G157-V160 PolarHBondContact N-O 2.92Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.37Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.36Å; V160-R178 HydrophobicContact CG2-CG 3.88Å
161T98.6Very high97.6Very high2 Ų223.3 Ų23.31%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-116.9135.6171.1-60.90000110.5L154 D155 S156 L179 L181 I275L154-T161 HydrophobicContact CD1-CG2 3.56Å; D155-T161 CarbonylContact O-C 3.6Å; D155-T161 VanDerWaalsContact O-CA 3.27Å; D155-T161 WeakPolarHBondContact O-CA 3.44Å; S156-T161 WeakPolarHBondContact CB-OG1 3.45Å; S156-T161 PolarHBondContact OG-OG1 3.18Å; T161-L179 PolarHBondContact N-O 3.49Å; T161-L179 PolarHBondContact O-N 3.39Å; T161-L181 WeakPolarHBondContact CB-O 3.47Å; T161-L181 PolarHBondContact OG1-O 3.37Å; T161-I275 HydrophobicContact CG2-CG2 3.89Å
162H98.3Very high97.5Very high1 Ų124.9 Ų24.91%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-128.3144177.4-60.5105.2000111.5P110 L154 D155 V160 V164 L177P110-H162 HydrophobicContact CG-CB 3.75Å; P110-H162 WeakPolarHBondContact CG-CD2 3.38Å; L154-H162 WeakPolarHBondContact CA-O 3.11Å; D155-H162 PolarHBondContact N-O 3Å; D155-H162 PolarHBondContact O-N 3.15Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.37Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.36Å; H162-V164 HydrophobicContact CB-CG2 4Å; H162-L177 WeakPolarHBondContact CA-O 3.42Å
163T98.6Very high97.4Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-111.8117.7163.660.20000108.6V153 L154 I176 L177 T278 T279 S282V153-T163 WeakPolarHBondContact O-CA 3.31Å; L154-T163 HydrophobicContact CD1-CG2 3.68Å; T163-I176 WeakPolarHBondContact O-CA 3.2Å; T163-L177 PolarHBondContact N-O 2.87Å; T163-L177 PolarHBondContact O-N 2.82Å; T163-L177 VanDerWaalsContact O-N 3.07Å; T163-L177 WeakPolarHBondContact OG1-CB 3.22Å; T163-T278 HydrophobicContact CG2-CG2 3.93Å; T163-T278 PolarHBondContact OG1-O 2.83Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.26Å; T163-S282 WeakPolarHBondContact OG1-CB 3.22Å
164V98.6Very high97.3Very high0 Ų034.3 Ų34.30%018%0.18CC..EExtended strand (participates in β ladder)trans-125.1103.6-172.3-172.90000108.8P110 A139 V153 H162 I166 A171 I176P110-V164 HydrophobicContact CB-CG2 4.02Å; P110-V164 HydrophobicContact CG-CG2 3.79Å; A139-V164 HydrophobicContact CB-CB 3.56Å; A139-V164 HydrophobicContact CB-CG1 3.94Å; A139-V164 HydrophobicContact CB-CG2 3.48Å; A139-V164 VanDerWaalsContact CB-CG2 3.48Å; V153-V164 PolarHBondContact N-O 3.18Å; V153-V164 PolarHBondContact O-N 3.23Å; H162-V164 HydrophobicContact CB-CG2 4Å; V164-I166 HydrophobicContact CG1-CD1 4.33Å; V164-I166 HydrophobicContact CG1-CG1 4Å; V164-A171 HydrophobicContact CG1-CB 3.9Å; V164-I176 HydrophobicContact CG1-CD1 4.07Å; V164-I176 HydrophobicContact CG1-CG1 4.09Å; V164-I176 HydrophobicContact CG2-CG2 4.27Å
165P98.6Very high97.3Very high0 Ų034.3 Ų34.30%018%0.18CC..EExtended strand (participates in β ladder)trans-77.7132.8172.527.4-23.6000109.2I152 L172 A175 S282 C286 L294I152-P165 HydrophobicContact CD1-CB 4.36Å; I152-P165 HydrophobicContact CG1-CB 4.36Å; P165-L172 HydrophobicContact CB-CD1 4.31Å; P165-L172 HydrophobicContact CG-CB 4.19Å; P165-L172 PolarHBondContact O-N 2.93Å; P165-A175 HydrophobicContact CG-CB 3.51Å; P165-S282 VanDerWaalsContact CD-OG 3.32Å; P165-S282 WeakPolarHBondContact CD-OG 3.33Å; P165-S282 WeakPolarHBondContact CG-OG 3.2Å; P165-C286 VanDerWaalsContact CB-SG 3.58Å; P165-L294 HydrophobicContact CB-CD1 4.07Å; P165-L294 HydrophobicContact CB-CD2 4.25Å
166I98.4Very high97.3Very high1 Ų134.6 Ų34.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-130.1132.6-174.4-59.6154000107.7V140 L143 T150 G151 V153 V164 Y170 A171V140-I166 HydrophobicContact CB-CD1 4.44Å; V140-I166 HydrophobicContact CG2-CD1 4.05Å; V140-I166 HydrophobicContact CG2-CG1 4.16Å; L143-I166 HydrophobicContact CB-CD1 3.84Å; L143-I166 HydrophobicContact CD2-CB 3.61Å; L143-I166 HydrophobicContact CD2-CD1 3.7Å; L143-I166 HydrophobicContact CD2-CG1 4.28Å; L143-I166 HydrophobicContact CD2-CG2 3.64Å; L143-I166 HydrophobicContact CG-CD1 4.39Å; T150-I166 WeakPolarHBondContact CA-O 3.38Å; G151-I166 PolarHBondContact N-O 2.73Å; G151-I166 PolarHBondContact O-N 2.68Å; V153-I166 HydrophobicContact CG2-CD1 3.91Å; V164-I166 HydrophobicContact CG1-CD1 4.33Å; V164-I166 HydrophobicContact CG1-CG1 4Å; I166-Y170 CarbonylContact C-O 3.16Å; I166-Y170 VanDerWaalsContact CA-O 3.28Å; I166-Y170 WeakPolarHBondContact CA-O 3.12Å; I166-A171 HydrophobicContact CG1-CB 4.39Å
167Y97.5Very high97.3Very high78 Ų7836 Ų3631%0.30619%0.189SC..EExtended strand (participates in β ladder)trans-130.2123.6179-175.9-94.8000109.3T150 G169 Y170 I290T150-Y167 HydrophobicContact CG2-CD2 3.67Å; T150-Y167 HydrophobicContact CG2-CE2 4.22Å; Y167-G169 PolarHBondContact O-N 3.37Å; Y167-G169 VanDerWaalsContact O-N 3.11Å; Y167-Y170 PolarHBondContact N-O 2.94Å; Y167-Y170 PolarHBondContact O-N 3.48Å; Y167-I290 HydrophobicContact CD2-CB 4Å; Y167-I290 HydrophobicContact CD2-CD1 4.36Å; Y167-I290 HydrophobicContact CD2-CG2 3.59Å; Y167-I290 HydrophobicContact CE2-CB 4.21Å; Y167-I290 HydrophobicContact CE2-CG2 3.46Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.46Å; Y167-I290 HydrophobicContact CG-CG2 4.36Å
168E95.2Very high97.2Very high118 Ų11839.3 Ų39.355%0.55119%0.194SC*.THydrogen-bonded Turntrans50.835.8-179.1-65.7179.9-179.800113.8T149 T150 Y170T149-E168 PolarHBondContact O-N 3.09Å; T149-E168 VanDerWaalsContact O-N 3.15Å; T150-E168 PolarHBondContact OG1-N 3.37Å; E168-Y170 WeakPolarHBondContact O-CD2 3.49Å
169G93.2Very high97.2Very high33 Ų3338.1 Ų38.134%0.3419%0.188SC..THydrogen-bonded Turntrans89.6-8-179.700000115.1T149 Y167T149-G169 PolarHBondContact O-N 3.15Å; Y167-G169 PolarHBondContact O-N 3.37Å; Y167-G169 VanDerWaalsContact O-N 3.11Å
170Y94.3Very high97.2Very high162 Ų16240.7 Ų40.764%0.63520%0.201SC*.EExtended strand (participates in β ladder)trans-100.1124.6-179.9-60.7-85.3000111.4I166 Y167 E168I166-Y170 CarbonylContact C-O 3.16Å; I166-Y170 VanDerWaalsContact CA-O 3.28Å; I166-Y170 WeakPolarHBondContact CA-O 3.12Å; Y167-Y170 PolarHBondContact N-O 2.94Å; Y167-Y170 PolarHBondContact O-N 3.48Å; E168-Y170 WeakPolarHBondContact O-CD2 3.49Å
171A96.8Very high97.2Very high17 Ų1740.3 Ų40.314%0.1420%0.199CC..EExtended strand (participates in β ladder)trans-66140.1168.900000109.9I137 V140 V164 I166 P173 I176I137-A171 HydrophobicContact CD1-CB 4.18Å; V140-A171 HydrophobicContact CG2-CB 3.99Å; V164-A171 HydrophobicContact CG1-CB 3.9Å; I166-A171 HydrophobicContact CG1-CB 4.39Å; A171-P173 WeakPolarHBondContact O-CD 3.48Å; A171-I176 HydrophobicContact CB-CD1 4.47Å
172L97.2Very high97.2Very high33 Ų3340.2 Ų40.217%0.17320%0.199CC..  trans-96.495.4180-59175.4000110.1P165 H174 A175 I176 I290P165-L172 HydrophobicContact CB-CD1 4.31Å; P165-L172 HydrophobicContact CG-CB 4.19Å; P165-L172 PolarHBondContact O-N 2.93Å; L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.36Å; L172-A175 HydrophobicContact CB-CB 4.46Å; L172-A175 PolarHBondContact O-N 3.26Å; L172-I176 PolarHBondContact O-N 3.04Å; L172-I290 HydrophobicContact CD1-CD1 3.45Å; L172-I290 VanDerWaalsContact CD1-CD1 3.45Å
173P96.1Very high97.2Very high85 Ų8540.2 Ų40.255%0.55220%0.199SC*.G310 helixtrans-66-31.4-162.3-23.137000113.8A171 A175 I176A171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-A175 PolarHBondContact O-N 2.9Å; P173-I176 PolarHBondContact O-N 3.48Å
174H96.8Very high97.2Very high113 Ų11342.1 Ų42.152%0.52321%0.206SC..G310 helixtrans-66.5-20.9178.765.5-86.2000113.4L172L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.36Å
175A98.1Very high97.1Very high0 Ų044 Ų440%022%0.216CC..G310 helixtrans-109.21.9-176.900000113.2P165 L172 P173 S282 K285 C286P165-A175 HydrophobicContact CG-CB 3.51Å; L172-A175 HydrophobicContact CB-CB 4.46Å; L172-A175 PolarHBondContact O-N 3.26Å; P173-A175 PolarHBondContact O-N 2.9Å; A175-S282 WeakPolarHBondContact O-CB 3.44Å; A175-S282 PolarHBondContact O-OG 2.77Å; A175-K285 HydrophobicContact CB-CB 3.67Å; A175-C286 VanDerWaalsContact CB-SG 3.52Å
176I98.4Very high97.1Very high13 Ų1344 Ų447%0.06722%0.216CC..  trans-69.7130.4171.9-61.8178.4000109.2P110 L111 T163 V164 A171 L172 P173P110-I176 HydrophobicContact CB-CD1 3.98Å; P110-I176 HydrophobicContact CB-CG2 4.06Å; P110-I176 HydrophobicContact CG-CG2 4.31Å; L111-I176 HydrophobicContact CD1-CB 4.35Å; L111-I176 HydrophobicContact CD1-CG2 3.91Å; L111-I176 HydrophobicContact CD2-CD1 4.25Å; L111-I176 HydrophobicContact CG-CB 4.49Å; L111-I176 HydrophobicContact CG-CG2 4.07Å; T163-I176 WeakPolarHBondContact O-CA 3.2Å; V164-I176 HydrophobicContact CG1-CD1 4.07Å; V164-I176 HydrophobicContact CG1-CG1 4.09Å; V164-I176 HydrophobicContact CG2-CG2 4.27Å; A171-I176 HydrophobicContact CB-CD1 4.47Å; L172-I176 PolarHBondContact O-N 3.04Å; P173-I176 PolarHBondContact O-N 3.48Å
177L98.3Very high97.1Very high33 Ų3344 Ų4417%0.17322%0.216CC..EExtended strand (participates in β ladder)trans-118.4143.1169.8-57.6177000110.2H162 T163 T278 N281 K285H162-L177 WeakPolarHBondContact CA-O 3.42Å; T163-L177 PolarHBondContact N-O 2.87Å; T163-L177 PolarHBondContact O-N 2.82Å; T163-L177 VanDerWaalsContact O-N 3.07Å; T163-L177 WeakPolarHBondContact OG1-CB 3.22Å; L177-T278 HydrophobicContact CB-CG2 3.64Å; L177-T278 HydrophobicContact CD1-CG2 3.99Å; L177-T278 WeakPolarHBondContact CD1-O 3.45Å; L177-T278 HydrophobicContact CG-CG2 4.47Å; L177-N281 HydrophobicContact CD1-CB 3.73Å; L177-K285 HydrophobicContact CD2-CD 4.23Å; L177-K285 VanDerWaalsContact CD2-NZ 3.32Å
178R96.8Very high97.1Very high91 Ų9143.7 Ų43.734%0.34322%0.22SC..EExtended strand (participates in β ladder)trans-120137.3-179.1174173.3162.4154.8-2.1109.2H74 V160 D180H74-R178 PolarHBondContact O-NH1 3.49Å; H74-R178 PolarHBondContact O-NH2 3.06Å; V160-R178 HydrophobicContact CG2-CG 3.88Å; R178-D180 IonicContact CZ-OD1 3.56Å; R178-D180 VanDerWaalsContact CZ-OD1 3.24Å; R178-D180 IonicContact CZ-OD2 3.52Å; R178-D180 IonicContact NE-OD1 2.7Å; R178-D180 PolarHBondContact NE-OD1 2.83Å; R178-D180 IonicContact NE-OD2 3.92Å; R178-D180 IonicContact NH2-OD1 3.38Å; R178-D180 PolarHBondContact NH2-OD1 2.95Å; R178-D180 IonicContact NH2-OD2 2.73Å; R178-D180 PolarHBondContact NH2-OD2 2.84Å; R178-D180 VanDerWaalsContact NH2-OD2 3.09Å
179L97.4Very high97.3Very high12 Ų1238.5 Ų38.56%0.06320%0.195CC..EExtended strand (participates in β ladder)trans-130.8114.9174.8179.669.4000108.3T161 L181 M270 A272 I275T161-L179 PolarHBondContact N-O 3.49Å; T161-L179 PolarHBondContact O-N 3.39Å; L179-L181 HydrophobicContact CD1-CB 4.39Å; L179-L181 HydrophobicContact CD2-CB 3.96Å; L179-L181 HydrophobicContact CD2-CD2 4.24Å; L179-L181 HydrophobicContact CD2-CG 4.49Å; L179-L181 HydrophobicContact CG-CB 3.79Å; L179-L181 PolarHBondContact O-N 3.5Å; L179-M270 HydrophobicContact CD1-CE 4.4Å; L179-A272 HydrophobicContact CD1-CB 3.59Å; L179-I275 HydrophobicContact CD2-CG2 4.29Å
180D96.7Very high97.5Very high55 Ų5536.9 Ų36.929%0.29418%0.179SC..SBendtrans-78.160.2176-7510000109.9H74 R178 M270H74-D180 IonicContact CE1-OD2 2.73Å; H74-D180 IonicContact CG-OD2 3.54Å; H74-D180 IonicContact ND1-OD2 3.24Å; H74-D180 PolarHBondContact ND1-OD2 3.09Å; R178-D180 IonicContact CZ-OD1 3.56Å; R178-D180 VanDerWaalsContact CZ-OD1 3.24Å; R178-D180 IonicContact CZ-OD2 3.52Å; R178-D180 IonicContact NE-OD1 2.7Å; R178-D180 PolarHBondContact NE-OD1 2.83Å; R178-D180 IonicContact NE-OD2 3.92Å; R178-D180 IonicContact NH2-OD1 3.38Å; R178-D180 PolarHBondContact NH2-OD1 2.95Å; R178-D180 IonicContact NH2-OD2 2.73Å; R178-D180 PolarHBondContact NH2-OD2 2.84Å; R178-D180 VanDerWaalsContact NH2-OD2 3.09Å; D180-M270 WeakPolarHBondContact O-CE 3.22Å
181L98.1Very high97.7Very high0 Ų030.5 Ų30.50%016%0.155CC..  trans-145117.5175.917052.4000108.2T161 L179 D185 L186 A261 L262 P265 L268 M270T161-L181 WeakPolarHBondContact CB-O 3.47Å; T161-L181 PolarHBondContact OG1-O 3.37Å; L179-L181 HydrophobicContact CD1-CB 4.39Å; L179-L181 HydrophobicContact CD2-CB 3.96Å; L179-L181 HydrophobicContact CD2-CD2 4.24Å; L179-L181 HydrophobicContact CD2-CG 4.49Å; L179-L181 HydrophobicContact CG-CB 3.79Å; L179-L181 PolarHBondContact O-N 3.5Å; L181-D185 WeakPolarHBondContact CA-OD2 3.34Å; L181-D185 HydrophobicContact CD1-CB 3.63Å; L181-L186 HydrophobicContact CD1-CD2 4.44Å; L181-A261 VanDerWaalsContact CD2-O 3.28Å; L181-A261 WeakPolarHBondContact CD2-O 3.45Å; L181-L262 HydrophobicContact CG-CD2 4.25Å; L181-P265 HydrophobicContact CD2-CB 3.93Å; L181-P265 HydrophobicContact CD2-CG 3.93Å; L181-L268 HydrophobicContact CD1-CD1 3.23Å; L181-L268 HydrophobicContact CD2-CD1 4.14Å; L181-L268 HydrophobicContact CG-CD1 4.31Å; L181-M270 HydrophobicContact CB-CE 4.08Å; L181-M270 HydrophobicContact CB-SD 4.09Å; L181-M270 HydrophobicContact CD1-SD 4.45Å; L181-M270 HydrophobicContact CD2-SD 4.22Å; L181-M270 HydrophobicContact CG-SD 4.48Å
182A98.2Very high97.7Very high0 Ų035.3 Ų35.30%017%0.173CC..SBendtrans-157.6-155179.300000112.5G157 D158 R184 D185 L186G157-A182 WeakPolarHBondContact O-CB 3.36Å; D158-A182 CarbonylContact O-C 3.54Å; D158-A182 WeakPolarHBondContact O-CB 3.38Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 2.84Å; A182-R184 VanDerWaalsContact O-N 3.15Å; A182-D185 PolarHBondContact N-OD2 3.01Å; A182-D185 PolarHBondContact O-N 2.88Å; A182-L186 VanDerWaalsContact O-CG 3.31Å; A182-L186 WeakPolarHBondContact O-CG 3.49Å; A182-L186 PolarHBondContact O-N 3.36Å
183G98.2Very high97.7Very high1 Ų133.8 Ų33.81%0.0117%0.165CC..Hα-helixtrans-57.3-32.4-170.100000115.1G157 D158 T187 K214 S304G157-G183 PolarHBondContact O-N 3.32Å; G157-G183 VanDerWaalsContact O-N 3.15Å; D158-G183 PolarHBondContact O-N 3.12Å; D158-G183 VanDerWaalsContact O-N 3.08Å; G183-T187 PolarHBondContact O-N 2.75Å; G183-T187 VanDerWaalsContact O-N 3.09Å; G183-T187 PolarHBondContact O-OG1 2.97Å; G183-K214 PolarHBondContact O-NZ 3.33Å; G183-S304 VanDerWaalsContact CA-OG 3.24Å; G183-S304 WeakPolarHBondContact CA-OG 3.31Å; G183-S304 PolarHBondContact N-OG 3.43Å; G183-S304 VanDerWaalsContact N-OG 3.09Å
184R97.2Very high97.8Very high39 Ų3929.7 Ų29.715%0.14714%0.138CC..Hα-helixtrans-69.3-50.5179.7-169.8172.7-63.1177.63.6110.9S15 Y70 D158 A182 L186 T187 D188 R207S15-R184 PolarHBondContact O-NH2 2.83Å; Y70-R184 VanDerWaalsContact CD1-NH2 3.31Å; D158-R184 VanDerWaalsContact O-CB 3.25Å; D158-R184 WeakPolarHBondContact O-CB 3.43Å; D158-R184 PolarHBondContact O-N 3.39Å; D158-R184 PolarHBondContact OD1-N 3.18Å; D158-R184 IonicContact OD2-CZ 3.55Å; D158-R184 IonicContact OD2-NE 2.83Å; D158-R184 PolarHBondContact OD2-NE 2.86Å; D158-R184 IonicContact OD2-NH2 3.2Å; D158-R184 PolarHBondContact OD2-NH2 3.15Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 2.84Å; A182-R184 VanDerWaalsContact O-N 3.15Å; R184-L186 VanDerWaalsContact C-N 3.32Å; R184-L186 PolarHBondContact O-N 3.27Å; R184-T187 WeakPolarHBondContact O-CA 3.4Å; R184-T187 VanDerWaalsContact O-CB 3.28Å; R184-T187 WeakPolarHBondContact O-CB 3.4Å; R184-T187 PolarHBondContact O-N 2.81Å; R184-D188 PolarHBondContact O-N 3.03Å; R184-D188 VanDerWaalsContact O-N 3.1Å; R184-R207 PolarHBondContact O-NH2 2.85Å
185D98.3Very high97.9Very high41 Ų4127.5 Ų27.522%0.21913%0.133CC..Hα-helixtrans-63.3-40.2178.8-44.1-77.3000111L181 A182 T187 D188 Y189 L268L181-D185 WeakPolarHBondContact CA-OD2 3.34Å; L181-D185 HydrophobicContact CD1-CB 3.63Å; A182-D185 PolarHBondContact N-OD2 3.01Å; A182-D185 PolarHBondContact O-N 2.88Å; D185-T187 PolarHBondContact O-N 2.86Å; D185-D188 PolarHBondContact O-N 2.66Å; D185-Y189 WeakPolarHBondContact O-CB 3.46Å; D185-Y189 PolarHBondContact O-N 3.05Å; D185-L268 HydrophobicContact CB-CD1 4.37Å
186L98.6Very high97.8Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-62.9-31.9174-65.6-180000112.3L181 A182 R184 M190 K214 C258 A261 L262 Y307L181-L186 HydrophobicContact CD1-CD2 4.44Å; A182-L186 VanDerWaalsContact O-CG 3.31Å; A182-L186 WeakPolarHBondContact O-CG 3.49Å; A182-L186 PolarHBondContact O-N 3.36Å; R184-L186 VanDerWaalsContact C-N 3.32Å; R184-L186 PolarHBondContact O-N 3.27Å; L186-M190 VanDerWaalsContact O-CB 3.28Å; L186-M190 WeakPolarHBondContact O-CB 3.42Å; L186-M190 PolarHBondContact O-N 3.1Å; L186-K214 HydrophobicContact CB-CD 3.89Å; L186-C258 WeakPolarHBondContact CD2-O 3.25Å; L186-C258 PolarHBondContact O-SG 2.98Å; L186-A261 HydrophobicContact CD2-CB 3.79Å; L186-L262 HydrophobicContact CD1-CD1 4Å; L186-L262 HydrophobicContact CD1-CD2 4.08Å; L186-L262 HydrophobicContact CD1-CG 3.91Å; L186-L262 HydrophobicContact CD2-CG 4.37Å; L186-Y307 HydrophobicContact CD1-CE2 3.91Å
187T98.3Very high97.5Very high0 Ų036.1 Ų36.10%017%0.169CC..Hα-helixtrans-68.8-44.5174.9-55.10000110.6G183 R184 D185 Y189 M190 M191 R207 V210 R211 K214G183-T187 PolarHBondContact O-N 2.75Å; G183-T187 VanDerWaalsContact O-N 3.09Å; G183-T187 PolarHBondContact O-OG1 2.97Å; R184-T187 WeakPolarHBondContact O-CA 3.4Å; R184-T187 VanDerWaalsContact O-CB 3.28Å; R184-T187 WeakPolarHBondContact O-CB 3.4Å; R184-T187 PolarHBondContact O-N 2.81Å; D185-T187 PolarHBondContact O-N 2.86Å; T187-Y189 VanDerWaalsContact C-N 3.31Å; T187-Y189 PolarHBondContact O-N 3.08Å; T187-M190 WeakPolarHBondContact O-CB 3.41Å; T187-M190 PolarHBondContact O-N 3.09Å; T187-M191 WeakPolarHBondContact O-CG 3.28Å; T187-M191 PolarHBondContact O-N 3.44Å; T187-R207 HydrophobicContact CG2-CG 4.01Å; T187-V210 HydrophobicContact CG2-CG1 4.36Å; T187-R211 HydrophobicContact CG2-CB 3.87Å; T187-K214 VanDerWaalsContact OG1-CE 3.23Å; T187-K214 WeakPolarHBondContact OG1-CE 3.22Å; T187-K214 PolarHBondContact OG1-NZ 2.91Å
188D97.6Very high97.4Very high71 Ų7137.4 Ų37.438%0.3819%0.191SC..Hα-helixtrans-66.5-36.2177.9-62.6-38.6000111.4R184 D185 M191 K192 R207R184-D188 PolarHBondContact O-N 3.03Å; R184-D188 VanDerWaalsContact O-N 3.1Å; D185-D188 PolarHBondContact O-N 2.66Å; D188-M191 WeakPolarHBondContact O-CB 3.44Å; D188-M191 PolarHBondContact O-N 2.85Å; D188-K192 PolarHBondContact O-N 2.8Å; D188-K192 VanDerWaalsContact O-N 3.11Å; D188-R207 IonicContact OD1-CZ 2.87Å; D188-R207 VanDerWaalsContact OD1-CZ 3.25Å; D188-R207 IonicContact OD1-NE 3.53Å; D188-R207 PolarHBondContact OD1-NE 2.73Å; D188-R207 IonicContact OD1-NH2 2.84Å; D188-R207 PolarHBondContact OD1-NH2 3.23Å; D188-R207 IonicContact OD2-CZ 3.45Å; D188-R207 IonicContact OD2-NH2 3.19Å; D188-R207 PolarHBondContact OD2-NH2 2.85Å
189Y98.3Very high97.4Very high9 Ų936 Ų364%0.03519%0.186CC..Hα-helixtrans-64.9-43.2171.8-175.3-134.2000112.7D185 T187 M191 K192 I193 R257 C258 A261 F267 L268D185-Y189 WeakPolarHBondContact O-CB 3.46Å; D185-Y189 PolarHBondContact O-N 3.05Å; T187-Y189 VanDerWaalsContact C-N 3.31Å; T187-Y189 PolarHBondContact O-N 3.08Å; Y189-M191 VanDerWaalsContact C-N 3.27Å; Y189-M191 PolarHBondContact O-N 3.43Å; Y189-K192 WeakPolarHBondContact O-CB 3.33Å; Y189-K192 PolarHBondContact O-N 3.31Å; Y189-K192 VanDerWaalsContact O-N 3.09Å; Y189-I193 HydrophobicContact CD2-CG2 4.04Å; Y189-I193 HydrophobicContact CE1-CD1 4.27Å; Y189-I193 HydrophobicContact CE1-CG2 4.34Å; Y189-I193 HydrophobicContact CE2-CG2 3.47Å; Y189-I193 VanDerWaalsContact CE2-CG2 3.47Å; Y189-I193 PolarHBondContact O-N 3.15Å; Y189-R257 WeakPolarHBondContact CE1-O 3.35Å; Y189-R257 PolarHBondContact OH-NE 3.1Å; Y189-C258 HydrophobicContact CD1-CB 4.46Å; Y189-A261 HydrophobicContact CD1-CB 4.09Å; Y189-A261 HydrophobicContact CE1-CB 4.17Å; Y189-F267 HydrophobicContact CE1-CB 4.47Å; Y189-L268 HydrophobicContact CD1-CD2 3.9Å; Y189-L268 HydrophobicContact CD2-CD2 3.4Å; Y189-L268 VanDerWaalsContact CD2-CD2 3.4Å; Y189-L268 HydrophobicContact CE2-CD2 4.15Å; Y189-L268 HydrophobicContact CG-CD2 3.27Å
190M98.4Very high97.3Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-58.6-41.7175.2-169.665175.700110.8L186 T187 K192 I193 L194 V210 I213 K214 I251 E254 C258L186-M190 VanDerWaalsContact O-CB 3.28Å; L186-M190 WeakPolarHBondContact O-CB 3.42Å; L186-M190 PolarHBondContact O-N 3.1Å; T187-M190 WeakPolarHBondContact O-CB 3.41Å; T187-M190 PolarHBondContact O-N 3.09Å; M190-K192 VanDerWaalsContact C-N 3.31Å; M190-K192 PolarHBondContact O-N 3.27Å; M190-I193 WeakPolarHBondContact O-CG1 3.28Å; M190-I193 PolarHBondContact O-N 3.16Å; M190-I193 HydrophobicContact SD-CD1 3.93Å; M190-I193 HydrophobicContact SD-CG1 4.16Å; M190-L194 HydrophobicContact CE-CD1 4.14Å; M190-L194 HydrophobicContact CE-CD2 4.11Å; M190-L194 HydrophobicContact CE-CG 4.16Å; M190-L194 HydrophobicContact CG-CD1 3.91Å; M190-L194 HydrophobicContact CG-CG 4.3Å; M190-L194 VanDerWaalsContact O-CB 3.31Å; M190-L194 WeakPolarHBondContact O-CB 3.38Å; M190-L194 WeakPolarHBondContact O-CG 3.41Å; M190-L194 PolarHBondContact O-N 3.22Å; M190-L194 HydrophobicContact SD-CG 4.47Å; M190-V210 HydrophobicContact CB-CG1 3.57Å; M190-V210 HydrophobicContact CG-CG1 3.5Å; M190-V210 VanDerWaalsContact CG-CG1 3.5Å; M190-I213 HydrophobicContact CE-CG2 3.71Å; M190-K214 HydrophobicContact CG-CB 4.41Å; M190-I251 HydrophobicContact CE-CG2 3.7Å; M190-E254 HydrophobicContact CE-CB 3.78Å; M190-E254 HydrophobicContact SD-CB 3.98Å; M190-C258 HydrophobicContact SD-CB 3.66Å
191M98Very high97.3Very high28 Ų2837.1 Ų37.114%0.13820%0.197CC..Hα-helixtrans-59.2-43.3174.8-68.7176.169.100111.6T187 D188 Y189 T195 F201 R207 V210T187-M191 WeakPolarHBondContact O-CG 3.28Å; T187-M191 PolarHBondContact O-N 3.44Å; D188-M191 WeakPolarHBondContact O-CB 3.44Å; D188-M191 PolarHBondContact O-N 2.85Å; Y189-M191 VanDerWaalsContact C-N 3.27Å; Y189-M191 PolarHBondContact O-N 3.43Å; M191-T195 WeakPolarHBondContact O-CB 3.4Å; M191-T195 PolarHBondContact O-N 3.01Å; M191-T195 PolarHBondContact O-OG1 2.74Å; M191-F201 HydrophobicContact CE-CB 4.11Å; M191-F201 WeakPolarHBondContact CE-O 3.28Å; M191-R207 HydrophobicContact CE-CB 4.24Å; M191-R207 HydrophobicContact SD-CB 3.79Å; M191-R207 HydrophobicContact SD-CG 3.6Å; M191-V210 HydrophobicContact CB-CG1 4.45Å; M191-V210 HydrophobicContact CG-CB 3.79Å; M191-V210 HydrophobicContact CG-CG1 3.63Å; M191-V210 HydrophobicContact CG-CG2 3.79Å
192K97.4Very high97Very high118 Ų11842.4 Ų42.451%0.51323%0.229SC..Hα-helixtrans-61.9-51.6178.3-178.7-176.3173.5-175.30111.8D188 Y189 M190 L194 T195 E196D188-K192 PolarHBondContact O-N 2.8Å; D188-K192 VanDerWaalsContact O-N 3.11Å; Y189-K192 WeakPolarHBondContact O-CB 3.33Å; Y189-K192 PolarHBondContact O-N 3.31Å; Y189-K192 VanDerWaalsContact O-N 3.09Å; M190-K192 VanDerWaalsContact C-N 3.31Å; M190-K192 PolarHBondContact O-N 3.27Å; K192-L194 PolarHBondContact O-N 3.13Å; K192-T195 WeakPolarHBondContact O-CB 3.46Å; K192-T195 PolarHBondContact O-N 3.23Å; K192-T195 VanDerWaalsContact O-N 3.12Å; K192-E196 PolarHBondContact O-N 3.09Å
193I97.5Very high96.8Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-73-27.1-177.165-177000112.8Y189 M190 T195 E196 R197 E254 C258Y189-I193 HydrophobicContact CD2-CG2 4.04Å; Y189-I193 HydrophobicContact CE1-CD1 4.27Å; Y189-I193 HydrophobicContact CE1-CG2 4.34Å; Y189-I193 HydrophobicContact CE2-CG2 3.47Å; Y189-I193 VanDerWaalsContact CE2-CG2 3.47Å; Y189-I193 PolarHBondContact O-N 3.15Å; M190-I193 WeakPolarHBondContact O-CG1 3.28Å; M190-I193 PolarHBondContact O-N 3.16Å; M190-I193 HydrophobicContact SD-CD1 3.93Å; M190-I193 HydrophobicContact SD-CG1 4.16Å; I193-T195 VanDerWaalsContact C-N 3.32Å; I193-E196 WeakPolarHBondContact O-CB 3.49Å; I193-E196 PolarHBondContact O-N 2.93Å; I193-R197 PolarHBondContact O-N 2.67Å; I193-E254 HydrophobicContact CB-CG 4.19Å; I193-E254 HydrophobicContact CD1-CB 3.67Å; I193-E254 HydrophobicContact CD1-CG 3.95Å; I193-E254 HydrophobicContact CG1-CB 3.94Å; I193-E254 HydrophobicContact CG1-CG 3.77Å; I193-C258 HydrophobicContact CD1-CB 3.96Å
194L98.2Very high96.4Very high0 Ų048.8 Ų48.80%027%0.268CS..Hα-helixtrans-66.7-36.5168.3-71.9173.5000111.7M190 K192 E196 R197 G198 Y199 F201 V210 I213 I251 E254M190-L194 HydrophobicContact CE-CD1 4.14Å; M190-L194 HydrophobicContact CE-CD2 4.11Å; M190-L194 HydrophobicContact CE-CG 4.16Å; M190-L194 HydrophobicContact CG-CD1 3.91Å; M190-L194 HydrophobicContact CG-CG 4.3Å; M190-L194 VanDerWaalsContact O-CB 3.31Å; M190-L194 WeakPolarHBondContact O-CB 3.38Å; M190-L194 WeakPolarHBondContact O-CG 3.41Å; M190-L194 PolarHBondContact O-N 3.22Å; M190-L194 HydrophobicContact SD-CG 4.47Å; K192-L194 PolarHBondContact O-N 3.13Å; L194-E196 VanDerWaalsContact C-N 3.35Å; L194-R197 WeakPolarHBondContact O-CB 3.4Å; L194-R197 PolarHBondContact O-N 2.81Å; L194-G198 PolarHBondContact O-N 3.34Å; L194-Y199 CarbonylContact C-O 3.51Å; L194-Y199 HydrophobicContact CD2-CD2 4.49Å; L194-Y199 PolarHBondContact O-N 3.21Å; L194-Y199 VanDerWaalsContact O-O 3.14Å; L194-F201 HydrophobicContact CB-CD2 4.31Å; L194-F201 HydrophobicContact CB-CE2 4.19Å; L194-F201 HydrophobicContact CD1-CD2 4.16Å; L194-F201 HydrophobicContact CD1-CE2 3.78Å; L194-V210 HydrophobicContact CD1-CG1 3.96Å; L194-V210 HydrophobicContact CD1-CG2 4.01Å; L194-I213 HydrophobicContact CD1-CD1 4.35Å; L194-I251 HydrophobicContact CD2-CD1 3.71Å; L194-I251 HydrophobicContact CD2-CG2 4.35Å; L194-E254 HydrophobicContact CD2-CB 4.48Å; L194-E254 HydrophobicContact CD2-CG 4.28Å
195T97.6Very high96.1Very high66 Ų6649.5 Ų49.541%0.40528%0.282SS..Hα-helixtrans-65.3-38.6174.1-57.70000111.3M191 K192 I193 R197 G198 Y199M191-T195 WeakPolarHBondContact O-CB 3.4Å; M191-T195 PolarHBondContact O-N 3.01Å; M191-T195 PolarHBondContact O-OG1 2.74Å; K192-T195 WeakPolarHBondContact O-CB 3.46Å; K192-T195 PolarHBondContact O-N 3.23Å; K192-T195 VanDerWaalsContact O-N 3.12Å; I193-T195 VanDerWaalsContact C-N 3.32Å; T195-R197 PolarHBondContact O-N 2.82Å; T195-G198 WeakPolarHBondContact O-CA 3.07Å; T195-G198 PolarHBondContact O-N 3.03Å; T195-Y199 WeakPolarHBondContact CA-O 3.4Å; T195-Y199 PolarHBondContact N-O 3.39Å
196E95.6Very high95.9Very high105 Ų10550.3 Ų50.349%0.49129%0.285SS..Hα-helixtrans-57.8-36.1173.2-66.9169.7-168.100112.1K192 I193 L194 G198 R257K192-E196 PolarHBondContact O-N 3.09Å; I193-E196 WeakPolarHBondContact O-CB 3.49Å; I193-E196 PolarHBondContact O-N 2.93Å; L194-E196 VanDerWaalsContact C-N 3.35Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-R257 IonicContact OE1-NH2 2.86Å; E196-R257 IonicContact OE2-CZ 2.75Å; E196-R257 IonicContact OE2-NH1 3.75Å; E196-R257 PolarHBondContact OE2-NH1 3.21Å; E196-R257 IonicContact OE2-NH2 3.43Å; E196-R257 PolarHBondContact OE2-NH2 2.91Å; E196-R257 VanDerWaalsContact OE2-NH2 3.09Å
197R93.2Very high95.7Very high89 Ų8952 Ų5234%0.33629%0.291SS..Hα-helixtrans-74.3-18.6174.8-167.4179.7-176.994.81.1113.4I193 L194 T195 Y199 E238 T250 E254I193-R197 PolarHBondContact O-N 2.67Å; L194-R197 WeakPolarHBondContact O-CB 3.4Å; L194-R197 PolarHBondContact O-N 2.81Å; T195-R197 PolarHBondContact O-N 2.82Å; R197-Y199 HydrophobicContact CB-CD2 4.49Å; R197-Y199 HydrophobicContact CG-CD2 4.37Å; R197-Y199 HydrophobicContact CG-CE2 4.22Å; R197-E238 IonicContact CZ-OE1 3.61Å; R197-E238 IonicContact NH2-OE1 3.84Å; R197-E238 PolarHBondContact NH2-OE1 2.79Å; R197-T250 PolarHBondContact NE-O 3.38Å; R197-E254 WeakPolarHBondContact CD-OE1 3.47Å; R197-E254 IonicContact NH1-OE1 2.75Å; R197-E254 IonicContact NH1-OE2 2.79Å
198G96.1Very high95.6Very high61 Ų6153.3 Ų53.363%0.62930%0.297SS*.THydrogen-bonded Turntrans108.95.9-178.100000115.1L194 T195 E196L194-G198 PolarHBondContact O-N 3.34Å; T195-G198 WeakPolarHBondContact O-CA 3.07Å; T195-G198 PolarHBondContact O-N 3.03Å; E196-G198 VanDerWaalsContact C-N 3.3Å
199Y96.3Very high95.6Very high61 Ų6151.5 Ų51.524%0.23929%0.287CS..  trans-100.7102.9173.4-56.2-54.3000110.3L194 T195 R197 I249 T250L194-Y199 CarbonylContact C-O 3.51Å; L194-Y199 HydrophobicContact CD2-CD2 4.49Å; L194-Y199 PolarHBondContact O-N 3.21Å; L194-Y199 VanDerWaalsContact O-O 3.14Å; T195-Y199 WeakPolarHBondContact CA-O 3.4Å; T195-Y199 PolarHBondContact N-O 3.39Å; R197-Y199 HydrophobicContact CB-CD2 4.49Å; R197-Y199 HydrophobicContact CG-CD2 4.37Å; R197-Y199 HydrophobicContact CG-CE2 4.22Å; Y199-I249 HydrophobicContact CD1-CB 4.33Å; Y199-I249 HydrophobicContact CD1-CG2 3.87Å; Y199-I249 HydrophobicContact CD2-CB 4.41Å; Y199-I249 HydrophobicContact CD2-CD1 4.44Å; Y199-I249 HydrophobicContact CE1-CB 3.92Å; Y199-I249 HydrophobicContact CE1-CG2 3.61Å; Y199-I249 HydrophobicContact CE2-CB 3.99Å; Y199-I249 HydrophobicContact CG-CG2 4.45Å; Y199-T250 WeakPolarHBondContact CE2-O 3.45Å; Y199-T250 PolarHBondContact OH-N 2.72Å
200S95.4Very high95.6Very high74 Ų7451.1 Ų51.152%0.51729%0.286SS..  trans-93126.4-178.6-163.80000111.5
201F96Very high95.5Very high17 Ų1754.6 Ų54.68%0.07530%0.299CS..  trans-120.3115.8173.8-63.7-81.8000106.6M191 L194 E206 I209 V210 I213 L243 I249M191-F201 HydrophobicContact CE-CB 4.11Å; M191-F201 WeakPolarHBondContact CE-O 3.28Å; L194-F201 HydrophobicContact CB-CD2 4.31Å; L194-F201 HydrophobicContact CB-CE2 4.19Å; L194-F201 HydrophobicContact CD1-CD2 4.16Å; L194-F201 HydrophobicContact CD1-CE2 3.78Å; F201-E206 HydrophobicContact CB-CB 3.91Å; F201-E206 HydrophobicContact CD1-CB 3.86Å; F201-E206 HydrophobicContact CD1-CG 4.16Å; F201-E206 HydrophobicContact CG-CB 4.38Å; F201-I209 HydrophobicContact CE1-CG2 4.33Å; F201-V210 HydrophobicContact CB-CG2 3.79Å; F201-V210 HydrophobicContact CD1-CG2 3.91Å; F201-V210 HydrophobicContact CD2-CG2 3.44Å; F201-V210 VanDerWaalsContact CD2-CG2 3.44Å; F201-V210 HydrophobicContact CE1-CG2 4.34Å; F201-V210 HydrophobicContact CE2-CG2 3.94Å; F201-V210 HydrophobicContact CG-CG2 3.42Å; F201-V210 VanDerWaalsContact CG-CG2 3.42Å; F201-V210 HydrophobicContact CZ-CG2 4.35Å; F201-I213 HydrophobicContact CZ-CD1 4.3Å; F201-L243 HydrophobicContact CE1-CD2 4.03Å; F201-L243 HydrophobicContact CZ-CD2 4.13Å; F201-I249 HydrophobicContact CZ-CD1 3.95Å
202T93.6Very high95.5Very high110 Ų11055 Ų5568%0.67530%0.302SS*.  trans-119.6-24.1-168.861.10000113.3E206T202-E206 PolarHBondContact N-OE2 2.77Å; T202-E206 PolarHBondContact OG1-OE2 2.89Å
203T92.4Very high95.6Very high66 Ų6649.4 Ų49.441%0.40528%0.277SS..SBendtrans-92.9160.1-177.269.80000112.2A205 E206 R207T203-A205 PolarHBondContact O-N 3.47Å; T203-E206 PolarHBondContact N-OE2 3.28Å; T203-E206 PolarHBondContact O-N 2.79Å; T203-E206 WeakPolarHBondContact OG1-CB 3.31Å; T203-E206 VanDerWaalsContact OG1-CD 3.31Å; T203-E206 VanDerWaalsContact OG1-CG 3.23Å; T203-E206 WeakPolarHBondContact OG1-CG 3.48Å; T203-E206 PolarHBondContact OG1-N 2.97Å; T203-E206 VanDerWaalsContact OG1-N 3.13Å; T203-E206 PolarHBondContact OG1-OE2 3.47Å; T203-E206 VanDerWaalsContact OG1-OE2 3.04Å; T203-R207 PolarHBondContact O-N 2.86Å
204T89.6Confident95.6Very high70 Ų7049.6 Ų49.643%0.42928%0.278SS..THydrogen-bonded Turntrans-65.3-19.8174.7550000113.6R63R63-T204 WeakPolarHBondContact CD-O 3.34Å; R63-T204 PolarHBondContact NH1-O 3.19Å
205A90.9Very high95.6Very high53 Ų5354.8 Ų54.844%0.43830%0.302SS..THydrogen-bonded Turntrans-81.5-44.6175.200000110.5T203 R207 E208 I209T203-A205 PolarHBondContact O-N 3.47Å; A205-R207 VanDerWaalsContact C-N 3.25Å; A205-R207 PolarHBondContact O-N 3.11Å; A205-E208 WeakPolarHBondContact O-CB 3.4Å; A205-E208 PolarHBondContact O-N 3.01Å; A205-I209 PolarHBondContact O-N 3.26Å
206E94.8Very high95.7Very high59 Ų5958.2 Ų58.228%0.27631%0.312SS..Hα-helixtrans-60.3-34.4172.8-77.7167.416400112.6F201 T202 T203 E208 I209 V210F201-E206 HydrophobicContact CB-CB 3.91Å; F201-E206 HydrophobicContact CD1-CB 3.86Å; F201-E206 HydrophobicContact CD1-CG 4.16Å; F201-E206 HydrophobicContact CG-CB 4.38Å; T202-E206 PolarHBondContact N-OE2 2.77Å; T202-E206 PolarHBondContact OG1-OE2 2.89Å; T203-E206 PolarHBondContact N-OE2 3.28Å; T203-E206 PolarHBondContact O-N 2.79Å; T203-E206 WeakPolarHBondContact OG1-CB 3.31Å; T203-E206 VanDerWaalsContact OG1-CD 3.31Å; T203-E206 VanDerWaalsContact OG1-CG 3.23Å; T203-E206 WeakPolarHBondContact OG1-CG 3.48Å; T203-E206 PolarHBondContact OG1-N 2.97Å; T203-E206 VanDerWaalsContact OG1-N 3.13Å; T203-E206 PolarHBondContact OG1-OE2 3.47Å; T203-E206 VanDerWaalsContact OG1-OE2 3.04Å; E206-E208 PolarHBondContact O-N 2.75Å; E206-I209 HydrophobicContact CG-CD1 4.47Å; E206-I209 WeakPolarHBondContact O-CA 3.43Å; E206-I209 VanDerWaalsContact O-CB 3.3Å; E206-I209 WeakPolarHBondContact O-CB 3.31Å; E206-I209 PolarHBondContact O-N 2.77Å; E206-V210 PolarHBondContact O-N 2.85Å
207R95.3Very high95.8Very high34 Ų3454.5 Ų54.513%0.12830%0.295CS..Hα-helixtrans-54.6-34.9171-178174.9-167.7-70.1-3.6113.2R184 T187 D188 M191 T203 A205 V210 R211R184-R207 PolarHBondContact O-NH2 2.85Å; T187-R207 HydrophobicContact CG2-CG 4.01Å; D188-R207 IonicContact OD1-CZ 2.87Å; D188-R207 VanDerWaalsContact OD1-CZ 3.25Å; D188-R207 IonicContact OD1-NE 3.53Å; D188-R207 PolarHBondContact OD1-NE 2.73Å; D188-R207 IonicContact OD1-NH2 2.84Å; D188-R207 PolarHBondContact OD1-NH2 3.23Å; D188-R207 IonicContact OD2-CZ 3.45Å; D188-R207 IonicContact OD2-NH2 3.19Å; D188-R207 PolarHBondContact OD2-NH2 2.85Å; M191-R207 HydrophobicContact CE-CB 4.24Å; M191-R207 HydrophobicContact SD-CB 3.79Å; M191-R207 HydrophobicContact SD-CG 3.6Å; T203-R207 PolarHBondContact O-N 2.86Å; A205-R207 VanDerWaalsContact C-N 3.25Å; A205-R207 PolarHBondContact O-N 3.11Å; R207-V210 PolarHBondContact O-N 2.85Å; R207-R211 PolarHBondContact O-N 3.06Å
208E95Very high96.1Very high29 Ų2950.4 Ų50.414%0.13628%0.28CS..Hα-helixtrans-73.6-31.6177.6-63-64.9150.800112.2Q60 R63 A205 E206 V210 R211 D212Q60-E208 VanDerWaalsContact NE2-CD 3.29Å; Q60-E208 PolarHBondContact NE2-OE2 3.41Å; R63-E208 IonicContact CZ-OE1 3.61Å; R63-E208 IonicContact NH1-OE1 3Å; R63-E208 PolarHBondContact NH1-OE1 2.94Å; R63-E208 IonicContact NH2-OE1 3.53Å; R63-E208 PolarHBondContact NH2-OE1 2.93Å; A205-E208 WeakPolarHBondContact O-CB 3.4Å; A205-E208 PolarHBondContact O-N 3.01Å; E206-E208 PolarHBondContact O-N 2.75Å; E208-V210 VanDerWaalsContact C-N 3.3Å; E208-R211 WeakPolarHBondContact O-CB 3.17Å; E208-R211 PolarHBondContact O-N 3.27Å; E208-R211 IonicContact OE2-CZ 3.65Å; E208-R211 IonicContact OE2-NE 3.34Å; E208-R211 PolarHBondContact OE2-NE 3.16Å; E208-R211 IonicContact OE2-NH2 2.79Å; E208-R211 PolarHBondContact OE2-NH2 3.36Å; E208-D212 PolarHBondContact O-N 3.42Å
209I97.1Very high96.2Very high33 Ų3349.1 Ų49.117%0.16926%0.256CS..Hα-helixtrans-61.8-44.7169.9-54.7173.4000109F201 A205 E206 R211 D212 I213 Y241 L243 P244F201-I209 HydrophobicContact CE1-CG2 4.33Å; A205-I209 PolarHBondContact O-N 3.26Å; E206-I209 HydrophobicContact CG-CD1 4.47Å; E206-I209 WeakPolarHBondContact O-CA 3.43Å; E206-I209 VanDerWaalsContact O-CB 3.3Å; E206-I209 WeakPolarHBondContact O-CB 3.31Å; E206-I209 PolarHBondContact O-N 2.77Å; I209-R211 VanDerWaalsContact C-N 3.34Å; I209-R211 PolarHBondContact O-N 2.94Å; I209-D212 PolarHBondContact O-N 3.13Å; I209-D212 VanDerWaalsContact O-N 3.16Å; I209-I213 HydrophobicContact CG2-CD1 4.1Å; I209-I213 HydrophobicContact CG2-CG1 4.49Å; I209-I213 VanDerWaalsContact O-CG1 3.32Å; I209-I213 WeakPolarHBondContact O-CG1 3.14Å; I209-I213 PolarHBondContact O-N 3.47Å; I209-Y241 HydrophobicContact CG2-CE1 3.83Å; I209-L243 HydrophobicContact CG2-CD2 3.68Å; I209-P244 HydrophobicContact CD1-CG 3.83Å; I209-P244 HydrophobicContact CG1-CG 4.2Å
210V98.3Very high96.3Very high0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-65-37.4177.6178.70000112.4T187 M190 M191 L194 F201 E206 R207 E208 D212 I213 K214T187-V210 HydrophobicContact CG2-CG1 4.36Å; M190-V210 HydrophobicContact CB-CG1 3.57Å; M190-V210 HydrophobicContact CG-CG1 3.5Å; M190-V210 VanDerWaalsContact CG-CG1 3.5Å; M191-V210 HydrophobicContact CB-CG1 4.45Å; M191-V210 HydrophobicContact CG-CB 3.79Å; M191-V210 HydrophobicContact CG-CG1 3.63Å; M191-V210 HydrophobicContact CG-CG2 3.79Å; L194-V210 HydrophobicContact CD1-CG1 3.96Å; L194-V210 HydrophobicContact CD1-CG2 4.01Å; F201-V210 HydrophobicContact CB-CG2 3.79Å; F201-V210 HydrophobicContact CD1-CG2 3.91Å; F201-V210 HydrophobicContact CD2-CG2 3.44Å; F201-V210 VanDerWaalsContact CD2-CG2 3.44Å; F201-V210 HydrophobicContact CE1-CG2 4.34Å; F201-V210 HydrophobicContact CE2-CG2 3.94Å; F201-V210 HydrophobicContact CG-CG2 3.42Å; F201-V210 VanDerWaalsContact CG-CG2 3.42Å; F201-V210 HydrophobicContact CZ-CG2 4.35Å; E206-V210 PolarHBondContact O-N 2.85Å; R207-V210 PolarHBondContact O-N 2.85Å; E208-V210 VanDerWaalsContact C-N 3.3Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 2.91Å; V210-I213 PolarHBondContact O-N 3.48Å; V210-K214 WeakPolarHBondContact O-CB 3.43Å; V210-K214 PolarHBondContact O-N 3.35Å
211R97.8Very high96.4Very high73 Ų7342.9 Ų42.928%0.27522%0.222SC..Hα-helixtrans-59.5-44.7171.5-172.1-176.364.278.13.3111.4T187 R207 E208 I209 K214 E215T187-R211 HydrophobicContact CG2-CB 3.87Å; R207-R211 PolarHBondContact O-N 3.06Å; E208-R211 WeakPolarHBondContact O-CB 3.17Å; E208-R211 PolarHBondContact O-N 3.27Å; E208-R211 IonicContact OE2-CZ 3.65Å; E208-R211 IonicContact OE2-NE 3.34Å; E208-R211 PolarHBondContact OE2-NE 3.16Å; E208-R211 IonicContact OE2-NH2 2.79Å; E208-R211 PolarHBondContact OE2-NH2 3.36Å; I209-R211 VanDerWaalsContact C-N 3.34Å; I209-R211 PolarHBondContact O-N 2.94Å; R211-K214 WeakPolarHBondContact O-CB 3.3Å; R211-K214 PolarHBondContact O-N 3.32Å; R211-E215 WeakPolarHBondContact CG-OE1 3.25Å; R211-E215 IonicContact CZ-OE1 3.09Å; R211-E215 IonicContact NH1-OE1 2.64Å; R211-E215 PolarHBondContact NH1-OE1 2.96Å; R211-E215 IonicContact NH1-OE2 3.66Å; R211-E215 PolarHBondContact NH1-OE2 3.2Å; R211-E215 WeakPolarHBondContact O-CG 3.28Å; R211-E215 PolarHBondContact O-N 3.47Å
212D98Very high96.6Very high37 Ų3746.5 Ų46.520%0.19824%0.241CC..Hα-helixtrans-66.8-41.7178.8-175.376.9000112.3E208 I209 V210 K214 E215 K216 Y241E208-D212 PolarHBondContact O-N 3.42Å; I209-D212 PolarHBondContact O-N 3.13Å; I209-D212 VanDerWaalsContact O-N 3.16Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 2.91Å; D212-K214 VanDerWaalsContact C-N 3.31Å; D212-K214 PolarHBondContact O-N 3.44Å; D212-E215 PolarHBondContact O-N 3.35Å; D212-K216 VanDerWaalsContact CG-NZ 3.26Å; D212-K216 WeakPolarHBondContact O-CB 3.3Å; D212-K216 WeakPolarHBondContact O-CG 3.44Å; D212-K216 PolarHBondContact O-N 3.42Å; D212-K216 WeakPolarHBondContact OD1-CE 3.37Å; D212-K216 IonicContact OD1-NZ 2.71Å; D212-K216 PolarHBondContact OD1-NZ 2.82Å; D212-K216 WeakPolarHBondContact OD2-CD 3.45Å; D212-K216 VanDerWaalsContact OD2-CE 3.29Å; D212-K216 WeakPolarHBondContact OD2-CE 3.42Å; D212-K216 IonicContact OD2-NZ 3.69Å; D212-K216 PolarHBondContact OD2-NZ 3.46Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.28Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.42Å; D212-Y241 VanDerWaalsContact OD2-CZ 3.31Å; D212-Y241 PolarHBondContact OD2-OH 2.9Å
213I98.5Very high96.8Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-55.1-50.1170.7-69.3167.5000109.9M190 L194 F201 I209 V210 E215 K216 L217 Y241 I249 I251M190-I213 HydrophobicContact CE-CG2 3.71Å; L194-I213 HydrophobicContact CD1-CD1 4.35Å; F201-I213 HydrophobicContact CZ-CD1 4.3Å; I209-I213 HydrophobicContact CG2-CD1 4.1Å; I209-I213 HydrophobicContact CG2-CG1 4.49Å; I209-I213 VanDerWaalsContact O-CG1 3.32Å; I209-I213 WeakPolarHBondContact O-CG1 3.14Å; I209-I213 PolarHBondContact O-N 3.47Å; V210-I213 PolarHBondContact O-N 3.48Å; I213-E215 PolarHBondContact O-N 3.05Å; I213-K216 PolarHBondContact O-N 3.45Å; I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 PolarHBondContact O-N 2.91Å; I213-Y241 HydrophobicContact CB-CD2 4.45Å; I213-Y241 HydrophobicContact CB-CE2 4.43Å; I213-Y241 HydrophobicContact CD1-CD1 3.99Å; I213-Y241 HydrophobicContact CD1-CE1 4.13Å; I213-Y241 HydrophobicContact CD1-CG 4.3Å; I213-Y241 HydrophobicContact CG1-CD1 3.7Å; I213-Y241 HydrophobicContact CG1-CD2 3.63Å; I213-Y241 HydrophobicContact CG1-CE1 3.7Å; I213-Y241 HydrophobicContact CG1-CE2 3.61Å; I213-Y241 HydrophobicContact CG1-CG 3.67Å; I213-I249 HydrophobicContact CD1-CD1 4.03Å; I213-I251 HydrophobicContact CD1-CD1 4.47Å; I213-I251 HydrophobicContact CG2-CD1 4.08Å; I213-I251 HydrophobicContact CG2-CG1 3.98Å; I213-I251 HydrophobicContact CG2-CG2 4.41Å
214K98.5Very high97Very high5 Ų541.6 Ų41.62%0.02221%0.208CC..Hα-helixtrans-59-48.3-179.8179.4-167.566.8130.60111.3G183 L186 T187 M190 V210 R211 D212 C218 Y307G183-K214 PolarHBondContact O-NZ 3.33Å; L186-K214 HydrophobicContact CB-CD 3.89Å; T187-K214 VanDerWaalsContact OG1-CE 3.23Å; T187-K214 WeakPolarHBondContact OG1-CE 3.22Å; T187-K214 PolarHBondContact OG1-NZ 2.91Å; M190-K214 HydrophobicContact CG-CB 4.41Å; V210-K214 WeakPolarHBondContact O-CB 3.43Å; V210-K214 PolarHBondContact O-N 3.35Å; R211-K214 WeakPolarHBondContact O-CB 3.3Å; R211-K214 PolarHBondContact O-N 3.32Å; D212-K214 VanDerWaalsContact C-N 3.31Å; D212-K214 PolarHBondContact O-N 3.44Å; K214-C218 WeakPolarHBondContact O-CB 3.28Å; K214-C218 PolarHBondContact O-N 3.45Å; K214-Y307 VanDerWaalsContact CD-OH 3.31Å; K214-Y307 WeakPolarHBondContact CD-OH 3.24Å; K214-Y307 HydrophobicContact CG-CE1 4.33Å; K214-Y307 VanDerWaalsContact CG-OH 3.31Å; K214-Y307 WeakPolarHBondContact CG-OH 3.2Å
215E98.2Very high97.4Very high109 Ų10944.5 Ų44.551%0.50922%0.216SC..Hα-helixtrans-69-35.1-178.2-73.5174.1-16200113R211 D212 I213R211-E215 WeakPolarHBondContact CG-OE1 3.25Å; R211-E215 IonicContact CZ-OE1 3.09Å; R211-E215 IonicContact NH1-OE1 2.64Å; R211-E215 PolarHBondContact NH1-OE1 2.96Å; R211-E215 IonicContact NH1-OE2 3.66Å; R211-E215 PolarHBondContact NH1-OE2 3.2Å; R211-E215 WeakPolarHBondContact O-CG 3.28Å; R211-E215 PolarHBondContact O-N 3.47Å; D212-E215 PolarHBondContact O-N 3.35Å; I213-E215 PolarHBondContact O-N 3.05Å
216K98.3Very high97.8Very high138 Ų13848.4 Ų48.460%0.623%0.226SC*.Hα-helixtrans-83.8-36.3-178-73.5178.1179.3159.10114.2D212 I213 Y241D212-K216 VanDerWaalsContact CG-NZ 3.26Å; D212-K216 WeakPolarHBondContact O-CB 3.3Å; D212-K216 WeakPolarHBondContact O-CG 3.44Å; D212-K216 PolarHBondContact O-N 3.42Å; D212-K216 WeakPolarHBondContact OD1-CE 3.37Å; D212-K216 IonicContact OD1-NZ 2.71Å; D212-K216 PolarHBondContact OD1-NZ 2.82Å; D212-K216 WeakPolarHBondContact OD2-CD 3.45Å; D212-K216 VanDerWaalsContact OD2-CE 3.29Å; D212-K216 WeakPolarHBondContact OD2-CE 3.42Å; D212-K216 IonicContact OD2-NZ 3.69Å; D212-K216 PolarHBondContact OD2-NZ 3.46Å; I213-K216 PolarHBondContact O-N 3.45Å; K216-Y241 HydrophobicContact CD-CE2 4.31Å
217L98.5Very high97.9Very high26 Ų2647.7 Ų47.714%0.13622%0.223CC..Hα-helixtrans-112.5-23.1-165.5-59.3-173.1000114.4I213 K239 Y241 I251 R255I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 PolarHBondContact O-N 2.91Å; L217-K239 HydrophobicContact CD1-CB 4.2Å; L217-K239 HydrophobicContact CD2-CB 4.17Å; L217-Y241 HydrophobicContact CD1-CD2 4.04Å; L217-Y241 HydrophobicContact CD1-CG 4.45Å; L217-I251 HydrophobicContact CD1-CB 4.27Å; L217-I251 HydrophobicContact CD1-CG1 3.78Å; L217-R255 HydrophobicContact CB-CG 4.37Å; L217-R255 PolarHBondContact O-NE 2.96Å; L217-R255 PolarHBondContact O-NH2 3.46Å
218C98.7Very high98Very high4 Ų448.6 Ų48.63%0.02723%0.229CC..  trans-76.8152.7-177.2-67.40000113.1K214 R255 P259 Y307K214-C218 WeakPolarHBondContact O-CB 3.28Å; K214-C218 PolarHBondContact O-N 3.45Å; C218-R255 CarbonylContact C-O 3.59Å; C218-R255 WeakPolarHBondContact CA-O 3.47Å; C218-R255 WeakPolarHBondContact CB-O 3.48Å; C218-R255 PolarHBondContact SG-O 3.1Å; C218-R255 VanDerWaalsContact SG-O 3.34Å; C218-P259 HydrophobicContact CB-CG 4.28Å; C218-Y307 HydrophobicContact CB-CD1 3.92Å; C218-Y307 HydrophobicContact CB-CE1 3.63Å
219Y98.7Very high98.1Very high33 Ų3349.2 Ų49.213%0.12924%0.243CC..  trans-153.1160177.666.5-81.4000109.5E227 R255 F256 P259Y219-E227 PolarHBondContact OH-OE1 3.34Å; Y219-R255 HydrophobicContact CD1-CB 4.09Å; Y219-R255 HydrophobicContact CE1-CB 3.84Å; Y219-R255 PolarHBondContact N-O 2.95Å; Y219-F256 HydrophobicContact CD2-CB 4.39Å; Y219-F256 HydrophobicContact CE1-CB 4.23Å; Y219-F256 HydrophobicContact CE1-CD1 4.29Å; Y219-F256 HydrophobicContact CE2-CB 4.03Å; Y219-F256 AromaticContact CZ-CD1 3.87Å; Y219-F256 VanDerWaalsContact O-CA 3.24Å; Y219-F256 WeakPolarHBondContact O-CA 3.49Å; Y219-F256 WeakPolarHBondContact O-CB 3.38Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.08Å; Y219-P259 WeakPolarHBondContact O-CG 3.35Å
220V98.8Very high98.1Very high4 Ų450.2 Ų50.22%0.02425%0.251CS..  trans-93.4123.5176.4173.60000109.1P259 F263 Y307 P308 I310 R313V220-P259 HydrophobicContact CG2-CB 3.91Å; V220-P259 HydrophobicContact CG2-CG 4.26Å; V220-F263 HydrophobicContact CG1-CD2 4.44Å; V220-F263 HydrophobicContact CG1-CE2 3.66Å; V220-F263 HydrophobicContact CG1-CZ 4.07Å; V220-F263 HydrophobicContact CG2-CE2 4.09Å; V220-Y307 HydrophobicContact CG2-CG 4.41Å; V220-P308 PolarHBondContact N-O 3.26Å; V220-I310 HydrophobicContact CB-CB 4.3Å; V220-I310 HydrophobicContact CG2-CB 3.92Å; V220-I310 HydrophobicContact CG2-CG1 4.09Å; V220-R313 HydrophobicContact CG1-CB 3.48Å; V220-R313 VanDerWaalsContact CG1-CB 3.48Å; V220-R313 HydrophobicContact CG1-CG 3.65Å
221A98.5Very high98Very high1 Ų151.5 Ų51.51%0.00826%0.261CS..  trans-71.3141.8172.700000110.7E227 F256 R313A221-E227 HydrophobicContact CB-CB 3.78Å; A221-E227 HydrophobicContact CB-CG 3.86Å; A221-F256 HydrophobicContact CB-CB 4.15Å; A221-F256 HydrophobicContact CB-CD2 4.22Å; A221-F256 HydrophobicContact CB-CG 4.37Å; A221-R313 WeakPolarHBondContact O-CD 3.41Å; A221-R313 PolarHBondContact O-NH1 3.09Å
222L98.5Very high97.9Very high92 Ų9252.4 Ų52.448%0.48228%0.284SS..SBendtrans-71.6-34.8175.2-17664.1000111.7D312 R313 K316L222-D312 HydrophobicContact CD1-CB 4.31Å; L222-R313 WeakPolarHBondContact O-CD 3.46Å; L222-K316 HydrophobicContact CD1-CB 4.07Å; L222-K316 HydrophobicContact CD1-CD 3.81Å; L222-K316 HydrophobicContact CG-CD 4.13Å; L222-K316 WeakPolarHBondContact O-CD 3.28Å; L222-K316 PolarHBondContact O-NZ 3.48Å
223D98.2Very high97.7Very high58 Ų5855.4 Ų55.431%0.3131%0.308SS..SBendtrans-134.3105.2173.7-166-61.7000108.8E225 Q226 E227 K316D223-E225 PolarHBondContact O-N 2.7Å; D223-E225 PolarHBondContact OD1-N 3.1Å; D223-Q226 HydrophobicContact CB-CB 3.91Å; D223-Q226 PolarHBondContact O-N 2.95Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.31Å; D223-Q226 PolarHBondContact OD1-N 3.43Å; D223-E227 WeakPolarHBondContact O-CB 3.49Å; D223-E227 PolarHBondContact O-N 3.37Å; D223-K316 IonicContact OD2-NZ 2.83Å; D223-K316 PolarHBondContact OD2-NZ 3.41Å
224F98Very high97.5Very high15 Ų1557.9 Ų57.97%0.06633%0.326CS..Hα-helixtrans-62.1-44-172.3176.7-102.5000112.4E227 M228 F256 R257 E260 F267F224-E227 PolarHBondContact O-N 3.39Å; F224-M228 HydrophobicContact CD1-CG 4.32Å; F224-M228 HydrophobicContact CE1-CG 3.82Å; F224-M228 HydrophobicContact CE2-CG 4.04Å; F224-M228 HydrophobicContact CE2-SD 4.33Å; F224-M228 HydrophobicContact CZ-CG 3.67Å; F224-M228 HydrophobicContact CZ-SD 4.05Å; F224-M228 WeakPolarHBondContact O-CB 3.32Å; F224-M228 WeakPolarHBondContact O-CG 3.38Å; F224-M228 PolarHBondContact O-N 2.93Å; F224-F256 AromaticContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CE2 4.21Å; F224-F256 AromaticContact CE2-CD2 3.92Å; F224-F256 HydrophobicContact CE2-CD2 3.92Å; F224-F256 HydrophobicContact CE2-CE2 4Å; F224-R257 HydrophobicContact CE2-CB 4.31Å; F224-R257 HydrophobicContact CE2-CG 4.44Å; F224-R257 HydrophobicContact CZ-CG 4.39Å; F224-E260 HydrophobicContact CB-CG 4.42Å; F224-E260 HydrophobicContact CD1-CG 4.33Å; F224-E260 HydrophobicContact CD2-CB 3.82Å; F224-E260 HydrophobicContact CD2-CG 3.47Å; F224-E260 VanDerWaalsContact CD2-CG 3.47Å; F224-E260 HydrophobicContact CE2-CB 3.85Å; F224-E260 HydrophobicContact CE2-CG 3.74Å; F224-E260 HydrophobicContact CG-CG 3.8Å; F224-E260 HydrophobicContact CZ-CG 4.28Å; F224-F267 HydrophobicContact CE1-CE2 4.15Å; F224-F267 AromaticContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE2-CE2 4.26Å; F224-F267 AromaticContact CZ-CE2 3.73Å; F224-F267 HydrophobicContact CZ-CE2 3.73Å; F224-F267 AromaticContact CZ-CZ 3.83Å; F224-F267 HydrophobicContact CZ-CZ 3.83Å
225E97.8Very high97.3Very high131 Ų13161.7 Ų61.761%0.61235%0.353SS*.Hα-helixtrans-69-40.6-177.6-64-57.3146.500111.6D223 M228 G229D223-E225 PolarHBondContact O-N 2.7Å; D223-E225 PolarHBondContact OD1-N 3.1Å; E225-M228 PolarHBondContact O-N 3.46Å; E225-G229 PolarHBondContact O-N 3.41Å
226Q97.6Very high97.1Very high136 Ų13660.1 Ų60.164%0.63636%0.358SS*.Hα-helixtrans-63.1-43.2174.6-174.5-177-5.500111.9D223 G229 T230D223-Q226 HydrophobicContact CB-CB 3.91Å; D223-Q226 PolarHBondContact O-N 2.95Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.31Å; D223-Q226 PolarHBondContact OD1-N 3.43Å; Q226-G229 PolarHBondContact O-N 3.05Å; Q226-T230 PolarHBondContact O-N 2.83Å; Q226-T230 PolarHBondContact O-OG1 2.82Å
227E97.7Very high97Very high44 Ų4454.8 Ų54.821%0.20634%0.336CS..Hα-helixtrans-65.9-39.2178.5-160.696.2-151.400110.8Y219 A221 D223 F224 T230 A231 L237 F256Y219-E227 PolarHBondContact OH-OE1 3.34Å; A221-E227 HydrophobicContact CB-CB 3.78Å; A221-E227 HydrophobicContact CB-CG 3.86Å; D223-E227 WeakPolarHBondContact O-CB 3.49Å; D223-E227 PolarHBondContact O-N 3.37Å; F224-E227 PolarHBondContact O-N 3.39Å; E227-T230 PolarHBondContact O-N 3.03Å; E227-A231 WeakPolarHBondContact O-CB 3.27Å; E227-A231 PolarHBondContact O-N 3.14Å; E227-L237 HydrophobicContact CG-CD1 3.92Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.22Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.41Å; E227-F256 HydrophobicContact CB-CD2 4.17Å; E227-F256 HydrophobicContact CB-CE1 4.46Å; E227-F256 HydrophobicContact CB-CE2 3.86Å; E227-F256 HydrophobicContact CB-CZ 4.01Å; E227-F256 HydrophobicContact CG-CD1 3.71Å; E227-F256 HydrophobicContact CG-CD2 3.91Å; E227-F256 HydrophobicContact CG-CE1 3.6Å; E227-F256 HydrophobicContact CG-CE2 3.81Å; E227-F256 HydrophobicContact CG-CG 3.86Å; E227-F256 HydrophobicContact CG-CZ 3.65Å
228M97.6Very high96.9Very high53 Ų5357.1 Ų57.126%0.26135%0.346SS..Hα-helixtrans-58.9-45.1171.7-80.9-57.7-63.600112.4F224 E225 T230 A231 A232 N253 F256F224-M228 HydrophobicContact CD1-CG 4.32Å; F224-M228 HydrophobicContact CE1-CG 3.82Å; F224-M228 HydrophobicContact CE2-CG 4.04Å; F224-M228 HydrophobicContact CE2-SD 4.33Å; F224-M228 HydrophobicContact CZ-CG 3.67Å; F224-M228 HydrophobicContact CZ-SD 4.05Å; F224-M228 WeakPolarHBondContact O-CB 3.32Å; F224-M228 WeakPolarHBondContact O-CG 3.38Å; F224-M228 PolarHBondContact O-N 2.93Å; E225-M228 PolarHBondContact O-N 3.46Å; M228-T230 VanDerWaalsContact C-N 3.31Å; M228-T230 PolarHBondContact O-N 3.22Å; M228-A231 PolarHBondContact O-N 3.07Å; M228-A232 PolarHBondContact O-N 3.2Å; M228-N253 HydrophobicContact SD-CB 4.1Å; M228-F256 HydrophobicContact CG-CE2 3.84Å; M228-F256 HydrophobicContact CG-CZ 4.35Å; M228-F256 HydrophobicContact SD-CE2 3.58Å; M228-F256 VanDerWaalsContact SD-CE2 3.58Å; M228-F256 HydrophobicContact SD-CZ 3.81Å
229G97.6Very high96.9Very high42 Ų4261.8 Ų61.843%0.43337%0.366SS..Hα-helixtrans-62.8-36.8175.700000113.1E225 Q226 A232 S233E225-G229 PolarHBondContact O-N 3.41Å; Q226-G229 PolarHBondContact O-N 3.05Å; G229-A232 PolarHBondContact O-N 3.27Å; G229-S233 PolarHBondContact O-N 3Å; G229-S233 PolarHBondContact O-OG 2.88Å
230T96.9Very high96.8Very high54 Ų5464.2 Ų64.233%0.33139%0.388SS..Hα-helixtrans-67.8-45175.6-57.10000111.1Q226 E227 M228 A232 S233 S234 L237Q226-T230 PolarHBondContact O-N 2.83Å; Q226-T230 PolarHBondContact O-OG1 2.82Å; E227-T230 PolarHBondContact O-N 3.03Å; M228-T230 VanDerWaalsContact C-N 3.31Å; M228-T230 PolarHBondContact O-N 3.22Å; T230-A232 VanDerWaalsContact C-N 3.26Å; T230-A232 PolarHBondContact O-N 2.87Å; T230-S233 PolarHBondContact O-N 3.03Å; T230-S233 VanDerWaalsContact O-N 3.13Å; T230-S233 PolarHBondContact O-OG 3.1Å; T230-S234 WeakPolarHBondContact O-CB 3.4Å; T230-S234 PolarHBondContact O-N 2.92Å; T230-L237 HydrophobicContact CG2-CD1 4.01Å; T230-L237 HydrophobicContact CG2-CG 4.34Å
231A95.8Very high96.8Very high26 Ų2665.4 Ų65.422%0.21539%0.392CS..Hα-helixtrans-63.5-30.5177.500000113.2E227 M228 S233 L237 N253 F256E227-A231 WeakPolarHBondContact O-CB 3.27Å; E227-A231 PolarHBondContact O-N 3.14Å; M228-A231 PolarHBondContact O-N 3.07Å; A231-S233 VanDerWaalsContact C-N 3.31Å; A231-L237 HydrophobicContact CB-CD1 4.05Å; A231-N253 HydrophobicContact CB-CB 3.89Å; A231-F256 HydrophobicContact CB-CE1 4.05Å; A231-F256 HydrophobicContact CB-CZ 3.92Å
232A95.4Very high96.8Very high92 Ų9271.9 Ų71.976%0.7642%0.422SS*.Hα-helixtrans-72.9-22.8176.300000113.3M228 G229 T230M228-A232 PolarHBondContact O-N 3.2Å; G229-A232 PolarHBondContact O-N 3.27Å; T230-A232 VanDerWaalsContact C-N 3.26Å; T230-A232 PolarHBondContact O-N 2.87Å
233S95Very high96.7Very high101 Ų10168.3 Ų68.371%0.70640%0.404SS*.Hα-helixtrans-112.2-11.7-174.456.80000114.3G229 T230 A231G229-S233 PolarHBondContact O-N 3Å; G229-S233 PolarHBondContact O-OG 2.88Å; T230-S233 PolarHBondContact O-N 3.03Å; T230-S233 VanDerWaalsContact O-N 3.13Å; T230-S233 PolarHBondContact O-OG 3.1Å; A231-S233 VanDerWaalsContact C-N 3.31Å
234S93.1Very high96.5Very high52 Ų5270.8 Ų70.836%0.36442%0.423SS..  trans-146.7139.5-173-178.60000112T230 A236T230-S234 WeakPolarHBondContact O-CB 3.4Å; T230-S234 PolarHBondContact O-N 2.92Å; S234-A236 PolarHBondContact O-N 3.3Å; S234-A236 WeakPolarHBondContact OG-CB 3.42Å; S234-A236 PolarHBondContact OG-N 2.92Å; S234-A236 VanDerWaalsContact OG-N 3.09Å
235S93.9Very high96.3Very high84 Ų8475.8 Ų75.859%0.58745%0.45SS*.G310 helixtrans-82.83.4170.162.40000113.2L237 E238S235-L237 PolarHBondContact O-N 2.95Å; S235-L237 VanDerWaalsContact O-N 3.1Å; S235-E238 WeakPolarHBondContact CB-OE2 3.3Å; S235-E238 WeakPolarHBondContact O-CB 3.41Å; S235-E238 PolarHBondContact O-N 2.66Å
236A94.6Very high96.2Very high76 Ų7671.5 Ų71.563%0.62844%0.442SS*.G310 helixtrans-60.5-24.1-176.700000113.7S234S234-A236 PolarHBondContact O-N 3.3Å; S234-A236 WeakPolarHBondContact OG-CB 3.42Å; S234-A236 PolarHBondContact OG-N 2.92Å; S234-A236 VanDerWaalsContact OG-N 3.09Å
237L95.5Very high96.1Very high27 Ų2770 Ų7014%0.14144%0.435CS..G310 helixtrans-88.5-8.2177.9-56.8-178.1000113E227 T230 A231 S235 R255 F256E227-L237 HydrophobicContact CG-CD1 3.92Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.22Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.41Å; T230-L237 HydrophobicContact CG2-CD1 4.01Å; T230-L237 HydrophobicContact CG2-CG 4.34Å; A231-L237 HydrophobicContact CB-CD1 4.05Å; S235-L237 PolarHBondContact O-N 2.95Å; S235-L237 VanDerWaalsContact O-N 3.1Å; L237-R255 WeakPolarHBondContact O-CD 3.38Å; L237-R255 PolarHBondContact O-NH1 2.8Å; L237-F256 HydrophobicContact CD1-CE1 3.99Å
238E97.4Very high96.1Very high74 Ų7471.9 Ų71.935%0.34645%0.449SS..  trans-73.2146.4-179.9-60.8-168.8140.100111.8R197 S235 T250 I251R197-E238 IonicContact CZ-OE1 3.61Å; R197-E238 IonicContact NH2-OE1 3.84Å; R197-E238 PolarHBondContact NH2-OE1 2.79Å; S235-E238 WeakPolarHBondContact CB-OE2 3.3Å; S235-E238 WeakPolarHBondContact O-CB 3.41Å; S235-E238 PolarHBondContact O-N 2.66Å; E238-T250 HydrophobicContact CB-CG2 3.72Å; E238-T250 HydrophobicContact CG-CG2 4.08Å; E238-I251 CarbonylContact C-O 3.53Å; E238-I251 WeakPolarHBondContact CA-O 3.47Å
239K98Very high96.1Very high103 Ų10369.4 Ų69.445%0.44844%0.437SS..EExtended strand (participates in β ladder)trans-133.4141170.7-68.2-65.8178.4-171.60110.4L217 I251L217-K239 HydrophobicContact CD1-CB 4.2Å; L217-K239 HydrophobicContact CD2-CB 4.17Å; K239-I251 PolarHBondContact N-O 2.96Å; K239-I251 PolarHBondContact O-N 3.21Å
240S97.6Very high96.1Very high84 Ų8469.3 Ų69.359%0.58743%0.428SS*.EExtended strand (participates in β ladder)trans-80.9147.3171.7-57.20000110.9I249S240-I249 CarbonylContact C-O 3.6Å; S240-I249 VanDerWaalsContact CA-O 3.3Å; S240-I249 WeakPolarHBondContact CA-O 3.3Å
241Y98.2Very high96.2Very high29 Ų2966.7 Ų66.711%0.11441%0.412CS..EExtended strand (participates in β ladder)trans-134132.6171.6-175.5-86.3000109I209 D212 I213 K216 L217 L243 V248 I249I209-Y241 HydrophobicContact CG2-CE1 3.83Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.28Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.42Å; D212-Y241 VanDerWaalsContact OD2-CZ 3.31Å; D212-Y241 PolarHBondContact OD2-OH 2.9Å; I213-Y241 HydrophobicContact CB-CD2 4.45Å; I213-Y241 HydrophobicContact CB-CE2 4.43Å; I213-Y241 HydrophobicContact CD1-CD1 3.99Å; I213-Y241 HydrophobicContact CD1-CE1 4.13Å; I213-Y241 HydrophobicContact CD1-CG 4.3Å; I213-Y241 HydrophobicContact CG1-CD1 3.7Å; I213-Y241 HydrophobicContact CG1-CD2 3.63Å; I213-Y241 HydrophobicContact CG1-CE1 3.7Å; I213-Y241 HydrophobicContact CG1-CE2 3.61Å; I213-Y241 HydrophobicContact CG1-CG 3.67Å; K216-Y241 HydrophobicContact CD-CE2 4.31Å; L217-Y241 HydrophobicContact CD1-CD2 4.04Å; L217-Y241 HydrophobicContact CD1-CG 4.45Å; Y241-L243 HydrophobicContact CD1-CD2 3.97Å; Y241-L243 HydrophobicContact CE1-CD2 4Å; Y241-V248 CarbonylContact O-C 3.38Å; Y241-V248 WeakPolarHBondContact O-CA 3.39Å; Y241-I249 PolarHBondContact N-O 2.6Å; Y241-I249 PolarHBondContact O-N 3.38Å
242E98.1Very high96.3Very high136 Ų13665.6 Ų65.664%0.63640%0.403SS*.EExtended strand (participates in β ladder)trans-93.2118.3177.5-172.4178165.100109.7V248E242-V248 HydrophobicContact CB-CG2 4.42Å; E242-V248 HydrophobicContact CG-CG2 4.36Å
243L96.7Very high96.4Very high17 Ų1763.1 Ų63.19%0.08938%0.377CS..  trans-73.6159.3175.9-61.9177.3000110.6F201 I209 Y241 D245 G246 Q247 I249F201-L243 HydrophobicContact CE1-CD2 4.03Å; F201-L243 HydrophobicContact CZ-CD2 4.13Å; I209-L243 HydrophobicContact CG2-CD2 3.68Å; Y241-L243 HydrophobicContact CD1-CD2 3.97Å; Y241-L243 HydrophobicContact CE1-CD2 4Å; L243-D245 VanDerWaalsContact CB-OD1 3.29Å; L243-D245 WeakPolarHBondContact CB-OD1 3.35Å; L243-D245 PolarHBondContact O-N 3.22Å; L243-G246 PolarHBondContact O-N 2.94Å; L243-Q247 HydrophobicContact CB-CB 4.44Å; L243-Q247 WeakPolarHBondContact CB-O 3.25Å; L243-Q247 HydrophobicContact CD1-CB 4.15Å; L243-Q247 HydrophobicContact CD1-CG 4.34Å; L243-Q247 WeakPolarHBondContact CG-O 3.48Å; L243-Q247 PolarHBondContact N-O 2.79Å; L243-I249 HydrophobicContact CD1-CD1 4.42Å; L243-I249 HydrophobicContact CD1-CG2 3.73Å; L243-I249 HydrophobicContact CD2-CD1 3.9Å; L243-I249 HydrophobicContact CD2-CG1 4.33Å; L243-I249 HydrophobicContact CG-CD1 4.31Å; L243-I249 HydrophobicContact CG-CG1 4.31Å; L243-I249 HydrophobicContact CG-CG2 4.25Å
244P93.9Very high96.5Very high110 Ų11058.7 Ų58.771%0.71435%0.345SS*.THydrogen-bonded Turntrans-59-18.7-178.8-26.936.3000115.7I209 G246I209-P244 HydrophobicContact CD1-CG 3.83Å; I209-P244 HydrophobicContact CG1-CG 4.2Å; P244-G246 VanDerWaalsContact C-N 3.34Å
245D94.1Very high96.8Very high120 Ų12057.7 Ų57.764%0.64233%0.333SS*.THydrogen-bonded Turntrans-89.11.7175.263.9-1.1000113.5L243 Q247L243-D245 VanDerWaalsContact CB-OD1 3.29Å; L243-D245 WeakPolarHBondContact CB-OD1 3.35Å; L243-D245 PolarHBondContact O-N 3.22Å; D245-Q247 VanDerWaalsContact C-N 3.35Å; D245-Q247 VanDerWaalsContact OD1-CB 3.26Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.29Å; D245-Q247 PolarHBondContact OD1-N 2.79Å
246G95.5Very high97Very high42 Ų4253.7 Ų53.743%0.43331%0.305SS..SBendtrans86.6-2.6-177.500000114.3L243 P244 V248L243-G246 PolarHBondContact O-N 2.94Å; P244-G246 VanDerWaalsContact C-N 3.34Å; G246-V248 PolarHBondContact O-N 3.06Å
247Q96.2Very high97.2Very high104 Ų10453 Ų5349%0.48629%0.286SS..  trans-69.3127.3175.2-179.2-179.72.200110.1L243 D245 I249L243-Q247 HydrophobicContact CB-CB 4.44Å; L243-Q247 WeakPolarHBondContact CB-O 3.25Å; L243-Q247 HydrophobicContact CD1-CB 4.15Å; L243-Q247 HydrophobicContact CD1-CG 4.34Å; L243-Q247 WeakPolarHBondContact CG-O 3.48Å; L243-Q247 PolarHBondContact N-O 2.79Å; D245-Q247 VanDerWaalsContact C-N 3.35Å; D245-Q247 VanDerWaalsContact OD1-CB 3.26Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.29Å; D245-Q247 PolarHBondContact OD1-N 2.79Å; Q247-I249 HydrophobicContact CG-CG2 4.29Å
248V97.7Very high97.3Very high83 Ų8351.7 Ų51.750%0.50328%0.28SS..EExtended strand (participates in β ladder)trans-93.2122.7174.5-177.60000109.9Y241 E242 G246Y241-V248 CarbonylContact O-C 3.38Å; Y241-V248 WeakPolarHBondContact O-CA 3.39Å; E242-V248 HydrophobicContact CB-CG2 4.42Å; E242-V248 HydrophobicContact CG-CG2 4.36Å; G246-V248 PolarHBondContact O-N 3.06Å
249I97.5Very high97.4Very high1 Ų148.1 Ų48.11%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-110.9156175.263.2169.5000110.9Y199 F201 I213 S240 Y241 L243 Q247 I251Y199-I249 HydrophobicContact CD1-CB 4.33Å; Y199-I249 HydrophobicContact CD1-CG2 3.87Å; Y199-I249 HydrophobicContact CD2-CB 4.41Å; Y199-I249 HydrophobicContact CD2-CD1 4.44Å; Y199-I249 HydrophobicContact CE1-CB 3.92Å; Y199-I249 HydrophobicContact CE1-CG2 3.61Å; Y199-I249 HydrophobicContact CE2-CB 3.99Å; Y199-I249 HydrophobicContact CG-CG2 4.45Å; F201-I249 HydrophobicContact CZ-CD1 3.95Å; I213-I249 HydrophobicContact CD1-CD1 4.03Å; S240-I249 CarbonylContact C-O 3.6Å; S240-I249 VanDerWaalsContact CA-O 3.3Å; S240-I249 WeakPolarHBondContact CA-O 3.3Å; Y241-I249 PolarHBondContact N-O 2.6Å; Y241-I249 PolarHBondContact O-N 3.38Å; L243-I249 HydrophobicContact CD1-CD1 4.42Å; L243-I249 HydrophobicContact CD1-CG2 3.73Å; L243-I249 HydrophobicContact CD2-CD1 3.9Å; L243-I249 HydrophobicContact CD2-CG1 4.33Å; L243-I249 HydrophobicContact CG-CD1 4.31Å; L243-I249 HydrophobicContact CG-CG1 4.31Å; L243-I249 HydrophobicContact CG-CG2 4.25Å; Q247-I249 HydrophobicContact CG-CG2 4.29Å; I249-I251 HydrophobicContact CD1-CD1 3.68Å; I249-I251 HydrophobicContact CG1-CD1 3.98Å
250T97.8Very high97.4Very high40 Ų4043.2 Ų43.225%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-109.1122.7-179.7-59.90000110.3R197 Y199 E238R197-T250 PolarHBondContact NE-O 3.38Å; Y199-T250 WeakPolarHBondContact CE2-O 3.45Å; Y199-T250 PolarHBondContact OH-N 2.72Å; E238-T250 HydrophobicContact CB-CG2 3.72Å; E238-T250 HydrophobicContact CG-CG2 4.08Å
251I98.2Very high97.5Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-103.1120.5176.7-40.4-58.9000108.1M190 L194 I213 L217 E238 K239 I249 E254 R255M190-I251 HydrophobicContact CE-CG2 3.7Å; L194-I251 HydrophobicContact CD2-CD1 3.71Å; L194-I251 HydrophobicContact CD2-CG2 4.35Å; I213-I251 HydrophobicContact CD1-CD1 4.47Å; I213-I251 HydrophobicContact CG2-CD1 4.08Å; I213-I251 HydrophobicContact CG2-CG1 3.98Å; I213-I251 HydrophobicContact CG2-CG2 4.41Å; L217-I251 HydrophobicContact CD1-CB 4.27Å; L217-I251 HydrophobicContact CD1-CG1 3.78Å; E238-I251 CarbonylContact C-O 3.53Å; E238-I251 WeakPolarHBondContact CA-O 3.47Å; K239-I251 PolarHBondContact N-O 2.96Å; K239-I251 PolarHBondContact O-N 3.21Å; I249-I251 HydrophobicContact CD1-CD1 3.68Å; I249-I251 HydrophobicContact CG1-CD1 3.98Å; I251-E254 HydrophobicContact CG2-CB 4.05Å; I251-R255 HydrophobicContact CB-CG 4.15Å; I251-R255 HydrophobicContact CG2-CG 3.66Å
252G97.6Very high97.5Very high3 Ų337.9 Ų37.93%0.03121%0.209CC..  trans-105-117.9-176.300000112.2E254 R255G252-E254 VanDerWaalsContact C-OE2 3.22Å; G252-E254 VanDerWaalsContact CA-OE2 3.26Å; G252-E254 WeakPolarHBondContact CA-OE2 3.29Å; G252-E254 PolarHBondContact N-OE2 3.31Å; G252-E254 PolarHBondContact O-N 3.49Å; G252-E254 VanDerWaalsContact O-N 3.16Å; G252-R255 WeakPolarHBondContact O-CB 3.27Å; G252-R255 VanDerWaalsContact O-CG 3.23Å; G252-R255 WeakPolarHBondContact O-CG 3.28Å; G252-R255 PolarHBondContact O-N 2.9Å
253N97.6Very high97.5Very high39 Ų3931.7 Ų31.721%0.20918%0.179CC..THydrogen-bonded Turntrans-65.5-16.1-177.66934.9000113.6M228 A231 R255 F256 R257M228-N253 HydrophobicContact SD-CB 4.1Å; A231-N253 HydrophobicContact CB-CB 3.89Å; N253-R255 PolarHBondContact O-N 2.91Å; N253-R255 VanDerWaalsContact O-N 3.08Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.4Å; N253-F256 HydrophobicContact CB-CZ 3.61Å; N253-F256 PolarHBondContact O-N 3.46Å; N253-F256 VanDerWaalsContact O-N 3.09Å; N253-R257 WeakPolarHBondContact O-CB 3.41Å; N253-R257 PolarHBondContact O-N 3.22Å
254E98.1Very high97.6Very high8 Ų833.9 Ų33.94%0.03719%0.189CC..Hα-helixtrans-57.3-27.6175.6-55.679.8-170.100111.1M190 I193 L194 R197 I251 G252 F256 C258M190-E254 HydrophobicContact CE-CB 3.78Å; M190-E254 HydrophobicContact SD-CB 3.98Å; I193-E254 HydrophobicContact CB-CG 4.19Å; I193-E254 HydrophobicContact CD1-CB 3.67Å; I193-E254 HydrophobicContact CD1-CG 3.95Å; I193-E254 HydrophobicContact CG1-CB 3.94Å; I193-E254 HydrophobicContact CG1-CG 3.77Å; L194-E254 HydrophobicContact CD2-CB 4.48Å; L194-E254 HydrophobicContact CD2-CG 4.28Å; R197-E254 WeakPolarHBondContact CD-OE1 3.47Å; R197-E254 IonicContact NH1-OE1 2.75Å; R197-E254 IonicContact NH1-OE2 2.79Å; I251-E254 HydrophobicContact CG2-CB 4.05Å; G252-E254 VanDerWaalsContact C-OE2 3.22Å; G252-E254 VanDerWaalsContact CA-OE2 3.26Å; G252-E254 WeakPolarHBondContact CA-OE2 3.29Å; G252-E254 PolarHBondContact N-OE2 3.31Å; G252-E254 PolarHBondContact O-N 3.49Å; G252-E254 VanDerWaalsContact O-N 3.16Å; E254-F256 VanDerWaalsContact C-N 3.33Å; E254-F256 PolarHBondContact O-N 3.43Å; E254-C258 WeakPolarHBondContact O-CB 3.35Å; E254-C258 PolarHBondContact O-N 3.3Å; E254-C258 VanDerWaalsContact O-N 3.08Å
255R98.5Very high97.8Very high31 Ų3128.8 Ų28.812%0.11716%0.156CC..Hα-helixtrans-57.1-40.7176.6-64.2178.965.7-137.7-10.9113L217 C218 Y219 L237 I251 G252 N253 P259L217-R255 HydrophobicContact CB-CG 4.37Å; L217-R255 PolarHBondContact O-NE 2.96Å; L217-R255 PolarHBondContact O-NH2 3.46Å; C218-R255 CarbonylContact C-O 3.59Å; C218-R255 WeakPolarHBondContact CA-O 3.47Å; C218-R255 WeakPolarHBondContact CB-O 3.48Å; C218-R255 PolarHBondContact SG-O 3.1Å; C218-R255 VanDerWaalsContact SG-O 3.34Å; Y219-R255 HydrophobicContact CD1-CB 4.09Å; Y219-R255 HydrophobicContact CE1-CB 3.84Å; Y219-R255 PolarHBondContact N-O 2.95Å; L237-R255 WeakPolarHBondContact O-CD 3.38Å; L237-R255 PolarHBondContact O-NH1 2.8Å; I251-R255 HydrophobicContact CB-CG 4.15Å; I251-R255 HydrophobicContact CG2-CG 3.66Å; G252-R255 WeakPolarHBondContact O-CB 3.27Å; G252-R255 VanDerWaalsContact O-CG 3.23Å; G252-R255 WeakPolarHBondContact O-CG 3.28Å; G252-R255 PolarHBondContact O-N 2.9Å; N253-R255 PolarHBondContact O-N 2.91Å; N253-R255 VanDerWaalsContact O-N 3.08Å; R255-P259 WeakPolarHBondContact O-CD 3.36Å
256F98.5Very high97.9Very high0 Ų026.7 Ų26.70%015%0.151CC..Hα-helixtrans-109.2-22.3179.663.7-94.8000113.6Y219 A221 F224 E227 M228 A231 L237 N253 E254 P259 E260Y219-F256 HydrophobicContact CD2-CB 4.39Å; Y219-F256 HydrophobicContact CE1-CB 4.23Å; Y219-F256 HydrophobicContact CE1-CD1 4.29Å; Y219-F256 HydrophobicContact CE2-CB 4.03Å; Y219-F256 AromaticContact CZ-CD1 3.87Å; Y219-F256 VanDerWaalsContact O-CA 3.24Å; Y219-F256 WeakPolarHBondContact O-CA 3.49Å; Y219-F256 WeakPolarHBondContact O-CB 3.38Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.08Å; A221-F256 HydrophobicContact CB-CB 4.15Å; A221-F256 HydrophobicContact CB-CD2 4.22Å; A221-F256 HydrophobicContact CB-CG 4.37Å; F224-F256 AromaticContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CE2 4.21Å; F224-F256 AromaticContact CE2-CD2 3.92Å; F224-F256 HydrophobicContact CE2-CD2 3.92Å; F224-F256 HydrophobicContact CE2-CE2 4Å; E227-F256 HydrophobicContact CB-CD2 4.17Å; E227-F256 HydrophobicContact CB-CE1 4.46Å; E227-F256 HydrophobicContact CB-CE2 3.86Å; E227-F256 HydrophobicContact CB-CZ 4.01Å; E227-F256 HydrophobicContact CG-CD1 3.71Å; E227-F256 HydrophobicContact CG-CD2 3.91Å; E227-F256 HydrophobicContact CG-CE1 3.6Å; E227-F256 HydrophobicContact CG-CE2 3.81Å; E227-F256 HydrophobicContact CG-CG 3.86Å; E227-F256 HydrophobicContact CG-CZ 3.65Å; M228-F256 HydrophobicContact CG-CE2 3.84Å; M228-F256 HydrophobicContact CG-CZ 4.35Å; M228-F256 HydrophobicContact SD-CE2 3.58Å; M228-F256 VanDerWaalsContact SD-CE2 3.58Å; M228-F256 HydrophobicContact SD-CZ 3.81Å; A231-F256 HydrophobicContact CB-CE1 4.05Å; A231-F256 HydrophobicContact CB-CZ 3.92Å; L237-F256 HydrophobicContact CD1-CE1 3.99Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.4Å; N253-F256 HydrophobicContact CB-CZ 3.61Å; N253-F256 PolarHBondContact O-N 3.46Å; N253-F256 VanDerWaalsContact O-N 3.09Å; E254-F256 VanDerWaalsContact C-N 3.33Å; E254-F256 PolarHBondContact O-N 3.43Å; F256-P259 WeakPolarHBondContact O-CD 3.41Å; F256-E260 PolarHBondContact O-N 2.87Å
257R98.1Very high97.9Very high61 Ų6127.2 Ų27.223%0.2314%0.142CC..Hα-helixtrans-66.9-37.4173.4-173.1177.1170.7-146-5.1112.6Y189 E196 F224 N253 E260 F267Y189-R257 WeakPolarHBondContact CE1-O 3.35Å; Y189-R257 PolarHBondContact OH-NE 3.1Å; E196-R257 IonicContact OE1-NH2 2.86Å; E196-R257 IonicContact OE2-CZ 2.75Å; E196-R257 IonicContact OE2-NH1 3.75Å; E196-R257 PolarHBondContact OE2-NH1 3.21Å; E196-R257 IonicContact OE2-NH2 3.43Å; E196-R257 PolarHBondContact OE2-NH2 2.91Å; E196-R257 VanDerWaalsContact OE2-NH2 3.09Å; F224-R257 HydrophobicContact CE2-CB 4.31Å; F224-R257 HydrophobicContact CE2-CG 4.44Å; F224-R257 HydrophobicContact CZ-CG 4.39Å; N253-R257 WeakPolarHBondContact O-CB 3.41Å; N253-R257 PolarHBondContact O-N 3.22Å; R257-E260 WeakPolarHBondContact O-CB 3.2Å; R257-E260 PolarHBondContact O-N 3.35Å; R257-F267 HydrophobicContact CG-CE2 4.49Å
258C98.7Very high97.9Very high0 Ų024.7 Ų24.70%013%0.131CC..Hα-helixtrans-58.6-61176.9174.90000112.7L186 Y189 M190 I193 E254 E260 A261L186-C258 WeakPolarHBondContact CD2-O 3.25Å; L186-C258 PolarHBondContact O-SG 2.98Å; Y189-C258 HydrophobicContact CD1-CB 4.46Å; M190-C258 HydrophobicContact SD-CB 3.66Å; I193-C258 HydrophobicContact CD1-CB 3.96Å; E254-C258 WeakPolarHBondContact O-CB 3.35Å; E254-C258 PolarHBondContact O-N 3.3Å; E254-C258 VanDerWaalsContact O-N 3.08Å; C258-E260 PolarHBondContact O-N 3.29Å; C258-A261 WeakPolarHBondContact O-CB 3.19Å; C258-A261 PolarHBondContact O-N 2.79Å
259P98.6Very high97.8Very high0 Ų024 Ų240%014%0.141CC..Hα-helixtrans-69.3-16.2-179.129-36.8000113.7C218 Y219 V220 R255 F256 A261 L262 Y307C218-P259 HydrophobicContact CB-CG 4.28Å; Y219-P259 WeakPolarHBondContact O-CG 3.35Å; V220-P259 HydrophobicContact CG2-CB 3.91Å; V220-P259 HydrophobicContact CG2-CG 4.26Å; R255-P259 WeakPolarHBondContact O-CD 3.36Å; F256-P259 WeakPolarHBondContact O-CD 3.41Å; P259-A261 PolarHBondContact O-N 3.17Å; P259-L262 WeakPolarHBondContact O-CB 3.32Å; P259-L262 PolarHBondContact O-N 3.43Å; P259-Y307 HydrophobicContact CB-CD1 4.3Å; P259-Y307 HydrophobicContact CB-CD2 3.83Å; P259-Y307 HydrophobicContact CB-CE1 4.3Å; P259-Y307 HydrophobicContact CB-CE2 3.84Å; P259-Y307 HydrophobicContact CB-CG 4.08Å
260E98.7Very high97.8Very high0 Ų026.6 Ų26.60%015%0.154CC..Hα-helixtrans-57.4-27.8171.6-172.363.7-161.500111.8F224 F256 R257 C258 L262 F263 Q264 F267 R313F224-E260 HydrophobicContact CB-CG 4.42Å; F224-E260 HydrophobicContact CD1-CG 4.33Å; F224-E260 HydrophobicContact CD2-CB 3.82Å; F224-E260 HydrophobicContact CD2-CG 3.47Å; F224-E260 VanDerWaalsContact CD2-CG 3.47Å; F224-E260 HydrophobicContact CE2-CB 3.85Å; F224-E260 HydrophobicContact CE2-CG 3.74Å; F224-E260 HydrophobicContact CG-CG 3.8Å; F224-E260 HydrophobicContact CZ-CG 4.28Å; F256-E260 PolarHBondContact O-N 2.87Å; R257-E260 WeakPolarHBondContact O-CB 3.2Å; R257-E260 PolarHBondContact O-N 3.35Å; C258-E260 PolarHBondContact O-N 3.29Å; E260-L262 PolarHBondContact O-N 3.42Å; E260-L262 VanDerWaalsContact O-N 3.08Å; E260-F263 CarbonylContact O-C 3.6Å; E260-F263 WeakPolarHBondContact O-CA 3.43Å; E260-F263 PolarHBondContact O-N 3.41Å; E260-Q264 HydrophobicContact CG-CG 4.34Å; E260-Q264 PolarHBondContact O-N 2.93Å; E260-Q264 PolarHBondContact OE1-NE2 2.85Å; E260-F267 HydrophobicContact CB-CD2 4.4Å; E260-F267 HydrophobicContact CB-CE2 3.99Å; E260-F267 HydrophobicContact CG-CD2 4.36Å; E260-F267 HydrophobicContact CG-CE2 3.66Å; E260-F267 HydrophobicContact CG-CZ 4.28Å; E260-R313 IonicContact OE1-CZ 3.09Å; E260-R313 IonicContact OE1-NH1 2.95Å; E260-R313 IonicContact OE1-NH2 3.01Å; E260-R313 PolarHBondContact OE1-NH2 3.11Å; E260-R313 IonicContact OE2-CZ 3.96Å; E260-R313 IonicContact OE2-NH1 3.24Å; E260-R313 PolarHBondContact OE2-NH1 3.3Å; E260-R313 IonicContact OE2-NH2 3.23Å
261A98.4Very high97.7Very high0 Ų034.7 Ų34.70%019%0.189CC..THydrogen-bonded Turntrans-57.6-25.5175.800000113.3L181 L186 Y189 C258 P259 F263 Q264 P265 F267 L268L181-A261 VanDerWaalsContact CD2-O 3.28Å; L181-A261 WeakPolarHBondContact CD2-O 3.45Å; L186-A261 HydrophobicContact CD2-CB 3.79Å; Y189-A261 HydrophobicContact CD1-CB 4.09Å; Y189-A261 HydrophobicContact CE1-CB 4.17Å; C258-A261 WeakPolarHBondContact O-CB 3.19Å; C258-A261 PolarHBondContact O-N 2.79Å; P259-A261 PolarHBondContact O-N 3.17Å; A261-F263 VanDerWaalsContact C-N 3.27Å; A261-F263 PolarHBondContact O-N 2.83Å; A261-Q264 CarbonylContact O-C 3.59Å; A261-Q264 PolarHBondContact O-N 2.92Å; A261-P265 WeakPolarHBondContact O-CA 3.32Å; A261-P265 VanDerWaalsContact O-N 3.12Å; A261-F267 HydrophobicContact CB-CB 4.32Å; A261-L268 HydrophobicContact CB-CD1 3.98Å; A261-L268 HydrophobicContact CB-CD2 4.34Å; A261-L268 HydrophobicContact CB-CG 3.98Å
262L98.7Very high97.7Very high1 Ų136.6 Ų36.61%0.00520%0.204CC..THydrogen-bonded Turntrans-64.7-32.2171.6-68172.4000112.3L181 L186 P259 E260 G274 I275 Y307L181-L262 HydrophobicContact CG-CD2 4.25Å; L186-L262 HydrophobicContact CD1-CD1 4Å; L186-L262 HydrophobicContact CD1-CD2 4.08Å; L186-L262 HydrophobicContact CD1-CG 3.91Å; L186-L262 HydrophobicContact CD2-CG 4.37Å; P259-L262 WeakPolarHBondContact O-CB 3.32Å; P259-L262 PolarHBondContact O-N 3.43Å; E260-L262 PolarHBondContact O-N 3.42Å; E260-L262 VanDerWaalsContact O-N 3.08Å; L262-G274 CarbonylContact O-C 3.57Å; L262-G274 WeakPolarHBondContact O-CA 3.5Å; L262-I275 HydrophobicContact CB-CD1 3.94Å; L262-I275 HydrophobicContact CB-CG1 4.21Å; L262-I275 HydrophobicContact CB-CG2 4.24Å; L262-I275 HydrophobicContact CD1-CD1 4.48Å; L262-I275 HydrophobicContact CD2-CG2 4.39Å; L262-I275 PolarHBondContact O-N 3.14Å; L262-Y307 HydrophobicContact CD1-CD2 4.35Å; L262-Y307 HydrophobicContact CD1-CE2 4.19Å
263F98.7Very high97.7Very high5 Ų538.4 Ų38.42%0.02222%0.217CC..THydrogen-bonded Turntrans-90.8-28.8177.2-63-94.5000111.5V220 E260 A261 G274 I275 H276 I310 R313 M314 E317V220-F263 HydrophobicContact CG1-CD2 4.44Å; V220-F263 HydrophobicContact CG1-CE2 3.66Å; V220-F263 HydrophobicContact CG1-CZ 4.07Å; V220-F263 HydrophobicContact CG2-CE2 4.09Å; E260-F263 CarbonylContact O-C 3.6Å; E260-F263 WeakPolarHBondContact O-CA 3.43Å; E260-F263 PolarHBondContact O-N 3.41Å; A261-F263 VanDerWaalsContact C-N 3.27Å; A261-F263 PolarHBondContact O-N 2.83Å; F263-G274 WeakPolarHBondContact O-CA 3.24Å; F263-I275 HydrophobicContact CD1-CG1 4.24Å; F263-I275 HydrophobicContact CE1-CD1 4.12Å; F263-I275 HydrophobicContact CE1-CG1 4.06Å; F263-I275 HydrophobicContact CE2-CD1 3.98Å; F263-I275 HydrophobicContact CE2-CG1 4.48Å; F263-I275 HydrophobicContact CG-CG1 4.49Å; F263-I275 HydrophobicContact CZ-CD1 3.75Å; F263-I275 HydrophobicContact CZ-CG1 4.2Å; F263-H276 HydrophobicContact CD1-CB 4.28Å; F263-H276 AromaticContact CD1-CG 3.99Å; F263-H276 AromaticContact CD1-ND1 3.41Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.31Å; F263-H276 HydrophobicContact CE1-CB 4.35Å; F263-H276 PolarHBondContact O-CE1 2.87Å; F263-H276 VanDerWaalsContact O-CE1 3.31Å; F263-I310 HydrophobicContact CE2-CG1 4.35Å; F263-I310 HydrophobicContact CZ-CG1 4.06Å; F263-R313 HydrophobicContact CD1-CG 4.03Å; F263-R313 HydrophobicContact CE1-CB 4.29Å; F263-R313 HydrophobicContact CE1-CG 3.48Å; F263-R313 VanDerWaalsContact CE1-CG 3.48Å; F263-R313 HydrophobicContact CE2-CG 4.11Å; F263-R313 HydrophobicContact CZ-CB 4.01Å; F263-R313 HydrophobicContact CZ-CG 3.52Å; F263-M314 HydrophobicContact CE1-CG 4.28Å; F263-M314 HydrophobicContact CE1-SD 3.78Å; F263-M314 HydrophobicContact CZ-CG 4.23Å; F263-M314 HydrophobicContact CZ-SD 4.16Å; F263-E317 HydrophobicContact CD1-CG 4.37Å; F263-E317 HydrophobicContact CE1-CG 4.47Å
264Q98.1Very high97.7Very high63 Ų6336.6 Ų36.629%0.29421%0.207SC..  trans-13078179.5-58-171.116.300111.1E260 A261 S266 F267E260-Q264 HydrophobicContact CG-CG 4.34Å; E260-Q264 PolarHBondContact O-N 2.93Å; E260-Q264 PolarHBondContact OE1-NE2 2.85Å; A261-Q264 CarbonylContact O-C 3.59Å; A261-Q264 PolarHBondContact O-N 2.92Å; Q264-S266 PolarHBondContact O-N 2.78Å; Q264-F267 HydrophobicContact CB-CD1 4.26Å; Q264-F267 HydrophobicContact CB-CE1 4.28Å; Q264-F267 HydrophobicContact CB-CG 4.45Å; Q264-F267 HydrophobicContact CB-CZ 4.47Å; Q264-F267 WeakPolarHBondContact O-CB 3.24Å; Q264-F267 PolarHBondContact O-N 2.89Å
265P98.4Very high97.7Very high3 Ų336.3 Ų36.32%0.01921%0.206CC..G310 helixtrans-57.8-19.7-179.6-27.436.8000114.2L181 A261 F267 L268 M270 A272L181-P265 HydrophobicContact CD2-CB 3.93Å; L181-P265 HydrophobicContact CD2-CG 3.93Å; A261-P265 WeakPolarHBondContact O-CA 3.32Å; A261-P265 VanDerWaalsContact O-N 3.12Å; P265-F267 PolarHBondContact O-N 2.94Å; P265-F267 VanDerWaalsContact O-N 3.15Å; P265-L268 WeakPolarHBondContact O-CA 3.42Å; P265-L268 WeakPolarHBondContact O-CB 3.49Å; P265-L268 PolarHBondContact O-N 2.61Å; P265-M270 CarbonylContact C-O 3.54Å; P265-M270 HydrophobicContact CB-CB 3.82Å; P265-M270 HydrophobicContact CB-SD 4.44Å; P265-M270 WeakPolarHBondContact O-CB 3.45Å; P265-M270 PolarHBondContact O-N 2.85Å; P265-A272 HydrophobicContact CB-CB 4.22Å; P265-A272 HydrophobicContact CG-CB 4.39Å; P265-A272 WeakPolarHBondContact CG-O 3.46Å
266S97.4Very high97.7Very high77 Ų7735.8 Ų35.854%0.53821%0.205SC..G310 helixtrans-57.2-24.4173.1610000113.6Q264 L268 G269 M270Q264-S266 PolarHBondContact O-N 2.78Å; S266-L268 PolarHBondContact O-N 3.09Å; S266-G269 PolarHBondContact O-N 3.32Å; S266-M270 WeakPolarHBondContact CA-O 3.3Å; S266-M270 PolarHBondContact N-O 2.79Å
267F94.7Very high97.8Very high53 Ų5339.3 Ų39.323%0.23222%0.221CC..G310 helixtrans-61.2-22.9172.6-76.18.7000112.9Y189 F224 R257 E260 A261 Q264 P265Y189-F267 HydrophobicContact CE1-CB 4.47Å; F224-F267 HydrophobicContact CE1-CE2 4.15Å; F224-F267 AromaticContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE2-CE2 4.26Å; F224-F267 AromaticContact CZ-CE2 3.73Å; F224-F267 HydrophobicContact CZ-CE2 3.73Å; F224-F267 AromaticContact CZ-CZ 3.83Å; F224-F267 HydrophobicContact CZ-CZ 3.83Å; R257-F267 HydrophobicContact CG-CE2 4.49Å; E260-F267 HydrophobicContact CB-CD2 4.4Å; E260-F267 HydrophobicContact CB-CE2 3.99Å; E260-F267 HydrophobicContact CG-CD2 4.36Å; E260-F267 HydrophobicContact CG-CE2 3.66Å; E260-F267 HydrophobicContact CG-CZ 4.28Å; A261-F267 HydrophobicContact CB-CB 4.32Å; Q264-F267 HydrophobicContact CB-CD1 4.26Å; Q264-F267 HydrophobicContact CB-CE1 4.28Å; Q264-F267 HydrophobicContact CB-CG 4.45Å; Q264-F267 HydrophobicContact CB-CZ 4.47Å; Q264-F267 WeakPolarHBondContact O-CB 3.24Å; Q264-F267 PolarHBondContact O-N 2.89Å; P265-F267 PolarHBondContact O-N 2.94Å; P265-F267 VanDerWaalsContact O-N 3.15Å
268L96.3Very high97.8Very high50 Ų5037.1 Ų37.126%0.26221%0.214SC..G310 helixtrans-100.54.2175.5-54.5178.8000112.6L181 D185 Y189 A261 P265 S266 M270L181-L268 HydrophobicContact CD1-CD1 3.23Å; L181-L268 HydrophobicContact CD2-CD1 4.14Å; L181-L268 HydrophobicContact CG-CD1 4.31Å; D185-L268 HydrophobicContact CB-CD1 4.37Å; Y189-L268 HydrophobicContact CD1-CD2 3.9Å; Y189-L268 HydrophobicContact CD2-CD2 3.4Å; Y189-L268 VanDerWaalsContact CD2-CD2 3.4Å; Y189-L268 HydrophobicContact CE2-CD2 4.15Å; Y189-L268 HydrophobicContact CG-CD2 3.27Å; A261-L268 HydrophobicContact CB-CD1 3.98Å; A261-L268 HydrophobicContact CB-CD2 4.34Å; A261-L268 HydrophobicContact CB-CG 3.98Å; P265-L268 WeakPolarHBondContact O-CA 3.42Å; P265-L268 WeakPolarHBondContact O-CB 3.49Å; P265-L268 PolarHBondContact O-N 2.61Å; S266-L268 PolarHBondContact O-N 3.09Å; L268-M270 VanDerWaalsContact C-N 3.29Å; L268-M270 HydrophobicContact CB-CG 4.09Å; L268-M270 HydrophobicContact CB-SD 4.25Å; L268-M270 HydrophobicContact CD1-SD 4.27Å
269G96Very high97.8Very high69 Ų6937.1 Ų37.171%0.71121%0.214SC*.THydrogen-bonded Turntrans74.418.6-173.100000113.6S266S266-G269 PolarHBondContact O-N 3.32Å
270M96.6Very high97.8Very high55 Ų5539.8 Ų39.827%0.27123%0.225SC..  trans-90.8128.5177.7-59.2175.673.500110.8L179 D180 L181 P265 S266 L268 A272L179-M270 HydrophobicContact CD1-CE 4.4Å; D180-M270 WeakPolarHBondContact O-CE 3.22Å; L181-M270 HydrophobicContact CB-CE 4.08Å; L181-M270 HydrophobicContact CB-SD 4.09Å; L181-M270 HydrophobicContact CD1-SD 4.45Å; L181-M270 HydrophobicContact CD2-SD 4.22Å; L181-M270 HydrophobicContact CG-SD 4.48Å; P265-M270 CarbonylContact C-O 3.54Å; P265-M270 HydrophobicContact CB-CB 3.82Å; P265-M270 HydrophobicContact CB-SD 4.44Å; P265-M270 WeakPolarHBondContact O-CB 3.45Å; P265-M270 PolarHBondContact O-N 2.85Å; S266-M270 WeakPolarHBondContact CA-O 3.3Å; S266-M270 PolarHBondContact N-O 2.79Å; L268-M270 VanDerWaalsContact C-N 3.29Å; L268-M270 HydrophobicContact CB-CG 4.09Å; L268-M270 HydrophobicContact CB-SD 4.25Å; L268-M270 HydrophobicContact CD1-SD 4.27Å; M270-A272 VanDerWaalsContact C-N 3.27Å; M270-A272 PolarHBondContact O-N 2.93Å; M270-A272 VanDerWaalsContact O-N 3.1Å
271E96.3Very high97.8Very high210 Ų21042.7 Ų42.798%0.98124%0.24SC*.  trans-83.870.8169-65.1-174.9171.600109.9
272A97Very high97.8Very high40 Ų4042.7 Ų42.733%0.33124%0.24SC..  trans-141.2152.5-179.400000111.6L179 P265 M270L179-A272 HydrophobicContact CD1-CB 3.59Å; P265-A272 HydrophobicContact CB-CB 4.22Å; P265-A272 HydrophobicContact CG-CB 4.39Å; P265-A272 WeakPolarHBondContact CG-O 3.46Å; M270-A272 VanDerWaalsContact C-N 3.27Å; M270-A272 PolarHBondContact O-N 2.93Å; M270-A272 VanDerWaalsContact O-N 3.1Å
273S98Very high97.8Very high41 Ų4142.6 Ų42.629%0.28724%0.24SC..  trans-68144.1170.8-79.60000111.6E277 T278S273-E277 VanDerWaalsContact CB-OE2 3.22Å; S273-E277 WeakPolarHBondContact CB-OE2 3.37Å; S273-E277 PolarHBondContact OG-OE2 3.49Å; S273-T278 PolarHBondContact O-OG1 3.08Å
274G98.5Very high97.7Very high1 Ų144.7 Ų44.71%0.0125%0.251CS..  trans-66.9167.1171.700000112.9L262 F263 H276 E277 T278L262-G274 CarbonylContact O-C 3.57Å; L262-G274 WeakPolarHBondContact O-CA 3.5Å; F263-G274 WeakPolarHBondContact O-CA 3.24Å; G274-H276 PolarHBondContact O-N 2.89Å; G274-H276 VanDerWaalsContact O-N 3.14Å; G274-E277 PolarHBondContact O-N 3.33Å; G274-T278 WeakPolarHBondContact O-CB 3.46Å; G274-T278 PolarHBondContact O-N 3.17Å; G274-T278 PolarHBondContact O-OG1 3.47Å; G274-T278 VanDerWaalsContact O-OG1 3.1Å
275I98.7Very high97.7Very high2 Ų247 Ų471%0.0126%0.259CS..Hα-helixtrans-57.5-31.7-175.856.8170.6000114.2L154 T161 L179 L262 F263 T279 I310 M314L154-I275 HydrophobicContact CD1-CB 4.1Å; L154-I275 HydrophobicContact CD1-CG2 4.28Å; L154-I275 HydrophobicContact CD2-CB 4.02Å; L154-I275 HydrophobicContact CD2-CD1 3.93Å; L154-I275 HydrophobicContact CD2-CG1 4.36Å; T161-I275 HydrophobicContact CG2-CG2 3.89Å; L179-I275 HydrophobicContact CD2-CG2 4.29Å; L262-I275 HydrophobicContact CB-CD1 3.94Å; L262-I275 HydrophobicContact CB-CG1 4.21Å; L262-I275 HydrophobicContact CB-CG2 4.24Å; L262-I275 HydrophobicContact CD1-CD1 4.48Å; L262-I275 HydrophobicContact CD2-CG2 4.39Å; L262-I275 PolarHBondContact O-N 3.14Å; F263-I275 HydrophobicContact CD1-CG1 4.24Å; F263-I275 HydrophobicContact CE1-CD1 4.12Å; F263-I275 HydrophobicContact CE1-CG1 4.06Å; F263-I275 HydrophobicContact CE2-CD1 3.98Å; F263-I275 HydrophobicContact CE2-CG1 4.48Å; F263-I275 HydrophobicContact CG-CG1 4.49Å; F263-I275 HydrophobicContact CZ-CD1 3.75Å; F263-I275 HydrophobicContact CZ-CG1 4.2Å; I275-T279 VanDerWaalsContact O-CB 3.3Å; I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 2.84Å; I275-T279 PolarHBondContact O-OG1 2.6Å; I275-I310 HydrophobicContact CD1-CD1 4.16Å; I275-M314 HydrophobicContact CD1-SD 3.82Å; I275-M314 HydrophobicContact CG1-SD 3.86Å
276H98.6Very high97.7Very high20 Ų2046.9 Ų46.99%0.09326%0.259CS..Hα-helixtrans-70.4-49.5178.260.6-68.5000111.4F263 G274 T279 Y280 M314 E317F263-H276 HydrophobicContact CD1-CB 4.28Å; F263-H276 AromaticContact CD1-CG 3.99Å; F263-H276 AromaticContact CD1-ND1 3.41Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.31Å; F263-H276 HydrophobicContact CE1-CB 4.35Å; F263-H276 PolarHBondContact O-CE1 2.87Å; F263-H276 VanDerWaalsContact O-CE1 3.31Å; G274-H276 PolarHBondContact O-N 2.89Å; G274-H276 VanDerWaalsContact O-N 3.14Å; H276-T279 PolarHBondContact O-N 2.92Å; H276-Y280 WeakPolarHBondContact O-CB 3.36Å; H276-Y280 PolarHBondContact O-N 3.02Å; H276-M314 HydrophobicContact CB-CE 4.49Å; H276-M314 HydrophobicContact CB-SD 3.95Å; H276-E317 HydrophobicContact CB-CB 3.63Å; H276-E317 HydrophobicContact CB-CG 4.24Å
277E98.5Very high97.7Very high75 Ų7548.8 Ų48.835%0.3526%0.263SS..Hα-helixtrans-63.4-43.5172.7-77.3179.9-175.600111.8S273 G274 T279 Y280 N281 L321S273-E277 VanDerWaalsContact CB-OE2 3.22Å; S273-E277 WeakPolarHBondContact CB-OE2 3.37Å; S273-E277 PolarHBondContact OG-OE2 3.49Å; G274-E277 PolarHBondContact O-N 3.33Å; E277-T279 VanDerWaalsContact C-N 3.27Å; E277-T279 PolarHBondContact O-N 3.17Å; E277-Y280 PolarHBondContact O-N 3.5Å; E277-N281 VanDerWaalsContact O-CB 3.25Å; E277-N281 WeakPolarHBondContact O-CB 3.37Å; E277-N281 PolarHBondContact O-N 2.83Å; E277-N281 PolarHBondContact O-ND2 3.32Å; E277-L321 HydrophobicContact CG-CD1 4.11Å
278T98.6Very high97.8Very high14 Ų1450.8 Ų50.89%0.08628%0.28CS..Hα-helixtrans-62.4-35.9176.5-61.60000111.2T163 L177 S273 G274 S282T163-T278 HydrophobicContact CG2-CG2 3.93Å; T163-T278 PolarHBondContact OG1-O 2.83Å; L177-T278 HydrophobicContact CB-CG2 3.64Å; L177-T278 HydrophobicContact CD1-CG2 3.99Å; L177-T278 WeakPolarHBondContact CD1-O 3.45Å; L177-T278 HydrophobicContact CG-CG2 4.47Å; S273-T278 PolarHBondContact O-OG1 3.08Å; G274-T278 WeakPolarHBondContact O-CB 3.46Å; G274-T278 PolarHBondContact O-N 3.17Å; G274-T278 PolarHBondContact O-OG1 3.47Å; G274-T278 VanDerWaalsContact O-OG1 3.1Å; T278-S282 WeakPolarHBondContact O-CB 3.38Å; T278-S282 PolarHBondContact O-N 3.24Å; T278-S282 VanDerWaalsContact O-N 3.09Å
279T98.8Very high97.7Very high0 Ų055.3 Ų55.30%030%0.304CS..Hα-helixtrans-67.9-47.8173.7-57.90000110.8I152 T163 I275 H276 E277 N281 S282 I283 T298 I318I152-T279 HydrophobicContact CD1-CG2 3.93Å; I152-T279 HydrophobicContact CG1-CG2 4.46Å; I152-T279 HydrophobicContact CG2-CG2 4.23Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.26Å; I275-T279 VanDerWaalsContact O-CB 3.3Å; I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 2.84Å; I275-T279 PolarHBondContact O-OG1 2.6Å; H276-T279 PolarHBondContact O-N 2.92Å; E277-T279 VanDerWaalsContact C-N 3.27Å; E277-T279 PolarHBondContact O-N 3.17Å; T279-N281 PolarHBondContact O-N 3.2Å; T279-S282 WeakPolarHBondContact O-CB 3.46Å; T279-S282 PolarHBondContact O-N 3.29Å; T279-I283 HydrophobicContact CG2-CD1 4.44Å; T279-I283 WeakPolarHBondContact O-CG1 3.5Å; T279-I283 PolarHBondContact O-N 3.35Å; T279-I283 VanDerWaalsContact O-N 3.1Å; T279-T298 HydrophobicContact CG2-CG2 4.16Å; T279-I318 HydrophobicContact CG2-CD1 3.86Å
280Y98.5Very high97.8Very high56 Ų5653 Ų5322%0.2228%0.275CS..Hα-helixtrans-57.8-47.4176168.3-97.1000112.5H276 E277 S282 I283 M284 Y295 L321H276-Y280 WeakPolarHBondContact O-CB 3.36Å; H276-Y280 PolarHBondContact O-N 3.02Å; E277-Y280 PolarHBondContact O-N 3.5Å; Y280-S282 VanDerWaalsContact C-N 3.29Å; Y280-S282 PolarHBondContact O-N 3.47Å; Y280-I283 PolarHBondContact O-N 3.31Å; Y280-I283 VanDerWaalsContact O-N 3.14Å; Y280-M284 HydrophobicContact CD1-CG 4.19Å; Y280-M284 HydrophobicContact CD2-CE 4.39Å; Y280-M284 HydrophobicContact CD2-CG 4.33Å; Y280-M284 HydrophobicContact CE1-CG 3.68Å; Y280-M284 HydrophobicContact CE2-CE 3.67Å; Y280-M284 HydrophobicContact CE2-CG 3.85Å; Y280-M284 HydrophobicContact CE2-SD 4.28Å; Y280-M284 HydrophobicContact CG-CG 4.49Å; Y280-M284 VanDerWaalsContact CZ-CG 3.48Å; Y280-M284 WeakPolarHBondContact O-CG 3.35Å; Y280-M284 PolarHBondContact O-N 3.49Å; Y280-Y295 VanDerWaalsContact CD2-OH 3.27Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.45Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.48Å; Y280-L321 HydrophobicContact CD2-CB 3.71Å; Y280-L321 HydrophobicContact CE2-CB 4.07Å; Y280-L321 VanDerWaalsContact CE2-O 3.28Å; Y280-L321 WeakPolarHBondContact CE2-O 2.92Å; Y280-L321 HydrophobicContact CG-CB 3.95Å; Y280-L321 HydrophobicContact CG-CD1 4.13Å
281N98.6Very high97.8Very high61 Ų6152.9 Ų52.933%0.32627%0.272SS..Hα-helixtrans-62.4-37.3179.8-73.1-27000111.7L177 E277 T279 M284 K285L177-N281 HydrophobicContact CD1-CB 3.73Å; E277-N281 VanDerWaalsContact O-CB 3.25Å; E277-N281 WeakPolarHBondContact O-CB 3.37Å; E277-N281 PolarHBondContact O-N 2.83Å; E277-N281 PolarHBondContact O-ND2 3.32Å; T279-N281 PolarHBondContact O-N 3.2Å; N281-M284 PolarHBondContact O-N 3.18Å; N281-K285 WeakPolarHBondContact O-CG 3.4Å; N281-K285 PolarHBondContact O-N 2.96Å; N281-K285 VanDerWaalsContact O-N 3.08Å
282S98.6Very high97.9Very high0 Ų049.4 Ų49.40%025%0.253CS..Hα-helixtrans-62.9-45.7173.4176.50000111.5I152 T163 P165 A175 T278 T279 Y280 M284 K285 C286I152-S282 WeakPolarHBondContact CD1-OG 3.4Å; T163-S282 WeakPolarHBondContact OG1-CB 3.22Å; P165-S282 VanDerWaalsContact CD-OG 3.32Å; P165-S282 WeakPolarHBondContact CD-OG 3.33Å; P165-S282 WeakPolarHBondContact CG-OG 3.2Å; A175-S282 WeakPolarHBondContact O-CB 3.44Å; A175-S282 PolarHBondContact O-OG 2.77Å; T278-S282 WeakPolarHBondContact O-CB 3.38Å; T278-S282 PolarHBondContact O-N 3.24Å; T278-S282 VanDerWaalsContact O-N 3.09Å; T279-S282 WeakPolarHBondContact O-CB 3.46Å; T279-S282 PolarHBondContact O-N 3.29Å; Y280-S282 VanDerWaalsContact C-N 3.29Å; Y280-S282 PolarHBondContact O-N 3.47Å; S282-M284 VanDerWaalsContact C-N 3.3Å; S282-M284 PolarHBondContact O-N 3.21Å; S282-K285 PolarHBondContact O-N 2.77Å; S282-C286 PolarHBondContact O-SG 3.06Å
283I98.4Very high97.9Very high0 Ų050.6 Ų50.60%025%0.254CS..Hα-helixtrans-62.2-37.9174.3-61170.7000111.4I152 T279 Y280 K285 C286 R291 L294 Y295I152-I283 HydrophobicContact CD1-CD1 4.39Å; I152-I283 HydrophobicContact CD1-CG1 3.66Å; I152-I283 HydrophobicContact CG2-CD1 4.07Å; I152-I283 HydrophobicContact CG2-CG1 4.26Å; T279-I283 HydrophobicContact CG2-CD1 4.44Å; T279-I283 WeakPolarHBondContact O-CG1 3.5Å; T279-I283 PolarHBondContact O-N 3.35Å; T279-I283 VanDerWaalsContact O-N 3.1Å; Y280-I283 PolarHBondContact O-N 3.31Å; Y280-I283 VanDerWaalsContact O-N 3.14Å; I283-K285 VanDerWaalsContact C-N 3.26Å; I283-K285 PolarHBondContact O-N 3.07Å; I283-C286 WeakPolarHBondContact O-CB 3.43Å; I283-C286 PolarHBondContact O-N 3.18Å; I283-C286 VanDerWaalsContact O-N 3.13Å; I283-R291 HydrophobicContact CG2-CB 3.9Å; I283-R291 HydrophobicContact CG2-CG 3.9Å; I283-R291 PolarHBondContact O-NE 3.4Å; I283-L294 HydrophobicContact CD1-CB 4.4Å; I283-L294 HydrophobicContact CG1-CB 4.11Å; I283-L294 HydrophobicContact CG1-CD1 4.43Å; I283-L294 HydrophobicContact CG2-CB 4.27Å; I283-L294 HydrophobicContact CG2-CD1 4.28Å; I283-Y295 HydrophobicContact CB-CE1 4.43Å; I283-Y295 HydrophobicContact CD1-CD1 3.45Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.45Å; I283-Y295 HydrophobicContact CD1-CE1 3.42Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.42Å; I283-Y295 HydrophobicContact CD1-CG 4.18Å; I283-Y295 HydrophobicContact CG2-CD1 4.48Å; I283-Y295 HydrophobicContact CG2-CD2 4.16Å; I283-Y295 HydrophobicContact CG2-CE1 4.08Å; I283-Y295 HydrophobicContact CG2-CE2 3.72Å
284M97.8Very high97.9Very high49 Ų4948.6 Ų48.624%0.24124%0.24CC..Hα-helixtrans-69-22178.4-75.7-63.3127.900113.9Y280 N281 S282 C286 R291 Y295Y280-M284 HydrophobicContact CD1-CG 4.19Å; Y280-M284 HydrophobicContact CD2-CE 4.39Å; Y280-M284 HydrophobicContact CD2-CG 4.33Å; Y280-M284 HydrophobicContact CE1-CG 3.68Å; Y280-M284 HydrophobicContact CE2-CE 3.67Å; Y280-M284 HydrophobicContact CE2-CG 3.85Å; Y280-M284 HydrophobicContact CE2-SD 4.28Å; Y280-M284 HydrophobicContact CG-CG 4.49Å; Y280-M284 VanDerWaalsContact CZ-CG 3.48Å; Y280-M284 WeakPolarHBondContact O-CG 3.35Å; Y280-M284 PolarHBondContact O-N 3.49Å; N281-M284 PolarHBondContact O-N 3.18Å; S282-M284 VanDerWaalsContact C-N 3.3Å; S282-M284 PolarHBondContact O-N 3.21Å; M284-C286 VanDerWaalsContact C-N 3.31Å; M284-R291 PolarHBondContact O-NH2 2.9Å; M284-R291 PolarHBondContact SD-NH1 2.91Å; M284-Y295 HydrophobicContact CE-CE2 4.27Å; M284-Y295 WeakPolarHBondContact CE-OH 3.36Å
285K98.4Very high97.9Very high110 Ų11048.6 Ų48.648%0.47824%0.24SC..Hα-helixtrans-78-16.8171.8-74.4-177.6173.5-163.60113.3A175 L177 N281 S282 I283A175-K285 HydrophobicContact CB-CB 3.67Å; L177-K285 HydrophobicContact CD2-CD 4.23Å; L177-K285 VanDerWaalsContact CD2-NZ 3.32Å; N281-K285 WeakPolarHBondContact O-CG 3.4Å; N281-K285 PolarHBondContact O-N 2.96Å; N281-K285 VanDerWaalsContact O-N 3.08Å; S282-K285 PolarHBondContact O-N 2.77Å; I283-K285 VanDerWaalsContact C-N 3.26Å; I283-K285 PolarHBondContact O-N 3.07Å
286C98Very high97.8Very high1 Ų149.8 Ų49.81%0.00725%0.249CC..SBendtrans-82.2159.3176.5-63.10000112.3P165 A175 S282 I283 M284 I290 R291 L294P165-C286 VanDerWaalsContact CB-SG 3.58Å; A175-C286 VanDerWaalsContact CB-SG 3.52Å; S282-C286 PolarHBondContact O-SG 3.06Å; I283-C286 WeakPolarHBondContact O-CB 3.43Å; I283-C286 PolarHBondContact O-N 3.18Å; I283-C286 VanDerWaalsContact O-N 3.13Å; M284-C286 VanDerWaalsContact C-N 3.31Å; C286-I290 HydrophobicContact CB-CD1 3.92Å; C286-I290 HydrophobicContact CB-CG1 4.06Å; C286-R291 VanDerWaalsContact O-CZ 3.32Å; C286-R291 PolarHBondContact O-NE 3.41Å; C286-R291 PolarHBondContact O-NH2 2.91Å; C286-L294 HydrophobicContact CB-CD1 3.77Å; C286-L294 VanDerWaalsContact SG-CD1 3.59Å
287D97Very high97.8Very high117 Ų11750.4 Ų50.463%0.62625%0.253SS*.  trans-59.2143.7174.4-68.1-36000112.1D289 I290 R291D287-D289 PolarHBondContact O-N 2.73Å; D287-I290 VanDerWaalsContact O-CG1 3.29Å; D287-I290 WeakPolarHBondContact O-CG1 3.22Å; D287-I290 PolarHBondContact O-N 3.47Å; D287-R291 WeakPolarHBondContact O-CG 3.43Å
288V95.8Very high97.8Very high96 Ų9646.9 Ų46.958%0.58224%0.236SC*.Hα-helixtrans-56.1-38-173.8174.30000112.2I290 R291V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 2.89Å; V288-R291 PolarHBondContact O-N 2.89Å
289D95.9Very high97.8Very high145 Ų14546.2 Ų46.278%0.77523%0.232SC*.Hα-helixtrans-65-30.7-174.1-64.6-21.2000112.9D287D287-D289 PolarHBondContact O-N 2.73Å
290I96.9Very high97.8Very high21 Ų2146.2 Ų46.211%0.10823%0.232CC..Hα-helixtrans-94-13.3-177.968.1167.3000113.3Y167 L172 C286 D287 V288 K292 D293 L294Y167-I290 HydrophobicContact CD2-CB 4Å; Y167-I290 HydrophobicContact CD2-CD1 4.36Å; Y167-I290 HydrophobicContact CD2-CG2 3.59Å; Y167-I290 HydrophobicContact CE2-CB 4.21Å; Y167-I290 HydrophobicContact CE2-CG2 3.46Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.46Å; Y167-I290 HydrophobicContact CG-CG2 4.36Å; L172-I290 HydrophobicContact CD1-CD1 3.45Å; L172-I290 VanDerWaalsContact CD1-CD1 3.45Å; C286-I290 HydrophobicContact CB-CD1 3.92Å; C286-I290 HydrophobicContact CB-CG1 4.06Å; D287-I290 VanDerWaalsContact O-CG1 3.29Å; D287-I290 WeakPolarHBondContact O-CG1 3.22Å; D287-I290 PolarHBondContact O-N 3.47Å; V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 2.89Å; I290-K292 PolarHBondContact O-N 3.03Å; I290-D293 PolarHBondContact O-N 3.24Å; I290-L294 HydrophobicContact CD1-CD1 4.21Å; I290-L294 HydrophobicContact CG1-CD1 4.24Å; I290-L294 WeakPolarHBondContact O-CG 3.32Å; I290-L294 PolarHBondContact O-N 2.76Å; I290-L294 VanDerWaalsContact O-N 3.09Å
291R97.9Very high97.8Very high51 Ų5143.5 Ų43.519%0.19222%0.221CC..Hα-helixtrans-58.6-35.9-174.8-63.5-175.3-172.4177.6-0.6112.8I283 M284 C286 D287 V288 D293 L294 Y295I283-R291 HydrophobicContact CG2-CB 3.9Å; I283-R291 HydrophobicContact CG2-CG 3.9Å; I283-R291 PolarHBondContact O-NE 3.4Å; M284-R291 PolarHBondContact O-NH2 2.9Å; M284-R291 PolarHBondContact SD-NH1 2.91Å; C286-R291 VanDerWaalsContact O-CZ 3.32Å; C286-R291 PolarHBondContact O-NE 3.41Å; C286-R291 PolarHBondContact O-NH2 2.91Å; D287-R291 WeakPolarHBondContact O-CG 3.43Å; V288-R291 PolarHBondContact O-N 2.89Å; R291-D293 VanDerWaalsContact C-N 3.3Å; R291-D293 PolarHBondContact O-N 2.94Å; R291-L294 PolarHBondContact O-N 3.18Å; R291-Y295 HydrophobicContact CB-CD2 4.31Å; R291-Y295 HydrophobicContact CB-CE2 4.23Å; R291-Y295 WeakPolarHBondContact O-CB 3.14Å; R291-Y295 WeakPolarHBondContact O-CD2 3.44Å; R291-Y295 PolarHBondContact O-N 3.21Å
292K97.4Very high97.8Very high138 Ų13841 Ų4160%0.621%0.209SC*.Hα-helixtrans-60-41.4176.9-178.7-173.8173.3-170.10111.7I290 S296 M326I290-K292 PolarHBondContact O-N 3.03Å; K292-S296 WeakPolarHBondContact O-CB 3.29Å; K292-S296 PolarHBondContact O-N 2.93Å; K292-S296 VanDerWaalsContact O-N 3.13Å; K292-S296 PolarHBondContact O-OG 3.32Å; K292-M326 HydrophobicContact CB-SD 4.05Å; K292-M326 HydrophobicContact CG-SD 4.4Å
293D97.3Very high97.7Very high64 Ų6443 Ų4334%0.34223%0.23SC..Hα-helixtrans-72.7-36.5179.2-61.4-41.7000111.4T150 I290 R291 S296 N297T150-D293 HydrophobicContact CG2-CB 3.78Å; I290-D293 PolarHBondContact O-N 3.24Å; R291-D293 VanDerWaalsContact C-N 3.3Å; R291-D293 PolarHBondContact O-N 2.94Å; D293-S296 PolarHBondContact O-N 3.37Å; D293-S296 PolarHBondContact O-OG 3.31Å; D293-N297 WeakPolarHBondContact O-CB 3.4Å; D293-N297 PolarHBondContact O-N 2.81Å; D293-N297 PolarHBondContact O-ND2 3.09Å
294L98.2Very high97.7Very high0 Ų043.2 Ų43.20%023%0.231CC..Hα-helixtrans-64.1-48174.3-59.1-180000111.8G151 P165 I283 C286 I290 R291 S296 N297 T298G151-L294 VanDerWaalsContact C-CD2 3.47Å; G151-L294 VanDerWaalsContact O-CD2 3.32Å; G151-L294 WeakPolarHBondContact O-CD2 3.49Å; P165-L294 HydrophobicContact CB-CD1 4.07Å; P165-L294 HydrophobicContact CB-CD2 4.25Å; I283-L294 HydrophobicContact CD1-CB 4.4Å; I283-L294 HydrophobicContact CG1-CB 4.11Å; I283-L294 HydrophobicContact CG1-CD1 4.43Å; I283-L294 HydrophobicContact CG2-CB 4.27Å; I283-L294 HydrophobicContact CG2-CD1 4.28Å; C286-L294 HydrophobicContact CB-CD1 3.77Å; C286-L294 VanDerWaalsContact SG-CD1 3.59Å; I290-L294 HydrophobicContact CD1-CD1 4.21Å; I290-L294 HydrophobicContact CG1-CD1 4.24Å; I290-L294 WeakPolarHBondContact O-CG 3.32Å; I290-L294 PolarHBondContact O-N 2.76Å; I290-L294 VanDerWaalsContact O-N 3.09Å; R291-L294 PolarHBondContact O-N 3.18Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 3.01Å; L294-N297 CarbonylContact O-C 3.57Å; L294-N297 VanDerWaalsContact O-C 3.28Å; L294-N297 PolarHBondContact O-N 2.85Å; L294-T298 PolarHBondContact O-N 3.41Å; L294-T298 PolarHBondContact O-OG1 3.12Å
295Y98.2Very high97.7Very high1 Ų140.9 Ų40.90%0.00422%0.22CC..Hα-helixtrans-62.3-36.4177.8-81-52.4000113.5Y280 I283 M284 R291 N297 I318 A322 M326 I328 K329Y280-Y295 VanDerWaalsContact CD2-OH 3.27Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.45Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.48Å; I283-Y295 HydrophobicContact CB-CE1 4.43Å; I283-Y295 HydrophobicContact CD1-CD1 3.45Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.45Å; I283-Y295 HydrophobicContact CD1-CE1 3.42Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.42Å; I283-Y295 HydrophobicContact CD1-CG 4.18Å; I283-Y295 HydrophobicContact CG2-CD1 4.48Å; I283-Y295 HydrophobicContact CG2-CD2 4.16Å; I283-Y295 HydrophobicContact CG2-CE1 4.08Å; I283-Y295 HydrophobicContact CG2-CE2 3.72Å; M284-Y295 HydrophobicContact CE-CE2 4.27Å; M284-Y295 WeakPolarHBondContact CE-OH 3.36Å; R291-Y295 HydrophobicContact CB-CD2 4.31Å; R291-Y295 HydrophobicContact CB-CE2 4.23Å; R291-Y295 WeakPolarHBondContact O-CB 3.14Å; R291-Y295 WeakPolarHBondContact O-CD2 3.44Å; R291-Y295 PolarHBondContact O-N 3.21Å; Y295-N297 VanDerWaalsContact C-N 3.27Å; Y295-N297 PolarHBondContact O-N 3.29Å; Y295-I318 HydrophobicContact CD1-CG2 3.93Å; Y295-I318 HydrophobicContact CE1-CG2 3.93Å; Y295-A322 HydrophobicContact CD1-CB 4.2Å; Y295-A322 HydrophobicContact CE1-CB 3.64Å; Y295-A322 HydrophobicContact CE2-CB 4.27Å; Y295-M326 HydrophobicContact CD2-CB 3.96Å; Y295-M326 HydrophobicContact CD2-CG 3.71Å; Y295-M326 HydrophobicContact CD2-SD 4Å; Y295-M326 HydrophobicContact CE2-CB 4.49Å; Y295-M326 HydrophobicContact CE2-CG 3.97Å; Y295-M326 HydrophobicContact CG-CB 4.37Å; Y295-I328 HydrophobicContact CD1-CD1 3.46Å; Y295-I328 VanDerWaalsContact CD1-CD1 3.46Å; Y295-I328 HydrophobicContact CD2-CD1 4.45Å; Y295-I328 HydrophobicContact CE1-CD1 4.19Å; Y295-I328 HydrophobicContact CG-CD1 3.62Å; Y295-I328 WeakPolarHBondContact O-CA 3.48Å; Y295-K329 PolarHBondContact O-N 3Å
296S97.4Very high97.7Very high27 Ų2738.7 Ų38.719%0.18921%0.212CC..THydrogen-bonded Turntrans-83.4-2.3179.461.40000113.8K292 D293 L294 K327 K329K292-S296 WeakPolarHBondContact O-CB 3.29Å; K292-S296 PolarHBondContact O-N 2.93Å; K292-S296 VanDerWaalsContact O-N 3.13Å; K292-S296 PolarHBondContact O-OG 3.32Å; D293-S296 PolarHBondContact O-N 3.37Å; D293-S296 PolarHBondContact O-OG 3.31Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 3.01Å; S296-K327 WeakPolarHBondContact CA-O 3.39Å; S296-K329 WeakPolarHBondContact O-CB 3.44Å
297N97.6Very high97.7Very high33 Ų3339.2 Ų39.218%0.17621%0.214CC..THydrogen-bonded Turntrans-140.557.7178.3-64.1-66.5000111.4R148 G151 I152 D293 L294 Y295 V299R148-N297 WeakPolarHBondContact CD-OD1 3.4Å; R148-N297 PolarHBondContact NE-OD1 2.78Å; G151-N297 CarbonylContact C-O 3.21Å; G151-N297 VanDerWaalsContact CA-O 3.27Å; G151-N297 WeakPolarHBondContact CA-O 3.41Å; I152-N297 PolarHBondContact N-O 3.06Å; D293-N297 WeakPolarHBondContact O-CB 3.4Å; D293-N297 PolarHBondContact O-N 2.81Å; D293-N297 PolarHBondContact O-ND2 3.09Å; L294-N297 CarbonylContact O-C 3.57Å; L294-N297 VanDerWaalsContact O-C 3.28Å; L294-N297 PolarHBondContact O-N 2.85Å; Y295-N297 VanDerWaalsContact C-N 3.27Å; Y295-N297 PolarHBondContact O-N 3.29Å; N297-V299 PolarHBondContact O-N 3.18Å
298T98.5Very high97.8Very high0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-85.2107.3170.6-59.80000109.5I152 T279 L294 I318 K329 I330 V331I152-T298 HydrophobicContact CG2-CG2 4.09Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.07Å; I152-T298 CarbonylContact O-C 3.55Å; I152-T298 WeakPolarHBondContact O-CA 3.23Å; T279-T298 HydrophobicContact CG2-CG2 4.16Å; L294-T298 PolarHBondContact O-N 3.41Å; L294-T298 PolarHBondContact O-OG1 3.12Å; T298-I318 HydrophobicContact CG2-CD1 4.26Å; T298-K329 PolarHBondContact N-O 3.38Å; T298-K329 VanDerWaalsContact N-O 3.15Å; T298-I330 HydrophobicContact CG2-CD1 3.74Å; T298-I330 CarbonylContact O-C 3.51Å; T298-I330 WeakPolarHBondContact O-CA 3.43Å; T298-V331 PolarHBondContact O-N 3.29Å
299V98.6Very high97.9Very high0 Ų034.4 Ų34.40%020%0.197CC..EExtended strand (participates in β ladder)trans-100.4128.5-176.4-177.80000110.4L143 I152 V153 L154 N297 V331L143-V299 HydrophobicContact CD1-CB 4.38Å; L143-V299 HydrophobicContact CD1-CG2 3.65Å; I152-V299 PolarHBondContact O-N 3.19Å; V153-V299 WeakPolarHBondContact CA-O 3.35Å; V153-V299 HydrophobicContact CG2-CB 4.28Å; L154-V299 PolarHBondContact N-O 3.2Å; N297-V299 PolarHBondContact O-N 3.18Å; V299-V331 WeakPolarHBondContact CA-O 3.41Å; V299-V331 HydrophobicContact CG2-CB 4.17Å
300L98.8Very high98.1Very high0 Ų027.6 Ų27.60%016%0.16CC..EExtended strand (participates in β ladder)trans-89.2133.4174.2-53.9-169.9000110.3L154 T305 I310 A311 I330 V331 A332 R336L154-L300 HydrophobicContact CB-CD2 4.05Å; L154-L300 HydrophobicContact CD2-CD2 3.95Å; L154-L300 HydrophobicContact CG-CD2 4.42Å; L300-T305 HydrophobicContact CB-CG2 4.35Å; L300-I310 HydrophobicContact CD1-CG2 3.98Å; L300-A311 HydrophobicContact CD1-CB 4.16Å; L300-I330 HydrophobicContact CD1-CG2 3.84Å; L300-I330 HydrophobicContact CD2-CG2 4.05Å; L300-I330 HydrophobicContact CG-CG2 3.76Å; L300-V331 PolarHBondContact N-O 3.44Å; L300-A332 HydrophobicContact CB-CB 4.4Å; L300-A332 HydrophobicContact CD1-CB 4Å; L300-A332 HydrophobicContact CG-CB 4.37Å; L300-R336 WeakPolarHBondContact O-CB 3.41Å
301S98.4Very high98.2Very high0 Ų027.8 Ų27.80%017%0.165CC..EExtended strand (participates in β ladder)trans-137.6152.4179.9173.30000111.3S142 L154 D155 S156 T305S142-S301 WeakPolarHBondContact CB-OG 3.34Å; S142-S301 PolarHBondContact OG-OG 3.21Å; L154-S301 PolarHBondContact O-N 3.39Å; D155-S301 WeakPolarHBondContact CA-O 3.35Å; D155-S301 WeakPolarHBondContact OD1-CB 3.31Å; D155-S301 PolarHBondContact OD1-OG 3.34Å; S156-S301 PolarHBondContact N-O 3.25Å; S301-T305 WeakPolarHBondContact O-CG2 3.48Å; S301-T305 PolarHBondContact O-OG1 3.03Å
302G97.7Very high98.2Very high7 Ų730.5 Ų30.57%0.07218%0.183CC..SBendtrans90.4160.2172.800000114.4S156 S304 T305 R336S156-G302 CarbonylContact O-C 3.58Å; S156-G302 WeakPolarHBondContact O-CA 3.19Å; G302-S304 PolarHBondContact O-N 3.01Å; G302-T305 PolarHBondContact O-N 3.46Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 2.69Å; G302-R336 PolarHBondContact N-O 2.93Å
303G97.4Very high98.3Very high42 Ų4224.4 Ų24.443%0.43316%0.157SC..G310 helixtrans-63-34.6-170.300000114.5S156 T305 M306S156-G303 PolarHBondContact O-N 2.99Å; G303-T305 PolarHBondContact O-N 2.86Å; G303-M306 WeakPolarHBondContact O-CB 3.44Å; G303-M306 WeakPolarHBondContact O-CG 3.38Å; G303-M306 PolarHBondContact O-N 3.12Å
304S98.4Very high98.3Very high5 Ų521.4 Ų21.44%0.03514%0.141CC..G310 helixtrans-75.8-6.5179.1-63.90000112.9S156 G157 G183 G302 Y307S156-S304 WeakPolarHBondContact O-CB 3.33Å; S156-S304 PolarHBondContact O-N 3.47Å; S156-S304 VanDerWaalsContact OG-CB 3.27Å; S156-S304 WeakPolarHBondContact OG-CB 3.38Å; G157-S304 PolarHBondContact O-OG 3.39Å; G183-S304 VanDerWaalsContact CA-OG 3.24Å; G183-S304 WeakPolarHBondContact CA-OG 3.31Å; G183-S304 PolarHBondContact N-OG 3.43Å; G183-S304 VanDerWaalsContact N-OG 3.09Å; G302-S304 PolarHBondContact O-N 3.01Å; S304-Y307 WeakPolarHBondContact O-CD2 3.17Å; S304-Y307 WeakPolarHBondContact O-CE2 3.35Å
305T98.6Very high98.3Very high1 Ų124.2 Ų24.21%0.00615%0.154CC..G310 helixtrans-92.15167.774.90000113.1L300 S301 G302 G303 Y307 I310 R336L300-T305 HydrophobicContact CB-CG2 4.35Å; S301-T305 WeakPolarHBondContact O-CG2 3.48Å; S301-T305 PolarHBondContact O-OG1 3.03Å; G302-T305 PolarHBondContact O-N 3.46Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 2.69Å; G303-T305 PolarHBondContact O-N 2.86Å; T305-Y307 VanDerWaalsContact C-N 3.3Å; T305-Y307 PolarHBondContact O-N 3.31Å; T305-I310 VanDerWaalsContact O-CG2 3.28Å; T305-I310 WeakPolarHBondContact O-CG2 3.49Å; T305-R336 VanDerWaalsContact O-CZ 3.26Å; T305-R336 PolarHBondContact O-NE 3.22Å; T305-R336 PolarHBondContact O-NH2 3.27Å; T305-R336 WeakPolarHBondContact OG1-CD 3.45Å; T305-R336 PolarHBondContact OG1-NE 3.39Å
306M98.3Very high98.4Very high63 Ų6328 Ų2831%0.3117%0.17SC..  trans-80-8.1179.9-66.4-63.6-62.700113.9G303 R336 K337G303-M306 WeakPolarHBondContact O-CB 3.44Å; G303-M306 WeakPolarHBondContact O-CG 3.38Å; G303-M306 PolarHBondContact O-N 3.12Å; M306-R336 HydrophobicContact SD-CG 3.48Å; M306-R336 WeakPolarHBondContact SD-CG 3.43Å; M306-K337 HydrophobicContact CE-CG 4.47Å; M306-K337 HydrophobicContact CG-CB 4.02Å; M306-K337 HydrophobicContact SD-CB 4.02Å; M306-K337 HydrophobicContact SD-CG 4.28Å
307Y98.5Very high98.4Very high12 Ų1228.5 Ų28.55%0.04717%0.17CC..SBendtrans-57.3130.1178.3-66.1-62.8000111.7L186 K214 C218 V220 P259 L262 S304 T305 G309 I310L186-Y307 HydrophobicContact CD1-CE2 3.91Å; K214-Y307 VanDerWaalsContact CD-OH 3.31Å; K214-Y307 WeakPolarHBondContact CD-OH 3.24Å; K214-Y307 HydrophobicContact CG-CE1 4.33Å; K214-Y307 VanDerWaalsContact CG-OH 3.31Å; K214-Y307 WeakPolarHBondContact CG-OH 3.2Å; C218-Y307 HydrophobicContact CB-CD1 3.92Å; C218-Y307 HydrophobicContact CB-CE1 3.63Å; V220-Y307 HydrophobicContact CG2-CG 4.41Å; P259-Y307 HydrophobicContact CB-CD1 4.3Å; P259-Y307 HydrophobicContact CB-CD2 3.83Å; P259-Y307 HydrophobicContact CB-CE1 4.3Å; P259-Y307 HydrophobicContact CB-CE2 3.84Å; P259-Y307 HydrophobicContact CB-CG 4.08Å; L262-Y307 HydrophobicContact CD1-CD2 4.35Å; L262-Y307 HydrophobicContact CD1-CE2 4.19Å; S304-Y307 WeakPolarHBondContact O-CD2 3.17Å; S304-Y307 WeakPolarHBondContact O-CE2 3.35Å; T305-Y307 VanDerWaalsContact C-N 3.3Å; T305-Y307 PolarHBondContact O-N 3.31Å; Y307-G309 PolarHBondContact O-N 3.43Å; Y307-I310 WeakPolarHBondContact O-CG2 3.35Å; Y307-I310 PolarHBondContact O-N 3.47Å
308P98.5Very high98.4Very high84 Ų8427 Ų2755%0.54516%0.161SC..THydrogen-bonded Turntrans-54.8140.6168.6-24.234.1000110.8V220 I310V220-P308 PolarHBondContact N-O 3.26Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 3.39Å
309G98.5Very high98.4Very high29 Ų2929.7 Ų29.730%0.29918%0.18SC..THydrogen-bonded Turntrans82.3-10.6179.400000115.9Y307 A311 D312 R313Y307-G309 PolarHBondContact O-N 3.43Å; G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 3.12Å; G309-D312 PolarHBondContact O-N 3.14Å; G309-R313 PolarHBondContact O-N 3.15Å
310I98.8Very high98.4Very high1 Ų133.5 Ų33.51%0.00521%0.212CC..Hα-helixtrans-63.5-36.9-177.2-163.7175.8000112.7V220 F263 I275 L300 T305 Y307 P308 R313 M314V220-I310 HydrophobicContact CB-CB 4.3Å; V220-I310 HydrophobicContact CG2-CB 3.92Å; V220-I310 HydrophobicContact CG2-CG1 4.09Å; F263-I310 HydrophobicContact CE2-CG1 4.35Å; F263-I310 HydrophobicContact CZ-CG1 4.06Å; I275-I310 HydrophobicContact CD1-CD1 4.16Å; L300-I310 HydrophobicContact CD1-CG2 3.98Å; T305-I310 VanDerWaalsContact O-CG2 3.28Å; T305-I310 WeakPolarHBondContact O-CG2 3.49Å; Y307-I310 WeakPolarHBondContact O-CG2 3.35Å; Y307-I310 PolarHBondContact O-N 3.47Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 3.39Å; I310-R313 PolarHBondContact O-N 3.31Å; I310-M314 HydrophobicContact CG1-CG 4.35Å; I310-M314 VanDerWaalsContact O-CB 3.32Å; I310-M314 WeakPolarHBondContact O-CB 3.41Å; I310-M314 VanDerWaalsContact O-CG 3.25Å; I310-M314 WeakPolarHBondContact O-CG 3.43Å; I310-M314 PolarHBondContact O-N 2.96Å
311A98.6Very high98.3Very high26 Ų2636.5 Ų36.522%0.21523%0.228CC..Hα-helixtrans-65.6-42.5179.100000111.4L300 G309 M314 Q315 I330 A332L300-A311 HydrophobicContact CD1-CB 4.16Å; G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 3.12Å; A311-M314 PolarHBondContact O-N 3.41Å; A311-Q315 VanDerWaalsContact O-CB 3.3Å; A311-Q315 WeakPolarHBondContact O-CB 3.4Å; A311-Q315 PolarHBondContact O-N 3.4Å; A311-I330 HydrophobicContact CB-CG2 4.08Å; A311-A332 HydrophobicContact CB-CB 3.99Å
312D98.6Very high98.3Very high107 Ų10737 Ų3757%0.57223%0.232SC*.Hα-helixtrans-68-41.3178.1-58.9-55.2000111.5L222 G309 Q315 K316L222-D312 HydrophobicContact CD1-CB 4.31Å; G309-D312 PolarHBondContact O-N 3.14Å; D312-Q315 WeakPolarHBondContact O-CB 3.5Å; D312-Q315 PolarHBondContact O-N 3.27Å; D312-K316 PolarHBondContact O-N 3.44Å
313R98.7Very high98.1Very high11 Ų1139.3 Ų39.34%0.04225%0.246CC..Hα-helixtrans-62.5-48.4173.9-176.264176.5-72.1-9.6111.3V220 A221 L222 E260 F263 G309 I310 Q315 K316 E317V220-R313 HydrophobicContact CG1-CB 3.48Å; V220-R313 VanDerWaalsContact CG1-CB 3.48Å; V220-R313 HydrophobicContact CG1-CG 3.65Å; A221-R313 WeakPolarHBondContact O-CD 3.41Å; A221-R313 PolarHBondContact O-NH1 3.09Å; L222-R313 WeakPolarHBondContact O-CD 3.46Å; E260-R313 IonicContact OE1-CZ 3.09Å; E260-R313 IonicContact OE1-NH1 2.95Å; E260-R313 IonicContact OE1-NH2 3.01Å; E260-R313 PolarHBondContact OE1-NH2 3.11Å; E260-R313 IonicContact OE2-CZ 3.96Å; E260-R313 IonicContact OE2-NH1 3.24Å; E260-R313 PolarHBondContact OE2-NH1 3.3Å; E260-R313 IonicContact OE2-NH2 3.23Å; F263-R313 HydrophobicContact CD1-CG 4.03Å; F263-R313 HydrophobicContact CE1-CB 4.29Å; F263-R313 HydrophobicContact CE1-CG 3.48Å; F263-R313 VanDerWaalsContact CE1-CG 3.48Å; F263-R313 HydrophobicContact CE2-CG 4.11Å; F263-R313 HydrophobicContact CZ-CB 4.01Å; F263-R313 HydrophobicContact CZ-CG 3.52Å; G309-R313 PolarHBondContact O-N 3.15Å; I310-R313 PolarHBondContact O-N 3.31Å; R313-Q315 VanDerWaalsContact C-N 3.28Å; R313-Q315 PolarHBondContact O-N 2.67Å; R313-K316 PolarHBondContact O-N 2.88Å; R313-E317 HydrophobicContact CG-CG 4.33Å; R313-E317 IonicContact CZ-OE1 3.45Å; R313-E317 IonicContact NE-OE1 3.2Å; R313-E317 PolarHBondContact NE-OE1 3.14Å; R313-E317 IonicContact NH2-OE1 2.76Å; R313-E317 PolarHBondContact NH2-OE1 2.8Å; R313-E317 WeakPolarHBondContact O-CG 3.45Å; R313-E317 PolarHBondContact O-N 3.47Å
314M98.6Very high97.9Very high0 Ų043.4 Ų43.40%027%0.267CS..Hα-helixtrans-58.1-40.6175-76.7-65.1-65.300112.2L154 F263 I275 H276 I310 A311 I318 I330L154-M314 HydrophobicContact CD2-CE 3.61Å; L154-M314 HydrophobicContact CD2-SD 4.06Å; F263-M314 HydrophobicContact CE1-CG 4.28Å; F263-M314 HydrophobicContact CE1-SD 3.78Å; F263-M314 HydrophobicContact CZ-CG 4.23Å; F263-M314 HydrophobicContact CZ-SD 4.16Å; I275-M314 HydrophobicContact CD1-SD 3.82Å; I275-M314 HydrophobicContact CG1-SD 3.86Å; H276-M314 HydrophobicContact CB-CE 4.49Å; H276-M314 HydrophobicContact CB-SD 3.95Å; I310-M314 HydrophobicContact CG1-CG 4.35Å; I310-M314 VanDerWaalsContact O-CB 3.32Å; I310-M314 WeakPolarHBondContact O-CB 3.41Å; I310-M314 VanDerWaalsContact O-CG 3.25Å; I310-M314 WeakPolarHBondContact O-CG 3.43Å; I310-M314 PolarHBondContact O-N 2.96Å; A311-M314 PolarHBondContact O-N 3.41Å; M314-I318 HydrophobicContact CE-CD1 3.57Å; M314-I318 HydrophobicContact CE-CG1 4.3Å; M314-I318 WeakPolarHBondContact O-CB 3.27Å; M314-I318 WeakPolarHBondContact O-CG1 3.49Å; M314-I318 PolarHBondContact O-N 2.98Å; M314-I330 HydrophobicContact CB-CD1 4.26Å; M314-I330 HydrophobicContact CB-CG1 4.16Å; M314-I330 HydrophobicContact CB-CG2 4.45Å
315Q98.6Very high97.7Very high60 Ų6049 Ų4928%0.2830%0.302SS..Hα-helixtrans-61.3-48.4176.6-178.87059.100110.9A311 D312 R313 S319 I328 I330A311-Q315 VanDerWaalsContact O-CB 3.3Å; A311-Q315 WeakPolarHBondContact O-CB 3.4Å; A311-Q315 PolarHBondContact O-N 3.4Å; D312-Q315 WeakPolarHBondContact O-CB 3.5Å; D312-Q315 PolarHBondContact O-N 3.27Å; R313-Q315 VanDerWaalsContact C-N 3.28Å; R313-Q315 PolarHBondContact O-N 2.67Å; Q315-S319 PolarHBondContact NE2-OG 3.03Å; Q315-S319 VanDerWaalsContact O-CB 3.22Å; Q315-S319 WeakPolarHBondContact O-CB 3.47Å; Q315-S319 PolarHBondContact O-N 2.72Å; Q315-S319 VanDerWaalsContact O-N 3.09Å; Q315-S319 PolarHBondContact O-OG 3.01Å; Q315-I328 PolarHBondContact NE2-O 3.18Å; Q315-I328 PolarHBondContact OE1-O 2.93Å; Q315-I330 HydrophobicContact CB-CG1 3.78Å
316K98.5Very high97.5Very high80 Ų8051.2 Ų51.235%0.34831%0.313SS..Hα-helixtrans-57.4-54.7175.7176.2-177.2168.8-176.10111.3L222 D223 D312 R313 S319 A320L222-K316 HydrophobicContact CD1-CB 4.07Å; L222-K316 HydrophobicContact CD1-CD 3.81Å; L222-K316 HydrophobicContact CG-CD 4.13Å; L222-K316 WeakPolarHBondContact O-CD 3.28Å; L222-K316 PolarHBondContact O-NZ 3.48Å; D223-K316 IonicContact OD2-NZ 2.83Å; D223-K316 PolarHBondContact OD2-NZ 3.41Å; D312-K316 PolarHBondContact O-N 3.44Å; R313-K316 PolarHBondContact O-N 2.88Å; K316-S319 PolarHBondContact O-N 3.17Å; K316-A320 PolarHBondContact O-N 2.73Å; K316-A320 VanDerWaalsContact O-N 3.1Å
317E98.5Very high97.4Very high38 Ų3856 Ų5618%0.17833%0.331CS..Hα-helixtrans-67.2-45.2-172.7-62-5917300112.6F263 H276 R313 S319 A320 L321F263-E317 HydrophobicContact CD1-CG 4.37Å; F263-E317 HydrophobicContact CE1-CG 4.47Å; H276-E317 HydrophobicContact CB-CB 3.63Å; H276-E317 HydrophobicContact CB-CG 4.24Å; R313-E317 HydrophobicContact CG-CG 4.33Å; R313-E317 IonicContact CZ-OE1 3.45Å; R313-E317 IonicContact NE-OE1 3.2Å; R313-E317 PolarHBondContact NE-OE1 3.14Å; R313-E317 IonicContact NH2-OE1 2.76Å; R313-E317 PolarHBondContact NH2-OE1 2.8Å; R313-E317 WeakPolarHBondContact O-CG 3.45Å; R313-E317 PolarHBondContact O-N 3.47Å; E317-S319 VanDerWaalsContact C-N 3.28Å; E317-S319 PolarHBondContact O-N 3.22Å; E317-A320 PolarHBondContact O-N 2.89Å; E317-L321 WeakPolarHBondContact O-CG 3.18Å; E317-L321 PolarHBondContact O-N 3.29Å; E317-L321 VanDerWaalsContact O-N 3.12Å
318I98.3Very high97.4Very high0 Ų056.2 Ų56.20%033%0.334CS..Hα-helixtrans-65.4-35.5177.4-67.9177000110.7T279 Y295 T298 M314 A320 L321 A322 I328 I330T279-I318 HydrophobicContact CG2-CD1 3.86Å; Y295-I318 HydrophobicContact CD1-CG2 3.93Å; Y295-I318 HydrophobicContact CE1-CG2 3.93Å; T298-I318 HydrophobicContact CG2-CD1 4.26Å; M314-I318 HydrophobicContact CE-CD1 3.57Å; M314-I318 HydrophobicContact CE-CG1 4.3Å; M314-I318 WeakPolarHBondContact O-CB 3.27Å; M314-I318 WeakPolarHBondContact O-CG1 3.49Å; M314-I318 PolarHBondContact O-N 2.98Å; I318-A320 VanDerWaalsContact C-N 3.27Å; I318-A320 PolarHBondContact O-N 3.22Å; I318-L321 PolarHBondContact O-N 3.37Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 3.31Å; I318-I328 HydrophobicContact CB-CG2 4.01Å; I318-I328 HydrophobicContact CG2-CD1 4.05Å; I318-I328 HydrophobicContact CG2-CG1 4.17Å; I318-I328 HydrophobicContact CG2-CG2 3.58Å; I318-I330 HydrophobicContact CD1-CD1 3.98Å
319S97.8Very high97.4Very high57 Ų5756.8 Ų56.840%0.39933%0.327SS..Hα-helixtrans-67.8-27.9177.2-55.70000112.8Q315 K316 E317Q315-S319 PolarHBondContact NE2-OG 3.03Å; Q315-S319 VanDerWaalsContact O-CB 3.22Å; Q315-S319 WeakPolarHBondContact O-CB 3.47Å; Q315-S319 PolarHBondContact O-N 2.72Å; Q315-S319 VanDerWaalsContact O-N 3.09Å; Q315-S319 PolarHBondContact O-OG 3.01Å; K316-S319 PolarHBondContact O-N 3.17Å; E317-S319 VanDerWaalsContact C-N 3.28Å; E317-S319 PolarHBondContact O-N 3.22Å
320A97.9Very high97.4Very high81 Ų8156.5 Ų56.567%0.66932%0.319SS*.Hα-helixtrans-75.8-33.6174.100000112.7K316 E317 I318K316-A320 PolarHBondContact O-N 2.73Å; K316-A320 VanDerWaalsContact O-N 3.1Å; E317-A320 PolarHBondContact O-N 2.89Å; I318-A320 VanDerWaalsContact C-N 3.27Å; I318-A320 PolarHBondContact O-N 3.22Å
321L97.9Very high97.3Very high62 Ų6257.5 Ų57.533%0.32533%0.325SS..Hα-helixtrans-83.5-35.8180-66.1173.3000113.2E277 Y280 E317 I318E277-L321 HydrophobicContact CG-CD1 4.11Å; Y280-L321 HydrophobicContact CD2-CB 3.71Å; Y280-L321 HydrophobicContact CE2-CB 4.07Å; Y280-L321 VanDerWaalsContact CE2-O 3.28Å; Y280-L321 WeakPolarHBondContact CE2-O 2.92Å; Y280-L321 HydrophobicContact CG-CB 3.95Å; Y280-L321 HydrophobicContact CG-CD1 4.13Å; E317-L321 WeakPolarHBondContact O-CG 3.18Å; E317-L321 PolarHBondContact O-N 3.29Å; E317-L321 VanDerWaalsContact O-N 3.12Å; I318-L321 PolarHBondContact O-N 3.37Å
322A96.6Very high97.3Very high10 Ų1058 Ų588%0.08333%0.329CS..SBendtrans-76.1154.9-174.900000112.6Y295 I318 S324 I328Y295-A322 HydrophobicContact CD1-CB 4.2Å; Y295-A322 HydrophobicContact CE1-CB 3.64Å; Y295-A322 HydrophobicContact CE2-CB 4.27Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 3.31Å; A322-S324 PolarHBondContact O-N 3.08Å; A322-I328 HydrophobicContact CB-CD1 3.64Å; A322-I328 HydrophobicContact CB-CG1 4.3Å
323P94.9Very high97.2Very high57 Ų5753.6 Ų53.637%0.3731%0.306SS..  trans-56.4138.9171.5-22.832.7000111.7T325 M326P323-T325 PolarHBondContact O-N 3.22Å; P323-M326 HydrophobicContact CB-CG 4.16Å; P323-M326 HydrophobicContact CG-CG 4.3Å; P323-M326 WeakPolarHBondContact O-CB 3.3Å; P323-M326 PolarHBondContact O-N 3.18Å
324S93.7Very high97.1Very high127 Ų12757.9 Ų57.989%0.88834%0.336SS*.THydrogen-bonded Turntrans-61.3-15.9-175.557.70000115.2A322 M326A322-S324 PolarHBondContact O-N 3.08Å; S324-M326 VanDerWaalsContact C-N 3.34Å
325T93.6Very high97Very high123 Ų12361.8 Ų61.876%0.75535%0.354SS*.THydrogen-bonded Turntrans-80.4-13.3174.453.70000113.5P323P323-T325 PolarHBondContact O-N 3.22Å
326M94.6Very high96.9Very high48 Ų4860.3 Ų60.324%0.23635%0.346CS..SBendtrans-84.3133.2-178.5-63.5-63.2176.300111K292 Y295 P323 S324 I328K292-M326 HydrophobicContact CB-SD 4.05Å; K292-M326 HydrophobicContact CG-SD 4.4Å; Y295-M326 HydrophobicContact CD2-CB 3.96Å; Y295-M326 HydrophobicContact CD2-CG 3.71Å; Y295-M326 HydrophobicContact CD2-SD 4Å; Y295-M326 HydrophobicContact CE2-CB 4.49Å; Y295-M326 HydrophobicContact CE2-CG 3.97Å; Y295-M326 HydrophobicContact CG-CB 4.37Å; P323-M326 HydrophobicContact CB-CG 4.16Å; P323-M326 HydrophobicContact CG-CG 4.3Å; P323-M326 WeakPolarHBondContact O-CB 3.3Å; P323-M326 PolarHBondContact O-N 3.18Å; S324-M326 VanDerWaalsContact C-N 3.34Å; M326-I328 HydrophobicContact CB-CD1 3.94Å; M326-I328 PolarHBondContact O-N 3.19Å
327K95.9Very high96.9Very high162 Ų16260.6 Ų60.670%0.70435%0.347SS*.  trans-86.9110170.3-177.3178.1179.8176.90109.2S296S296-K327 WeakPolarHBondContact CA-O 3.39Å
328I98Very high96.8Very high18 Ų1861.7 Ų61.79%0.09235%0.35CS..  trans-87130178-48.6-46.8000109.3Y295 Q315 I318 A322 M326 I330Y295-I328 HydrophobicContact CD1-CD1 3.46Å; Y295-I328 VanDerWaalsContact CD1-CD1 3.46Å; Y295-I328 HydrophobicContact CD2-CD1 4.45Å; Y295-I328 HydrophobicContact CE1-CD1 4.19Å; Y295-I328 HydrophobicContact CG-CD1 3.62Å; Y295-I328 WeakPolarHBondContact O-CA 3.48Å; Q315-I328 PolarHBondContact NE2-O 3.18Å; Q315-I328 PolarHBondContact OE1-O 2.93Å; I318-I328 HydrophobicContact CB-CG2 4.01Å; I318-I328 HydrophobicContact CG2-CD1 4.05Å; I318-I328 HydrophobicContact CG2-CG1 4.17Å; I318-I328 HydrophobicContact CG2-CG2 3.58Å; A322-I328 HydrophobicContact CB-CD1 3.64Å; A322-I328 HydrophobicContact CB-CG1 4.3Å; M326-I328 HydrophobicContact CB-CD1 3.94Å; M326-I328 PolarHBondContact O-N 3.19Å; I328-I330 HydrophobicContact CG2-CD1 4.2Å
329K98.2Very high96.8Very high96 Ų9661.7 Ų61.742%0.41735%0.35SS..  trans-138.2115.2173.9176.7-177.9178.4-178.70110.2Y295 S296 T298 V331Y295-K329 PolarHBondContact O-N 3Å; S296-K329 WeakPolarHBondContact O-CB 3.44Å; T298-K329 PolarHBondContact N-O 3.38Å; T298-K329 VanDerWaalsContact N-O 3.15Å; K329-V331 HydrophobicContact CD-CG2 4.42Å; K329-V331 HydrophobicContact CG-CG2 4.23Å
330I98.5Very high96.8Very high23 Ų2359.4 Ų59.412%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-88131.2170.7-48.8-51.9000109.4T298 L300 A311 M314 Q315 I318 I328T298-I330 HydrophobicContact CG2-CD1 3.74Å; T298-I330 CarbonylContact O-C 3.51Å; T298-I330 WeakPolarHBondContact O-CA 3.43Å; L300-I330 HydrophobicContact CD1-CG2 3.84Å; L300-I330 HydrophobicContact CD2-CG2 4.05Å; L300-I330 HydrophobicContact CG-CG2 3.76Å; A311-I330 HydrophobicContact CB-CG2 4.08Å; M314-I330 HydrophobicContact CB-CD1 4.26Å; M314-I330 HydrophobicContact CB-CG1 4.16Å; M314-I330 HydrophobicContact CB-CG2 4.45Å; Q315-I330 HydrophobicContact CB-CG1 3.78Å; I318-I330 HydrophobicContact CD1-CD1 3.98Å; I328-I330 HydrophobicContact CG2-CD1 4.2Å
331V98.1Very high96.9Very high21 Ų2155.6 Ų55.613%0.12730%0.302CS..EExtended strand (participates in β ladder)trans-115.7115177.7-177.70000107.8T298 V299 L300 K329 P333T298-V331 PolarHBondContact O-N 3.29Å; V299-V331 WeakPolarHBondContact CA-O 3.41Å; V299-V331 HydrophobicContact CG2-CB 4.17Å; L300-V331 PolarHBondContact N-O 3.44Å; K329-V331 HydrophobicContact CD-CG2 4.42Å; K329-V331 HydrophobicContact CG-CG2 4.23Å; V331-P333 HydrophobicContact CG1-CG 4.43Å; V331-P333 WeakPolarHBondContact O-CD 3.24Å
332A97.9Very high96.9Very high37 Ų3753.8 Ų53.831%0.30629%0.292SS..  trans-122.186.1179.800000109.7L300 A311L300-A332 HydrophobicContact CB-CB 4.4Å; L300-A332 HydrophobicContact CD1-CB 4Å; L300-A332 HydrophobicContact CG-CB 4.37Å; A311-A332 HydrophobicContact CB-CB 3.99Å
333P97Very high96.9Very high14 Ų1453.3 Ų53.39%0.09129%0.289CS..  trans-55.2141.2176.6-22.633000111V331 E335 R336V331-P333 HydrophobicContact CG1-CG 4.43Å; V331-P333 WeakPolarHBondContact O-CD 3.24Å; P333-E335 VanDerWaalsContact C-N 3.25Å; P333-E335 WeakPolarHBondContact CB-OE1 3.36Å; P333-E335 PolarHBondContact O-N 3.4Å; P333-R336 HydrophobicContact CB-CB 4.16Å; P333-R336 HydrophobicContact CG-CB 4.43Å; P333-R336 WeakPolarHBondContact O-CB 3.25Å; P333-R336 VanDerWaalsContact O-CD 3.31Å; P333-R336 WeakPolarHBondContact O-CD 3.46Å; P333-R336 WeakPolarHBondContact O-CG 3.29Å; P333-R336 PolarHBondContact O-N 3.4Å; P333-R336 VanDerWaalsContact O-N 3.13Å; P333-R336 PolarHBondContact O-NH1 3.13Å
334P96.6Very high97.1Very high102 Ų10250.6 Ų50.666%0.66227%0.271SS*.THydrogen-bonded Turntrans-63.4-33.8-17815.5-19.4000112.4R336P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 3.28Å
335E95.6Very high97.2Very high82 Ų8244.7 Ų44.738%0.38323%0.23SC..THydrogen-bonded Turntrans-87.914.6176.468-69156.500114P333 K337 Y338 I342P333-E335 VanDerWaalsContact C-N 3.25Å; P333-E335 WeakPolarHBondContact CB-OE1 3.36Å; P333-E335 PolarHBondContact O-N 3.4Å; E335-K337 PolarHBondContact O-N 2.98Å; E335-Y338 WeakPolarHBondContact O-CA 3.14Å; E335-Y338 PolarHBondContact O-N 2.86Å; E335-I342 HydrophobicContact CB-CD1 4.22Å; E335-I342 HydrophobicContact CG-CD1 3.47Å; E335-I342 VanDerWaalsContact CG-CD1 3.47Å
336R97.3Very high97.4Very high28 Ų2841.8 Ų41.811%0.10621%0.209CC..G310 helixtrans-58.4-17.3-171.366.8-170.6172.3-78.31.6117.2L300 G302 T305 M306 P333 P334 Y338 S339L300-R336 WeakPolarHBondContact O-CB 3.41Å; G302-R336 PolarHBondContact N-O 2.93Å; T305-R336 VanDerWaalsContact O-CZ 3.26Å; T305-R336 PolarHBondContact O-NE 3.22Å; T305-R336 PolarHBondContact O-NH2 3.27Å; T305-R336 WeakPolarHBondContact OG1-CD 3.45Å; T305-R336 PolarHBondContact OG1-NE 3.39Å; M306-R336 HydrophobicContact SD-CG 3.48Å; M306-R336 WeakPolarHBondContact SD-CG 3.43Å; P333-R336 HydrophobicContact CB-CB 4.16Å; P333-R336 HydrophobicContact CG-CB 4.43Å; P333-R336 WeakPolarHBondContact O-CB 3.25Å; P333-R336 VanDerWaalsContact O-CD 3.31Å; P333-R336 WeakPolarHBondContact O-CD 3.46Å; P333-R336 WeakPolarHBondContact O-CG 3.29Å; P333-R336 PolarHBondContact O-N 3.4Å; P333-R336 VanDerWaalsContact O-N 3.13Å; P333-R336 PolarHBondContact O-NH1 3.13Å; P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 3.28Å; R336-Y338 PolarHBondContact O-N 2.85Å; R336-S339 VanDerWaalsContact CA-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.37Å; R336-S339 PolarHBondContact O-N 3.47Å
337K97Very high97.4Very high86 Ų8641.1 Ų41.137%0.37421%0.206SC..G310 helixtrans-62.4-19.3167.458.7170174.8166.40113.5K19 M306 E335K19-K337 VanDerWaalsContact CE-O 3.22Å; K19-K337 WeakPolarHBondContact CE-O 3.39Å; M306-K337 HydrophobicContact CE-CG 4.47Å; M306-K337 HydrophobicContact CG-CB 4.02Å; M306-K337 HydrophobicContact SD-CB 4.02Å; M306-K337 HydrophobicContact SD-CG 4.28Å; E335-K337 PolarHBondContact O-N 2.98Å
338Y97.8Very high97.4Very high61 Ų6133.5 Ų33.524%0.23917%0.173CC..G310 helixtrans-116.52.8179.7-52.1-37.7000113K19 P28 V31 E335 R336 V340 W341 I342K19-Y338 HydrophobicContact CD-CD1 3.78Å; K19-Y338 HydrophobicContact CD-CE1 4.37Å; P28-Y338 HydrophobicContact CG-CD1 4.4Å; P28-Y338 HydrophobicContact CG-CG 4.47Å; V31-Y338 HydrophobicContact CG2-CE1 4.25Å; E335-Y338 WeakPolarHBondContact O-CA 3.14Å; E335-Y338 PolarHBondContact O-N 2.86Å; R336-Y338 PolarHBondContact O-N 2.85Å; Y338-V340 PolarHBondContact O-N 2.64Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; Y338-W341 PolarHBondContact O-N 3.14Å; Y338-I342 WeakPolarHBondContact O-CG1 3.32Å; Y338-I342 PolarHBondContact O-N 3.38Å
339S98.1Very high97.2Very high1 Ų135.7 Ų35.71%0.00719%0.19CC..Hα-helixtrans-52.5-40.9-176-80.70000113.4A145 R336 W341 I342 G343A145-S339 VanDerWaalsContact CB-O 3.24Å; A145-S339 WeakPolarHBondContact CB-O 3.42Å; R336-S339 VanDerWaalsContact CA-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.37Å; R336-S339 PolarHBondContact O-N 3.47Å; S339-W341 PolarHBondContact O-N 3.1Å; S339-I342 PolarHBondContact O-N 3.28Å; S339-G343 PolarHBondContact O-N 3.31Å
340V98.3Very high96.9Very high9 Ų933.4 Ų33.46%0.05518%0.182CC..Hα-helixtrans-56.8-51.8177175.70000111.1D12 T107 Q138 L141 S142 Y338 G343 G344D12-V340 HydrophobicContact CB-CG1 4.24Å; D12-V340 VanDerWaalsContact OD1-CG1 3.28Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.43Å; T107-V340 HydrophobicContact CG2-CG1 3.78Å; Q138-V340 HydrophobicContact CB-CG1 3.92Å; Q138-V340 HydrophobicContact CB-CG2 3.97Å; Q138-V340 HydrophobicContact CG-CG1 3.81Å; Q138-V340 HydrophobicContact CG-CG2 4.49Å; L141-V340 WeakPolarHBondContact CB-O 3.36Å; L141-V340 HydrophobicContact CD1-CG1 4.31Å; S142-V340 WeakPolarHBondContact OG-CA 3.41Å; S142-V340 WeakPolarHBondContact OG-CG2 3.45Å; S142-V340 PolarHBondContact OG-N 3.49Å; Y338-V340 PolarHBondContact O-N 2.64Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; V340-G343 PolarHBondContact O-N 3.17Å; V340-G344 PolarHBondContact O-N 3.38Å
341W98.6Very high96.5Very high0 Ų037.2 Ų37.20%021%0.211CC..Hα-helixtrans-67.2-42.3-178.1-175.891.2000111.2V10 D12 K19 D25 A27 P28 Y338 S339 G343 G344 S345V10-W341 HydrophobicContact CB-CZ2 4.48Å; V10-W341 HydrophobicContact CG1-CG 4.28Å; V10-W341 PolarHBondContact O-NE1 3.06Å; D12-W341 HydrophobicContact CB-CB 4.18Å; K19-W341 HydrophobicContact CB-CB 4.43Å; K19-W341 HydrophobicContact CB-CG 4.36Å; D25-W341 HydrophobicContact CB-CH2 3.91Å; D25-W341 WeakPolarHBondContact O-CH2 3.43Å; D25-W341 WeakPolarHBondContact O-CZ3 3.34Å; A27-W341 VanDerWaalsContact C-CH2 3.44Å; A27-W341 VanDerWaalsContact O-CH2 3.31Å; A27-W341 WeakPolarHBondContact O-CH2 3.43Å; P28-W341 HydrophobicContact CB-CD2 3.75Å; P28-W341 HydrophobicContact CB-CE3 4.21Å; P28-W341 HydrophobicContact CB-CG 4.02Å; P28-W341 HydrophobicContact CB-CZ2 4.42Å; P28-W341 HydrophobicContact CG-CD2 4.3Å; P28-W341 HydrophobicContact CG-CE3 4.4Å; Y338-W341 PolarHBondContact O-N 3.14Å; S339-W341 PolarHBondContact O-N 3.1Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.46Å; W341-G344 CarbonylContact O-C 3.59Å; W341-G344 PolarHBondContact O-N 2.87Å; W341-G344 VanDerWaalsContact O-N 3.14Å; W341-S345 PolarHBondContact O-N 3.46Å
342I98.1Very high96.2Very high25 Ų2541.4 Ų41.413%0.12824%0.237CC..Hα-helixtrans-59.6-44.2176.5-67.1168000110.3A145 E335 Y338 S339 G344 S345 I346A145-I342 HydrophobicContact CB-CB 4.17Å; A145-I342 HydrophobicContact CB-CG2 3.95Å; E335-I342 HydrophobicContact CB-CD1 4.22Å; E335-I342 HydrophobicContact CG-CD1 3.47Å; E335-I342 VanDerWaalsContact CG-CD1 3.47Å; Y338-I342 WeakPolarHBondContact O-CG1 3.32Å; Y338-I342 PolarHBondContact O-N 3.38Å; S339-I342 PolarHBondContact O-N 3.28Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 2.93Å; I342-S345 WeakPolarHBondContact O-CB 3.31Å; I342-S345 PolarHBondContact O-N 3.01Å; I342-I346 HydrophobicContact CG2-CD1 3.89Å; I342-I346 HydrophobicContact CG2-CG1 4.44Å; I342-I346 VanDerWaalsContact O-CG1 3.32Å; I342-I346 WeakPolarHBondContact O-CG1 3.28Å; I342-I346 PolarHBondContact O-N 3.08Å
343G97.7Very high95.8Very high0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-61.1-40.8176.300000112.6L141 S339 V340 W341 L347L141-G343 VanDerWaalsContact O-CA 3.31Å; L141-G343 WeakPolarHBondContact O-CA 3.27Å; S339-G343 PolarHBondContact O-N 3.31Å; V340-G343 PolarHBondContact O-N 3.17Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.46Å; G343-L347 VanDerWaalsContact O-CB 3.24Å; G343-L347 WeakPolarHBondContact O-CB 3.32Å; G343-L347 PolarHBondContact O-N 2.83Å
344G97.7Very high95.4Very high0 Ų043.8 Ų43.80%024%0.24CC..Hα-helixtrans-63.8-41.8172.900000112.8V340 W341 I342 L347 A348V340-G344 PolarHBondContact O-N 3.38Å; W341-G344 CarbonylContact O-C 3.59Å; W341-G344 PolarHBondContact O-N 2.87Å; W341-G344 VanDerWaalsContact O-N 3.14Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 2.93Å; G344-L347 PolarHBondContact O-N 2.81Å; G344-A348 VanDerWaalsContact O-CB 3.24Å; G344-A348 WeakPolarHBondContact O-CB 3.41Å; G344-A348 PolarHBondContact O-N 2.97Å
345S97.7Very high95.1Very high3 Ų347 Ų472%0.02125%0.247CC..Hα-helixtrans-60.3-49176.8-179.10000111.5G24 D25 W341 I342 S349G24-S345 PolarHBondContact N-OG 3.02Å; D25-S345 PolarHBondContact N-OG 3.25Å; D25-S345 PolarHBondContact O-OG 3.31Å; W341-S345 PolarHBondContact O-N 3.46Å; I342-S345 WeakPolarHBondContact O-CB 3.31Å; I342-S345 PolarHBondContact O-N 3.01Å; S345-S349 WeakPolarHBondContact O-CB 3.35Å; S345-S349 PolarHBondContact O-N 2.86Å; S345-S349 VanDerWaalsContact O-N 3.17Å; S345-S349 PolarHBondContact O-OG 3.39Å
346I96.1Very high95Very high61 Ų6146.5 Ų46.531%0.31325%0.245SC..Hα-helixtrans-62.7-52.1177-60.4166.3000109.5Y144 I342 A348 S349 L350Y144-I346 HydrophobicContact CD1-CB 4.33Å; Y144-I346 HydrophobicContact CD1-CG2 4.21Å; Y144-I346 HydrophobicContact CE1-CB 4.06Å; Y144-I346 HydrophobicContact CE1-CG2 3.53Å; I342-I346 HydrophobicContact CG2-CD1 3.89Å; I342-I346 HydrophobicContact CG2-CG1 4.44Å; I342-I346 VanDerWaalsContact O-CG1 3.32Å; I342-I346 WeakPolarHBondContact O-CG1 3.28Å; I342-I346 PolarHBondContact O-N 3.08Å; I346-A348 PolarHBondContact O-N 3.18Å; I346-S349 PolarHBondContact O-N 3.38Å; I346-S349 VanDerWaalsContact O-N 3.14Å; I346-S349 PolarHBondContact O-OG 3.05Å; I346-L350 WeakPolarHBondContact O-CG 3.28Å; I346-L350 PolarHBondContact O-N 3.25Å
347L95.3Very high95Very high34 Ų3446 Ų4618%0.17824%0.243CC..Hα-helixtrans-57.5-48.4-176.7-178.164.9000112.3L105 L141 Y144 G343 G344 S349 L350 F353L105-L347 HydrophobicContact CD1-CD2 4.22Å; L141-L347 HydrophobicContact CD2-CB 4.39Å; L141-L347 HydrophobicContact CD2-CD2 3.64Å; Y144-L347 HydrophobicContact CD1-CB 4.29Å; Y144-L347 HydrophobicContact CE1-CB 4.23Å; Y144-L347 HydrophobicContact CE1-CD1 4.46Å; G343-L347 VanDerWaalsContact O-CB 3.24Å; G343-L347 WeakPolarHBondContact O-CB 3.32Å; G343-L347 PolarHBondContact O-N 2.83Å; G344-L347 PolarHBondContact O-N 2.81Å; L347-S349 PolarHBondContact O-N 3.15Å; L347-L350 HydrophobicContact CD1-CD1 4.15Å; L347-L350 PolarHBondContact O-N 3.18Å; L347-F353 HydrophobicContact CD1-CD2 3.58Å; L347-F353 HydrophobicContact CD1-CE2 3.97Å; L347-F353 HydrophobicContact CD1-CG 4.22Å; L347-F353 HydrophobicContact CD2-CD2 4.2Å; L347-F353 HydrophobicContact CD2-CE2 3.71Å; L347-F353 HydrophobicContact CD2-CZ 4.14Å; L347-F353 HydrophobicContact CG-CD2 3.64Å; L347-F353 HydrophobicContact CG-CE2 3.65Å; L347-F353 HydrophobicContact CG-CG 4.12Å; L347-F353 HydrophobicContact CG-CZ 4.14Å; L347-F353 WeakPolarHBondContact O-CB 3.47Å; L347-F353 WeakPolarHBondContact O-CG 3.4Å
348A95.8Very high95.1Very high3 Ų341.9 Ų41.93%0.02523%0.225CC..Hα-helixtrans-68.5-22.3-17900000113.5A8 V10 A23 L105 G344 I346 Q354 W357A8-A348 HydrophobicContact CB-CB 4.16Å; V10-A348 HydrophobicContact CG2-CB 4.21Å; A23-A348 HydrophobicContact CB-CB 3.62Å; L105-A348 HydrophobicContact CD1-CB 4.17Å; G344-A348 VanDerWaalsContact O-CB 3.24Å; G344-A348 WeakPolarHBondContact O-CB 3.41Å; G344-A348 PolarHBondContact O-N 2.97Å; I346-A348 PolarHBondContact O-N 3.18Å; A348-Q354 PolarHBondContact O-NE2 3.49Å; A348-W357 HydrophobicContact CB-CH2 4.26Å; A348-W357 HydrophobicContact CB-CZ2 4.14Å
349S94Very high95.1Very high63 Ų6340.8 Ų40.844%0.44123%0.226SC..Hα-helixtrans-81.6-10.217573.40000114.5S345 I346 L347S345-S349 WeakPolarHBondContact O-CB 3.35Å; S345-S349 PolarHBondContact O-N 2.86Å; S345-S349 VanDerWaalsContact O-N 3.17Å; S345-S349 PolarHBondContact O-OG 3.39Å; I346-S349 PolarHBondContact O-N 3.38Å; I346-S349 VanDerWaalsContact O-N 3.14Å; I346-S349 PolarHBondContact O-OG 3.05Å; L347-S349 PolarHBondContact O-N 3.15Å
350L92.8Very high95Very high49 Ų4944.1 Ų44.126%0.25724%0.241SC..  trans-73.7134.8-179.5-57.3174.7000110.8Y144 I346 L347 T352 F353 Q354Y144-L350 HydrophobicContact CE1-CD1 4.27Å; Y144-L350 WeakPolarHBondContact OH-CD1 3.1Å; I346-L350 WeakPolarHBondContact O-CG 3.28Å; I346-L350 PolarHBondContact O-N 3.25Å; L347-L350 HydrophobicContact CD1-CD1 4.15Å; L347-L350 PolarHBondContact O-N 3.18Å; L350-T352 VanDerWaalsContact C-N 3.25Å; L350-T352 PolarHBondContact O-N 3.49Å; L350-F353 HydrophobicContact CB-CB 3.97Å; L350-F353 WeakPolarHBondContact O-CB 3.45Å; L350-F353 PolarHBondContact O-N 3.13Å; L350-F353 VanDerWaalsContact O-N 3.13Å; L350-Q354 PolarHBondContact O-NE2 3.49Å; L350-Q354 VanDerWaalsContact O-NE2 3.12Å
351S90.1Very high95Very high103 Ų10349.9 Ų49.972%0.7227%0.267SS*.G310 helixtrans-62.5-33.8172.856.30000112.4F353 Q354S351-F353 VanDerWaalsContact C-N 3.27Å; S351-F353 PolarHBondContact O-N 2.98Å; S351-Q354 WeakPolarHBondContact O-CG 3.34Å; S351-Q354 PolarHBondContact O-N 2.9Å
352T89.8Confident95Very high108 Ų10852.3 Ų52.366%0.66328%0.278SS*.G310 helixtrans-70-23176.450.80000113.1L350 Q354L350-T352 VanDerWaalsContact C-N 3.25Å; L350-T352 PolarHBondContact O-N 3.49Å; T352-Q354 VanDerWaalsContact C-N 3.32Å
353F91.1Very high95Very high9 Ų951.7 Ų51.74%0.03927%0.274CS..G310 helixtrans-77.4-18.3178.7-174.2-103000112.7L105 Y134 L347 L350 S351 Q355 M356 W357L105-F353 HydrophobicContact CD1-CE1 4.26Å; L105-F353 HydrophobicContact CD1-CZ 4.1Å; Y134-F353 HydrophobicContact CD1-CE2 4.19Å; Y134-F353 AromaticContact CD1-CZ 3.65Å; Y134-F353 HydrophobicContact CD1-CZ 3.65Å; Y134-F353 HydrophobicContact CD2-CE2 4.41Å; Y134-F353 AromaticContact CD2-CZ 3.98Å; Y134-F353 HydrophobicContact CD2-CZ 3.98Å; Y134-F353 HydrophobicContact CE1-CE2 4.15Å; Y134-F353 HydrophobicContact CE1-CZ 4.09Å; Y134-F353 HydrophobicContact CE2-CE2 4.38Å; Y134-F353 HydrophobicContact CE2-CZ 4.39Å; Y134-F353 HydrophobicContact CG-CE2 4.32Å; Y134-F353 AromaticContact CG-CZ 3.59Å; Y134-F353 HydrophobicContact CG-CZ 3.59Å; L347-F353 HydrophobicContact CD1-CD2 3.58Å; L347-F353 HydrophobicContact CD1-CE2 3.97Å; L347-F353 HydrophobicContact CD1-CG 4.22Å; L347-F353 HydrophobicContact CD2-CD2 4.2Å; L347-F353 HydrophobicContact CD2-CE2 3.71Å; L347-F353 HydrophobicContact CD2-CZ 4.14Å; L347-F353 HydrophobicContact CG-CD2 3.64Å; L347-F353 HydrophobicContact CG-CE2 3.65Å; L347-F353 HydrophobicContact CG-CG 4.12Å; L347-F353 HydrophobicContact CG-CZ 4.14Å; L347-F353 WeakPolarHBondContact O-CB 3.47Å; L347-F353 WeakPolarHBondContact O-CG 3.4Å; L350-F353 HydrophobicContact CB-CB 3.97Å; L350-F353 WeakPolarHBondContact O-CB 3.45Å; L350-F353 PolarHBondContact O-N 3.13Å; L350-F353 VanDerWaalsContact O-N 3.13Å; S351-F353 VanDerWaalsContact C-N 3.27Å; S351-F353 PolarHBondContact O-N 2.98Å; F353-Q355 PolarHBondContact O-N 2.99Å; F353-M356 HydrophobicContact CD2-CB 3.9Å; F353-M356 HydrophobicContact CD2-CG 4.02Å; F353-M356 HydrophobicContact CE2-CB 3.82Å; F353-M356 HydrophobicContact CE2-CG 4.3Å; F353-M356 HydrophobicContact CG-CB 4.46Å; F353-M356 HydrophobicContact CZ-CB 4.34Å; F353-M356 VanDerWaalsContact O-CB 3.31Å; F353-M356 WeakPolarHBondContact O-CB 3.45Å; F353-M356 PolarHBondContact O-N 2.89Å; F353-W357 AromaticContact CD1-CE2 3.9Å; F353-W357 AromaticContact CD1-CZ2 3.97Å; F353-W357 HydrophobicContact CD1-CZ2 3.97Å; F353-W357 AromaticContact CE1-CD2 3.98Å; F353-W357 HydrophobicContact CE1-CD2 3.98Å; F353-W357 AromaticContact CE1-CE2 3.65Å; F353-W357 HydrophobicContact CE1-CE3 4.21Å; F353-W357 AromaticContact CE1-CH2 3.87Å; F353-W357 HydrophobicContact CE1-CH2 3.87Å; F353-W357 AromaticContact CE1-CZ2 3.6Å; F353-W357 HydrophobicContact CE1-CZ2 3.6Å; F353-W357 HydrophobicContact CE1-CZ3 4.16Å
354Q88.6Confident95Very high93 Ų9357 Ų5744%0.43530%0.303SS..G310 helixtrans-60.7-21.8-175.6-57.3-51.1-42.300113.9A348 L350 S351 T352A348-Q354 PolarHBondContact O-NE2 3.49Å; L350-Q354 PolarHBondContact O-NE2 3.49Å; L350-Q354 VanDerWaalsContact O-NE2 3.12Å; S351-Q354 WeakPolarHBondContact O-CG 3.34Å; S351-Q354 PolarHBondContact O-N 2.9Å; T352-Q354 VanDerWaalsContact C-N 3.32Å
355Q90.2Very high95Very high170 Ų17063.4 Ų63.479%0.79433%0.333SS*.G310 helixtrans-82.4-11.9176-61.3-178.6-0.800113.8F353F353-Q355 PolarHBondContact O-N 2.99Å
356M93.9Very high95Very high71 Ų7165.3 Ų65.335%0.3535%0.346SS..THydrogen-bonded Turntrans-87.9-20.6-175.7-63.9-58.3-61.100113.1Y134 F353Y134-M356 HydrophobicContact CD2-CB 4.39Å; Y134-M356 WeakPolarHBondContact CD2-O 3.17Å; Y134-M356 HydrophobicContact CE2-CB 4.13Å; Y134-M356 HydrophobicContact CE2-CE 4.38Å; F353-M356 HydrophobicContact CD2-CB 3.9Å; F353-M356 HydrophobicContact CD2-CG 4.02Å; F353-M356 HydrophobicContact CE2-CB 3.82Å; F353-M356 HydrophobicContact CE2-CG 4.3Å; F353-M356 HydrophobicContact CG-CB 4.46Å; F353-M356 HydrophobicContact CZ-CB 4.34Å; F353-M356 VanDerWaalsContact O-CB 3.31Å; F353-M356 WeakPolarHBondContact O-CB 3.45Å; F353-M356 PolarHBondContact O-N 2.89Å
357W96.8Very high95.1Very high17 Ų1763.4 Ų63.46%0.06434%0.341CS..SBendtrans-53.5143.6177.5-67120.3000111.7A8 P103 L105 A132 M133 A348 F353A8-W357 HydrophobicContact CB-CH2 3.88Å; A8-W357 HydrophobicContact CB-CZ2 3.69Å; P103-W357 HydrophobicContact CB-CD2 4.42Å; P103-W357 HydrophobicContact CB-CE3 4.49Å; P103-W357 HydrophobicContact CB-CH2 4.17Å; P103-W357 HydrophobicContact CB-CZ2 4.08Å; P103-W357 HydrophobicContact CB-CZ3 4.39Å; L105-W357 HydrophobicContact CB-CH2 3.89Å; L105-W357 HydrophobicContact CB-CZ3 4.12Å; A132-W357 HydrophobicContact CB-CB 4.08Å; A132-W357 HydrophobicContact CB-CG 4.41Å; M133-W357 VanDerWaalsContact C-CE3 3.41Å; A348-W357 HydrophobicContact CB-CH2 4.26Å; A348-W357 HydrophobicContact CB-CZ2 4.14Å; F353-W357 AromaticContact CD1-CE2 3.9Å; F353-W357 AromaticContact CD1-CZ2 3.97Å; F353-W357 HydrophobicContact CD1-CZ2 3.97Å; F353-W357 AromaticContact CE1-CD2 3.98Å; F353-W357 HydrophobicContact CE1-CD2 3.98Å; F353-W357 AromaticContact CE1-CE2 3.65Å; F353-W357 HydrophobicContact CE1-CE3 4.21Å; F353-W357 AromaticContact CE1-CH2 3.87Å; F353-W357 HydrophobicContact CE1-CH2 3.87Å; F353-W357 AromaticContact CE1-CZ2 3.6Å; F353-W357 HydrophobicContact CE1-CZ2 3.6Å; F353-W357 HydrophobicContact CE1-CZ3 4.16Å
358I98Very high95.2Very high0 Ų063.4 Ų63.40%034%0.344CS..EExtended strand (participates in β ladder)trans-85.4115.6162.5-58.6163.3000105.4F125 A132 M133 E362 I370 V371 K374F125-I358 HydrophobicContact CE2-CG2 3.92Å; F125-I358 HydrophobicContact CZ-CB 4.41Å; F125-I358 HydrophobicContact CZ-CG2 3.93Å; F125-I358 WeakPolarHBondContact CZ-O 3.03Å; A132-I358 CarbonylContact C-O 3.51Å; A132-I358 WeakPolarHBondContact CA-O 3.47Å; A132-I358 WeakPolarHBondContact CB-O 3.42Å; M133-I358 HydrophobicContact CG-CB 4.48Å; M133-I358 PolarHBondContact N-O 3.25Å; M133-I358 WeakPolarHBondContact O-CB 3.32Å; M133-I358 PolarHBondContact O-N 2.91Å; I358-E362 HydrophobicContact CG2-CB 4.46Å; I358-I370 HydrophobicContact CD1-CG2 4.38Å; I358-I370 HydrophobicContact CG2-CG1 4.14Å; I358-I370 HydrophobicContact CG2-CG2 3.63Å; I358-V371 HydrophobicContact CD1-CB 4.18Å; I358-V371 HydrophobicContact CD1-CG2 4.23Å; I358-K374 HydrophobicContact CD1-CB 4.13Å; I358-K374 HydrophobicContact CG1-CB 3.7Å; I358-K374 HydrophobicContact CG1-CG 4.04Å
359S97.6Very high95.2Very high38 Ų3865.6 Ų65.627%0.26636%0.358SS..EExtended strand (participates in β ladder)trans-80.2157.7174.6620000111.6Q361 E362 Y363S359-Q361 PolarHBondContact O-N 3.36Å; S359-E362 PolarHBondContact N-OE2 3.03Å; S359-E362 PolarHBondContact O-N 3.04Å; S359-E362 VanDerWaalsContact O-N 3.13Å; S359-E362 VanDerWaalsContact OG-CG 3.29Å; S359-E362 WeakPolarHBondContact OG-CG 3.5Å; S359-E362 PolarHBondContact OG-N 2.94Å; S359-E362 PolarHBondContact OG-OE2 3.42Å; S359-Y363 PolarHBondContact O-N 3.18Å
360K97.7Very high95.4Very high71 Ų7163.1 Ų63.131%0.30934%0.34SS..Hα-helixtrans-55.5-36.9172.1-174.6166.6-175.2162.80112.5F125 N129 P131 Y363 D364F125-K360 HydrophobicContact CD1-CB 4.05Å; F125-K360 HydrophobicContact CD1-CG 4.17Å; F125-K360 VanDerWaalsContact CE1-CA 3.45Å; F125-K360 HydrophobicContact CE1-CB 3.91Å; N129-K360 PolarHBondContact OD1-NZ 3.27Å; N129-K360 VanDerWaalsContact OD1-NZ 3.1Å; P131-K360 PolarHBondContact O-N 3.13Å; K360-Y363 WeakPolarHBondContact O-CB 3.09Å; K360-Y363 PolarHBondContact O-N 3.04Å; K360-D364 VanDerWaalsContact O-CG 3.23Å; K360-D364 PolarHBondContact O-N 3.22Å
361Q97.6Very high95.6Very high130 Ų13060.8 Ų60.861%0.60733%0.328SS*.Hα-helixtrans-62.1-47.6175.2-176.2-175.4-12.600112.1S359 Y363 D364 E365S359-Q361 PolarHBondContact O-N 3.36Å; Q361-Y363 VanDerWaalsContact C-N 3.25Å; Q361-Y363 PolarHBondContact O-N 2.68Å; Q361-D364 PolarHBondContact O-N 3.44Å; Q361-E365 PolarHBondContact NE2-OE1 2.92Å; Q361-E365 WeakPolarHBondContact O-CG 3.44Å; Q361-E365 PolarHBondContact O-N 3.13Å; Q361-E365 VanDerWaalsContact O-N 3.08Å
362E97.9Very high95.9Very high50 Ų5058 Ų5823%0.23430%0.303CS..Hα-helixtrans-62.9-35.2177.7-73.2167.5120.400111.9I358 S359 S366 I370 K374I358-E362 HydrophobicContact CG2-CB 4.46Å; S359-E362 PolarHBondContact N-OE2 3.03Å; S359-E362 PolarHBondContact O-N 3.04Å; S359-E362 VanDerWaalsContact O-N 3.13Å; S359-E362 VanDerWaalsContact OG-CG 3.29Å; S359-E362 WeakPolarHBondContact OG-CG 3.5Å; S359-E362 PolarHBondContact OG-N 2.94Å; S359-E362 PolarHBondContact OG-OE2 3.42Å; E362-S366 WeakPolarHBondContact O-CB 3.06Å; E362-S366 PolarHBondContact O-N 3.38Å; E362-I370 HydrophobicContact CB-CG1 4.44Å; E362-K374 WeakPolarHBondContact OE1-CE 3.42Å; E362-K374 IonicContact OE1-NZ 2.68Å; E362-K374 PolarHBondContact OE1-NZ 3.29Å; E362-K374 IonicContact OE2-NZ 3.8Å
363Y98.2Very high96.1Very high12 Ų1260.8 Ų60.85%0.04730%0.302CS..Hα-helixtrans-63.7-49172.2176.1-96.7000112.1T121 F125 E126 S359 K360 Q361 E365 S366 G367 P368T121-Y363 HydrophobicContact CG2-CD2 3.86Å; T121-Y363 HydrophobicContact CG2-CE2 4.02Å; F125-Y363 HydrophobicContact CB-CD1 3.63Å; F125-Y363 HydrophobicContact CB-CD2 4.28Å; F125-Y363 HydrophobicContact CB-CE1 3.71Å; F125-Y363 HydrophobicContact CB-CE2 4.31Å; F125-Y363 HydrophobicContact CB-CG 3.94Å; F125-Y363 HydrophobicContact CD1-CG 4.4Å; F125-Y363 AromaticContact CD2-CD1 3.98Å; F125-Y363 HydrophobicContact CD2-CD1 3.98Å; F125-Y363 AromaticContact CD2-CD2 3.3Å; F125-Y363 HydrophobicContact CD2-CD2 3.3Å; F125-Y363 AromaticContact CD2-CE2 3.9Å; F125-Y363 HydrophobicContact CD2-CE2 3.9Å; F125-Y363 AromaticContact CD2-CG 3.33Å; F125-Y363 HydrophobicContact CD2-CG 3.33Å; F125-Y363 AromaticContact CE2-CD2 3.84Å; F125-Y363 HydrophobicContact CE2-CD2 3.84Å; F125-Y363 AromaticContact CE2-CG 3.84Å; F125-Y363 HydrophobicContact CE2-CG 3.84Å; F125-Y363 AromaticContact CG-CD1 3.82Å; F125-Y363 HydrophobicContact CG-CD1 3.82Å; F125-Y363 HydrophobicContact CG-CD2 4.02Å; F125-Y363 HydrophobicContact CG-CE1 4.35Å; F125-Y363 HydrophobicContact CG-CE2 4.49Å; F125-Y363 AromaticContact CG-CG 3.64Å; F125-Y363 HydrophobicContact CG-CG 3.64Å; E126-Y363 HydrophobicContact CG-CE1 4.12Å; E126-Y363 PolarHBondContact OE1-OH 3.02Å; S359-Y363 PolarHBondContact O-N 3.18Å; K360-Y363 WeakPolarHBondContact O-CB 3.09Å; K360-Y363 PolarHBondContact O-N 3.04Å; Q361-Y363 VanDerWaalsContact C-N 3.25Å; Q361-Y363 PolarHBondContact O-N 2.68Å; Y363-E365 PolarHBondContact O-N 2.88Å; Y363-S366 PolarHBondContact O-N 3.13Å; Y363-G367 WeakPolarHBondContact O-CA 3.36Å; Y363-G367 PolarHBondContact O-N 2.86Å; Y363-P368 HydrophobicContact CE2-CB 4.3Å; Y363-P368 HydrophobicContact CE2-CG 3.84Å
364D98Very high96.2Very high111 Ų11162.7 Ų62.759%0.59431%0.31SS*.Hα-helixtrans-60.6-31.6179.9-68.4-23.4000111.8K360 Q361K360-D364 VanDerWaalsContact O-CG 3.23Å; K360-D364 PolarHBondContact O-N 3.22Å; Q361-D364 PolarHBondContact O-N 3.44Å
365E97.7Very high96.3Very high136 Ų13658.5 Ų58.564%0.63629%0.291SS*.Hα-helixtrans-79.3-38178-70.8175.6-166.500114Q361 Y363Q361-E365 PolarHBondContact NE2-OE1 2.92Å; Q361-E365 WeakPolarHBondContact O-CG 3.44Å; Q361-E365 PolarHBondContact O-N 3.13Å; Q361-E365 VanDerWaalsContact O-N 3.08Å; Y363-E365 PolarHBondContact O-N 2.88Å
366S97.4Very high95.9Very high42 Ų4258.4 Ų58.429%0.29429%0.288SS..Hα-helixtrans-114.5-7.4-170.1-67.20000114.9E362 Y363 S369E362-S366 WeakPolarHBondContact O-CB 3.06Å; E362-S366 PolarHBondContact O-N 3.38Å; Y363-S366 PolarHBondContact O-N 3.13Å; S366-S369 PolarHBondContact O-OG 3.01Å; S366-S369 VanDerWaalsContact O-OG 3.13Å
367G97.7Very high96.1Very high21 Ų2157.8 Ų57.822%0.21629%0.285CS..G310 helixtrans60.7-166.9-170.700000113.6Y363 S369 I370Y363-G367 WeakPolarHBondContact O-CA 3.36Å; Y363-G367 PolarHBondContact O-N 2.86Å; G367-S369 PolarHBondContact O-N 3.31Å; G367-I370 VanDerWaalsContact O-CG2 3.24Å; G367-I370 WeakPolarHBondContact O-CG2 3.18Å; G367-I370 PolarHBondContact O-N 2.89Å
368P97.4Very high96Very high35 Ų3559.9 Ų59.923%0.22730%0.297CS..G310 helixtrans-56.1-25.2-177-27.834.2000115.7E118 Q122 Y363 I370 V371E118-P368 HydrophobicContact CB-CB 3.81Å; E118-P368 HydrophobicContact CG-CB 4.16Å; Q122-P368 HydrophobicContact CB-CG 4.02Å; Q122-P368 HydrophobicContact CG-CG 4.38Å; Y363-P368 HydrophobicContact CE2-CB 4.3Å; Y363-P368 HydrophobicContact CE2-CG 3.84Å; P368-I370 PolarHBondContact O-N 2.93Å; P368-I370 VanDerWaalsContact O-N 3.17Å; P368-V371 VanDerWaalsContact O-CG1 3.3Å; P368-V371 WeakPolarHBondContact O-CG1 3.48Å; P368-V371 PolarHBondContact O-N 3.11Å
369S97.4Very high95.9Very high48 Ų4863.2 Ų63.234%0.33631%0.313SS..G310 helixtrans-66.6-14.9-177.174.60000114.3S366 G367 V371 H372S366-S369 PolarHBondContact O-OG 3.01Å; S366-S369 VanDerWaalsContact O-OG 3.13Å; G367-S369 PolarHBondContact O-N 3.31Å; S369-V371 PolarHBondContact O-N 3.3Å; S369-H372 PolarHBondContact O-CD2 3.23Å; S369-H372 PolarHBondContact O-N 2.86Å
370I97.5Very high95.8Very high12 Ų1264.7 Ų64.76%0.06232%0.316CS..G310 helixtrans-56.1-30.6177.1-170.757.4000112.7T121 I358 E362 G367 P368 H372 R373 K374T121-I370 HydrophobicContact CG2-CG2 4.46Å; I358-I370 HydrophobicContact CD1-CG2 4.38Å; I358-I370 HydrophobicContact CG2-CG1 4.14Å; I358-I370 HydrophobicContact CG2-CG2 3.63Å; E362-I370 HydrophobicContact CB-CG1 4.44Å; G367-I370 VanDerWaalsContact O-CG2 3.24Å; G367-I370 WeakPolarHBondContact O-CG2 3.18Å; G367-I370 PolarHBondContact O-N 2.89Å; P368-I370 PolarHBondContact O-N 2.93Å; P368-I370 VanDerWaalsContact O-N 3.17Å; I370-H372 PolarHBondContact O-N 2.85Å; I370-R373 HydrophobicContact CD1-CB 4.44Å; I370-R373 WeakPolarHBondContact O-CB 3.39Å; I370-R373 PolarHBondContact O-N 3.19Å; I370-K374 HydrophobicContact CD1-CG 4.39Å; I370-K374 HydrophobicContact CG1-CG 4.4Å; I370-K374 PolarHBondContact O-N 3.09Å
371V97.3Very high95.7Very high0 Ų064.3 Ų64.30%032%0.317CS..Hα-helixtrans-56.2-35.1179.771.30000112.5R117 E118 T121 V135 I358 P368 S369 R373 K374 C375R117-V371 HydrophobicContact CB-CG1 3.88Å; R117-V371 HydrophobicContact CB-CG2 4.42Å; E118-V371 HydrophobicContact CG-CG1 4.45Å; T121-V371 WeakPolarHBondContact OG1-CB 3.2Å; V135-V371 HydrophobicContact CB-CG2 4.33Å; V135-V371 HydrophobicContact CG2-CG2 4.07Å; I358-V371 HydrophobicContact CD1-CB 4.18Å; I358-V371 HydrophobicContact CD1-CG2 4.23Å; P368-V371 VanDerWaalsContact O-CG1 3.3Å; P368-V371 WeakPolarHBondContact O-CG1 3.48Å; P368-V371 PolarHBondContact O-N 3.11Å; S369-V371 PolarHBondContact O-N 3.3Å; V371-R373 PolarHBondContact O-N 3.01Å; V371-K374 PolarHBondContact O-N 3.44Å; V371-C375 HydrophobicContact CG2-CB 4.09Å; V371-C375 WeakPolarHBondContact O-CB 3.34Å; V371-C375 PolarHBondContact O-N 3.18Å
372H95.8Very high95.5Very high43 Ų4359.9 Ų59.920%0.19930%0.297CS..Hα-helixtrans-74-13.4179.6-54.2-54.1000113.9K114 E118 S369 I370K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 2.99Å; K114-H372 PolarHBondContact O-CE1 3.31Å; E118-H372 WeakPolarHBondContact CG-NE2 3.4Å; E118-H372 IonicContact OE1-CD2 3.48Å; E118-H372 PolarHBondContact OE1-CD2 3.46Å; E118-H372 IonicContact OE1-CE1 3.85Å; E118-H372 IonicContact OE1-NE2 2.73Å; E118-H372 PolarHBondContact OE1-NE2 3.44Å; S369-H372 PolarHBondContact O-CD2 3.23Å; S369-H372 PolarHBondContact O-N 2.86Å; I370-H372 PolarHBondContact O-N 2.85Å
373R93.6Very high95.4Very high167 Ų16760.6 Ų60.663%0.6330%0.302SS*.Hα-helixtrans-97-24.3178.1-62.1-177.2-177.6167.92.5112.7I370 V371 F376I370-R373 HydrophobicContact CD1-CB 4.44Å; I370-R373 WeakPolarHBondContact O-CB 3.39Å; I370-R373 PolarHBondContact O-N 3.19Å; V371-R373 PolarHBondContact O-N 3.01Å; R373-F376 WeakPolarHBondContact O-CE2 3.45Å; R373-F376 WeakPolarHBondContact O-CZ 3.29Å
374K93.2Very high95.2Very high49 Ų4964.4 Ų64.421%0.21332%0.321CS..Hα-helixtrans-108.9-32.3-172.8-76.8-81.6-168.5137.80113.2Y134 I358 E362 I370 V371Y134-K374 WeakPolarHBondContact CE2-O 3.36Å; I358-K374 HydrophobicContact CD1-CB 4.13Å; I358-K374 HydrophobicContact CG1-CB 3.7Å; I358-K374 HydrophobicContact CG1-CG 4.04Å; E362-K374 WeakPolarHBondContact OE1-CE 3.42Å; E362-K374 IonicContact OE1-NZ 2.68Å; E362-K374 PolarHBondContact OE1-NZ 3.29Å; E362-K374 IonicContact OE2-NZ 3.8Å; I370-K374 HydrophobicContact CD1-CG 4.39Å; I370-K374 HydrophobicContact CG1-CG 4.4Å; I370-K374 PolarHBondContact O-N 3.09Å; V371-K374 PolarHBondContact O-N 3.44Å
375C92Very high94.9Very high5 Ų560.5 Ų60.53%0.03430%0.299CS..  trans-108.9109.3-177.8-57.10000109.8Y134 V135 V371Y134-C375 VanDerWaalsContact CD2-SG 3.5Å; Y134-C375 HydrophobicContact CE2-CB 4.31Å; Y134-C375 VanDerWaalsContact CE2-SG 3.53Å; V135-C375 HydrophobicContact CB-CB 4.44Å; V135-C375 PolarHBondContact N-SG 3.32Å; V135-C375 VanDerWaalsContact N-SG 3.4Å; V135-C375 WeakPolarHBondContact O-CB 3.33Å; V371-C375 HydrophobicContact CG2-CB 4.09Å; V371-C375 WeakPolarHBondContact O-CB 3.34Å; V371-C375 PolarHBondContact O-N 3.18Å
376F82.3Confident94.7Very high168 Ų16853.6 Ų53.674%0.73727%0.268SS*.  trans-101.90-176.5-63.5-76.5000113.2R373R373-F376 WeakPolarHBondContact O-CE2 3.45Å; R373-F376 WeakPolarHBondContact O-CZ 3.29Å

Retrieved 376 of 376 residues in 169.2 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).